USER MOD reduce.3.24.130724 H: found=0, std=0, add=868, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 871 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 18 SER OG : rot -84:sc= 0.342 USER MOD Set 1.2: A 40 TYR OH : rot 35:sc= -0.477 USER MOD Set 1.3: A 71 THR OG1 : rot -115:sc= -1.86! USER MOD Set 2.1: A 3 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 2 THR OG1 : rot 29:sc= 0.126 USER MOD Single : A 9 ASN :FLIP amide:sc= -0.0114 F(o=-0.95,f=-0.011) USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 19 GLN : amide:sc= -0.485 X(o=-0.48,f=0) USER MOD Single : A 20 SER OG : rot 74:sc= 1.26 USER MOD Single : A 26 GLN : amide:sc= -0.422 X(o=-0.42,f=-0.49) USER MOD Single : A 35 GLN : amide:sc= -0.346 X(o=-0.35,f=-0.044) USER MOD Single : A 36 GLN :FLIP amide:sc= 0 F(o=-0.54,f=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN :FLIP amide:sc= 0 F(o=-0.66,f=0) USER MOD Single : A 43 SER OG : rot 120:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl -153:sc= -1.11 (180deg=-3.19!) USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.0414 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0.139 K(o=0.14,f=-2) USER MOD Single : A 63 MET CE :methyl 171:sc= -1.18 (180deg=-1.51) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN : amide:sc= -0.404 X(o=-0.4,f=0) USER MOD Single : A 74 ASN : amide:sc= -2.11! C(o=-2.1!,f=-4.6!) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 LYS NZ :NH3+ -140:sc= 1.31 (180deg=0.43) USER MOD Single : A 83 GLN : amide:sc= 0.0315 X(o=0.032,f=-0.037) USER MOD Single : A 84 GLN : amide:sc= -0.515 K(o=-0.51,f=-7.9!) USER MOD Single : A 90 SER OG : rot 80:sc= 0.633 USER MOD Single : A1001 MET CE :methyl 159:sc= -0.235 (180deg=-0.8) USER MOD Single : A1002 THR OG1 : rot 180:sc= 0 USER MOD Single : A1003 THR OG1 : rot 180:sc= 0 USER MOD Single : A1006 THR OG1 : rot -3:sc= -0.274 USER MOD Single : A1010 THR OG1 : rot 180:sc= 0 USER MOD Single : A1014 ASN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A1018 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1019 MET CE :methyl -170:sc= -4.41! (180deg=-4.88!) USER MOD ----------------------------------------------------------------- ATOM 20 N THR A 2 2.956 -5.705 23.297 1.00 63.24 N ATOM 21 CA THR A 2 1.966 -4.751 22.733 1.00 33.31 C ATOM 22 C THR A 2 2.506 -3.978 21.502 1.00 65.11 C ATOM 23 O THR A 2 1.880 -4.005 20.439 1.00 32.15 O ATOM 24 CB THR A 2 1.473 -3.744 23.824 1.00 62.43 C ATOM 25 OG1 THR A 2 0.997 -4.475 24.970 1.00 61.43 O ATOM 26 CG2 THR A 2 0.350 -2.816 23.308 1.00 62.51 C ATOM 0 HA THR A 2 1.124 -5.353 22.392 1.00 33.31 H new ATOM 0 HB THR A 2 2.321 -3.114 24.093 1.00 62.43 H new ATOM 0 HG1 THR A 2 1.478 -5.326 25.038 1.00 61.43 H new ATOM 0 HG21 THR A 2 0.044 -2.137 24.104 1.00 62.51 H new ATOM 0 HG22 THR A 2 0.717 -2.238 22.459 1.00 62.51 H new ATOM 0 HG23 THR A 2 -0.504 -3.417 22.996 1.00 62.51 H new ATOM 34 N SER A 3 3.691 -3.358 21.646 1.00 10.12 N ATOM 35 CA SER A 3 4.339 -2.601 20.550 1.00 13.42 C ATOM 36 C SER A 3 4.662 -3.526 19.356 1.00 2.11 C ATOM 37 O SER A 3 4.427 -3.167 18.189 1.00 11.42 O ATOM 38 CB SER A 3 5.629 -1.931 21.069 1.00 32.30 C ATOM 39 OG SER A 3 6.506 -2.886 21.656 1.00 33.13 O ATOM 0 H SER A 3 4.225 -3.365 22.515 1.00 10.12 H new ATOM 0 HA SER A 3 3.648 -1.832 20.205 1.00 13.42 H new ATOM 0 HB2 SER A 3 6.135 -1.426 20.247 1.00 32.30 H new ATOM 0 HB3 SER A 3 5.375 -1.167 21.804 1.00 32.30 H new ATOM 0 HG SER A 3 7.315 -2.434 21.974 1.00 33.13 H new ATOM 45 N THR A 4 5.160 -4.727 19.693 1.00 62.25 N ATOM 46 CA THR A 4 5.588 -5.751 18.740 1.00 31.13 C ATOM 47 C THR A 4 4.407 -6.243 17.866 1.00 72.43 C ATOM 48 O THR A 4 4.439 -6.094 16.648 1.00 10.20 O ATOM 49 CB THR A 4 6.235 -6.938 19.524 1.00 22.44 C ATOM 50 OG1 THR A 4 7.274 -6.431 20.381 1.00 25.41 O ATOM 51 CG2 THR A 4 6.813 -8.015 18.596 1.00 53.52 C ATOM 0 H THR A 4 5.277 -5.015 20.664 1.00 62.25 H new ATOM 0 HA THR A 4 6.324 -5.318 18.063 1.00 31.13 H new ATOM 0 HB THR A 4 5.447 -7.410 20.112 1.00 22.44 H new ATOM 0 HG1 THR A 4 7.681 -7.173 20.876 1.00 25.41 H new ATOM 0 HG21 THR A 4 7.249 -8.815 19.194 1.00 53.52 H new ATOM 0 HG22 THR A 4 6.018 -8.422 17.971 1.00 53.52 H new ATOM 0 HG23 THR A 4 7.583 -7.574 17.963 1.00 53.52 H new ATOM 59 N VAL A 5 3.350 -6.769 18.522 1.00 2.15 N ATOM 60 CA VAL A 5 2.154 -7.307 17.848 1.00 0.45 C ATOM 61 C VAL A 5 1.438 -6.207 17.040 1.00 13.24 C ATOM 62 O VAL A 5 1.011 -6.456 15.928 1.00 51.21 O ATOM 63 CB VAL A 5 1.150 -8.000 18.867 1.00 11.04 C ATOM 64 CG1 VAL A 5 0.625 -7.019 19.938 1.00 32.44 C ATOM 65 CG2 VAL A 5 -0.029 -8.688 18.126 1.00 11.21 C ATOM 0 H VAL A 5 3.305 -6.831 19.539 1.00 2.15 H new ATOM 0 HA VAL A 5 2.496 -8.079 17.159 1.00 0.45 H new ATOM 0 HB VAL A 5 1.722 -8.769 19.387 1.00 11.04 H new ATOM 0 HG11 VAL A 5 -0.057 -7.543 20.608 1.00 32.44 H new ATOM 0 HG12 VAL A 5 1.464 -6.622 20.510 1.00 32.44 H new ATOM 0 HG13 VAL A 5 0.097 -6.198 19.452 1.00 32.44 H new ATOM 0 HG21 VAL A 5 -0.695 -9.151 18.854 1.00 11.21 H new ATOM 0 HG22 VAL A 5 -0.581 -7.944 17.551 1.00 11.21 H new ATOM 0 HG23 VAL A 5 0.360 -9.452 17.453 1.00 11.21 H new ATOM 75 N GLU A 6 1.384 -4.981 17.593 1.00 11.41 N ATOM 76 CA GLU A 6 0.724 -3.823 16.957 1.00 31.42 C ATOM 77 C GLU A 6 1.392 -3.487 15.606 1.00 53.31 C ATOM 78 O GLU A 6 0.728 -3.403 14.563 1.00 42.01 O ATOM 79 CB GLU A 6 0.808 -2.627 17.936 1.00 31.23 C ATOM 80 CG GLU A 6 0.052 -1.360 17.520 1.00 14.44 C ATOM 81 CD GLU A 6 0.115 -0.259 18.597 1.00 35.14 C ATOM 82 OE1 GLU A 6 0.811 0.763 18.395 1.00 2.35 O ATOM 83 OE2 GLU A 6 -0.509 -0.432 19.667 1.00 55.53 O ATOM 0 H GLU A 6 1.799 -4.764 18.499 1.00 11.41 H new ATOM 0 HA GLU A 6 -0.320 -4.054 16.747 1.00 31.42 H new ATOM 0 HB2 GLU A 6 0.429 -2.950 18.905 1.00 31.23 H new ATOM 0 HB3 GLU A 6 1.858 -2.370 18.074 1.00 31.23 H new ATOM 0 HG2 GLU A 6 0.472 -0.979 16.589 1.00 14.44 H new ATOM 0 HG3 GLU A 6 -0.990 -1.611 17.321 1.00 14.44 H new ATOM 90 N PHE A 7 2.727 -3.379 15.654 1.00 34.32 N ATOM 91 CA PHE A 7 3.571 -3.005 14.507 1.00 33.22 C ATOM 92 C PHE A 7 3.532 -4.088 13.396 1.00 24.12 C ATOM 93 O PHE A 7 3.327 -3.781 12.209 1.00 44.32 O ATOM 94 CB PHE A 7 5.007 -2.788 15.045 1.00 52.24 C ATOM 95 CG PHE A 7 6.025 -2.261 14.044 1.00 31.53 C ATOM 96 CD1 PHE A 7 7.215 -2.947 13.803 1.00 53.31 C ATOM 97 CD2 PHE A 7 5.805 -1.057 13.369 1.00 64.45 C ATOM 98 CE1 PHE A 7 8.147 -2.448 12.923 1.00 63.02 C ATOM 99 CE2 PHE A 7 6.741 -0.563 12.485 1.00 43.02 C ATOM 100 CZ PHE A 7 7.915 -1.257 12.264 1.00 11.15 C ATOM 0 H PHE A 7 3.262 -3.552 16.505 1.00 34.32 H new ATOM 0 HA PHE A 7 3.200 -2.090 14.044 1.00 33.22 H new ATOM 0 HB2 PHE A 7 4.958 -2.092 15.883 1.00 52.24 H new ATOM 0 HB3 PHE A 7 5.373 -3.736 15.439 1.00 52.24 H new ATOM 0 HD1 PHE A 7 7.407 -3.880 14.313 1.00 53.31 H new ATOM 0 HD2 PHE A 7 4.892 -0.507 13.542 1.00 64.45 H new ATOM 0 HE1 PHE A 7 9.064 -2.990 12.747 1.00 63.02 H new ATOM 0 HE2 PHE A 7 6.556 0.366 11.966 1.00 43.02 H new ATOM 0 HZ PHE A 7 8.651 -0.868 11.576 1.00 11.15 H new ATOM 110 N ILE A 8 3.684 -5.359 13.820 1.00 2.40 N ATOM 111 CA ILE A 8 3.702 -6.537 12.930 1.00 52.21 C ATOM 112 C ILE A 8 2.304 -6.792 12.309 1.00 4.13 C ATOM 113 O ILE A 8 2.212 -7.225 11.164 1.00 53.31 O ATOM 114 CB ILE A 8 4.214 -7.810 13.720 1.00 54.21 C ATOM 115 CG1 ILE A 8 5.676 -7.587 14.226 1.00 24.33 C ATOM 116 CG2 ILE A 8 4.134 -9.107 12.879 1.00 4.23 C ATOM 117 CD1 ILE A 8 6.204 -8.691 15.122 1.00 60.54 C ATOM 0 H ILE A 8 3.799 -5.599 14.805 1.00 2.40 H new ATOM 0 HA ILE A 8 4.392 -6.338 12.110 1.00 52.21 H new ATOM 0 HB ILE A 8 3.549 -7.939 14.574 1.00 54.21 H new ATOM 0 HG12 ILE A 8 6.335 -7.489 13.363 1.00 24.33 H new ATOM 0 HG13 ILE A 8 5.720 -6.643 14.769 1.00 24.33 H new ATOM 0 HG21 ILE A 8 4.498 -9.947 13.471 1.00 4.23 H new ATOM 0 HG22 ILE A 8 3.099 -9.289 12.588 1.00 4.23 H new ATOM 0 HG23 ILE A 8 4.749 -9.000 11.985 1.00 4.23 H new ATOM 0 HD11 ILE A 8 7.224 -8.456 15.427 1.00 60.54 H new ATOM 0 HD12 ILE A 8 5.572 -8.776 16.006 1.00 60.54 H new ATOM 0 HD13 ILE A 8 6.197 -9.636 14.578 1.00 60.54 H new ATOM 129 N ASN A 9 1.221 -6.493 13.068 1.00 54.23 N ATOM 130 CA ASN A 9 -0.178 -6.642 12.577 1.00 2.05 C ATOM 131 C ASN A 9 -0.537 -5.538 11.578 1.00 55.44 C ATOM 132 O ASN A 9 -1.342 -5.770 10.672 1.00 45.42 O ATOM 133 CB ASN A 9 -1.225 -6.661 13.731 1.00 20.32 C ATOM 134 CG ASN A 9 -1.315 -7.999 14.481 1.00 13.11 C ATOM 135 OD1 ASN A 9 -0.184 -8.649 14.738 1.00 63.42 O flip ATOM 136 ND2 ASN A 9 -2.402 -8.435 14.861 1.00 1.01 N flip ATOM 0 H ASN A 9 1.287 -6.146 14.025 1.00 54.23 H new ATOM 0 HA ASN A 9 -0.217 -7.610 12.077 1.00 2.05 H new ATOM 0 HB2 ASN A 9 -0.977 -5.874 14.444 1.00 20.32 H new ATOM 0 HB3 ASN A 9 -2.206 -6.421 13.320 1.00 20.32 H new ATOM 0 HD21 ASN A 9 -3.258 -7.921 14.654 1.00 1.01 H new ATOM 0 HD22 ASN A 9 -2.446 -9.310 15.383 1.00 1.01 H new ATOM 143 N ARG A 10 0.038 -4.335 11.766 1.00 41.43 N ATOM 144 CA ARG A 10 -0.104 -3.235 10.791 1.00 40.45 C ATOM 145 C ARG A 10 0.560 -3.625 9.466 1.00 22.13 C ATOM 146 O ARG A 10 -0.080 -3.571 8.419 1.00 71.15 O ATOM 147 CB ARG A 10 0.494 -1.913 11.333 1.00 61.33 C ATOM 148 CG ARG A 10 -0.347 -1.247 12.436 1.00 15.33 C ATOM 149 CD ARG A 10 0.311 0.020 12.994 1.00 2.13 C ATOM 150 NE ARG A 10 -0.569 0.726 13.944 1.00 53.32 N ATOM 151 CZ ARG A 10 -0.188 1.245 15.119 1.00 63.23 C ATOM 152 NH1 ARG A 10 1.070 1.164 15.515 1.00 43.40 N ATOM 153 NH2 ARG A 10 -1.078 1.829 15.908 1.00 24.52 N ATOM 0 H ARG A 10 0.604 -4.100 12.581 1.00 41.43 H new ATOM 0 HA ARG A 10 -1.167 -3.066 10.622 1.00 40.45 H new ATOM 0 HB2 ARG A 10 1.492 -2.112 11.723 1.00 61.33 H new ATOM 0 HB3 ARG A 10 0.608 -1.213 10.506 1.00 61.33 H new ATOM 0 HG2 ARG A 10 -1.330 -0.996 12.037 1.00 15.33 H new ATOM 0 HG3 ARG A 10 -0.504 -1.958 13.247 1.00 15.33 H new ATOM 0 HD2 ARG A 10 1.244 -0.245 13.492 1.00 2.13 H new ATOM 0 HD3 ARG A 10 0.567 0.688 12.172 1.00 2.13 H new ATOM 0 HE ARG A 10 -1.550 0.828 13.685 1.00 53.32 H new ATOM 0 HH11 ARG A 10 1.762 0.703 14.924 1.00 43.40 H new ATOM 0 HH12 ARG A 10 1.349 1.563 16.411 1.00 43.40 H new ATOM 0 HH21 ARG A 10 -2.055 1.884 15.621 1.00 24.52 H new ATOM 0 HH22 ARG A 10 -0.786 2.223 16.802 1.00 24.52 H new ATOM 167 N TRP A 11 1.833 -4.069 9.541 1.00 62.04 N ATOM 168 CA TRP A 11 2.580 -4.549 8.358 1.00 1.13 C ATOM 169 C TRP A 11 1.906 -5.776 7.716 1.00 62.21 C ATOM 170 O TRP A 11 1.937 -5.930 6.485 1.00 12.12 O ATOM 171 CB TRP A 11 4.056 -4.875 8.717 1.00 70.24 C ATOM 172 CG TRP A 11 4.946 -3.662 8.797 1.00 63.32 C ATOM 173 CD1 TRP A 11 5.601 -3.185 9.889 1.00 12.24 C ATOM 174 CD2 TRP A 11 5.256 -2.761 7.720 1.00 62.33 C ATOM 175 NE1 TRP A 11 6.305 -2.058 9.554 1.00 52.12 N ATOM 176 CE2 TRP A 11 6.108 -1.771 8.237 1.00 62.14 C ATOM 177 CE3 TRP A 11 4.902 -2.701 6.369 1.00 33.45 C ATOM 178 CZ2 TRP A 11 6.609 -0.730 7.460 1.00 11.01 C ATOM 179 CZ3 TRP A 11 5.389 -1.669 5.600 1.00 34.33 C ATOM 180 CH2 TRP A 11 6.235 -0.693 6.150 1.00 43.10 C ATOM 0 H TRP A 11 2.366 -4.105 10.410 1.00 62.04 H new ATOM 0 HA TRP A 11 2.571 -3.739 7.629 1.00 1.13 H new ATOM 0 HB2 TRP A 11 4.081 -5.395 9.674 1.00 70.24 H new ATOM 0 HB3 TRP A 11 4.458 -5.560 7.971 1.00 70.24 H new ATOM 0 HD1 TRP A 11 5.571 -3.628 10.873 1.00 12.24 H new ATOM 0 HE1 TRP A 11 6.887 -1.517 10.193 1.00 52.12 H new ATOM 0 HE3 TRP A 11 4.257 -3.452 5.936 1.00 33.45 H new ATOM 0 HZ2 TRP A 11 7.267 0.017 7.878 1.00 11.01 H new ATOM 0 HZ3 TRP A 11 5.116 -1.609 4.557 1.00 34.33 H new ATOM 0 HH2 TRP A 11 6.598 0.106 5.520 1.00 43.10 H new ATOM 191 N GLN A 12 1.292 -6.628 8.562 1.00 53.40 N ATOM 192 CA GLN A 12 0.543 -7.812 8.114 1.00 24.44 C ATOM 193 C GLN A 12 -0.626 -7.370 7.236 1.00 34.43 C ATOM 194 O GLN A 12 -0.771 -7.848 6.116 1.00 13.42 O ATOM 195 CB GLN A 12 0.026 -8.632 9.328 1.00 32.54 C ATOM 196 CG GLN A 12 -0.694 -9.947 8.965 1.00 14.42 C ATOM 197 CD GLN A 12 -1.268 -10.687 10.179 1.00 23.32 C ATOM 198 OE1 GLN A 12 -1.650 -10.070 11.176 1.00 3.33 O ATOM 199 NE2 GLN A 12 -1.338 -12.004 10.108 1.00 34.20 N ATOM 0 H GLN A 12 1.304 -6.511 9.575 1.00 53.40 H new ATOM 0 HA GLN A 12 1.209 -8.453 7.536 1.00 24.44 H new ATOM 0 HB2 GLN A 12 0.870 -8.864 9.977 1.00 32.54 H new ATOM 0 HB3 GLN A 12 -0.657 -8.008 9.905 