1t7i.pdb

很多二维 三维几何计算算法 C++ 类库

ANISOU   38  CD1 LEU A   5     2236   2206   1549     32    625   -218       C  
ATOM     39  CD2 LEU A   5      19.344  27.817  27.770  1.00 17.00           C  
ANISOU   39  CD2 LEU A   5     2220   2196   2043     18     58   -371       C  
ATOM     40  N   TRP A   6      17.082  31.313  31.261  1.00 19.06           N  
ANISOU   40  N   TRP A   6     2831   2521   1889    301    295   -283       N  
ATOM     41  CA  TRP A   6      16.459  32.635  31.484  1.00 19.72           C  
ANISOU   41  CA  TRP A   6     2664   2568   2258    171    128   -284       C  
ATOM     42  C   TRP A   6      17.367  33.753  30.905  1.00 21.19           C  
ANISOU   42  C   TRP A   6     2859   2750   2442    163    172   -205       C  
ATOM     43  O   TRP A   6      16.884  34.758  30.443  1.00 23.09           O  
ANISOU   43  O   TRP A   6     3168   2730   2872    301    289    -81       O  
ATOM     44  CB  TRP A   6      16.113  32.854  32.999  1.00 21.91           C  
ANISOU   44  CB  TRP A   6     3094   2782   2445    265    218   -549       C  
ATOM     45  CG  TRP A   6      14.787  32.108  33.409  1.00 21.66           C  
ANISOU   45  CG  TRP A   6     3421   2779   2029     66    130   -361       C  
ATOM     46  CD1 TRP A   6      13.497  32.477  33.080  1.00 21.86           C  
ANISOU   46  CD1 TRP A   6     2887   3060   2359    -55    432   -255       C  
ATOM     47  CD2 TRP A   6      14.673  30.849  34.085  1.00 21.43           C  
ANISOU   47  CD2 TRP A   6     3093   2592   2457     80    339   -712       C  
ATOM     48  NE1 TRP A   6      12.596  31.530  33.530  1.00 28.10           N  
ANISOU   48  NE1 TRP A   6     3581   3614   3479   -181    194   -102       N  
ATOM     49  CE2 TRP A   6      13.287  30.520  34.145  1.00 21.98           C  
ANISOU   49  CE2 TRP A   6     2976   3086   2286     -9    435   -275       C  
ATOM     50  CE3 TRP A   6      15.591  29.966  34.648  1.00 23.21           C  
ANISOU   50  CE3 TRP A   6     3319   3081   2419    -96      4   -462       C  
ATOM     51  CZ2 TRP A   6      12.818  29.339  34.745  1.00 25.37           C  
ANISOU   51  CZ2 TRP A   6     3275   3436   2927     48     81     57       C  
ATOM     52  CZ3 TRP A   6      15.116  28.784  35.259  1.00 25.67           C  
ANISOU   52  CZ3 TRP A   6     3491   3262   2998    277    232   -132       C  
ATOM     53  CH2 TRP A   6      13.752  28.489  35.298  1.00 26.02           C  
ANISOU   53  CH2 TRP A   6     3512   3559   2814     50    -73    -32       C  
ATOM     54  N   LYS A   7      18.665  33.445  30.778  1.00 20.84           N  
ANISOU   54  N   LYS A   7     2806   2839   2273    193    188   -252       N  
ATOM     55  CA  LYS A   7      19.619  34.270  30.093  1.00 20.92           C  
ANISOU   55  CA  LYS A   7     2976   2577   2396     97     71   -370       C  
ATOM     56  C   LYS A   7      20.223  33.479  28.889  1.00 18.10           C  
ANISOU   56  C   LYS A   7     2482   2341   2052     76    -82   -321       C  
ATOM     57  O   LYS A   7      20.192  32.304  28.876  1.00 18.52           O  
ANISOU   57  O   LYS A   7     2843   2505   1687    123    -32   -284       O  
ATOM     58  CB  LYS A   7      20.754  34.685  31.075  1.00 22.60           C  