1.00 32.54 H new ATOM 0 HG2 GLN A 12 -1.503 -9.728 8.267 1.00 14.42 H new ATOM 0 HG3 GLN A 12 0.005 -10.603 8.447 1.00 14.42 H new ATOM 0 HE21 GLN A 12 -1.014 -12.487 9.270 1.00 34.20 H new ATOM 0 HE22 GLN A 12 -1.716 -12.538 10.891 1.00 34.20 H new ATOM 208 N ARG A 13 -1.406 -6.395 7.753 1.00 3.44 N ATOM 209 CA ARG A 13 -2.547 -5.813 7.036 1.00 32.20 C ATOM 210 C ARG A 13 -2.111 -5.222 5.688 1.00 41.33 C ATOM 211 O ARG A 13 -2.726 -5.505 4.685 1.00 54.24 O ATOM 212 CB ARG A 13 -3.264 -4.728 7.895 1.00 21.23 C ATOM 213 CG ARG A 13 -4.138 -5.288 9.036 1.00 62.44 C ATOM 214 CD ARG A 13 -4.893 -4.190 9.809 1.00 4.10 C ATOM 215 NE ARG A 13 -5.962 -4.758 10.658 1.00 43.42 N ATOM 216 CZ ARG A 13 -7.169 -4.198 10.874 1.00 51.24 C ATOM 217 NH1 ARG A 13 -7.496 -3.036 10.309 1.00 45.21 N ATOM 218 NH2 ARG A 13 -8.070 -4.838 11.614 1.00 11.04 N ATOM 0 H ARG A 13 -1.257 -5.994 8.679 1.00 3.44 H new ATOM 0 HA ARG A 13 -3.255 -6.619 6.846 1.00 32.20 H new ATOM 0 HB2 ARG A 13 -2.511 -4.066 8.323 1.00 21.23 H new ATOM 0 HB3 ARG A 13 -3.889 -4.120 7.241 1.00 21.23 H new ATOM 0 HG2 ARG A 13 -4.858 -5.994 8.622 1.00 62.44 H new ATOM 0 HG3 ARG A 13 -3.508 -5.845 9.729 1.00 62.44 H new ATOM 0 HD2 ARG A 13 -4.191 -3.634 10.430 1.00 4.10 H new ATOM 0 HD3 ARG A 13 -5.326 -3.480 9.104 1.00 4.10 H new ATOM 0 HE ARG A 13 -5.770 -5.648 11.119 1.00 43.42 H new ATOM 0 HH11 ARG A 13 -6.829 -2.558 9.703 1.00 45.21 H new ATOM 0 HH12 ARG A 13 -8.413 -2.625 10.482 1.00 45.21 H new ATOM 0 HH21 ARG A 13 -7.846 -5.749 12.015 1.00 11.04 H new ATOM 0 HH22 ARG A 13 -8.985 -4.418 11.780 1.00 11.04 H new ATOM 232 N ILE A 14 -1.012 -4.450 5.681 1.00 23.31 N ATOM 233 CA ILE A 14 -0.519 -3.748 4.472 1.00 72.20 C ATOM 234 C ILE A 14 -0.065 -4.746 3.380 1.00 73.12 C ATOM 235 O ILE A 14 -0.328 -4.528 2.199 1.00 23.52 O ATOM 236 CB ILE A 14 0.642 -2.751 4.852 1.00 33.12 C ATOM 237 CG1 ILE A 14 0.138 -1.737 5.910 1.00 70.40 C ATOM 238 CG2 ILE A 14 1.208 -1.993 3.628 1.00 35.22 C ATOM 239 CD1 ILE A 14 1.208 -0.846 6.486 1.00 14.45 C ATOM 0 H ILE A 14 -0.437 -4.292 6.509 1.00 23.31 H new ATOM 0 HA ILE A 14 -1.345 -3.172 4.056 1.00 72.20 H new ATOM 0 HB ILE A 14 1.456 -3.350 5.261 1.00 33.12 H new ATOM 0 HG12 ILE A 14 -0.632 -1.112 5.457 1.00 70.40 H new ATOM 0 HG13 ILE A 14 -0.336 -2.286 6.724 1.00 70.40 H new ATOM 0 HG21 ILE A 14 2.004 -1.322 3.952 1.00 35.22 H new ATOM 0 HG22 ILE A 14 1.607 -2.709 2.909 1.00 35.22 H new ATOM 0 HG23 ILE A 14 0.413 -1.413 3.159 1.00 35.22 H new ATOM 0 HD11 ILE A 14 0.764 -0.170 7.217 1.00 14.45 H new ATOM 0 HD12 ILE A 14 1.968 -1.458 6.972 1.00 14.45 H new ATOM 0 HD13 ILE A 14 1.667 -0.265 5.686 1.00 14.45 H new ATOM 251 N ALA A 15 0.570 -5.860 3.793 1.00 45.43 N ATOM 252 CA ALA A 15 1.010 -6.920 2.857 1.00 35.11 C ATOM 253 C ALA A 15 -0.197 -7.671 2.259 1.00 34.22 C ATOM 254 O ALA A 15 -0.278 -7.866 1.039 1.00 54.45 O ATOM 255 CB ALA A 15 1.962 -7.893 3.559 1.00 54.33 C ATOM 0 H ALA A 15 0.791 -6.052 4.770 1.00 45.43 H new ATOM 0 HA ALA A 15 1.546 -6.445 2.035 1.00 35.11 H new ATOM 0 HB1 ALA A 15 2.276 -8.665 2.857 1.00 54.33 H new ATOM 0 HB2 ALA A 15 2.837 -7.351 3.917 1.00 54.33 H new ATOM 0 HB3 ALA A 15 1.451 -8.356 4.403 1.00 54.33 H new ATOM 261 N LEU A 16 -1.147 -8.053 3.141 1.00 13.21 N ATOM 262 CA LEU A 16 -2.365 -8.793 2.753 1.00 22.11 C ATOM 263 C LEU A 16 -3.269 -7.926 1.860 1.00 71.10 C ATOM 264 O LEU A 16 -3.835 -8.414 0.887 1.00 44.31 O ATOM 265 CB LEU A 16 -3.160 -9.257 4.011 1.00 33.34 C ATOM 266 CG LEU A 16 -2.420 -10.222 4.994 1.00 54.30 C ATOM 267 CD1 LEU A 16 -3.334 -10.617 6.177 1.00 22.10 C ATOM 268 CD2 LEU A 16 -1.859 -11.463 4.265 1.00 40.22 C ATOM 0 H LEU A 16 -1.090 -7.857 4.140 1.00 13.21 H new ATOM 0 HA LEU A 16 -2.052 -9.673 2.192 1.00 22.11 H new ATOM 0 HB2 LEU A 16 -3.463 -8.370 4.568 1.00 33.34 H new ATOM 0 HB3 LEU A 16 -4.073 -9.749 3.674 1.00 33.34 H new ATOM 0 HG LEU A 16 -1.565 -9.683 5.403 1.00 54.30 H new ATOM 0 HD11 LEU A 16 -2.795 -11.288 6.845 1.00 22.10 H new ATOM 0 HD12 LEU A 16 -3.629 -9.721 6.723 1.00 22.10 H new ATOM 0 HD13 LEU A 16 -4.223 -11.120 5.797 1.00 22.10 H new ATOM 0 HD21 LEU A 16 -1.352 -12.108 4.983 1.00 40.22 H new ATOM 0 HD22 LEU A 16 -2.677 -12.012 3.798 1.00 40.22 H new ATOM 0 HD23 LEU A 16 -1.151 -11.146 3.499 1.00 40.22 H new ATOM 280 N LEU A 17 -3.369 -6.629 2.203 1.00 22.32 N ATOM 281 CA LEU A 17 -4.207 -5.655 1.485 1.00 14.00 C ATOM 282 C LEU A 17 -3.615 -5.368 0.102 1.00 1.32 C ATOM 283 O LEU A 17 -4.329 -5.470 -0.872 1.00 40.43 O ATOM 284 CB LEU A 17 -4.386 -4.333 2.301 1.00 62.11 C ATOM 285 CG LEU A 17 -5.409 -4.382 3.486 1.00 31.23 C ATOM 286 CD1 LEU A 17 -5.265 -3.150 4.410 1.00 2.24 C ATOM 287 CD2 LEU A 17 -6.854 -4.510 2.958 1.00 72.44 C ATOM 0 H LEU A 17 -2.866 -6.225 2.993 1.00 22.32 H new ATOM 0 HA LEU A 17 -5.198 -6.092 1.360 1.00 14.00 H new ATOM 0 HB2 LEU A 17 -3.414 -4.043 2.700 1.00 62.11 H new ATOM 0 HB3 LEU A 17 -4.696 -3.546 1.614 1.00 62.11 H new ATOM 0 HG LEU A 17 -5.184 -5.267 4.081 1.00 31.23 H new ATOM 0 HD11 LEU A 17 -5.990 -3.217 5.221 1.00 2.24 H new ATOM 0 HD12 LEU A 17 -4.258 -3.122 4.825 1.00 2.24 H new ATOM 0 HD13 LEU A 17 -5.446 -2.241 3.836 1.00 2.24 H new ATOM 0 HD21 LEU A 17 -7.547 -4.542 3.799 1.00 72.44 H new ATOM 0 HD22 LEU A 17 -7.088 -3.652 2.327 1.00 72.44 H new ATOM 0 HD23 LEU A 17 -6.948 -5.426 2.375 1.00 72.44 H new ATOM 299 N SER A 18 -2.305 -5.064 0.022 1.00 25.14 N ATOM 300 CA SER A 18 -1.629 -4.777 -1.266 1.00 11.41 C ATOM 301 C SER A 18 -1.708 -5.992 -2.212 1.00 33.43 C ATOM 302 O SER A 18 -1.865 -5.830 -3.422 1.00 60.31 O ATOM 303 CB SER A 18 -0.156 -4.380 -1.045 1.00 1.21 C ATOM 304 OG SER A 18 0.559 -5.406 -0.379 1.00 42.35 O ATOM 0 H SER A 18 -1.690 -5.010 0.834 1.00 25.14 H new ATOM 0 HA SER A 18 -2.149 -3.938 -1.728 1.00 11.41 H new ATOM 0 HB2 SER A 18 0.315 -4.170 -2.006 1.00 1.21 H new ATOM 0 HB3 SER A 18 -0.108 -3.462 -0.460 1.00 1.21 H new ATOM 0 HG SER A 18 0.418 -5.329 0.588 1.00 42.35 H new ATOM 310 N GLN A 19 -1.607 -7.204 -1.624 1.00 41.14 N ATOM 311 CA GLN A 19 -1.738 -8.478 -2.357 1.00 51.24 C ATOM 312 C GLN A 19 -3.164 -8.656 -2.923 1.00 65.24 C ATOM 313 O GLN A 19 -3.334 -8.941 -4.115 1.00 21.12 O ATOM 314 CB GLN A 19 -1.374 -9.658 -1.421 1.00 71.01 C ATOM 315 CG GLN A 19 -1.275 -11.030 -2.113 1.00 62.45 C ATOM 316 CD GLN A 19 -0.913 -12.181 -1.164 1.00 55.13 C ATOM 317 OE1 GLN A 19 -0.220 -13.124 -1.549 1.00 11.45 O ATOM 318 NE2 GLN A 19 -1.423 -12.147 0.067 1.00 4.51 N ATOM 0 H GLN A 19 -1.432 -7.324 -0.626 1.00 41.14 H new ATOM 0 HA GLN A 19 -1.049 -8.463 -3.201 1.00 51.24 H new ATOM 0 HB2 GLN A 19 -0.420 -9.440 -0.941 1.00 71.01 H new ATOM 0 HB3 GLN A 19 -2.122 -9.719 -0.631 1.00 71.01 H new ATOM 0 HG2 GLN A 19 -2.228 -11.254 -2.593 1.00 62.45 H new ATOM 0 HG3 GLN A 19 -0.526 -10.974 -2.903 1.00 62.45 H new ATOM 0 HE21 GLN A 19 -1.994 -11.354 0.361 1.00 4.51 H new ATOM 0 HE22 GLN A 19 -1.243 -12.914 0.715 1.00 4.51 H new ATOM 327 N SER A 20 -4.175 -8.448 -2.052 1.00 2.35 N ATOM 328 CA SER A 20 -5.604 -8.553 -2.413 1.00 73.41 C ATOM 329 C SER A 20 -5.955 -7.557 -3.532 1.00 73.31 C ATOM 330 O SER A 20 -6.421 -7.944 -4.598 1.00 44.03 O ATOM 331 CB SER A 20 -6.492 -8.287 -1.176 1.00 71.21 C ATOM 332 OG SER A 20 -6.248 -9.229 -0.144 1.00 54.32 O ATOM 0 H SER A 20 -4.021 -8.201 -1.074 1.00 2.35 H new ATOM 0 HA SER A 20 -5.791 -9.565 -2.773 1.00 73.41 H new ATOM 0 HB2 SER A 20 -6.304 -7.281 -0.802 1.00 71.21 H new ATOM 0 HB3 SER A 20 -7.542 -8.328 -1.466 1.00 71.21 H new ATOM 0 HG SER A 20 -5.387 -9.032 0.282 1.00 54.32 H new ATOM 338 N LEU A 21 -5.659 -6.277 -3.258 1.00 33.31 N ATOM 339 CA LEU A 21 -5.882 -5.147 -4.165 1.00 13.21 C ATOM 340 C LEU A 21 -5.132 -5.332 -5.493 1.00 14.42 C ATOM 341 O LEU A 21 -5.602 -4.867 -6.528 1.00 35.42 O ATOM 342 CB LEU A 21 -5.443 -3.827 -3.468 1.00 42.00 C ATOM 343 CG LEU A 21 -6.254 -3.436 -2.185 1.00 71.11 C ATOM 344 CD1 LEU A 21 -5.559 -2.315 -1.379 1.00 44.14 C ATOM 345 CD2 LEU A 21 -7.696 -3.050 -2.547 1.00 13.10 C ATOM 0 H LEU A 21 -5.245 -5.994 -2.370 1.00 33.31 H new ATOM 0 HA LEU A 21 -6.946 -5.098 -4.398 1.00 13.21 H new ATOM 0 HB2 LEU A 21 -4.390 -3.912 -3.199 1.00 42.00 H new ATOM 0 HB3 LEU A 21 -5.523 -3.013 -4.188 1.00 42.00 H new ATOM 0 HG LEU A 21 -6.288 -4.315 -1.541 1.00 71.11 H new ATOM 0 HD11 LEU A 21 -6.156 -2.076 -0.499 1.00 44.14 H new ATOM 0 HD12 LEU A 21 -4.570 -2.651 -1.067 1.00 44.14 H new ATOM 0 HD13 LEU A 21 -5.460 -1.426 -2.002 1.00 44.14 H new ATOM 0 HD21 LEU A 21 -8.239 -2.783 -1.641 1.00 13.10 H new ATOM 0 HD22 LEU A 21 -7.685 -2.199 -3.228 1.00 13.10 H new ATOM 0 HD23 LEU A 21 -8.188 -3.894 -3.030 1.00 13.10 H new ATOM 357 N LEU A 22 -3.958 -6.009 -5.450 1.00 53.12 N ATOM 358 CA LEU A 22 -3.187 -6.340 -6.662 1.00 54.40 C ATOM 359 C LEU A 22 -3.966 -7.320 -7.543 1.00 0.51 C ATOM 360 O LEU A 22 -4.126 -7.070 -8.737 1.00 22.41 O ATOM 361 CB LEU A 22 -1.803 -6.944 -6.314 1.00 1.42 C ATOM 362 CG LEU A 22 -0.940 -7.404 -7.533 1.00 11.23 C ATOM 363 CD1 LEU A 22 -0.720 -6.248 -8.531 1.00 52.14 C ATOM 364 CD2 LEU A 22 0.395 -8.007 -7.064 1.00 73.43 C ATOM 0 H LEU A 22 -3.528 -6.335 -4.584 1.00 53.12 H new ATOM 0 HA LEU A 22 -3.027 -5.409 -7.206 1.00 54.40 H new ATOM 0 HB2 LEU A 22 -1.236 -6.204 -5.749 1.00 1.42 H new ATOM 0 HB3 LEU A 22 -1.955 -7.800 -5.656 1.00 1.42 H new ATOM 0 HG LEU A 22 -1.490 -8.185 -8.058 1.00 11.23 H new ATOM 0 HD11 LEU A 22 -0.116 -6.600 -9.368 1.00 52.14 H new ATOM 0 HD12 LEU A 22 -1.684 -5.898 -8.901 1.00 52.14 H new ATOM 0 HD13 LEU A 22 -0.204 -5.428 -8.031 1.00 52.14 H new ATOM 0 HD21 LEU A 22 0.978 -8.320 -7.931 1.00 73.43 H new ATOM 0 HD22 LEU A 22 0.954 -7.259 -6.501 1.00 73.43 H new ATOM 0 HD23 LEU A 22 0.201 -8.870 -6.427 1.00 73.43 H new ATOM 376 N GLU A 23 -4.456 -8.418 -6.921 1.00 24.54 N ATOM 377 CA GLU A 23 -5.246 -9.459 -7.620 1.00 4.35 C ATOM 378 C GLU A 23 -6.460 -8.821 -8.308 1.00 32.50 C ATOM 379 O GLU A 23 -6.684 -9.011 -9.506 1.00 51.41 O ATOM 380 CB GLU A 23 -5.729 -10.543 -6.620 1.00 34.43 C ATOM 381 CG GLU A 23 -4.602 -11.303 -5.899 1.00 70.30 C ATOM 382 CD GLU A 23 -5.135 -12.267 -4.834 1.00 74.24 C ATOM 383 OE1 GLU A 23 -5.628 -11.793 -3.790 1.00 71.12 O ATOM 384 OE2 GLU A 23 -5.081 -13.502 -5.028 1.00 15.44 O ATOM 0 H GLU A 23 -4.316 -8.606 -5.928 1.00 24.54 H new ATOM 0 HA GLU A 23 -4.608 -9.929 -8.368 1.00 4.35 H new ATOM 0 HB2 GLU A 23 -6.365 -10.070 -5.872 1.00 34.43 H new ATOM 0 HB3 GLU A 23 -6.348 -11.262 -7.156 1.00 34.43 H new ATOM 0 HG2 GLU A 23 -4.018 -11.861 -6.631 1.00 70.30 H new ATOM 0 HG3 GLU A 23 -3.926 -10.587 -5.431 1.00 70.30 H new ATOM 391 N LEU A 24 -7.171 -7.994 -7.523 1.00 5.55 N ATOM 392 CA LEU A 24 -8.364 -7.261 -7.957 1.00 52.22 C ATOM 393 C LEU A 24 -8.036 -6.332 -9.150 1.00 22.33 C ATOM 394 O LEU A 24 -8.723 -6.364 -10.171 1.00 41.33 O ATOM 395 CB LEU A 24 -8.929 -6.443 -6.765 1.00 35.12 C ATOM 396 CG LEU A 24 -9.341 -7.252 -5.491 1.00 51.22 C ATOM 397 CD1 LEU A 24 -9.652 -6.307 -4.315 1.00 42.04 C ATOM 398 CD2 LEU A 24 -10.522 -8.206 -5.770 1.00 41.01 C ATOM 0 H LEU A 24 -6.924 -7.815 -6.550 1.00 5.55 H new ATOM 0 HA LEU A 24 -9.117 -7.975 -8.290 1.00 52.22 H new ATOM 0 HB2 LEU A 24 -8.181 -5.706 -6.473 1.00 35.12 H new ATOM 0 HB3 LEU A 24 -9.801 -5.891 -7.114 1.00 35.12 H new ATOM 0 HG LEU A 24 -8.490 -7.872 -5.211 1.00 51.22 H new ATOM 0 HD11 LEU A 24 -9.936 -6.894 -3.442 1.00 42.04 H new ATOM 0 HD12 LEU A 24 -8.768 -5.713 -4.082 1.00 42.04 H new ATOM 0 HD13 LEU A 24 -10.473 -5.644 -4.588 1.00 42.04 H new ATOM 0 HD21 LEU A 24 -10.775 -8.748 -4.859 1.00 41.01 H new ATOM 0 HD22 LEU A 24 -11.386 -7.629 -6.101 1.00 41.01 H new ATOM 0 HD23 LEU A 24 -10.240 -8.916 -6.548 1.00 41.01 H new ATOM 410 N ALA A 25 -6.936 -5.566 -9.024 1.00 20.42 N ATOM 411 CA ALA A 25 -6.491 -4.603 -10.056 1.00 24.22 C ATOM 412 C ALA A 25 -6.102 -5.310 -11.365 1.00 62.15 C ATOM 413 O ALA A 25 -6.359 -4.787 -12.451 1.00 41.22 O ATOM 414 CB ALA A 25 -5.317 -3.766 -9.537 1.00 35.12 C ATOM 0 H ALA A 25 -6.329 -5.595 -8.205 1.00 20.42 H new ATOM 0 HA ALA A 25 -7.331 -3.943 -10.272 1.00 24.22 H new ATOM 0 HB1 ALA A 25 -5.002 -3.063 -10.308 1.00 35.12 H new ATOM 0 HB2 ALA A 25 -5.627 -3.215 -8.649 1.00 35.12 H new ATOM 0 HB3 ALA A 25 -4.485 -4.423 -9.284 1.00 35.12 H new ATOM 420 N GLN A 26 -5.494 -6.502 -11.243 1.00 34.45 N ATOM 421 CA GLN A 26 -5.121 -7.342 -12.397 1.00 1.54 C ATOM 422 C GLN A 26 -6.383 -7.869 -13.112 1.00 2.20 C ATOM 423 O GLN A 26 -6.425 -7.933 -14.343 1.00 54.43 O ATOM 424 CB GLN A 26 -4.233 -8.528 -11.938 1.00 54.50 C ATOM 425 CG GLN A 26 -2.820 -8.150 -11.428 1.00 22.44 C ATOM 426 CD GLN A 26 -1.876 -7.635 -12.521 1.00 42.04 C ATOM 427 OE1 GLN A 26 -1.980 -8.009 -13.692 1.00 54.31 O ATOM 428 NE2 GLN A 26 -0.906 -6.813 -12.139 1.00 41.02 N ATOM 0 H GLN A 26 -5.247 -6.912 -10.342 1.00 34.45 H new ATOM 0 HA GLN A 26 -4.553 -6.730 -13.098 1.00 1.54 H new ATOM 0 HB2 GLN A 26 -4.755 -9.063 -11.144 1.00 54.50 H new ATOM 0 HB3 GLN A 26 -4.125 -9.221 -12.772 1.00 54.50 H new ATOM 0 HG2 GLN A 26 -2.916 -7.386 -10.657 1.00 22.44 H new ATOM 0 HG3 GLN A 26 -2.370 -9.024 -10.957 1.00 22.44 H new ATOM 0 HE21 GLN A 26 -0.841 -6.518 -11.165 1.00 41.02 H new ATOM 0 HE22 GLN A 26 -0.225 -6.476 -12.820 1.00 41.02 H new ATOM 437 N ARG A 27 -7.412 -8.233 -12.320 1.00 51.15 N ATOM 438 CA ARG A 27 -8.687 -8.776 -12.848 1.00 70.14 C ATOM 439 C ARG A 27 -9.610 -7.656 -13.388 1.00 21.44 C ATOM 440 O ARG A 27 -10.587 -7.940 -14.088 1.00 72.31 O ATOM 441 CB ARG A 27 -9.433 -9.611 -11.761 1.00 75.04 C ATOM 442 CG ARG A 27 -8.638 -10.803 -11.172 1.00 74.20 C ATOM 443 CD ARG A 27 -8.059 -11.748 -12.240 1.00 71.43 C ATOM 444 NE ARG A 27 -9.104 -12.363 -13.080 1.00 71.14 N ATOM 445 CZ ARG A 27 -8.961 -12.723 -14.373 1.00 52.53 C ATOM 446 NH1 ARG A 27 -7.808 -12.528 -15.016 1.00 50.02 N ATOM 447 NH2 ARG A 27 -9.982 -13.285 -15.014 1.00 34.15 N ATOM 0 H ARG A 27 -7.387 -8.161 -11.303 1.00 51.15 H new ATOM 0 HA ARG A 27 -8.433 -9.432 -13.681 1.00 70.14 H new ATOM 0 HB2 ARG A 27 -9.713 -8.945 -10.945 1.00 75.04 H new ATOM 0 HB3 ARG A 27 -10.358 -9.992 -12.193 1.00 75.04 H new ATOM 0 HG2 ARG A 27 -7.823 -10.418 -10.560 1.00 74.20 H new ATOM 0 HG3 ARG A 27 -9.291 -11.373 -10.511 1.00 74.20 H new ATOM 0 HD2 ARG A 27 -7.368 -11.193 -12.875 1.00 71.43 H new ATOM 0 HD3 ARG A 27 -7.482 -12.533 -11.751 1.00 71.43 H new ATOM 0 HE ARG A 27 -10.012 -12.531 -12.647 1.00 71.14 H new ATOM 0 HH11 ARG A 27 -7.019 -12.101 -14.530 1.00 50.02 H new ATOM 0 HH12 ARG A 27 -7.716 -12.806 -15.993 1.00 50.02 H new ATOM 0 HH21 ARG A 27 -10.865 -13.441 -14.528 1.00 34.15 H new ATOM 0 HH22 ARG A 27 -9.882 -13.560 -15.991 1.00 34.15 H new ATOM 461 N GLY A 28 -9.295 -6.390 -13.045 1.00 71.13 N ATOM 462 CA GLY A 28 -10.084 -5.226 -13.494 1.00 22.41 C ATOM 463 C GLY A 28 -11.123 -4.765 -12.470 1.00 22.53 C ATOM 464 O GLY A 28 -11.953 -3.903 -12.762 1.00 22.15 O ATOM 0 H GLY A 28 -8.497 -6.148 -12.457 1.00 71.13 H new ATOM 0 HA2 GLY A 28 -9.407 -4.400 -13.711 1.00 22.41 H new ATOM 0 HA3 GLY A 28 -10.590 -5.477 -14.426 1.00 22.41 H new ATOM 468 N GLU A 29 -11.075 -5.361 -11.280 1.00 0.45 N ATOM 469 CA GLU A 29 -11.931 -5.006 -10.136 1.00 54.22 C ATOM 470 C GLU A 29 -11.443 -3.695 -9.462 1.00 34.20 C ATOM 471 O GLU A 29 -10.502 -3.708 -8.668 1.00 42.21 O ATOM 472 CB GLU A 29 -11.965 -6.196 -9.139 1.00 33.22 C ATOM 473 CG GLU A 29 -12.703 -5.926 -7.814 1.00 65.10 C ATOM 474 CD GLU A 29 -14.164 -5.496 -7.992 1.00 24.24 C ATOM 475 OE1 GLU A 29 -15.026 -6.367 -8.211 1.00 41.13 O ATOM 476 OE2 GLU A 29 -14.459 -4.288 -7.895 1.00 21.50 O ATOM 0 H GLU A 29 -10.428 -6.122 -11.074 1.00 0.45 H new ATOM 0 HA GLU A 29 -12.947 -4.816 -10.484 1.00 54.22 H new ATOM 0 HB2 GLU A 29 -12.436 -7.047 -9.631 1.00 33.22 H new ATOM 0 HB3 GLU A 29 -10.939 -6.487 -8.911 1.00 33.22 H new ATOM 0 HG2 GLU A 29 -12.672 -6.828 -7.202 1.00 65.10 H new ATOM 0 HG3 GLU A 29 -12.170 -5.150 -7.265 1.00 65.10 H new ATOM 483 N TRP A 30 -12.048 -2.563 -9.861 1.00 34.35 N ATOM 484 CA TRP A 30 -11.670 -1.210 -9.365 1.00 55.35 C ATOM 485 C TRP A 30 -12.464 -0.793 -8.111 1.00 32.52 C ATOM 486 O TRP A 30 -11.956 -0.032 -7.279 1.00 13.03 O ATOM 487 CB TRP A 30 -11.872 -0.153 -10.484 1.00 0.33 C ATOM 488 CG TRP A 30 -11.296 -0.568 -11.815 1.00 1.13 C ATOM 489 CD1 TRP A 30 -11.966 -0.670 -13.004 1.00 33.14 C ATOM 490 CD2 TRP A 30 -9.943 -0.972 -12.082 1.00 5.31 C ATOM 491 NE1 TRP A 30 -11.117 -1.106 -13.984 1.00 23.12 N ATOM 492 CE2 TRP A 30 -9.873 -1.296 -13.446 1.00 72.34 C ATOM 493 CE3 TRP A 30 -8.784 -1.088 -11.299 1.00 3.54 C ATOM 494 CZ2 TRP A 30 -8.704 -1.732 -14.043 1.00 42.32 C ATOM 495 CZ3 TRP A 30 -7.621 -1.518 -11.899 1.00 0.42 C ATOM 496 CH2 TRP A 30 -7.590 -1.834 -13.258 1.00 13.30 C ATOM 0 H TRP A 30 -12.813 -2.550 -10.535 1.00 34.35 H new ATOM 0 HA TRP A 30 -10.618 -1.260 -9.084 1.00 55.35 H new ATOM 0 HB2 TRP A 30 -12.938 0.040 -10.603 1.00 0.33 H new ATOM 0 HB3 TRP A 30 -11.411 0.785 -10.174 1.00 0.33 H new ATOM 0 HD1 TRP A 30 -13.011 -0.440 -13.147 1.00 33.14 H new ATOM 0 HE1 TRP A 30 -11.370 -1.264 -14.959 1.00 23.12 H new ATOM 0 HE3 TRP A 30 -8.804 -0.845 -10.247 1.00 3.54 H new ATOM 0 HZ2 TRP A 30 -8.673 -1.983 -15.093 1.00 42.32 H new ATOM 0 HZ3 TRP A 30 -6.721 -1.612 -11.310 1.00 0.42 H new ATOM 0 HH2 TRP A 30 -6.663 -2.167 -13.700 1.00 13.30 H new ATOM 507 N ASP A 31 -13.708 -1.287 -7.997 1.00 71.35 N ATOM 508 CA ASP A 31 -14.669 -0.864 -6.943 1.00 44.41 C ATOM 509 C ASP A 31 -14.177 -1.256 -5.534 1.00 14.31 C ATOM 510 O ASP A 31 -14.303 -0.473 -4.580 1.00 34.44 O ATOM 511 CB ASP A 31 -16.077 -1.462 -7.242 1.00 63.12 C ATOM 512 CG ASP A 31 -17.111 -1.235 -6.119 1.00 51.53 C ATOM 513 OD1 ASP A 31 -17.645 -0.112 -5.999 1.00 23.13 O ATOM 514 OD2 ASP A 31 -17.403 -2.180 -5.361 1.00 12.43 O ATOM 0 H ASP A 31 -14.084 -1.993 -8.630 1.00 71.35 H new ATOM 0 HA ASP A 31 -14.741 0.223 -6.958 1.00 44.41 H new ATOM 0 HB2 ASP A 31 -16.457 -1.024 -8.165 1.00 63.12 H new ATOM 0 HB3 ASP A 31 -15.975 -2.533 -7.416 1.00 63.12 H new ATOM 519 N LEU A 32 -13.583 -2.459 -5.418 1.00 23.22 N ATOM 520 CA LEU A 32 -13.032 -2.944 -4.139 1.00 45.11 C ATOM 521 C LEU A 32 -11.706 -2.232 -3.793 1.00 70.11 C ATOM 522 O LEU A 32 -11.307 -2.211 -2.630 1.00 12.54 O ATOM 523 CB LEU A 32 -12.845 -4.480 -4.157 1.00 13.55 C ATOM 524 CG LEU A 32 -14.134 -5.336 -4.388 1.00 65.33 C ATOM 525 CD1 LEU A 32 -13.811 -6.844 -4.343 1.00 43.24 C ATOM 526 CD2 LEU A 32 -15.252 -4.977 -3.390 1.00 33.34 C ATOM 0 H LEU A 32 -13.473 -3.112 -6.194 1.00 23.22 H new ATOM 0 HA LEU A 32 -13.754 -2.703 -3.359 1.00 45.11 H new ATOM 0 HB2 LEU A 32 -12.126 -4.727 -4.938 1.00 13.55 H new ATOM 0 HB3 LEU A 32 -12.401 -4.781 -3.208 1.00 13.55 H new ATOM 0 HG LEU A 32 -14.506 -5.098 -5.384 1.00 65.33 H new ATOM 0 HD11 LEU A 32 -14.724 -7.417 -4.506 1.00 43.24 H new ATOM 0 HD12 LEU A 32 -13.088 -7.085 -5.122 1.00 43.24 H new ATOM 0 HD13 LEU A 32 -13.393 -7.098 -3.369 1.00 43.24 H new ATOM 0 HD21 LEU A 32 -16.128 -5.595 -3.587 1.00 33.34 H new ATOM 0 HD22 LEU A 32 -14.903 -5.156 -2.373 1.00 33.34 H new ATOM 0 HD23 LEU A 32 -15.517 -3.926 -3.503 1.00 33.34 H new ATOM 538 N LEU A 33 -11.020 -1.657 -4.810 1.00 50.45 N ATOM 539 CA LEU A 33 -9.853 -0.770 -4.581 1.00 31.11 C ATOM 540 C LEU A 33 -10.331 0.549 -3.962 1.00 13.11 C ATOM 541 O LEU A 33 -9.763 1.011 -2.979 1.00 25.31 O ATOM 542 CB LEU A 33 -9.031 -0.511 -5.891 1.00 12.11 C ATOM 543 CG LEU A 33 -7.897 -1.539 -6.205 1.00 21.51 C ATOM 544 CD1 LEU A 33 -8.433 -2.970 -6.319 1.00 65.51 C ATOM 545 CD2 LEU A 33 -7.116 -1.129 -7.466 1.00 72.04 C ATOM 0 H LEU A 33 -11.253 -1.791 -5.794 1.00 50.45 H new ATOM 0 HA LEU A 33 -9.177 -1.274 -3.890 1.00 31.11 H new ATOM 0 HB2 LEU A 33 -9.723 -0.496 -6.733 1.00 12.11 H new ATOM 0 HB3 LEU A 33 -8.586 0.482 -5.826 1.00 12.11 H new ATOM 0 HG LEU A 33 -7.206 -1.527 -5.362 1.00 21.51 H new ATOM 0 HD11 LEU A 33 -7.610 -3.650 -6.538 1.00 65.51 H new ATOM 0 HD12 LEU A 33 -8.902 -3.259 -5.379 1.00 65.51 H new ATOM 0 HD13 LEU A 33 -9.169 -3.020 -7.122 1.00 65.51 H new ATOM 0 HD21 LEU A 33 -6.333 -1.861 -7.663 1.00 72.04 H new ATOM 0 HD22 LEU A 33 -7.795 -1.087 -8.317 1.00 72.04 H new ATOM 0 HD23 LEU A 33 -6.666 -0.148 -7.312 1.00 72.04 H new ATOM 557 N LEU A 34 -11.413 1.105 -4.536 1.00 71.22 N ATOM 558 CA LEU A 34 -12.051 2.342 -4.042 1.00 72.22 C ATOM 559 C LEU A 34 -12.627 2.150 -2.618 1.00 51.20 C ATOM 560 O LEU A 34 -12.660 3.090 -1.827 1.00 14.52 O ATOM 561 CB LEU A 34 -13.175 2.787 -5.026 1.00 23.31 C ATOM 562 CG LEU A 34 -12.710 3.188 -6.465 1.00 55.23 C ATOM 563 CD1 LEU A 34 -13.914 3.444 -7.400 1.00 72.12 C ATOM 564 CD2 LEU A 34 -11.764 4.413 -6.427 1.00 74.55 C ATOM 0 H LEU A 34 -11.872 0.710 -5.357 1.00 71.22 H new ATOM 0 HA LEU A 34 -11.290 3.120 -3.989 1.00 72.22 H new ATOM 0 HB2 LEU A 34 -13.897 1.975 -5.112 1.00 23.31 H new ATOM 0 HB3 LEU A 34 -13.700 3.635 -4.586 1.00 23.31 H new ATOM 0 HG LEU A 34 -12.151 2.346 -6.873 1.00 55.23 H new ATOM 0 HD11 LEU A 34 -13.553 3.720 -8.391 1.00 72.12 H new ATOM 0 HD12 LEU A 34 -14.517 2.539 -7.473 1.00 72.12 H new ATOM 0 HD13 LEU A 34 -14.522 4.254 -6.997 1.00 72.12 H new ATOM 0 HD21 LEU A 34 -11.458 4.668 -7.442 1.00 74.55 H new ATOM 0 HD22 LEU A 34 -12.284 5.261 -5.981 1.00 74.55 H new ATOM 0 HD23 LEU A 34 -10.883 4.174 -5.831 1.00 74.55 H new ATOM 576 N GLN A 35 -13.082 0.925 -2.301 1.00 61.44 N ATOM 577 CA GLN A 35 -13.658 0.604 -0.976 1.00 31.04 C ATOM 578 C GLN A 35 -12.544 0.444 0.087 1.00 33.31 C ATOM 579 O GLN A 35 -12.569 1.092 1.133 1.00 52.24 O ATOM 580 CB GLN A 35 -14.524 -0.686 -1.057 1.00 54.23 C ATOM 581 CG GLN A 35 -15.390 -0.963 0.194 1.00 13.54 C ATOM 582 CD GLN A 35 -16.428 0.134 0.499 1.00 4.44 C ATOM 583 OE1 GLN A 35 -16.743 0.393 1.661 1.00 72.11 O ATOM 584 NE2 GLN A 35 -16.999 0.764 -0.526 1.00 74.34 N ATOM 0 H GLN A 35 -13.063 0.135 -2.946 1.00 61.44 H new ATOM 0 HA GLN A 35 -14.298 1.433 -0.674 1.00 31.04 H new ATOM 0 HB2 GLN A 35 -15.178 -0.614 -1.926 1.00 54.23 H new ATOM 0 HB3 GLN A 35 -13.866 -1.539 -1.223 1.00 54.23 H new ATOM 0 HG2 GLN A 35 -15.909 -1.912 0.060 1.00 13.54 H new ATOM 0 HG3 GLN A 35 -14.735 -1.078 1.058 1.00 13.54 H new ATOM 0 HE21 GLN A 35 -16.725 0.536 -1.482 1.00 74.34 H new ATOM 0 HE22 GLN A 35 -17.710 1.475 -0.355 1.00 74.34 H new ATOM 593 N GLN A 36 -11.563 -0.413 -0.221 1.00 2.33 N ATOM 594 CA GLN A 36 -10.453 -0.761 0.693 1.00 65.25 C ATOM 595 C GLN A 36 -9.356 0.322 0.733 1.00 15.00 C ATOM 596 O GLN A 36 -8.440 0.224 1.556 1.00 61.10 O ATOM 597 CB GLN A 36 -9.895 -2.163 0.325 1.00 43.34 C ATOM 598 CG GLN A 36 -10.854 -3.323 0.708 1.00 72.53 C ATOM 599 CD GLN A 36 -10.545 -4.674 0.046 1.00 2.31 C ATOM 600 OE1 GLN A 36 -10.198 -4.667 -1.234 1.00 62.04 O flip ATOM 601 NE2 GLN A 36 -10.708 -5.728 0.660 1.00 31.22 N flip ATOM 0 H GLN A 36 -11.511 -0.893 -1.120 1.00 2.33 H new ATOM 0 HA GLN A 36 -10.846 -0.804 1.709 1.00 65.25 H new ATOM 0 HB2 GLN A 36 -9.701 -2.200 -0.747 1.00 43.34 H new ATOM 0 HB3 GLN A 36 -8.939 -2.310 0.827 1.00 43.34 H new ATOM 0 HG2 GLN A 36 -10.828 -3.452 1.790 1.00 72.53 H new ATOM 0 HG3 GLN A 36 -11.872 -3.033 0.446 1.00 72.53 H new ATOM 0 HE21 GLN A 36 -10.975 -5.709 1.644 1.00 31.22 H new ATOM 0 HE22 GLN A 36 -10.576 -6.621 0.185 1.00 31.22 H new ATOM 610 N GLU A 37 -9.436 1.312 -0.195 1.00 2.14 N ATOM 611 CA GLU A 37 -8.537 2.495 -0.248 1.00 11.22 C ATOM 612 C GLU A 37 -8.315 3.120 1.147 1.00 50.44 C ATOM 613 O GLU A 37 -7.167 3.271 1.587 1.00 13.24 O ATOM 614 CB GLU A 37 -9.118 3.566 -1.220 1.00 11.43 C ATOM 615 CG GLU A 37 -8.228 4.810 -1.430 1.00 3.30 C ATOM 616 CD GLU A 37 -8.805 5.801 -2.454 1.00 1.51 C ATOM 617 OE1 GLU A 37 -9.288 6.884 -2.045 1.00 51.14 O ATOM 618 OE2 GLU A 37 -8.815 5.482 -3.663 1.00 0.32 O ATOM 0 H GLU A 37 -10.136 1.310 -0.937 1.00 2.14 H new ATOM 0 HA GLU A 37 -7.569 2.151 -0.614 1.00 11.22 H new ATOM 0 HB2 GLU A 37 -9.295 3.098 -2.188 1.00 11.43 H new ATOM 0 HB3 GLU A 37 -10.087 3.891 -0.841 1.00 11.43 H new ATOM 0 HG2 GLU A 37 -8.096 5.319 -0.476 1.00 3.30 H new ATOM 0 HG3 GLU A 37 -7.240 4.490 -1.760 1.00 3.30 H new ATOM 625 N VAL A 38 -9.435 3.404 1.851 1.00 21.31 N ATOM 626 CA VAL A 38 -9.415 3.997 3.204 1.00 33.00 C ATOM 627 C VAL A 38 -8.595 3.136 4.191 1.00 60.11 C ATOM 628 O VAL A 38 -7.740 3.659 4.897 1.00 25.21 O ATOM 629 CB VAL A 38 -10.880 4.233 3.761 1.00 53.03 C ATOM 630 CG1 VAL A 38 -11.722 2.939 3.748 1.00 73.55 C ATOM 631 CG2 VAL A 38 -10.865 4.866 5.180 1.00 35.42 C ATOM 0 H VAL A 38 -10.375 3.228 