ANISOU   58  CB  LYS A   7     3198   2932   2456    -10     82   -457       C  
ATOM     59  CG  LYS A   7      20.281  35.347  32.360  1.00 28.22           C  
ANISOU   59  CG  LYS A   7     3936   3689   3097    116    151   -244       C  
ATOM     60  CD  LYS A   7      21.363  36.229  32.945  1.00 35.86           C  
ANISOU   60  CD  LYS A   7     4513   4608   4503   -150    -93    -96       C  
ATOM     61  CE  LYS A   7      22.510  35.410  33.529  1.00 39.34           C  
ANISOU   61  CE  LYS A   7     5023   4825   5099     44    -36     26       C  
ATOM     62  NZ  LYS A   7      23.480  34.997  32.495  1.00 41.93           N  
ANISOU   62  NZ  LYS A   7     5295   5357   5279    -36    125    -58       N  
ATOM     63  N  AARG A   8      20.861  34.176  27.979  0.50 16.85           N  
ANISOU   63  N  AARG A   8     2355   2020   2027    135    -56   -252       N  
ATOM     64  N  BARG A   8      20.851  34.186  27.964  0.50 16.99           N  
ANISOU   64  N  BARG A   8     2370   2029   2054    132    -61   -251       N  
ATOM     65  CA AARG A   8      21.579  33.495  26.893  0.50 16.40           C  
ANISOU   65  CA AARG A   8     2258   2128   1846     58    -34   -145       C  
ATOM     66  CA BARG A   8      21.611  33.516  26.882  0.50 16.61           C  
ANISOU   66  CA BARG A   8     2276   2142   1893     70    -43   -144       C  
ATOM     67  C  AARG A   8      22.664  32.621  27.481  0.50 15.67           C  
ANISOU   67  C  AARG A   8     2150   2057   1746    113    -16   -148       C  
ATOM     68  C  BARG A   8      22.659  32.614  27.496  0.50 15.71           C  
ANISOU   68  C  BARG A   8     2147   2058   1763    114     -7   -151       C  
ATOM     69  O  AARG A   8      23.402  33.048  28.374  0.50 16.72           O  
ANISOU   69  O  AARG A   8     2364   2289   1698    114   -112   -291       O  
ATOM     70  O  BARG A   8      23.379  33.023  28.408  0.50 16.61           O  
ANISOU   70  O  BARG A   8     2355   2304   1652    122    -81   -276       O  
ATOM     71  CB AARG A   8      22.208  34.490  25.924  0.50 16.55           C  
ANISOU   71  CB AARG A   8     2349   2051   1885    -24     47   -290       C  
ATOM     72  CB BARG A   8      22.313  34.535  25.966  0.50 16.92           C  
ANISOU   72  CB BARG A   8     2415   2038   1974     -9     20   -308       C  
ATOM     73  CG AARG A   8      21.233  35.321  25.166  0.50 18.30           C  
ANISOU   73  CG AARG A   8     2497   2187   2266    -60    -32   -121       C  
ATOM     74  CG BARG A   8      21.435  35.158  24.898  0.50 19.01           C  
ANISOU   74  CG BARG A   8     2482   2218   2522     79    -26    -89       C  
ATOM     75  CD AARG A   8      21.879  36.423  24.372  0.50 19.75           C  
ANISOU   75  CD AARG A   8     2434   2555   2516   -133    114    -41       C  
ATOM     76  CD BARG A   8      22.204  35.985  23.886  0.50 20.15           C  
ANISOU   76  CD BARG A   8     2476   2472   2708     73     97   -125       C  
ATOM     77  NE AARG A   8      20.979  36.997  23.385  0.50 19.26           N  
ANISOU   77  NE AARG A   8     2457   2358   2503     70    300   -131       N  
ATOM     78  NE BARG A   8      21.588  35.975  22.553  0.50 22.88           N  
ANISOU   78  NE BARG A   8     3177   2658   2858    -99     24   -186       N  