1.496 1.00 21.31 H new ATOM 0 HA VAL A 38 -8.927 4.968 3.115 1.00 33.00 H new ATOM 0 HB VAL A 38 -11.356 4.942 3.084 1.00 53.03 H new ATOM 0 HG11 VAL A 38 -12.718 3.149 4.138 1.00 73.55 H new ATOM 0 HG12 VAL A 38 -11.803 2.568 2.726 1.00 73.55 H new ATOM 0 HG13 VAL A 38 -11.240 2.185 4.370 1.00 73.55 H new ATOM 0 HG21 VAL A 38 -11.889 5.011 5.525 1.00 35.42 H new ATOM 0 HG22 VAL A 38 -10.341 4.203 5.869 1.00 35.42 H new ATOM 0 HG23 VAL A 38 -10.355 5.828 5.144 1.00 35.42 H new ATOM 641 N SER A 39 -8.808 1.808 4.161 1.00 25.44 N ATOM 642 CA SER A 39 -8.199 0.866 5.113 1.00 73.30 C ATOM 643 C SER A 39 -6.685 0.700 4.875 1.00 21.54 C ATOM 644 O SER A 39 -5.899 0.633 5.832 1.00 25.30 O ATOM 645 CB SER A 39 -8.905 -0.495 5.002 1.00 73.33 C ATOM 646 OG SER A 39 -10.311 -0.339 5.121 1.00 1.45 O ATOM 0 H SER A 39 -9.410 1.358 3.472 1.00 25.44 H new ATOM 0 HA SER A 39 -8.324 1.271 6.117 1.00 73.30 H new ATOM 0 HB2 SER A 39 -8.665 -0.959 4.045 1.00 73.33 H new ATOM 0 HB3 SER A 39 -8.541 -1.165 5.781 1.00 73.33 H new ATOM 0 HG SER A 39 -10.745 -1.215 5.046 1.00 1.45 H new ATOM 652 N TYR A 40 -6.299 0.649 3.590 1.00 62.21 N ATOM 653 CA TYR A 40 -4.909 0.443 3.173 1.00 75.31 C ATOM 654 C TYR A 40 -4.058 1.676 3.498 1.00 71.34 C ATOM 655 O TYR A 40 -3.005 1.548 4.122 1.00 72.02 O ATOM 656 CB TYR A 40 -4.842 0.116 1.662 1.00 61.34 C ATOM 657 CG TYR A 40 -3.431 -0.241 1.149 1.00 43.13 C ATOM 658 CD1 TYR A 40 -2.826 0.463 0.107 1.00 41.23 C ATOM 659 CD2 TYR A 40 -2.707 -1.300 1.707 1.00 31.23 C ATOM 660 CE1 TYR A 40 -1.569 0.125 -0.358 1.00 42.24 C ATOM 661 CE2 TYR A 40 -1.451 -1.631 1.243 1.00 43.53 C ATOM 662 CZ TYR A 40 -0.884 -0.921 0.213 1.00 64.51 C ATOM 663 OH TYR A 40 0.370 -1.259 -0.248 1.00 64.25 O ATOM 0 H TYR A 40 -6.948 0.750 2.810 1.00 62.21 H new ATOM 0 HA TYR A 40 -4.505 -0.404 3.727 1.00 75.31 H new ATOM 0 HB2 TYR A 40 -5.513 -0.717 1.453 1.00 61.34 H new ATOM 0 HB3 TYR A 40 -5.213 0.973 1.100 1.00 61.34 H new ATOM 0 HD1 TYR A 40 -3.352 1.290 -0.346 1.00 41.23 H new ATOM 0 HD2 TYR A 40 -3.140 -1.869 2.516 1.00 31.23 H new ATOM 0 HE1 TYR A 40 -1.125 0.682 -1.170 1.00 42.24 H new ATOM 0 HE2 TYR A 40 -0.911 -2.452 1.691 1.00 43.53 H new ATOM 0 HH TYR A 40 0.851 -0.447 -0.513 1.00 64.25 H new ATOM 673 N LEU A 41 -4.552 2.864 3.094 1.00 62.42 N ATOM 674 CA LEU A 41 -3.846 4.139 3.317 1.00 74.23 C ATOM 675 C LEU A 41 -3.807 4.493 4.817 1.00 53.04 C ATOM 676 O LEU A 41 -2.846 5.110 5.287 1.00 54.02 O ATOM 677 CB LEU A 41 -4.504 5.280 2.490 1.00 25.35 C ATOM 678 CG LEU A 41 -4.535 5.078 0.937 1.00 31.10 C ATOM 679 CD1 LEU A 41 -5.156 6.303 0.228 1.00 12.13 C ATOM 680 CD2 LEU A 41 -3.131 4.751 0.374 1.00 13.00 C ATOM 0 H LEU A 41 -5.443 2.965 2.609 1.00 62.42 H new ATOM 0 HA LEU A 41 -2.817 4.023 2.977 1.00 74.23 H new ATOM 0 HB2 LEU A 41 -5.528 5.410 2.839 1.00 25.35 H new ATOM 0 HB3 LEU A 41 -3.974 6.208 2.704 1.00 25.35 H new ATOM 0 HG LEU A 41 -5.172 4.217 0.732 1.00 31.10 H new ATOM 0 HD11 LEU A 41 -5.164 6.135 -0.849 1.00 12.13 H new ATOM 0 HD12 LEU A 41 -6.177 6.448 0.581 1.00 12.13 H new ATOM 0 HD13 LEU A 41 -4.565 7.191 0.452 1.00 12.13 H new ATOM 0 HD21 LEU A 41 -3.194 4.618 -0.706 1.00 13.00 H new ATOM 0 HD22 LEU A 41 -2.449 5.571 0.599 1.00 13.00 H new ATOM 0 HD23 LEU A 41 -2.760 3.834 0.832 1.00 13.00 H new ATOM 692 N GLN A 42 -4.855 4.079 5.564 1.00 42.44 N ATOM 693 CA GLN A 42 -4.917 4.250 7.031 1.00 52.13 C ATOM 694 C GLN A 42 -3.850 3.387 7.723 1.00 12.40 C ATOM 695 O GLN A 42 -3.152 3.866 8.615 1.00 1.55 O ATOM 696 CB GLN A 42 -6.326 3.882 7.559 1.00 73.20 C ATOM 697 CG GLN A 42 -6.555 4.110 9.069 1.00 12.44 C ATOM 698 CD GLN A 42 -8.000 3.848 9.530 1.00 41.32 C ATOM 699 OE1 GLN A 42 -8.985 4.169 8.694 1.00 1.35 O flip ATOM 700 NE2 GLN A 42 -8.230 3.397 10.654 1.00 31.14 N flip ATOM 0 H GLN A 42 -5.676 3.620 5.169 1.00 42.44 H new ATOM 0 HA GLN A 42 -4.719 5.297 7.261 1.00 52.13 H new ATOM 0 HB2 GLN A 42 -7.064 4.463 7.006 1.00 73.20 H new ATOM 0 HB3 GLN A 42 -6.515 2.832 7.336 1.00 73.20 H new ATOM 0 HG2 GLN A 42 -5.882 3.461 9.630 1.00 12.44 H new ATOM 0 HG3 GLN A 42 -6.286 5.137 9.316 1.00 12.44 H new ATOM 0 HE21 GLN A 42 -7.457 3.159 11.276 1.00 31.14 H new ATOM 0 HE22 GLN A 42 -9.193 3.262 10.962 1.00 31.14 H new ATOM 709 N SER A 43 -3.720 2.119 7.271 1.00 75.23 N ATOM 710 CA SER A 43 -2.764 1.148 7.842 1.00 54.40 C ATOM 711 C SER A 43 -1.310 1.593 7.550 1.00 62.22 C ATOM 712 O SER A 43 -0.422 1.475 8.410 1.00 42.22 O ATOM 713 CB SER A 43 -3.049 -0.267 7.288 1.00 33.21 C ATOM 714 OG SER A 43 -2.360 -1.270 8.022 1.00 62.34 O ATOM 0 H SER A 43 -4.274 1.743 6.502 1.00 75.23 H new ATOM 0 HA SER A 43 -2.889 1.114 8.924 1.00 54.40 H new ATOM 0 HB2 SER A 43 -4.121 -0.462 7.324 1.00 33.21 H new ATOM 0 HB3 SER A 43 -2.751 -0.314 6.241 1.00 33.21 H new ATOM 0 HG SER A 43 -3.008 -1.893 8.413 1.00 62.34 H new ATOM 720 N ILE A 44 -1.111 2.132 6.332 1.00 63.10 N ATOM 721 CA ILE A 44 0.141 2.770 5.889 1.00 31.11 C ATOM 722 C ILE A 44 0.510 3.942 6.821 1.00 63.44 C ATOM 723 O ILE A 44 1.628 4.007 7.354 1.00 25.13 O ATOM 724 CB ILE A 44 -0.013 3.263 4.386 1.00 3.51 C ATOM 725 CG1 ILE A 44 0.127 2.058 3.400 1.00 62.51 C ATOM 726 CG2 ILE A 44 0.952 4.419 4.025 1.00 13.30 C ATOM 727 CD1 ILE A 44 -0.038 2.403 1.928 1.00 63.14 C ATOM 0 H ILE A 44 -1.834 2.135 5.613 1.00 63.10 H new ATOM 0 HA ILE A 44 0.950 2.041 5.936 1.00 31.11 H new ATOM 0 HB ILE A 44 -1.016 3.677 4.285 1.00 3.51 H new ATOM 0 HG12 ILE A 44 1.108 1.605 3.543 1.00 62.51 H new ATOM 0 HG13 ILE A 44 -0.614 1.304 3.665 1.00 62.51 H new ATOM 0 HG21 ILE A 44 0.798 4.710 2.986 1.00 13.30 H new ATOM 0 HG22 ILE A 44 0.756 5.272 4.674 1.00 13.30 H new ATOM 0 HG23 ILE A 44 1.982 4.089 4.160 1.00 13.30 H new ATOM 0 HD11 ILE A 44 0.077 1.500 1.328 1.00 63.14 H new ATOM 0 HD12 ILE A 44 -1.029 2.826 1.762 1.00 63.14 H new ATOM 0 HD13 ILE A 44 0.720 3.131 1.638 1.00 63.14 H new ATOM 739 N GLU A 45 -0.477 4.829 7.043 1.00 23.33 N ATOM 740 CA GLU A 45 -0.303 6.058 7.825 1.00 15.45 C ATOM 741 C GLU A 45 0.040 5.726 9.283 1.00 2.30 C ATOM 742 O GLU A 45 0.930 6.341 9.860 1.00 45.13 O ATOM 743 CB GLU A 45 -1.592 6.919 7.768 1.00 74.02 C ATOM 744 CG GLU A 45 -1.469 8.300 8.449 1.00 30.32 C ATOM 745 CD GLU A 45 -2.814 9.019 8.586 1.00 74.34 C ATOM 746 OE1 GLU A 45 -3.309 9.588 7.582 1.00 74.14 O ATOM 747 OE2 GLU A 45 -3.394 9.007 9.696 1.00 31.22 O ATOM 0 H GLU A 45 -1.423 4.709 6.681 1.00 23.33 H new ATOM 0 HA GLU A 45 0.522 6.625 7.393 1.00 15.45 H new ATOM 0 HB2 GLU A 45 -1.870 7.066 6.724 1.00 74.02 H new ATOM 0 HB3 GLU A 45 -2.404 6.366 8.240 1.00 74.02 H new ATOM 0 HG2 GLU A 45 -1.028 8.174 9.438 1.00 30.32 H new ATOM 0 HG3 GLU A 45 -0.786 8.924 7.873 1.00 30.32 H new ATOM 754 N THR A 46 -0.652 4.718 9.850 1.00 72.55 N ATOM 755 CA THR A 46 -0.519 4.365 11.274 1.00 31.32 C ATOM 756 C THR A 46 0.757 3.533 11.547 1.00 23.13 C ATOM 757 O THR A 46 1.270 3.563 12.670 1.00 45.24 O ATOM 758 CB THR A 46 -1.804 3.635 11.825 1.00 12.11 C ATOM 759 OG1 THR A 46 -1.730 3.437 13.253 1.00 22.12 O ATOM 760 CG2 THR A 46 -2.042 2.277 11.164 1.00 21.13 C ATOM 0 H THR A 46 -1.312 4.132 9.338 1.00 72.55 H new ATOM 0 HA THR A 46 -0.420 5.304 11.818 1.00 31.32 H new ATOM 0 HB THR A 46 -2.637 4.295 11.582 1.00 12.11 H new ATOM 0 HG1 THR A 46 -2.542 2.984 13.563 1.00 22.12 H new ATOM 0 HG21 THR A 46 -2.939 1.821 11.582 1.00 21.13 H new ATOM 0 HG22 THR A 46 -2.171 2.413 10.090 1.00 21.13 H new ATOM 0 HG23 THR A 46 -1.186 1.628 11.348 1.00 21.13 H new ATOM 768 N VAL A 47 1.279 2.791 10.533 1.00 44.44 N ATOM 769 CA VAL A 47 2.560 2.055 10.691 1.00 31.02 C ATOM 770 C VAL A 47 3.761 3.010 10.530 1.00 13.25 C ATOM 771 O VAL A 47 4.810 2.821 11.155 1.00 33.24 O ATOM 772 CB VAL A 47 2.701 0.841 9.690 1.00 40.02 C ATOM 773 CG1 VAL A 47 3.179 1.274 8.281 1.00 33.10 C ATOM 774 CG2 VAL A 47 3.622 -0.249 10.264 1.00 15.35 C ATOM 0 H VAL A 47 0.842 2.688 9.617 1.00 44.44 H new ATOM 0 HA VAL A 47 2.553 1.642 11.700 1.00 31.02 H new ATOM 0 HB VAL A 47 1.700 0.426 9.571 1.00 40.02 H new ATOM 0 HG11 VAL A 47 3.257 0.397 7.638 1.00 33.10 H new ATOM 0 HG12 VAL A 47 2.462 1.975 7.853 1.00 33.10 H new ATOM 0 HG13 VAL A 47 4.154 1.754 8.359 1.00 33.10 H new ATOM 0 HG21 VAL A 47 3.700 -1.071 9.553 1.00 15.35 H new ATOM 0 HG22 VAL A 47 4.612 0.169 10.445 1.00 15.35 H new ATOM 0 HG23 VAL A 47 3.208 -0.618 11.202 1.00 15.35 H new ATOM 784 N MET A 48 3.589 4.025 9.666 1.00 24.34 N ATOM 785 CA MET A 48 4.617 5.038 9.400 1.00 10.12 C ATOM 786 C MET A 48 4.676 6.029 10.573 1.00 3.51 C ATOM 787 O MET A 48 5.755 6.494 10.956 1.00 34.11 O ATOM 788 CB MET A 48 4.303 5.733 8.053 1.00 61.10 C ATOM 789 CG MET A 48 5.379 6.699 7.546 1.00 11.13 C ATOM 790 SD MET A 48 5.322 6.892 5.750 1.00 10.24 S ATOM 791 CE MET A 48 5.736 5.231 5.194 1.00 5.11 C ATOM 0 H MET A 48 2.731 4.164 9.133 1.00 24.34 H new ATOM 0 HA MET A 48 5.602 4.578 9.315 1.00 10.12 H new ATOM 0 HB2 MET A 48 4.142 4.965 7.296 1.00 61.10 H new ATOM 0 HB3 MET A 48 3.366 6.281 8.156 1.00 61.10 H new ATOM 0 HG2 MET A 48 5.246 7.672 8.020 1.00 11.13 H new ATOM 0 HG3 MET A 48 6.363 6.333 7.840 1.00 11.13 H new ATOM 0 HE1 MET A 48 6.199 5.282 4.209 1.00 5.11 H new ATOM 0 HE2 MET A 48 6.431 4.774 5.899 1.00 5.11 H new ATOM 0 HE3 MET A 48 4.829 4.630 5.137 1.00 5.11 H new ATOM 801 N GLU A 49 3.494 6.297 11.157 1.00 73.35 N ATOM 802 CA GLU A 49 3.360 7.080 12.394 1.00 61.34 C ATOM 803 C GLU A 49 3.935 6.296 13.587 1.00 14.53 C ATOM 804 O GLU A 49 4.438 6.900 14.542 1.00 54.35 O ATOM 805 CB GLU A 49 1.872 7.442 12.647 1.00 14.21 C ATOM 806 CG GLU A 49 1.614 8.367 13.860 1.00 43.14 C ATOM 807 CD GLU A 49 2.324 9.733 13.761 1.00 53.23 C ATOM 808 OE1 GLU A 49 3.236 10.021 14.571 1.00 73.15 O ATOM 809 OE2 GLU A 49 1.973 10.525 12.859 1.00 65.01 O ATOM 0 H GLU A 49 2.603 5.974 10.781 1.00 73.35 H new ATOM 0 HA GLU A 49 3.925 8.005 12.283 1.00 61.34 H new ATOM 0 HB2 GLU A 49 1.475 7.923 11.753 1.00 14.21 H new ATOM 0 HB3 GLU A 49 1.310 6.519 12.789 1.00 14.21 H new ATOM 0 HG2 GLU A 49 0.541 8.532 13.958 1.00 43.14 H new ATOM 0 HG3 GLU A 49 1.943 7.861 14.768 1.00 43.14 H new ATOM 923 N THR A 57 15.009 -6.924 16.956 1.00 3.42 N ATOM 924 CA THR A 57 15.589 -8.282 16.918 1.00 24.31 C ATOM 925 C THR A 57 15.307 -8.996 15.581 1.00 42.12 C ATOM 926 O THR A 57 14.366 -8.631 14.866 1.00 25.35 O ATOM 927 CB THR A 57 15.040 -9.141 18.106 1.00 42.44 C ATOM 928 OG1 THR A 57 15.659 -10.438 18.124 1.00 23.23 O ATOM 929 CG2 THR A 57 13.515 -9.301 18.035 1.00 63.32 C ATOM 0 HA THR A 57 16.669 -8.174 17.014 1.00 24.31 H new ATOM 0 HB THR A 57 15.286 -8.610 19.025 1.00 42.44 H new ATOM 0 HG1 THR A 57 15.304 -10.959 18.874 1.00 23.23 H new ATOM 0 HG21 THR A 57 13.173 -9.903 18.877 1.00 63.32 H new ATOM 0 HG22 THR A 57 13.044 -8.319 18.076 1.00 63.32 H new ATOM 0 HG23 THR A 57 13.244 -9.795 17.102 1.00 63.32 H new ATOM 937 N ARG A 58 16.110 -10.049 15.298 1.00 53.24 N ATOM 938 CA ARG A 58 16.053 -10.829 14.044 1.00 3.12 C ATOM 939 C ARG A 58 14.648 -11.399 13.759 1.00 62.44 C ATOM 940 O ARG A 58 14.276 -11.536 12.601 1.00 72.41 O ATOM 941 CB ARG A 58 17.108 -11.982 14.066 1.00 41.22 C ATOM 942 CG ARG A 58 18.584 -11.523 13.966 1.00 5.31 C ATOM 943 CD ARG A 58 18.904 -10.817 12.631 1.00 32.04 C ATOM 944 NE ARG A 58 20.336 -10.468 12.499 1.00 71.21 N ATOM 945 CZ ARG A 58 20.871 -9.724 11.510 1.00 2.11 C ATOM 946 NH1 ARG A 58 20.108 -9.220 10.532 1.00 13.32 N ATOM 947 NH2 ARG A 58 22.179 -9.487 11.508 1.00 72.24 N ATOM 0 H ARG A 58 16.824 -10.383 15.945 1.00 53.24 H new ATOM 0 HA ARG A 58 16.288 -10.137 13.235 1.00 3.12 H new ATOM 0 HB2 ARG A 58 16.982 -12.551 14.987 1.00 41.22 H new ATOM 0 HB3 ARG A 58 16.898 -12.662 13.240 1.00 41.22 H new ATOM 0 HG2 ARG A 58 18.806 -10.846 14.791 1.00 5.31 H new ATOM 0 HG3 ARG A 58 19.237 -12.388 14.079 1.00 5.31 H new ATOM 0 HD2 ARG A 58 18.614 -11.465 11.804 1.00 32.04 H new ATOM 0 HD3 ARG A 58 18.304 -9.910 12.551 1.00 32.04 H new ATOM 0 HE ARG A 58 20.971 -10.819 13.216 1.00 71.21 H new ATOM 0 HH11 ARG A 58 19.103 -9.397 10.527 1.00 13.32 H new ATOM 0 HH12 ARG A 58 20.531 -8.659 9.792 1.00 13.32 H new ATOM 0 HH21 ARG A 58 22.767 -9.867 12.250 1.00 72.24 H new ATOM 0 HH22 ARG A 58 22.594 -8.925 10.765 1.00 72.24 H new ATOM 961 