ATOM     79  CZ AARG A   8      21.249  38.086  22.686  0.50 22.42           C  
ANISOU   79  CZ AARG A   8     3137   2635   2744   -187   -133    -34       C  
ATOM     80  CZ BARG A   8      22.273  36.133  21.399  0.50 24.13           C  
ANISOU   80  CZ BARG A   8     3347   2809   3010     15    -54    -37       C  
ATOM     81  NH1AARG A   8      20.396  38.515  21.774  0.50 22.23           N  
ANISOU   81  NH1AARG A   8     2874   2601   2971     43     61    465       N  
ATOM     82  NH1BARG A   8      21.644  36.136  20.267  0.50 22.38           N  
ANISOU   82  NH1BARG A   8     3638   2388   2478    -37    146   -118       N  
ATOM     83  NH2AARG A   8      22.357  38.772  22.920  0.50 23.27           N  
ANISOU   83  NH2AARG A   8     2781   3013   3044    -87     69    101       N  
ATOM     84  NH2BARG A   8      23.566  36.237  21.409  0.50 24.76           N  
ANISOU   84  NH2BARG A   8     3452   2835   3118    107    229    -34       N  
ATOM     85  N   PRO A   9      22.798  31.397  26.978  1.00 15.95           N  
ANISOU   85  N   PRO A   9     2291   2096   1673     60      0   -209       N  
ATOM     86  CA  PRO A   9      23.874  30.462  27.438  1.00 16.15           C  
ANISOU   86  CA  PRO A   9     2244   2144   1748     48     59   -204       C  
ATOM     87  C   PRO A   9      25.225  30.770  26.813  1.00 14.67           C  
ANISOU   87  C   PRO A   9     1970   1962   1640    197    -72    -95       C  
ATOM     88  O   PRO A   9      25.762  30.010  25.984  1.00 15.62           O  
ANISOU   88  O   PRO A   9     2179   2233   1522    123   -207   -301       O  
ATOM     89  CB  PRO A   9      23.358  29.069  27.013  1.00 15.48           C  
ANISOU   89  CB  PRO A   9     1973   2049   1857    129     16   -246       C  
ATOM     90  CG  PRO A   9      22.494  29.327  25.821  1.00 14.57           C  
ANISOU   90  CG  PRO A   9     2178   1937   1419   -187     32   -316       C  
ATOM     91  CD  PRO A   9      21.835  30.724  26.098  1.00 15.10           C  
ANISOU   91  CD  PRO A   9     2130   2085   1520     79    -32   -139       C  
ATOM     92  N   LEU A  10      25.806  31.898  27.257  1.00 17.07           N  
ANISOU   92  N   LEU A  10     2204   2232   2048   -152     89   -318       N  
ATOM     93  CA  LEU A  10      27.092  32.348  26.812  1.00 17.96           C  
ANISOU   93  CA  LEU A  10     2238   2440   2146    -53    -13   -284       C  
ATOM     94  C   LEU A  10      28.156  31.760  27.732  1.00 19.17           C  
ANISOU   94  C   LEU A  10     2446   2841   1993   -151   -231   -284       C  
ATOM     95  O   LEU A  10      28.027  31.812  28.979  1.00 22.70           O  
ANISOU   95  O   LEU A  10     2783   3980   1861    -83   -103   -420       O  
ATOM     96  CB  LEU A  10      27.161  33.882  26.864  1.00 21.25           C  
ANISOU   96  CB  LEU A  10     2813   2686   2576   -196    116   -330       C  
ATOM     97  CG  LEU A  10      26.245  34.574  25.887  1.00 23.04           C  
ANISOU   97  CG  LEU A  10     2985   2666   3102    -79    308     99       C  
ATOM     98  CD1 LEU A  10      26.088  36.042  26.210  1.00 24.85           C  
ANISOU   98  CD1 LEU A  10     3284   2732   3424    133    164    -48       C  