N SER A 59 13.878 -11.707 14.820 1.00 73.33 N ATOM 962 CA SER A 59 12.508 -12.241 14.687 1.00 70.31 C ATOM 963 C SER A 59 11.555 -11.189 14.071 1.00 54.10 C ATOM 964 O SER A 59 10.971 -11.408 12.990 1.00 73.10 O ATOM 965 CB SER A 59 11.992 -12.697 16.073 1.00 2.41 C ATOM 966 OG SER A 59 12.860 -13.665 16.645 1.00 12.50 O ATOM 0 H SER A 59 14.184 -11.594 15.786 1.00 73.33 H new ATOM 0 HA SER A 59 12.532 -13.097 14.013 1.00 70.31 H new ATOM 0 HB2 SER A 59 11.913 -11.836 16.737 1.00 2.41 H new ATOM 0 HB3 SER A 59 10.990 -13.115 15.973 1.00 2.41 H new ATOM 0 HG SER A 59 12.515 -13.937 17.521 1.00 12.50 H new ATOM 972 N ILE A 60 11.457 -10.022 14.751 1.00 22.11 N ATOM 973 CA ILE A 60 10.563 -8.921 14.346 1.00 2.33 C ATOM 974 C ILE A 60 11.003 -8.387 12.972 1.00 34.03 C ATOM 975 O ILE A 60 10.177 -8.165 12.102 1.00 23.34 O ATOM 976 CB ILE A 60 10.553 -7.748 15.401 1.00 53.32 C ATOM 977 CG1 ILE A 60 10.199 -8.276 16.825 1.00 74.34 C ATOM 978 CG2 ILE A 60 9.573 -6.615 14.984 1.00 44.21 C ATOM 979 CD1 ILE A 60 10.321 -7.234 17.934 1.00 74.53 C ATOM 0 H ILE A 60 11.996 -9.822 15.593 1.00 22.11 H new ATOM 0 HA ILE A 60 9.548 -9.315 14.289 1.00 2.33 H new ATOM 0 HB ILE A 60 11.559 -7.330 15.429 1.00 53.32 H new ATOM 0 HG12 ILE A 60 9.178 -8.659 16.814 1.00 74.34 H new ATOM 0 HG13 ILE A 60 10.852 -9.117 17.060 1.00 74.34 H new ATOM 0 HG21 ILE A 60 9.592 -5.824 15.733 1.00 44.21 H new ATOM 0 HG22 ILE A 60 9.876 -6.208 14.019 1.00 44.21 H new ATOM 0 HG23 ILE A 60 8.563 -7.018 14.907 1.00 44.21 H new ATOM 0 HD11 ILE A 60 10.056 -7.687 18.890 1.00 74.53 H new ATOM 0 HD12 ILE A 60 11.347 -6.868 17.978 1.00 74.53 H new ATOM 0 HD13 ILE A 60 9.647 -6.402 17.728 1.00 74.53 H new ATOM 991 N GLN A 61 12.330 -8.244 12.801 1.00 5.12 N ATOM 992 CA GLN A 61 12.949 -7.780 11.548 1.00 72.51 C ATOM 993 C GLN A 61 12.630 -8.737 10.386 1.00 41.24 C ATOM 994 O GLN A 61 12.343 -8.286 9.286 1.00 14.21 O ATOM 995 CB GLN A 61 14.486 -7.633 11.730 1.00 2.12 C ATOM 996 CG GLN A 61 15.241 -7.151 10.477 1.00 54.02 C ATOM 997 CD GLN A 61 16.738 -6.947 10.720 1.00 63.03 C ATOM 998 OE1 GLN A 61 17.535 -7.878 10.589 1.00 64.35 O ATOM 999 NE2 GLN A 61 17.134 -5.732 11.086 1.00 35.34 N ATOM 0 H GLN A 61 13.007 -8.449 13.535 1.00 5.12 H new ATOM 0 HA GLN A 61 12.531 -6.804 11.301 1.00 72.51 H new ATOM 0 HB2 GLN A 61 14.676 -6.933 12.543 1.00 2.12 H new ATOM 0 HB3 GLN A 61 14.895 -8.596 12.036 1.00 2.12 H new ATOM 0 HG2 GLN A 61 15.105 -7.878 9.676 1.00 54.02 H new ATOM 0 HG3 GLN A 61 14.803 -6.213 10.135 1.00 54.02 H new ATOM 0 HE21 GLN A 61 16.451 -4.981 11.186 1.00 35.34 H new ATOM 0 HE22 GLN A 61 18.121 -5.550 11.267 1.00 35.34 H new ATOM 1008 N ASP A 62 12.649 -10.059 10.659 1.00 45.24 N ATOM 1009 CA ASP A 62 12.357 -11.100 9.646 1.00 52.23 C ATOM 1010 C ASP A 62 10.913 -10.978 9.137 1.00 51.14 C ATOM 1011 O ASP A 62 10.668 -10.879 7.926 1.00 3.21 O ATOM 1012 CB ASP A 62 12.593 -12.514 10.244 1.00 71.10 C ATOM 1013 CG ASP A 62 12.404 -13.656 9.229 1.00 63.35 C ATOM 1014 OD1 ASP A 62 13.386 -14.017 8.536 1.00 23.32 O ATOM 1015 OD2 ASP A 62 11.282 -14.202 9.121 1.00 20.34 O ATOM 0 H ASP A 62 12.866 -10.435 11.582 1.00 45.24 H new ATOM 0 HA ASP A 62 13.033 -10.953 8.803 1.00 52.23 H new ATOM 0 HB2 ASP A 62 13.604 -12.563 10.649 1.00 71.10 H new ATOM 0 HB3 ASP A 62 11.908 -12.665 11.078 1.00 71.10 H new ATOM 1020 N MET A 63 9.965 -10.958 10.089 1.00 51.50 N ATOM 1021 CA MET A 63 8.523 -10.945 9.777 1.00 13.43 C ATOM 1022 C MET A 63 8.097 -9.617 9.113 1.00 65.31 C ATOM 1023 O MET A 63 7.466 -9.627 8.041 1.00 51.40 O ATOM 1024 CB MET A 63 7.711 -11.235 11.062 1.00 22.45 C ATOM 1025 CG MET A 63 7.983 -12.629 11.657 1.00 30.31 C ATOM 1026 SD MET A 63 7.126 -12.910 13.224 1.00 73.25 S ATOM 1027 CE MET A 63 7.961 -11.753 14.307 1.00 70.01 C ATOM 0 H MET A 63 10.172 -10.950 11.088 1.00 51.50 H new ATOM 0 HA MET A 63 8.313 -11.731 9.052 1.00 13.43 H new ATOM 0 HB2 MET A 63 7.945 -10.477 11.810 1.00 22.45 H new ATOM 0 HB3 MET A 63 6.648 -11.145 10.839 1.00 22.45 H new ATOM 0 HG2 MET A 63 7.675 -13.390 10.940 1.00 30.31 H new ATOM 0 HG3 MET A 63 9.056 -12.750 11.809 1.00 30.31 H new ATOM 0 HE1 MET A 63 7.434 -11.701 15.260 1.00 70.01 H new ATOM 0 HE2 MET A 63 8.985 -12.087 14.476 1.00 70.01 H new ATOM 0 HE3 MET A 63 7.973 -10.766 13.845 1.00 70.01 H new ATOM 1037 N VAL A 64 8.497 -8.488 9.732 1.00 14.20 N ATOM 1038 CA VAL A 64 8.205 -7.129 9.233 1.00 32.34 C ATOM 1039 C VAL A 64 8.795 -6.916 7.831 1.00 63.33 C ATOM 1040 O VAL A 64 8.080 -6.473 6.932 1.00 31.20 O ATOM 1041 CB VAL A 64 8.726 -6.032 10.246 1.00 54.45 C ATOM 1042 CG1 VAL A 64 8.781 -4.620 9.622 1.00 1.33 C ATOM 1043 CG2 VAL A 64 7.857 -6.028 11.529 1.00 14.44 C ATOM 0 H VAL A 64 9.035 -8.494 10.598 1.00 14.20 H new ATOM 0 HA VAL A 64 7.123 -7.025 9.155 1.00 32.34 H new ATOM 0 HB VAL A 64 9.750 -6.299 10.506 1.00 54.45 H new ATOM 0 HG11 VAL A 64 9.146 -3.909 10.363 1.00 1.33 H new ATOM 0 HG12 VAL A 64 9.454 -4.627 8.764 1.00 1.33 H new ATOM 0 HG13 VAL A 64 7.783 -4.326 9.298 1.00 1.33 H new ATOM 0 HG21 VAL A 64 8.227 -5.268 12.217 1.00 14.44 H new ATOM 0 HG22 VAL A 64 6.822 -5.807 11.267 1.00 14.44 H new ATOM 0 HG23 VAL A 64 7.909 -7.006 12.007 1.00 14.44 H new ATOM 1053 N ALA A 65 10.083 -7.284 7.640 1.00 71.22 N ATOM 1054 CA ALA A 65 10.758 -7.141 6.333 1.00 41.10 C ATOM 1055 C ALA A 65 10.141 -8.074 5.282 1.00 21.32 C ATOM 1056 O ALA A 65 10.190 -7.771 4.091 1.00 34.24 O ATOM 1057 CB ALA A 65 12.263 -7.376 6.438 1.00 61.13 C ATOM 0 H ALA A 65 10.672 -7.680 8.372 1.00 71.22 H new ATOM 0 HA ALA A 65 10.606 -6.111 6.011 1.00 41.10 H new ATOM 0 HB1 ALA A 65 12.719 -7.261 5.455 1.00 61.13 H new ATOM 0 HB2 ALA A 65 12.697 -6.651 7.126 1.00 61.13 H new ATOM 0 HB3 ALA A 65 12.449 -8.384 6.808 1.00 61.13 H new ATOM 1063 N GLY A 66 9.566 -9.212 5.733 1.00 12.14 N ATOM 1064 CA GLY A 66 8.781 -10.089 4.853 1.00 64.01 C ATOM 1065 C GLY A 66 7.579 -9.359 4.265 1.00 61.32 C ATOM 1066 O GLY A 66 7.423 -9.272 3.033 1.00 1.44 O ATOM 0 H GLY A 66 9.634 -9.538 6.697 1.00 12.14 H new ATOM 0 HA2 GLY A 66 9.414 -10.458 4.046 1.00 64.01 H new ATOM 0 HA3 GLY A 66 8.441 -10.959 5.414 1.00 64.01 H new ATOM 1070 N TYR A 67 6.780 -8.760 5.170 1.00 63.45 N ATOM 1071 CA TYR A 67 5.615 -7.940 4.800 1.00 50.42 C ATOM 1072 C TYR A 67 6.022 -6.728 3.934 1.00 5.43 C ATOM 1073 O TYR A 67 5.277 -6.317 3.050 1.00 33.34 O ATOM 1074 CB TYR A 67 4.893 -7.428 6.061 1.00 4.43 C ATOM 1075 CG TYR A 67 4.372 -8.514 7.019 1.00 1.23 C ATOM 1076 CD1 TYR A 67 4.600 -8.420 8.394 1.00 70.50 C ATOM 1077 CD2 TYR A 67 3.631 -9.611 6.561 1.00 2.41 C ATOM 1078 CE1 TYR A 67 4.115 -9.362 9.271 1.00 12.43 C ATOM 1079 CE2 TYR A 67 3.147 -10.565 7.444 1.00 51.22 C ATOM 1080 CZ TYR A 67 3.392 -10.429 8.800 1.00 51.13 C ATOM 1081 OH TYR A 67 2.905 -11.369 9.691 1.00 63.13 O ATOM 0 H TYR A 67 6.926 -8.832 6.177 1.00 63.45 H new ATOM 0 HA TYR A 67 4.947 -8.578 4.220 1.00 50.42 H new ATOM 0 HB2 TYR A 67 5.577 -6.782 6.611 1.00 4.43 H new ATOM 0 HB3 TYR A 67 4.051 -6.810 5.749 1.00 4.43 H new ATOM 0 HD1 TYR A 67 5.171 -7.587 8.778 1.00 70.50 H new ATOM 0 HD2 TYR A 67 3.434 -9.716 5.504 1.00 2.41 H new ATOM 0 HE1 TYR A 67 4.303 -9.262 10.330 1.00 12.43 H new ATOM 0 HE2 TYR A 67 2.582 -11.409 7.076 1.00 51.22 H new ATOM 0 HH TYR A 67 2.414 -12.061 9.201 1.00 63.13 H new ATOM 1091 N ILE A 68 7.220 -6.183 4.223 1.00 55.31 N ATOM 1092 CA ILE A 68 7.810 -5.028 3.524 1.00 23.35 C ATOM 1093 C ILE A 68 8.097 -5.362 2.050 1.00 35.54 C ATOM 1094 O ILE A 68 7.693 -4.612 1.163 1.00 11.01 O ATOM 1095 CB ILE A 68 9.128 -4.539 4.266 1.00 63.20 C ATOM 1096 CG1 ILE A 68 8.757 -3.714 5.543 1.00 14.11 C ATOM 1097 CG2 ILE A 68 10.102 -3.765 3.342 1.00 64.32 C ATOM 1098 CD1 ILE A 68 9.939 -3.194 6.350 1.00 55.24 C ATOM 0 H ILE A 68 7.817 -6.544 4.967 1.00 55.31 H new ATOM 0 HA ILE A 68 7.087 -4.213 3.544 1.00 23.35 H new ATOM 0 HB ILE A 68 9.672 -5.432 4.573 1.00 63.20 H new ATOM 0 HG12 ILE A 68 8.143 -2.865 5.241 1.00 14.11 H new ATOM 0 HG13 ILE A 68 8.142 -4.337 6.192 1.00 14.11 H new ATOM 0 HG21 ILE A 68 10.980 -3.461 3.912 1.00 64.32 H new ATOM 0 HG22 ILE A 68 10.410 -4.408 2.518 1.00 64.32 H new ATOM 0 HG23 ILE A 68 9.602 -2.881 2.946 1.00 64.32 H new ATOM 0 HD11 ILE A 68 9.574 -2.637 7.213 1.00 55.24 H new ATOM 0 HD12 ILE A 68 10.545 -4.034 6.691 1.00 55.24 H new ATOM 0 HD13 ILE A 68 10.546 -2.539 5.725 1.00 55.24 H new ATOM 1110 N LYS A 69 8.781 -6.496 1.798 1.00 73.21 N ATOM 1111 CA LYS A 69 9.146 -6.906 0.427 1.00 45.21 C ATOM 1112 C LYS A 69 7.890 -7.244 -0.385 1.00 64.35 C ATOM 1113 O LYS A 69 7.776 -6.864 -1.564 1.00 11.21 O ATOM 1114 CB LYS A 69 10.125 -8.108 0.440 1.00 13.45 C ATOM 1115 CG LYS A 69 11.461 -7.833 1.160 1.00 70.34 C ATOM 1116 CD LYS A 69 12.237 -6.625 0.577 1.00 33.43 C ATOM 1117 CE LYS A 69 13.495 -6.289 1.396 1.00 61.43 C ATOM 1118 NZ LYS A 69 14.217 -5.109 0.849 1.00 32.21 N ATOM 0 H LYS A 69 9.091 -7.143 2.523 1.00 73.21 H new ATOM 0 HA LYS A 69 9.654 -6.067 -0.049 1.00 45.21 H new ATOM 0 HB2 LYS A 69 9.635 -8.955 0.920 1.00 13.45 H new ATOM 0 HB3 LYS A 69 10.334 -8.402 -0.589 1.00 13.45 H new ATOM 0 HG2 LYS A 69 11.265 -7.654 2.217 1.00 70.34 H new ATOM 0 HG3 LYS A 69 12.088 -8.722 1.098 1.00 70.34 H new ATOM 0 HD2 LYS A 69 12.523 -6.842 -0.452 1.00 33.43 H new ATOM 0 HD3 LYS A 69 11.582 -5.755 0.548 1.00 33.43 H new ATOM 0 HE2 LYS A 69 13.213 -6.094 2.431 1.00 61.43 H new ATOM 0 HE3 LYS A 69 14.163 -7.151 1.405 1.00 61.43 H new ATOM 0 HZ1 LYS A 69 15.058 -4.917 1.430 1.00 32.21 H new ATOM 0 HZ2 LYS A 69 14.509 -5.304 -0.130 1.00 32.21 H new ATOM 0 HZ3 LYS A 69 13.589 -4.280 0.864 1.00 32.21 H new ATOM 1132 N GLN A 70 6.939 -7.931 0.279 1.00 75.11 N ATOM 1133 CA GLN A 70 5.648 -8.293 -0.317 1.00 30.21 C ATOM 1134 C GLN A 70 4.852 -7.035 -0.710 1.00 53.23 C ATOM 1135 O GLN A 70 4.427 -6.910 -1.859 1.00 62.23 O ATOM 1136 CB GLN A 70 4.832 -9.186 0.657 1.00 72.43 C ATOM 1137 CG GLN A 70 5.403 -10.609 0.842 1.00 1.32 C ATOM 1138 CD GLN A 70 4.609 -11.489 1.814 1.00 32.53 C ATOM 1139 OE1 GLN A 70 5.180 -12.352 2.486 1.00 61.15 O ATOM 1140 NE2 GLN A 70 3.288 -11.317 1.877 1.00 23.21 N ATOM 0 H GLN A 70 7.049 -8.248 1.242 1.00 75.11 H new ATOM 0 HA GLN A 70 5.838 -8.864 -1.226 1.00 30.21 H new ATOM 0 HB2 GLN A 70 4.787 -8.696 1.630 1.00 72.43 H new ATOM 0 HB3 GLN A 70 3.808 -9.262 0.290 1.00 72.43 H new ATOM 0 HG2 GLN A 70 5.438 -11.102 -0.129 1.00 1.32 H new ATOM 0 HG3 GLN A 70 6.430 -10.532 1.198 1.00 1.32 H new ATOM 0 HE21 GLN A 70 2.840 -10.596 1.311 1.00 23.21 H new ATOM 0 HE22 GLN A 70 2.726 -11.906 2.491 1.00 23.21 H new ATOM 1149 N THR A 71 4.708 -6.079 0.227 1.00 14.20 N ATOM 1150 CA THR A 71 3.849 -4.910 0.002 1.00 1.24 C ATOM 1151 C THR A 71 4.484 -3.916 -0.978 1.00 63.14 C ATOM 1152 O THR A 71 3.773 -3.312 -1.753 1.00 30.53 O ATOM 1153 CB THR A 71 3.419 -4.182 1.319 1.00 23.43 C ATOM 1154 OG1 THR A 71 2.322 -3.302 1.028 1.00 44.32 O ATOM 1155 CG2 THR A 71 4.544 -3.370 1.985 1.00 30.54 C ATOM 0 H THR A 71 5.171 -6.095 1.136 1.00 14.20 H new ATOM 0 HA THR A 71 2.938 -5.309 -0.445 1.00 1.24 H new ATOM 0 HB THR A 71 3.139 -4.963 2.026 1.00 23.43 H new ATOM 0 HG1 THR A 71 2.600 -2.373 1.172 1.00 44.32 H new ATOM 0 HG21 THR A 71 4.164 -2.897 2.891 1.00 30.54 H new ATOM 0 HG22 THR A 71 5.369 -4.034 2.241 1.00 30.54 H new ATOM 0 HG23 THR A 71 4.896 -2.603 1.295 1.00 30.54 H new ATOM 1163 N LEU A 72 5.825 -3.770 -0.951 1.00 32.14 N ATOM 1164 CA LEU A 72 6.546 -2.884 -1.892 1.00 33.22 C ATOM 1165 C LEU A 72 6.463 -3.432 -3.322 1.00 14.15 C ATOM 1166 O LEU A 72 6.266 -2.666 -4.255 1.00 25.32 O ATOM 1167 CB LEU A 72 8.032 -2.672 -1.462 1.00 2.32 C ATOM 1168 CG LEU A 72 8.255 -1.692 -0.265 1.00 75.11 C ATOM 1169 CD1 LEU A 72 9.749 -1.606 0.123 1.00 11.41 C ATOM 1170 CD2 LEU A 72 7.681 -0.291 -0.591 1.00 34.32 C ATOM 0 H LEU A 72 6.431 -4.254 -0.288 1.00 32.14 H new ATOM 0 HA LEU A 72 6.058 -1.909 -1.867 1.00 33.22 H new ATOM 0 HB2 LEU A 72 8.457 -3.641 -1.199 1.00 2.32 H new ATOM 0 HB3 LEU A 72 8.591 -2.301 -2.321 1.00 2.32 H new ATOM 0 HG LEU A 72 7.717 -2.088 0.596 1.00 75.11 H new ATOM 0 HD11 LEU A 72 9.869 -0.916 0.958 1.00 11.41 H new ATOM 0 HD12 LEU A 72 10.107 -2.594 0.414 1.00 11.41 H new ATOM 0 HD13 LEU A 72 10.326 -1.247 -0.729 1.00 11.41 H new ATOM 0 HD21 LEU A 72 7.847 0.376 0.255 1.00 34.32 H new ATOM 0 HD22 LEU A 72 8.180 0.111 -1.473 1.00 34.32 H new ATOM 0 HD23 LEU A 72 6.612 -0.372 -0.785 1.00 34.32 H new ATOM 1182 N ASP A 73 6.596 -4.769 -3.473 1.00 33.23 N ATOM 1183 CA ASP A 73 6.466 -5.450 -4.785 1.00 11.25 C ATOM 1184 C ASP A 73 5.039 -5.284 -5.350 1.00 11.34 C ATOM 1185 O ASP A 73 4.851 -4.845 -6.488 1.00 34.44 O ATOM 1186 CB ASP A 73 6.801 -6.959 -4.640 1.00 55.24 C ATOM 1187 CG ASP A 73 6.679 -7.746 -5.958 1.00 74.42 C ATOM 1188 OD1 ASP A 73 7.643 -7.738 -6.760 1.00 44.43 O ATOM 1189 OD2 ASP A 73 5.626 -8.379 -6.202 1.00 1.31 O ATOM 0 H ASP A 73 6.794 -5.403 -2.699 1.00 33.23 H new ATOM 0 HA ASP A 73 7.170 -4.990 -5.478 1.00 11.25 H new ATOM 0 HB2 ASP A 73 7.816 -7.062 -4.257 1.00 55.24 H new ATOM 0 HB3 ASP A 73 6.135 -7.401 -3.899 1.00 55.24 H new ATOM 1194 N ASN A 74 4.050 -5.605 -4.501 1.00 24.02 N ATOM 1195 CA ASN A 74 2.628 -5.677 -4.885 1.00 15.30 C ATOM 1196 C ASN A 74 2.035 -4.276 -5.099 1.00 11.42 C ATOM 1197 O ASN A 74 1.167 -4.096 -5.955 1.00 15.52 O ATOM 1198 CB ASN A 74 1.822 -6.464 -3.816 1.00 43.02 C ATOM 1199 CG ASN A 74 2.137 -7.976 -3.767 1.00 34.42 C ATOM 1200 OD1 ASN A 74 1.271 -8.779 -3.441 1.00 23.20 O ATOM 1201 ND2 ASN A 74 3.368 -8.393 -4.088 1.00 4.23 N ATOM 0 H ASN A 74 4.215 -5.824 -3.519 1.00 24.02 H new ATOM 0 HA ASN A 74 2.559 -6.209 -5.834 1.00 15.30 H new ATOM 0 HB2 ASN A 74 2.022 -6.031 -2.836 1.00 43.02 H new ATOM 0 HB3 ASN A 74 0.758 -6.333 -4.011 1.00 43.02 H new ATOM 0 HD21 ASN A 74 3.592 -9.388 -4.063 1.00 4.23 H new ATOM 0 HD22 ASN A 74 4.082 -7.716 -4.358 1.00 4.23 H new ATOM 1208 N GLU A 75 2.526 -3.291 -4.322 1.00 3.24 N ATOM 1209 CA GLU A 75 2.112 -1.882 -4.455 1.00 14.03 C ATOM 1210 C GLU A 75 2.844 -1.215 -5.631 1.00 62.02 C ATOM 1211 O GLU A 75 2.323 -0.286 -6.216 1.00 0.40 O ATOM 1212 CB GLU A 75 2.372 -1.085 -3.152 1.00 43.53 C ATOM 1213 CG GLU A 75 1.872 0.372 -3.180 1.00 72.00 C ATOM 1214 CD GLU A 75 2.411 1.214 -2.024 1.00 53.34 C ATOM 1215 OE1 GLU A 75 1.691 1.391 -1.013 1.00 1.15 O ATOM 1216 OE2 GLU A 75 3.560 1.694 -2.133 1.00 61.54 O ATOM 0 H GLU A 75 3.217 -3.449 -3.589 1.00 3.24 H new ATOM 0 HA GLU A 75 1.039 -1.874 -4.648 1.00 14.03 H new ATOM 0 HB2 GLU A 75 1.892 -1.604 -2.322 1.00 43.53 H new ATOM 0 HB3 GLU A 75 3.443 -1.084 -2.950 1.00 43.53 H new ATOM 0 HG2 GLU A 75 2.165 0.832 -4.124 1.00 72.00 H new ATOM 0 HG3 GLU A 75 0.782 0.376 -3.148 1.00 72.00 H new ATOM 1223 N GLN A 76 4.062 -1.688 -5.958 1.00 62.21 N ATOM 1224 CA GLN A 76 4.801 -1.241 -7.163 1.00 55.31 C ATOM 1225 C GLN A 76 4.048 -1.683 -8.430 1.00 52.41 C ATOM 1226 O GLN A 76 3.952 -0.937 -9.411 1.00 54.10 O ATOM 1227 CB GLN A 76 6.241 -1.823 -7.152 1.00 31.11 C ATOM 1228 CG GLN A 76 7.139 -1.405 -8.325 1.00 52.05 C ATOM 1229 CD GLN A 76 8.531 -2.043 -8.261 1.00 41.42 C ATOM 1230 OE1 GLN A 76 9.463 -1.482 -7.682 1.00 23.42 O ATOM 1231 NE2 GLN A 76 8.675 -3.239 -8.820 1.00 44.12 N ATOM 0 H GLN A 76 4.561 -2.384 -5.403 1.00 62.21 H new ATOM 0 HA GLN A 76 4.870 -0.153 -7.159 1.00 55.31 H new ATOM 0 HB2 GLN A 76 6.726 -1.524 -6.223 1.00 31.11 H new ATOM 0 HB3 GLN A 76 6.173 -2.911 -7.141 1.00 31.11 H new ATOM 0 HG2 GLN A 76 6.659 -1.685 -9.263 1.00 52.05 H new ATOM 0 HG3 GLN A 76 7.241 -0.320 -8.330 1.00 52.05 H new ATOM 0 HE21 GLN A 76 7.886 -3.679 -9.293 1.00 44.12 H new ATOM 0 HE22 GLN A 76 9.575 -3.717 -8.777 1.00 44.12 H new ATOM 1240 N LEU A 77 3.503 -2.910 -8.372 1.00 30.04 N ATOM 1241 CA LEU A 77 2.650 -3.470 -9.429 1.00 61.12 C ATOM 1242 C LEU A 77 1.288 -2.734 -9.488 1.00 34.24 C ATOM 1243 O LEU A 77 0.773 -2.487 -10.574 1.00 61.43 O ATOM 1244 CB LEU A 77 2.452 -4.989 -9.212 1.00 25.52 C ATOM 1245 CG LEU A 77 3.708 -5.886 -9.436 1.00 42.14 C ATOM 1246 CD1 LEU A 77 3.443 -7.337 -8.985 1.00 51.12 C ATOM 1247 CD2 LEU A 77 4.170 -5.837 -10.911 1.00 75.35 C ATOM 0 H LEU A 77 3.644 -3.543 -7.585 1.00 30.04 H new ATOM 0 HA LEU A 77 3.148 -3.323 -10.388 1.00 61.12 H new ATOM 0 HB2 LEU A 77 2.096 -5.146 -8.194 1.00 25.52 H new ATOM 0 HB3 LEU A 77 1.663 -5.331 -9.882 1.00 25.52 H new ATOM 0 HG LEU A 77 4.515 -5.489 -8.820 1.00 42.14 H new ATOM 0 HD11 LEU A 77 4.336 -7.939 -9.153 1.00 51.12 H new ATOM 0 HD12 LEU A 77 3.192 -7.348 -7.924 1.00 51.12 H new ATOM 0 HD13 LEU A 77 2.613 -7.751 -9.558 1.00 51.12 H new ATOM 0 HD21 LEU A 77 5.047 -6.471 -11.039 1.00 75.35 H new ATOM 0 HD22 LEU A 77 3.367 -6.194 -11.556 1.00 75.35 H new ATOM 0 HD23 LEU A 77 4.422 -4.811 -11.179 1.00 75.35 H new ATOM 1259 N LEU A 78 0.725 -2.395 -8.304 1.00 14.42 N ATOM 1260 CA LEU A 78 -0.496 -1.549 -8.190 1.00 73.41 C ATOM 1261 C LEU A 78 -0.265 -0.166 -8.815 1.00 22.20 C ATOM 1262 O LEU A 78 -1.040 0.284 -9.645 1.00 60.12 O ATOM 1263 CB LEU A 78 -0.928 -1.390 -6.690 1.00 44.22 C ATOM 1264 CG LEU A 78 -1.782 -2.550 -6.100 1.00 52.04 C ATOM 1265 CD1 LEU A 78 -1.954 -2.425 -4.569 1.00 50.34 C ATOM 1266 CD2 LEU A 78 -3.150 -2.602 -6.806 1.00 51.21 C ATOM 0 H LEU A 78 1.099 -2.696 -7.404 1.00 14.42 H new ATOM 0 HA LEU A 78 -1.297 -2.050 -8.734 1.00 73.41 H new ATOM 0 HB2 LEU A 78 -0.029 -1.282 -6.083 1.00 44.22 H new ATOM 0 HB3 LEU A 78 -1.493 -0.463 -6.591 1.00 44.22 H new ATOM 0 HG LEU A 78 -1.250 -3.484 -6.281 1.00 52.04 H new ATOM 0 HD11 LEU A 78 -2.556 -3.256 -4.202 1.00 50.34 H new ATOM 0 HD12 LEU A 78 -0.975 -2.447 -4.090 1.00 50.34 H new ATOM 0 HD13 LEU A 78 -2.452 -1.484 -4.334 1.00 50.34 H new ATOM 0 HD21 LEU A 78 -3.744 -3.416 -6.389 1.00 51.21 H new ATOM 0 HD22 LEU A 78 -3.673 -1.657 -6.656 1.00 51.21 H new ATOM 0 HD23 LEU A 78 -3.003 -2.770 -7.873 1.00 51.21 H new ATOM 1278 N LYS A 79 0.853 0.451 -8.438 1.00 51.43 N ATOM 1279 CA LYS A 79 1.203 1.834 -8.796 1.00 43.11 C ATOM 1280 C LYS A 79 1.422 1.944 -10.310 1.00 1.04 C ATOM 1281 O LYS A 79 0.923 2.874 -10.954 1.00 13.45 O ATOM 1282 CB LYS A 79 2.487 2.231 -8.025 1.00 61.12 C ATOM 1283 CG LYS A 79 2.907 3.711 -8.124 1.00 34.11 C ATOM 1284 CD LYS A 79 4.271 3.948 -7.434 1.00 61.41 C ATOM 1285 CE LYS A 79 4.725 5.409 -7.452 1.00 62.50 C ATOM 1286 NZ LYS A 79 6.109 5.552 -6.918 1.00 62.23 N ATOM 0 H LYS A 79 1.561 -0.003 -7.861 1.00 51.43 H new ATOM 0 HA LYS A 79 0.393 2.510 -8.524 1.00 43.11 H new ATOM 0 HB2 LYS A 79 2.346 1.984 -6.973 1.00 61.12 H new ATOM 0 HB3 LYS A 79 3.310 1.616 -8.389 1.00 61.12 H new ATOM 0 HG2 LYS A 79 2.969 4.006 -9.172 1.00 34.11 H new ATOM 0 HG3 LYS A 79 2.147 4.340 -7.661 1.00 34.11 H new ATOM 0 HD2 LYS A 79 4.209 3.609 -6.400 1.00 61.41 H new ATOM 0 HD3 LYS A 79 5.028 3.336 -7.925 1.00 61.41 H new ATOM 0 HE2 LYS A 79 4.685 5.792 -8.472 1.00 62.50 H new ATOM 0 HE3 LYS A 79 4.039 6.013 -6.857 1.00 62.50 H new ATOM 0 HZ1 LYS A 79 6.167 6.406 -6.327 1.00 62.23 H new ATOM 0 HZ2 LYS A 79 6.348 4.718 -6.345 1.00 62.23 H new ATOM 0 HZ3 LYS A 79 6.780 5.632 -7.709 1.00 62.23 H new ATOM 1300 N GLY A 80 2.145 0.949 -10.854 1.00 40.12 N ATOM 1301 CA GLY A 80 2.421 0.855 -12.282 1.00 74.33 C ATOM 1302 C GLY A 80 1.162 0.624 -13.107 1.00 52.52 C ATOM 1303 O GLY A 80 0.908 1.364 -14.056 1.00 22.43 O ATOM 0 H GLY A 80 2.551 0.190 -10.307 1.00 40.12 H new ATOM 0 HA2 GLY A 80 2.907 1.772 -12.616 1.00 74.33 H new ATOM 0 HA3 GLY A 80 3.122 0.040 -12.460 1.00 74.33 H new ATOM 1307 N LEU A 81 0.365 -0.384 -12.705 1.00 35.10 N ATOM 1308 CA LEU A 81 -0.867 -0.787 -13.413 1.00 11.43 C ATOM 1309 C LEU A 81 -1.889 0.358 -13.436 1.00 65.21 C ATOM 1310 O LEU A 81 -2.467 0.656 -14.476 1.00 55.32 O ATOM 1311 CB LEU A 81 -1.455 -2.070 -12.740 1.00 50.01 C ATOM 1312 CG LEU A 81 -2.765 -2.712 -13.352 1.00 1.11 C ATOM 1313 CD1 LEU A 81 -2.837 -4.225 -13.065 1.00 25.22 C ATOM 1314 CD2 LEU A 81 -4.054 -2.030 -12.830 1.00 45.13 C ATOM 0 H LEU A 81 0.558 -0.945 -11.875 1.00 35.10 H new ATOM 0 HA LEU A 81 -0.626 -1.017 -14.451 1.00 11.43 H new ATOM 0 HB2 LEU A 81 -0.677 -2.834 -12.747 1.00 50.01 H new ATOM 0 HB3 LEU A 81 -1.659 -1.833 -11.696 1.00 50.01 H new ATOM 0 HG LEU A 81 -2.705 -2.552 -14.429 1.00 1.11 H new ATOM 0 HD11 LEU A 81 -3.749 -4.635 -13.499 1.00 25.22 H new ATOM 0 HD12 LEU A 81 -1.971 -4.720 -13.505 1.00 25.22 H new ATOM 0 HD13 LEU A 81 -2.842 -4.391 -11.988 1.00 25.22 H new ATOM 0 HD21 LEU A 81 -4.925 -2.506 -13.279 1.00 45.13 H new ATOM 0 HD22 LEU A 81 -4.105 -2.130 -11.746 1.00 45.13 H new ATOM 0 HD23 LEU A 81 -4.040 -0.973 -13.097 1.00 45.13 H new ATOM 1326 N LEU A 82 -2.088 0.985 -12.268 1.00 24.33 N ATOM 1327 CA LEU A 82 -3.135 1.996 -12.054 1.00 34.34 C ATOM 1328 C LEU A 82 -2.754 3.349 -12.667 1.00 74.13 C ATOM 1329 O LEU A 82 -3.626 4.048 -13.169 1.00 53.33 O ATOM 1330 CB LEU A 82 -3.431 2.125 -10.536 1.00 41.11 C ATOM 1331 CG LEU A 82 -4.224 0.934 -9.900 1.00 53.44 C ATOM 1332 CD1 LEU A 82 -4.073 0.904 -8.366 1.00 4.11 C ATOM 1333 CD2 LEU A 82 -5.707 1.008 -10.294 1.00 24.33 C ATOM 0 H LEU A 82 -1.523 0.804 -11.438 1.00 24.33 H new ATOM 0 HA LEU A 82 -4.041 1.668 -12.564 1.00 34.34 H new ATOM 0 HB2 LEU A 82 -2.484 2.232 -10.007 1.00 41.11 H new ATOM 0 HB3 LEU A 82 -3.994 3.043 -10.370 1.00 41.11 H new ATOM 0 HG LEU A 82 -3.801 0.008 -10.290 1.00 53.44 H new ATOM 0 HD11 LEU A 82 -4.637 0.064 -7.961 1.00 4.11 H new ATOM 0 HD12 LEU A 82 -3.020 0.793 -8.106 1.00 4.11 H new ATOM 0 HD13 LEU A 82 -4.455 1.834 -7.945 1.00 4.11 H new ATOM 0 HD21 LEU A 82 -6.245 0.173 -9.844 1.00 24.33 H new ATOM 0 HD22 LEU A 82 -6.131 1.947 -9.939 1.00 24.33 H new ATOM 0 HD23 LEU A 82 -5.798 0.956 -11.379 1.00 24.33 H new ATOM 1345 N GLN A 83 -1.455 3.720 -12.631 1.00 23.43 N ATOM 1346 CA GLN A 83 -0.980 4.961 -13.284 1.00 31.55 C ATOM 1347 C GLN A 83 -1.097 4.816 -14.815 1.00 61.22 C ATOM 1348 O GLN A 83 -1.576 5.724 -15.491 1.00 44.24 O ATOM 1349 CB GLN A 83 0.478 5.303 -12.863 1.00 15.31 C ATOM 1350 CG GLN A 83 1.034 6.639 -13.416 1.00 2.34 C ATOM 1351 CD GLN A 83 0.207 7.866 -13.008 1.00 4.32 C ATOM 1352 OE1 GLN A 83 0.431 8.464 -11.956 1.00 4.22 O ATOM 1353 NE2 GLN A 83 -0.752 8.253 -13.840 1.00 0.21 N ATOM 0 H GLN A 83 -0.724 3.185 -12.162 1.00 23.43 H new ATOM 0 HA GLN A 83 -1.609 5.789 -12.957 1.00 31.55 H new ATOM 0 HB2 GLN A 83 0.526 5.332 -11.774 1.00 15.31 H new ATOM 0 HB3 GLN A 83 1.132 4.494 -13.190 1.00 15.31 H new ATOM 0 HG2 GLN A 83 2.058 6.769 -13.066 1.00 2.34 H new ATOM 0 HG3 GLN A 83 1.074 6.584 -14.504 1.00 2.34 H new ATOM 0 HE21 GLN A 83 -0.915 7.738 -14.705 1.00 0.21 H new ATOM 0 HE22 GLN A 83 -1.326 9.065 -13.614 1.00 0.21 H new ATOM 1362 N GLN A 84 -0.688 3.635 -15.317 1.00 11.33 N ATOM 1363 CA GLN A 84 -0.807 3.237 -16.742 1.00 53.13 C ATOM 1364 C GLN A 84 -2.287 3.268 -17.192 1.00 72.22 C ATOM 1365 O GLN A 84 -2.626 3.824 -18.254 1.00 15.13 O ATOM 1366 CB GLN A 84 -0.170 1.817 -16.884 1.00 22.41 C ATOM 1367 CG GLN A 84 -0.143 1.143 -18.286 1.00 4.34 C ATOM 1368 CD GLN A 84 -1.437 0.437 -18.701 1.00 0.41 C ATOM 1369 OE1 GLN A 84 -2.253 0.055 -17.862 1.00 31.20 O ATOM 1370 NE2 GLN A 84 -1.583 0.169 -19.986 1.00 62.02 N ATOM 0 H GLN A 84 -0.257 2.915 -14.737 1.00 11.33 H new ATOM 0 HA GLN A 84 -0.280 3.935 -17.392 1.00 53.13 H new ATOM 0 HB2 GLN A 84 0.858 1.880 -16.529 1.00 22.41 H new ATOM 0 HB3 GLN A 84 -0.701 1.148 -16.207 1.00 22.41 H new ATOM 0 HG2 GLN A 84 0.091 1.903 -19.031 1.00 4.34 H new ATOM 0 HG3 GLN A 84 0.669 0.417 -18.305 1.00 4.34 H new ATOM 0 HE21 GLN A 84 -0.890 0.499 -20.658 1.00 62.02 H new ATOM 0 HE22 GLN A 84 -2.389 -0.368 -20.307 1.00 62.02 H new ATOM 1379 N ARG A 85 -3.162 2.700 -16.335 1.00 61.00 N ATOM 1380 CA ARG A 85 -4.587 2.529 -16.625 1.00 53.22 C ATOM 1381 C ARG A 85 -5.271 3.899 -16.705 1.00 22.44 C ATOM 1382 O ARG A 85 -5.852 4.227 -17.726 1.00 71.15 O ATOM 1383 CB ARG A 85 -5.284 1.642 -15.549 1.00 12.15 C ATOM 1384 CG ARG A 85 -6.641 1.037 -16.013 1.00 32.40 C ATOM 1385 CD ARG A 85 -6.534 -0.435 -16.463 1.00 21.44 C ATOM 1386 NE ARG A 85 -5.424 -0.711 -17.395 1.00 13.43 N ATOM 1387 CZ ARG A 85 -4.867 -1.927 -17.587 1.00 33.23 C ATOM 1388 NH1 ARG A 85 -5.315 -3.004 -16.935 1.00 34.04 N ATOM 1389 NH2 ARG A 85 -3.861 -2.063 -18.437 1.00 42.51 N ATOM 0 H ARG A 85 -2.889 2.347 -15.418 1.00 61.00 H new ATOM 0 HA ARG A 85 -4.679 2.022 -17.586 1.00 53.22 H new ATOM 0 HB2 ARG A 85 -4.612 0.830 -15.270 1.00 12.15 H new ATOM 0 HB3 ARG A 85 -5.451 2.239 -14.653 1.00 12.15 H new ATOM 0 HG2 ARG A 85 -7.360 1.108 -15.197 1.00 32.40 H new ATOM 0 HG3 ARG A 85 -7.033 1.633 -16.837 1.00 32.40 H new ATOM 0 HD2 ARG A 85 -6.415 -1.064 -15.581 1.00 21.44 H new ATOM 0 HD3 ARG A 85 -7.471 -0.726 -16.938 1.00 21.44 H new ATOM 0 HE ARG A 85 -5.051 0.071 -17.932 1.00 13.43 H new ATOM 0 HH11 ARG A 85 -6.091 -2.917 -16.279 1.00 34.04 H new ATOM 0 HH12 ARG A 85 -4.881 -3.913 -17.094 1.00 34.04 H new ATOM 0 HH21 ARG A 85 -3.509 -1.251 -18.944 1.00 42.51 H new ATOM 0 HH22 ARG A 85 -3.438 -2.979 -18.584 1.00 42.51 H new ATOM 1403 N LEU A 86 -5.137 4.700 -15.621 1.00 21.21 N ATOM 1404 CA LEU A 86 -5.726 6.059 -15.515 1.00 22.41 C ATOM 1405 C LEU A 86 -5.182 7.002 -16.605 1.00 23.21 C ATOM 1406 O LEU A 86 -5.881 7.917 -17.035 1.00 51.31 O ATOM 1407 CB LEU A 86 -5.442 6.680 -14.118 1.00 22.00 C ATOM 1408 CG LEU A 86 -6.118 5.984 -12.893 1.00 74.12 C ATOM 1409 CD1 LEU A 86 -5.584 6.574 -11.572 1.00 2.11 C ATOM 1410 CD2 LEU A 86 -7.661 6.074 -12.965 1.00 54.15 C ATOM 0 H LEU A 86 -4.615 4.421 -14.790 1.00 21.21 H new ATOM 0 HA LEU A 86 -6.802 5.948 -15.653 1.00 22.41 H new ATOM 0 HB2 LEU A 86 -4.364 6.680 -13.958 1.00 22.00 H new ATOM 0 HB3 LEU A 86 -5.761 7.722 -14.137 1.00 22.00 H new ATOM 0 HG LEU A 86 -5.857 4.926 -12.924 1.00 74.12 H new ATOM 0 HD11 LEU A 86 -6.066 6.077 -10.730 1.00 2.11 H new ATOM 0 HD12 LEU A 86 -4.506 6.421 -11.515 1.00 2.11 H new ATOM 0 HD13 LEU A 86 -5.802 7.641 -11.536 1.00 2.11 H new ATOM 0 HD21 LEU A 86 -8.095 5.579 -12.096 1.00 54.15 H new ATOM 0 HD22 LEU A 86 -7.964 7.121 -12.975 1.00 54.15 H new ATOM 0 HD23 LEU A 86 -8.012 5.586 -13.874 1.00 54.15 H new ATOM 1422 N ASP A 87 -3.920 6.775 -17.014 1.00 70.35 N ATOM 1423 CA ASP A 87 -3.263 7.514 -18.112 1.00 24.43 C ATOM 1424 C ASP A 87 -4.044 7.310 -19.420 1.00 63.12 C ATOM 1425 O ASP A 87 -4.507 8.282 -20.046 1.00 23.11 O ATOM 1426 CB ASP A 87 -1.793 7.030 -18.266 1.00 2.02 C ATOM 1427 CG ASP A 87 -0.993 7.764 -19.351 1.00 74.14 C ATOM 1428 OD1 ASP A 87 -1.004 7.324 -20.527 1.00 74.04 O ATOM 1429 OD2 ASP A 87 -0.306 8.762 -19.025 1.00 63.35 O ATOM 0 H ASP A 87 -3.321 6.067 -16.589 1.00 70.35 H new ATOM 0 HA ASP A 87 -3.254 8.579 -17.879 1.00 24.43 H new ATOM 0 HB2 ASP A 87 -1.282 7.151 -17.311 1.00 2.02 H new ATOM 0 HB3 ASP A 87 -1.796 5.964 -18.493 1.00 2.02 H new ATOM 1434 N GLU A 88 -4.242 6.021 -19.776 1.00 73.44 N ATOM 1435 CA GLU A 88 -4.998 5.644 -20.981 1.00 21.11 C ATOM 1436 C GLU A 88 -6.468 6.076 -20.877 1.00 72.51 C ATOM 1437 O GLU A 88 -7.015 6.585 -21.842 1.00 24.21 O ATOM 1438 CB GLU A 88 -4.914 4.129 -21.232 1.00 40.34 C ATOM 1439 CG GLU A 88 -3.485 3.573 -21.389 1.00 50.33 C ATOM 1440 CD GLU A 88 -3.474 2.055 -21.602 1.00 12.42 C ATOM 1441 OE1 GLU A 88 -2.834 1.565 -22.562 1.00 74.14 O ATOM 1442 OE2 GLU A 88 -4.136 1.340 -20.812 1.00 41.22 O ATOM 0 H GLU A 88 -3.887 5.227 -19.243 1.00 73.44 H new ATOM 0 HA GLU A 88 -4.545 6.166 -21.824 1.00 21.11 H new ATOM 0 HB2 GLU A 88 -5.400 3.611 -20.405 1.00 40.34 H new ATOM 0 HB3 GLU A 88 -5.480 3.893 -22.133 1.00 40.34 H new ATOM 0 HG2 GLU A 88 -2.998 4.060 -22.234 1.00 50.33 H new ATOM 0 HG3 GLU A 88 -2.902 3.818 -20.501 1.00 50.33 H new ATOM 1449 N LEU A 89 -7.070 5.898 -19.681 1.00 72.53 N ATOM 1450 CA LEU A 89 -8.470 6.276 -19.393 1.00 22.31 C ATOM 1451 C LEU A 89 -8.688 7.775 -19.636 1.00 3.40 C ATOM 1452 O LEU A 89 -9.669 8.156 -20.260 1.00 30.01 O ATOM 1453 CB LEU A 89 -8.878 5.902 -17.931 1.00 12.43 C ATOM 1454 CG LEU A 89 -8.999 4.376 -17.610 1.00 73.21 C ATOM 1455 CD1 LEU A 89 -9.332 4.145 -16.119 1.00 5.33 C ATOM 1456 CD2 LEU A 89 -10.035 3.695 -18.526 1.00 23.45 C ATOM 0 H LEU A 89 -6.592 5.484 -18.881 1.00 72.53 H new ATOM 0 HA LEU A 89 -9.107 5.712 -20.074 1.00 22.31 H new ATOM 0 HB2 LEU A 89 -8.146 6.337 -17.250 1.00 12.43 H new ATOM 0 HB3 LEU A 89 -9.836 6.374 -17.713 1.00 12.43 H new ATOM 0 HG LEU A 89 -8.031 3.917 -17.808 1.00 73.21 H new ATOM 0 HD11 LEU A 89 -9.410 3.075 -15.925 1.00 5.33 H new ATOM 0 HD12 LEU A 89 -8.542 4.569 -15.500 1.00 5.33 H new ATOM 0 HD13 LEU A 89 -10.280 4.627 -15.879 1.00 5.33 H new ATOM 0 HD21 LEU A 89 -10.097 2.635 -18.280 1.00 23.45 H new ATOM 0 HD22 LEU A 89 -11.010 4.159 -18.380 1.00 23.45 H new ATOM 0 HD23 LEU A 89 -9.731 3.808 -19.567 1.00 23.45 H new ATOM 1468 N SER A 90 -7.737 8.608 -19.184 1.00 72.15 N ATOM 1469 CA SER A 90 -7.780 10.068 -19.398 1.00 43.05 C ATOM 1470 C SER A 90 -7.535 10.417 -20.879 1.00 43.40 C ATOM 1471 O SER A 90 -8.015 11.442 -21.360 1.00 31.30 O ATOM 1472 CB SER A 90 -6.762 10.782 -18.490 1.00 40.41 C ATOM 1473 OG SER A 90 -7.066 10.560 -17.123 1.00 72.41 O ATOM 0 H SER A 90 -6.919 8.293 -18.662 1.00 72.15 H new ATOM 0 HA SER A 90 -8.777 10.419 -19.132 1.00 43.05 H new ATOM 0 HB2 SER A 90 -5.757 10.420 -18.707 1.00 40.41 H new ATOM 0 HB3 SER A 90 -6.768 11.852 -18.700 1.00 40.41 H new ATOM 0 HG SER A 90 -6.742 9.675 -16.855 1.00 72.41 H new ATOM 1819 N MET A1001 -13.668 8.799 -8.875 1.00 65.12 N ATOM 1820 CA MET A1001 -12.793 7.640 -9.128 1.00 62.40 C ATOM 1821 C MET A1001 -11.362 8.097 -9.433 1.00 31.53 C ATOM 1822 O MET A1001 -10.410 7.616 -8.817 1.00 53.34 O ATOM 1823 CB MET A1001 -13.348 6.814 -10.315 1.00 34.00 C ATOM 1824 CG MET A1001 -12.517 5.584 -10.713 1.00 14.25 C ATOM 1825 SD MET A1001 -13.128 4.810 -12.230 1.00 73.22 S ATOM 1826 CE MET A1001 -12.907 6.115 -13.450 1.00 54.40 C ATOM 0 HA MET A1001 -12.772 7.018 -8.233 1.00 62.40 H new ATOM 0 HB2 MET A1001 -14.356 6.484 -10.065 1.00 34.00 H new ATOM 0 HB3 MET A1001 -13.433 7.469 -11.182 1.00 34.00 H new ATOM 0 HG2 MET A1001 -11.477 5.879 -10.851 1.00 14.25 H new ATOM 0 HG3 MET A1001 -12.537 4.856 -9.902 1.00 14.25 H new ATOM 0 HE1 MET A1001 -12.882 5.679 -14.449 1.00 54.40 H new ATOM 0 HE2 MET A1001 -13.736 6.820 -13.383 1.00 54.40 H new ATOM 0 HE3 MET A1001 -11.970 6.637 -13.258 1.00 54.40 H new ATOM 1836 N THR A1002 -11.234 9.050 -10.376 1.00 42.00 N ATOM 1837 CA THR A1002 -9.926 9.534 -10.832 1.00 54.14 C ATOM 1838 C THR A1002 -9.168 10.278 -9.720 1.00 32.21 C ATOM 1839 O THR A1002 -8.004 9.976 -9.482 1.00 14.40 O ATOM 1840 CB THR A1002 -10.047 10.437 -12.100 1.00 40.24 C ATOM 1841 OG1 THR A1002 -11.028 11.465 -11.889 1.00 61.41 O ATOM 1842 CG2 THR A1002 -10.405 9.605 -13.343 1.00 44.11 C ATOM 0 H THR A1002 -12.026 9.499 -10.836 1.00 42.00 H new ATOM 0 HA THR A1002 -9.350 8.648 -11.100 1.00 54.14 H new ATOM 0 HB THR A1002 -9.078 10.904 -12.274 1.00 40.24 H new ATOM 0 HG1 THR A1002 -11.093 12.025 -12.691 1.00 61.41 H new ATOM 0 HG21 THR A1002 -10.482 10.261 -14.210 1.00 44.11 H new ATOM 0 HG22 THR A1002 -9.628 8.861 -13.519 1.00 44.11 H new ATOM 0 HG23 THR A1002 -11.359 9.102 -13.182 1.00 44.11 H new ATOM 1850 N THR A1003 -9.843 11.213 -9.019 1.00 51.34 N ATOM 1851 CA THR A1003 -9.193 12.040 -7.981 1.00 64.22 C ATOM 1852 C THR A1003 -8.829 11.208 -6.728 1.00 41.10 C ATOM 1853 O THR A1003 -7.780 11.440 -6.110 1.00 43.34 O ATOM 1854 CB THR A1003 -10.064 13.277 -7.592 1.00 74.43 C ATOM 1855 OG1 THR A1003 -11.363 12.852 -7.143 1.00 21.15 O ATOM 1856 CG2 THR A1003 -10.220 14.251 -8.777 1.00 60.42 C ATOM 0 H THR A1003 -10.834 11.414 -9.152 1.00 51.34 H new ATOM 0 HA THR A1003 -8.265 12.412 -8.415 1.00 64.22 H new ATOM 0 HB THR A1003 -9.552 13.799 -6.784 1.00 74.43 H new ATOM 0 HG1 THR A1003 -11.898 13.636 -6.901 1.00 21.15 H new ATOM 0 HG21 THR A1003 -10.831 15.100 -8.472 1.00 60.42 H new ATOM 0 HG22 THR A1003 -9.237 14.605 -9.089 1.00 60.42 H new ATOM 0 HG23 THR A1003 -10.702 13.737 -9.609 1.00 60.42 H new ATOM 1864 N ARG A1004 -9.690 10.219 -6.382 1.00 5.13 N ATOM 1865 CA ARG A1004 -9.411 9.270 -5.280 1.00 74.13 C ATOM 1866 C ARG A1004 -8.176 8.421 -5.613 1.00 44.52 C ATOM 1867 O ARG A1004 -7.278 8.291 -4.788 1.00 61.54 O ATOM 1868 CB ARG A1004 -10.627 8.338 -4.969 1.00 41.21 C ATOM 1869 CG ARG A1004 -11.811 9.022 -4.241 1.00 62.42 C ATOM 1870 CD ARG A1004 -13.028 8.084 -4.069 1.00 12.02 C ATOM 1871 NE ARG A1004 -14.187 8.765 -3.451 1.00 54.03 N ATOM 1872 CZ ARG A1004 -14.781 8.434 -2.284 1.00 43.52 C ATOM 1873 NH1 ARG A1004 -14.347 7.406 -1.555 1.00 1.32 N ATOM 1874 NH2 ARG A1004 -15.820 9.137 -1.858 1.00 34.15 N ATOM 0 H ARG A1004 -10.582 10.060 -6.851 1.00 5.13 H new ATOM 0 HA ARG A1004 -9.221 9.866 -4.387 1.00 74.13 H new ATOM 0 HB2 ARG A1004 -10.991 7.917 -5.906 1.00 41.21 H new ATOM 0 HB3 ARG A1004 -10.279 7.504 -4.359 1.00 41.21 H new ATOM 0 HG2 ARG A1004 -11.480 9.365 -3.261 1.00 62.42 H new ATOM 0 HG3 ARG A1004 -12.115 9.906 -4.802 1.00 62.42 H new ATOM 0 HD2 ARG A1004 -13.319 7.690 -5.043 1.00 12.02 H new ATOM 0 HD3 ARG A1004 -12.741 7.232 -3.453 1.00 12.02 H new ATOM 0 HE ARG A1004 -14.575 9.562 -3.955 1.00 54.03 H new ATOM 0 HH11 ARG A1004 -13.552 6.853 -1.876 1.00 1.32 H new ATOM 0 HH12 ARG A1004 -14.810 7.173 -0.676 1.00 1.32 H new ATOM 0 HH21 ARG A1004 -16.166 9.922 -2.410 1.00 34.15 H new ATOM 0 HH22 ARG A1004 -16.274 8.893 -0.978 1.00 34.15 H new ATOM 1888 N LEU A1005 -8.133 7.885 -6.852 1.00 62.40 N ATOM 1889 CA LEU A1005 -7.045 7.000 -7.302 1.00 52.54 C ATOM 1890 C LEU A1005 -5.731 7.763 -7.568 1.00 54.50 C ATOM 1891 O LEU A1005 -4.664 7.181 -7.431 1.00 40.23 O ATOM 1892 CB LEU A1005 -7.459 6.164 -8.546 1.00 41.33 C ATOM 1893 CG LEU A1005 -8.452 4.979 -8.301 1.00 72.51 C ATOM 1894 CD1 LEU A1005 -8.751 4.230 -9.623 1.00 72.15 C ATOM 1895 CD2 LEU A1005 -7.918 4.008 -7.216 1.00 2.04 C ATOM 0 H LEU A1005 -8.847 8.054 -7.561 1.00 62.40 H new ATOM 0 HA LEU A1005 -6.856 6.311 -6.479 1.00 52.54 H new ATOM 0 HB2 LEU A1005 -7.908 6.839 -9.275 1.00 41.33 H new ATOM 0 HB3 LEU A1005 -6.554 5.761 -9.001 1.00 41.33 H new ATOM 0 HG LEU A1005 -9.387 5.399 -7.931 1.00 72.51 H new ATOM 0 HD11 LEU A1005 -9.443 3.411 -9.428 1.00 72.15 H new ATOM 0 HD12 LEU A1005 -9.197 4.920 -10.339 1.00 72.15 H new ATOM 0 HD13 LEU A1005 -7.823 3.831 -10.033 1.00 72.15 H new ATOM 0 HD21 LEU A1005 -8.632 3.197 -7.071 1.00 2.04 H new ATOM 0 HD22 LEU A1005 -6.961 3.596 -7.536 1.00 2.04 H new ATOM 0 HD23 LEU A1005 -7.786 4.548 -6.278 1.00 2.04 H new ATOM 1907 N THR A1006 -5.796 9.057 -7.941 1.00 54.32 N ATOM 1908 CA THR A1006 -4.581 9.885 -8.117 1.00 61.13 C ATOM 1909 C THR A1006 -3.981 10.231 -6.736 1.00 74.42 C ATOM 1910 O THR A1006 -2.751 10.145 -6.538 1.00 2.20 O ATOM 1911 CB THR A1006 -4.859 11.183 -8.951 1.00 44.21 C ATOM 1912 OG1 THR A1006 -5.968 11.908 -8.394 1.00 25.44 O ATOM 1913 CG2 THR A1006 -5.140 10.875 -10.442 1.00 21.25 C ATOM 0 H THR A1006 -6.669 9.551 -8.126 1.00 54.32 H new ATOM 0 HA THR A1006 -3.858 9.301 -8.687 1.00 61.13 H new ATOM 0 HB THR A1006 -3.956 11.791 -8.900 1.00 44.21 H new ATOM 0 HG1 THR A1006 -6.342 11.405 -7.641 1.00 25.44 H new ATOM 0 HG21 THR A1006 -5.326 11.806 -10.977 1.00 21.25 H new ATOM 0 HG22 THR A1006 -4.277 10.372 -10.879 1.00 21.25 H new ATOM 0 HG23 THR A1006 -6.015 10.229 -10.522 1.00 21.25 H new ATOM 1921 N ARG A1007 -4.871 10.570 -5.765 1.00 53.10 N ATOM 1922 CA ARG A1007 -4.462 10.801 -4.359 1.00 74.33 C ATOM 1923 C ARG A1007 -3.925 9.492 -3.739 1.00 11.42 C ATOM 1924 O ARG A1007 -2.998 9.503 -2.923 1.00 5.21 O ATOM 1925 CB ARG A1007 -5.637 11.356 -3.510 1.00 44.34 C ATOM 1926 CG ARG A1007 -5.248 11.695 -2.051 1.00 52.12 C ATOM 1927 CD ARG A1007 -6.396 12.298 -1.228 1.00 43.30 C ATOM 1928 NE ARG A1007 -5.967 12.550 0.161 1.00 75.53 N ATOM 1929 CZ ARG A1007 -6.484 13.467 0.992 1.00 41.14 C ATOM 1930 NH1 ARG A1007 -7.481 14.271 0.615 1.00 64.51 N ATOM 1931 NH2 ARG A1007 -5.980 13.574 2.219 1.00 23.23 N ATOM 0 H ARG A1007 -5.870 10.688 -5.932 1.00 53.10 H new ATOM 0 HA ARG A1007 -3.669 11.548 -4.359 1.00 74.33 H new ATOM 0 HB2 ARG A1007 -6.027 12.253 -3.990 1.00 44.34 H new ATOM 0 HB3 ARG A1007 -6.444 10.623 -3.500 1.00 44.34 H new ATOM 0 HG2 ARG A1007 -4.897 10.788 -1.558 1.00 52.12 H new ATOM 0 HG3 ARG A1007 -4.413 12.396 -2.061 1.00 52.12 H new ATOM 0 HD2 ARG A1007 -6.728 13.230 -1.686 1.00 43.30 H new ATOM 0 HD3 ARG A1007 -7.249 11.619 -1.233 1.00 43.30 H new ATOM 0 HE ARG A1007 -5.207 11.974 0.523 1.00 75.53 H new ATOM 0 HH11 ARG A1007 -7.868 14.196 -0.326 1.00 64.51 H new ATOM 0 HH12 ARG A1007 -7.855 14.960 1.268 1.00 64.51 H new ATOM 0 HH21 ARG A1007 -5.215 12.965 2.511 1.00 23.23 H new ATOM 0 HH22 ARG A1007 -6.358 14.265 2.867 1.00 23.23 H new ATOM 1945 N