ATOM     99  CD2 LEU A  10      26.752  34.439  24.482  1.00 23.10           C  
ANISOU   99  CD2 LEU A  10     3072   2904   2800    135   -241    -80       C  
ATOM    100  N   VAL A  11      29.238  31.277  27.127  1.00 17.52           N  
ANISOU  100  N   VAL A  11     2200   2701   1754   -135   -290   -209       N  
ATOM    101  CA  VAL A  11      30.311  30.675  27.829  1.00 17.67           C  
ANISOU  101  CA  VAL A  11     2169   2603   1940     25   -268    -35       C  
ATOM    102  C   VAL A  11      31.618  31.116  27.225  1.00 15.68           C  
ANISOU  102  C   VAL A  11     2104   2286   1567    -75   -473     64       C  
ATOM    103  O   VAL A  11      31.680  31.622  26.114  1.00 15.96           O  
ANISOU  103  O   VAL A  11     2199   2195   1669   -150   -231    362       O  
ATOM    104  CB  VAL A  11      30.243  29.178  27.813  1.00 19.65           C  
ANISOU  104  CB  VAL A  11     2250   2860   2354     37   -390    206       C  
ATOM    105  CG1 VAL A  11      28.939  28.698  28.409  1.00 23.47           C  
ANISOU  105  CG1 VAL A  11     2627   3186   3103   -288   -199    218       C  
ATOM    106  CG2 VAL A  11      30.460  28.628  26.435  1.00 20.67           C  
ANISOU  106  CG2 VAL A  11     2505   2428   2918     45    -34     74       C  
ATOM    107  N   THR A  12      32.670  31.029  28.010  1.00 16.47           N  
ANISOU  107  N   THR A  12     2247   2380   1630   -141   -456     36       N  
ATOM    108  CA  THR A  12      33.952  31.357  27.541  1.00 16.54           C  
ANISOU  108  CA  THR A  12     2261   2259   1764    -85   -486     83       C  
ATOM    109  C   THR A  12      34.551  30.148  26.838  1.00 16.59           C  
ANISOU  109  C   THR A  12     2041   2337   1924   -100   -524    142       C  
ATOM    110  O   THR A  12      34.514  29.012  27.392  1.00 18.68           O  
ANISOU  110  O   THR A  12     2593   2253   2249   -112   -459    261       O  
ATOM    111  CB  THR A  12      34.846  31.844  28.769  1.00 18.46           C  
ANISOU  111  CB  THR A  12     2451   2583   1977     37   -453     23       C  
ATOM    112  OG1 THR A  12      34.269  33.036  29.332  1.00 20.73           O  
ANISOU  112  OG1 THR A  12     2736   2624   2514    -80   -718   -155       O  
ATOM    113  CG2 THR A  12      36.191  32.236  28.310  1.00 20.41           C  
ANISOU  113  CG2 THR A  12     2714   2721   2318   -159   -419    107       C  
ATOM    114  N   ILE A  13      35.177  30.388  25.688  1.00 15.99           N  
ANISOU  114  N   ILE A  13     2067   1772   2236   -148   -313    315       N  
ATOM    115  CA  ILE A  13      35.901  29.418  24.999  1.00 15.46           C  
ANISOU  115  CA  ILE A  13     1853   2053   1966   -196   -321    149       C  
ATOM    116  C   ILE A  13      37.356  29.868  24.827  1.00 17.12           C  
ANISOU  116  C   ILE A  13     1982   2190   2334   -233   -345    133       C  
ATOM    117  O   ILE A  13      37.650  31.063  24.827  1.00 17.58           O  
ANISOU  117  O   ILE A  13     2057   2017   2605   -258   -565    353       O  
ATOM    118  CB  ILE A  13      35.261  29.103  23.619  1.00 15.77           C  
ANISOU  118  CB  ILE A  13     2062   1777   2153    -29   -142     34       C  
ATOM    119  CG1 ILE A  13      35.390  30.325  22.657  1.00 15.94           C