TRP A1008 -4.516 8.372 -4.173 1.00 13.35 N ATOM 1946 CA TRP A1008 -4.098 7.014 -3.800 1.00 71.34 C ATOM 1947 C TRP A1008 -2.668 6.747 -4.303 1.00 12.31 C ATOM 1948 O TRP A1008 -1.822 6.365 -3.513 1.00 71.33 O ATOM 1949 CB TRP A1008 -5.154 5.995 -4.347 1.00 5.31 C ATOM 1950 CG TRP A1008 -4.678 4.594 -4.678 1.00 63.34 C ATOM 1951 CD1 TRP A1008 -4.124 4.177 -5.854 1.00 2.42 C ATOM 1952 CD2 TRP A1008 -4.774 3.421 -3.857 1.00 75.14 C ATOM 1953 NE1 TRP A1008 -3.829 2.848 -5.794 1.00 11.53 N ATOM 1954 CE2 TRP A1008 -4.234 2.354 -4.594 1.00 2.34 C ATOM 1955 CE3 TRP A1008 -5.256 3.172 -2.574 1.00 64.35 C ATOM 1956 CZ2 TRP A1008 -4.159 1.060 -4.096 1.00 32.03 C ATOM 1957 CZ3 TRP A1008 -5.189 1.890 -2.077 1.00 51.21 C ATOM 1958 CH2 TRP A1008 -4.647 0.849 -2.840 1.00 25.23 C ATOM 0 H TRP A1008 -5.315 8.384 -4.807 1.00 13.35 H new ATOM 0 HA TRP A1008 -4.063 6.897 -2.717 1.00 71.34 H new ATOM 0 HB2 TRP A1008 -5.953 5.912 -3.610 1.00 5.31 H new ATOM 0 HB3 TRP A1008 -5.595 6.421 -5.248 1.00 5.31 H new ATOM 0 HD1 TRP A1008 -3.945 4.810 -6.710 1.00 2.42 H new ATOM 0 HE1 TRP A1008 -3.376 2.309 -6.532 1.00 11.53 H new ATOM 0 HE3 TRP A1008 -5.675 3.971 -1.980 1.00 64.35 H new ATOM 0 HZ2 TRP A1008 -3.733 0.256 -4.678 1.00 32.03 H new ATOM 0 HZ3 TRP A1008 -5.560 1.684 -1.084 1.00 51.21 H new ATOM 0 HH2 TRP A1008 -4.614 -0.147 -2.423 1.00 25.23 H new ATOM 1969 N LEU A1009 -2.401 7.013 -5.609 1.00 73.30 N ATOM 1970 CA LEU A1009 -1.083 6.748 -6.242 1.00 11.25 C ATOM 1971 C LEU A1009 0.041 7.594 -5.604 1.00 51.41 C ATOM 1972 O LEU A1009 1.168 7.107 -5.433 1.00 31.42 O ATOM 1973 CB LEU A1009 -1.142 7.004 -7.779 1.00 3.32 C ATOM 1974 CG LEU A1009 -2.042 6.034 -8.614 1.00 31.32 C ATOM 1975 CD1 LEU A1009 -2.157 6.504 -10.078 1.00 74.54 C ATOM 1976 CD2 LEU A1009 -1.543 4.574 -8.537 1.00 61.24 C ATOM 0 H LEU A1009 -3.088 7.414 -6.248 1.00 73.30 H new ATOM 0 HA LEU A1009 -0.850 5.697 -6.069 1.00 11.25 H new ATOM 0 HB2 LEU A1009 -1.495 8.022 -7.942 1.00 3.32 H new ATOM 0 HB3 LEU A1009 -0.127 6.952 -8.173 1.00 3.32 H new ATOM 0 HG LEU A1009 -3.038 6.059 -8.172 1.00 31.32 H new ATOM 0 HD11 LEU A1009 -2.788 5.811 -10.634 1.00 74.54 H new ATOM 0 HD12 LEU A1009 -2.599 7.500 -10.107 1.00 74.54 H new ATOM 0 HD13 LEU A1009 -1.165 6.534 -10.530 1.00 74.54 H new ATOM 0 HD21 LEU A1009 -2.196 3.934 -9.131 1.00 61.24 H new ATOM 0 HD22 LEU A1009 -0.527 4.516 -8.927 1.00 61.24 H new ATOM 0 HD23 LEU A1009 -1.554 4.240 -7.499 1.00 61.24 H new ATOM 1988 N THR A1010 -0.265 8.862 -5.244 1.00 63.44 N ATOM 1989 CA THR A1010 0.722 9.740 -4.581 1.00 21.13 C ATOM 1990 C THR A1010 0.890 9.353 -3.090 1.00 51.34 C ATOM 1991 O THR A1010 1.957 9.552 -2.515 1.00 62.14 O ATOM 1992 CB THR A1010 0.375 11.262 -4.744 1.00 3.42 C ATOM 1993 OG1 THR A1010 1.472 12.083 -4.305 1.00 43.42 O ATOM 1994 CG2 THR A1010 -0.887 11.677 -3.981 1.00 63.11 C ATOM 0 H THR A1010 -1.176 9.294 -5.400 1.00 63.44 H new ATOM 0 HA THR A1010 1.677 9.586 -5.083 1.00 21.13 H new ATOM 0 HB THR A1010 0.188 11.412 -5.807 1.00 3.42 H new ATOM 0 HG1 THR A1010 1.238 13.028 -4.416 1.00 43.42 H new ATOM 0 HG21 THR A1010 -1.072 12.740 -4.135 1.00 63.11 H new ATOM 0 HG22 THR A1010 -1.739 11.104 -4.347 1.00 63.11 H new ATOM 0 HG23 THR A1010 -0.750 11.483 -2.917 1.00 63.11 H new ATOM 2002 N ALA A1011 -0.162 8.763 -2.478 1.00 2.34 N ATOM 2003 CA ALA A1011 -0.079 8.209 -1.103 1.00 51.33 C ATOM 2004 C ALA A1011 0.737 6.897 -1.092 1.00 62.24 C ATOM 2005 O ALA A1011 1.413 6.584 -0.097 1.00 51.51 O ATOM 2006 CB ALA A1011 -1.485 7.993 -0.520 1.00 41.11 C ATOM 0 H ALA A1011 -1.079 8.657 -2.913 1.00 2.34 H new ATOM 0 HA ALA A1011 0.439 8.931 -0.471 1.00 51.33 H new ATOM 0 HB1 ALA A1011 -1.402 7.587 0.488 1.00 41.11 H new ATOM 0 HB2 ALA A1011 -2.015 8.945 -0.485 1.00 41.11 H new ATOM 0 HB3 ALA A1011 -2.036 7.294 -1.149 1.00 41.11 H new ATOM 2012 N LEU A1012 0.677 6.152 -2.223 1.00 1.33 N ATOM 2013 CA LEU A1012 1.484 4.940 -2.437 1.00 65.45 C ATOM 2014 C LEU A1012 2.959 5.331 -2.571 1.00 21.52 C ATOM 2015 O LEU A1012 3.830 4.690 -2.015 1.00 3.22 O ATOM 2016 CB LEU A1012 1.059 4.153 -3.720 1.00 3.41 C ATOM 2017 CG LEU A1012 -0.413 3.628 -3.811 1.00 72.43 C ATOM 2018 CD1 LEU A1012 -0.572 2.642 -4.992 1.00 61.02 C ATOM 2019 CD2 LEU A1012 -0.900 3.016 -2.479 1.00 54.02 C ATOM 0 H LEU A1012 0.066 6.380 -3.008 1.00 1.33 H new ATOM 0 HA LEU A1012 1.323 4.290 -1.577 1.00 65.45 H new ATOM 0 HB2 LEU A1012 1.236 4.798 -4.581 1.00 3.41 H new ATOM 0 HB3 LEU A1012 1.725 3.296 -3.821 1.00 3.41 H new ATOM 0 HG LEU A1012 -1.055 4.487 -4.004 1.00 72.43 H new ATOM 0 HD11 LEU A1012 -1.603 2.290 -5.036 1.00 61.02 H new ATOM 0 HD12 LEU A1012 -0.321 3.148 -5.924 1.00 61.02 H new ATOM 0 HD13 LEU A1012 0.096 1.792 -4.849 1.00 61.02 H new ATOM 0 HD21 LEU A1012 -1.926 2.666 -2.593 1.00 54.02 H new ATOM 0 HD22 LEU A1012 -0.259 2.177 -2.208 1.00 54.02 H new ATOM 0 HD23 LEU A1012 -0.859 3.772 -1.695 1.00 54.02 H new ATOM 2031 N ASP A1013 3.204 6.416 -3.330 1.00 1.12 N ATOM 2032 CA ASP A1013 4.555 6.956 -3.565 1.00 32.42 C ATOM 2033 C ASP A1013 5.171 7.511 -2.263 1.00 43.33 C ATOM 2034 O ASP A1013 6.367 7.322 -2.008 1.00 43.13 O ATOM 2035 CB ASP A1013 4.504 8.062 -4.650 1.00 51.43 C ATOM 2036 CG ASP A1013 5.883 8.691 -4.924 1.00 55.43 C ATOM 2037 OD1 ASP A1013 6.709 8.060 -5.610 1.00 40.34 O ATOM 2038 OD2 ASP A1013 6.152 9.813 -4.449 1.00 62.34 O ATOM 0 H ASP A1013 2.468 6.944 -3.799 1.00 1.12 H new ATOM 0 HA ASP A1013 5.190 6.142 -3.914 1.00 32.42 H new ATOM 0 HB2 ASP A1013 4.112 7.640 -5.575 1.00 51.43 H new ATOM 0 HB3 ASP A1013 3.810 8.841 -4.336 1.00 51.43 H new ATOM 2043 N ASN A1014 4.327 8.188 -1.451 1.00 52.34 N ATOM 2044 CA ASN A1014 4.730 8.756 -0.146 1.00 44.52 C ATOM 2045 C ASN A1014 5.155 7.624 0.800 1.00 43.33 C ATOM 2046 O ASN A1014 6.223 7.701 1.427 1.00 24.45 O ATOM 2047 CB ASN A1014 3.568 9.589 0.472 1.00 75.40 C ATOM 2048 CG ASN A1014 3.918 10.240 1.822 1.00 13.11 C ATOM 2049 OD1 ASN A1014 5.065 10.616 2.082 1.00 73.41 O ATOM 2050 ND2 ASN A1014 2.929 10.378 2.691 1.00 72.34 N ATOM 0 H ASN A1014 3.348 8.355 -1.683 1.00 52.34 H new ATOM 0 HA ASN A1014 5.577 9.426 -0.295 1.00 44.52 H new ATOM 0 HB2 ASN A1014 3.278 10.369 -0.232 1.00 75.40 H new ATOM 0 HB3 ASN A1014 2.701 8.942 0.605 1.00 75.40 H new ATOM 0 HD21 ASN A1014 3.105 10.804 3.601 1.00 72.34 H new ATOM 0 HD22 ASN A1014 1.991 10.059 2.451 1.00 72.34 H new ATOM 2057 N PHE A1015 4.327 6.550 0.843 1.00 72.31 N ATOM 2058 CA PHE A1015 4.629 5.329 1.598 1.00 42.41 C ATOM 2059 C PHE A1015 5.958 4.729 1.133 1.00 45.35 C ATOM 2060 O PHE A1015 6.899 4.692 1.901 1.00 5.12 O ATOM 2061 CB PHE A1015 3.482 4.299 1.440 1.00 50.24 C ATOM 2062 CG PHE A1015 3.797 2.889 1.960 1.00 14.25 C ATOM 2063 CD1 PHE A1015 4.000 1.842 1.076 1.00 70.23 C ATOM 2064 CD2 PHE A1015 3.885 2.614 3.323 1.00 71.43 C ATOM 2065 CE1 PHE A1015 4.275 0.570 1.513 1.00 15.33 C ATOM 2066 CE2 PHE A1015 4.163 1.337 3.769 1.00 4.01 C ATOM 2067 CZ PHE A1015 4.357 0.313 2.859 1.00 70.04 C ATOM 0 H PHE A1015 3.434 6.516 0.352 1.00 72.31 H new ATOM 0 HA PHE A1015 4.718 5.586 2.653 1.00 42.41 H new ATOM 0 HB2 PHE A1015 2.603 4.674 1.963 1.00 50.24 H new ATOM 0 HB3 PHE A1015 3.219 4.230 0.384 1.00 50.24 H new ATOM 0 HD1 PHE A1015 3.940 2.032 0.014 1.00 70.23 H new ATOM 0 HD2 PHE A1015 3.734 3.409 4.039 1.00 71.43 H new ATOM 0 HE1 PHE A1015 4.426 -0.227 0.800 1.00 15.33 H new ATOM 0 HE2 PHE A1015 4.229 1.138 4.828 1.00 4.01 H new ATOM 0 HZ PHE A1015 4.573 -0.686 3.207 1.00 70.04 H new ATOM 2077 N GLU A1016 5.998 4.333 -0.149 1.00 65.24 N ATOM 2078 CA GLU A1016 7.134 3.677 -0.825 1.00 64.12 C ATOM 2079 C GLU A1016 8.484 4.347 -0.495 1.00 52.31 C ATOM 2080 O GLU A1016 9.422 3.692 -0.007 1.00 24.22 O ATOM 2081 CB GLU A1016 6.877 3.730 -2.356 1.00 12.30 C ATOM 2082 CG GLU A1016 7.900 2.984 -3.236 1.00 44.42 C ATOM 2083 CD GLU A1016 7.835 3.411 -4.715 1.00 73.33 C ATOM 2084 OE1 GLU A1016 8.721 4.177 -5.167 1.00 72.12 O ATOM 2085 OE2 GLU A1016 6.899 3.005 -5.428 1.00 33.34 O ATOM 0 H GLU A1016 5.203 4.467 -0.774 1.00 65.24 H new ATOM 0 HA GLU A1016 7.202 2.648 -0.472 1.00 64.12 H new ATOM 0 HB2 GLU A1016 5.888 3.317 -2.553 1.00 12.30 H new ATOM 0 HB3 GLU A1016 6.854 4.775 -2.665 1.00 12.30 H new ATOM 0 HG2 GLU A1016 8.904 3.167 -2.853 1.00 44.42 H new ATOM 0 HG3 GLU A1016 7.721 1.911 -3.164 1.00 44.42 H new ATOM 2092 N ALA A1017 8.538 5.668 -0.716 1.00 62.11 N ATOM 2093 CA ALA A1017 9.755 6.467 -0.539 1.00 70.23 C ATOM 2094 C ALA A1017 10.147 6.580 0.947 1.00 15.13 C ATOM 2095 O ALA A1017 11.274 6.230 1.325 1.00 24.12 O ATOM 2096 CB ALA A1017 9.570 7.848 -1.172 1.00 62.22 C ATOM 0 H ALA A1017 7.733 6.214 -1.024 1.00 62.11 H new ATOM 0 HA ALA A1017 10.576 5.959 -1.046 1.00 70.23 H new ATOM 0 HB1 ALA A1017 10.478 8.435 -1.036 1.00 62.22 H new ATOM 0 HB2 ALA A1017 9.366 7.736 -2.237 1.00 62.22 H new ATOM 0 HB3 ALA A1017 8.733 8.358 -0.694 1.00 62.22 H new ATOM 2102 N LYS A1018 9.187 7.010 1.791 1.00 21.14 N ATOM 2103 CA LYS A1018 9.429 7.224 3.237 1.00 63.25 C ATOM 2104 C LYS A1018 9.797 5.899 3.947 1.00 60.45 C ATOM 2105 O LYS A1018 10.658 5.861 4.842 1.00 73.14 O ATOM 2106 CB LYS A1018 8.176 7.866 3.891 1.00 21.31 C ATOM 2107 CG LYS A1018 8.372 8.395 5.335 1.00 32.53 C ATOM 2108 CD LYS A1018 9.305 9.629 5.414 1.00 40.44 C ATOM 2109 CE LYS A1018 8.745 10.851 4.664 1.00 24.32 C ATOM 2110 NZ LYS A1018 9.656 12.024 4.760 1.00 1.21 N ATOM 0 H LYS A1018 8.233 7.217 1.497 1.00 21.14 H new ATOM 0 HA LYS A1018 10.275 7.902 3.348 1.00 63.25 H new ATOM 0 HB2 LYS A1018 7.843 8.692 3.263 1.00 21.31 H new ATOM 0 HB3 LYS A1018 7.374 7.128 3.899 1.00 21.31 H new ATOM 0 HG2 LYS A1018 7.400 8.656 5.754 1.00 32.53 H new ATOM 0 HG3 LYS A1018 8.783 7.597 5.954 1.00 32.53 H new ATOM 0 HD2 LYS A1018 9.464 9.892 6.460 1.00 40.44 H new ATOM 0 HD3 LYS A1018 10.279 9.369 4.999 1.00 40.44 H new ATOM 0 HE2 LYS A1018 8.591 10.595 3.616 1.00 24.32 H new ATOM 0 HE3 LYS A1018 7.770 11.114 5.074 1.00 24.32 H new ATOM 0 HZ1 LYS A1018 9.244 12.827 4.243 1.00 1.21 H new ATOM 0 HZ2 LYS A1018 9.783 12.284 5.759 1.00 1.21 H new ATOM 0 HZ3 LYS A1018 10.579 11.782 4.346 1.00 1.21 H new ATOM 2124 N MET A1019 9.180 4.800 3.501 1.00 63.13 N ATOM 2125 CA MET A1019 9.381 3.490 4.119 1.00 30.24 C ATOM 2126 C MET A1019 10.687 2.840 3.621 1.00 11.40 C ATOM 2127 O MET A1019 11.260 1.991 4.307 1.00 1.55 O ATOM 2128 CB MET A1019 8.157 2.556 3.924 1.00 23.34 C ATOM 2129 CG MET A1019 8.054 1.840 2.559 1.00 41.43 C ATOM 2130 SD MET A1019 7.583 0.112 2.737 1.00 72.34 S ATOM 2131 CE MET A1019 8.860 -0.453 3.851 1.00 14.04 C ATOM 0 H MET A1019 8.535 4.794 2.711 1.00 63.13 H new ATOM 0 HA MET A1019 9.478 3.647 5.193 1.00 30.24 H new ATOM 0 HB2 MET A1019 8.176 1.798 4.707 1.00 23.34 H new ATOM 0 HB3 MET A1019 7.251 3.144 4.071 1.00 23.34 H new ATOM 0 HG2 MET A1019 7.322 2.353 1.935 1.00 41.43 H new ATOM 0 HG3 MET A1019 9.012 1.903 2.043 1.00 41.43 H new ATOM 0 HE1 MET A1019 8.823 -1.540 3.926 1.00 14.04 H new ATOM 0 HE2 MET A1019 9.835 -0.148 3.471 1.00 14.04 H new ATOM 0 HE3 MET A1019 8.702 -0.016 4.837 1.00 14.04 H new ATOM 2141 N ALA A1020 11.147 3.245 2.416 1.00 21.35 N ATOM 2142 CA ALA A1020 12.498 2.909 1.932 1.00 3.41 C ATOM 2143 C ALA A1020 13.556 3.665 2.761 1.00 63.41 C ATOM 2144 O ALA A1020 14.668 3.167 2.973 1.00 33.05 O ATOM 2145 CB ALA A1020 12.641 3.232 0.437 1.00 31.42 C ATOM 0 H ALA A1020 10.599 3.805 1.763 1.00 21.35 H new ATOM 0 HA ALA A1020 12.657 1.838 2.056 1.00 3.41 H new ATOM 0 HB1 ALA A1020 13.647 2.975 0.104 1.00 31.42 H new ATOM 0 HB2 ALA A1020 11.912 2.655 -0.131 1.00 31.42 H new ATOM 0 HB3 ALA A1020 12.466 4.296 0.276 1.00 31.42 H new ATOM 2151 N LEU A1021 13.180 4.880 3.224 1.00 61.44 N ATOM 2152 CA LEU A1021 14.027 5.711 4.103 1.00 41.42 C ATOM 2153 C LEU A1021 14.120 5.140 5.537 1.00 75.11 C ATOM 2154 O LEU A1021 15.126 5.389 6.206 1.00 23.13 O ATOM 2155 CB LEU A1021 13.508 7.178 4.145 1.00 5.44 C ATOM 2156 CG LEU A1021 13.599 7.977 2.811 1.00 25.13 C ATOM 2157 CD1 LEU A1021 12.920 9.358 2.933 1.00 42.44 C ATOM 2158 CD2 LEU A1021 15.066 8.104 2.344 1.00 51.05 C ATOM 0 H LEU A1021 12.282 5.309 2.998 1.00 61.44 H new ATOM 0 HA LEU A1021 15.030 5.699 3.677 1.00 41.42 H new ATOM 0 HB2 LEU A1021 12.466 7.164 4.466 1.00 5.44 H new ATOM 0 HB3 LEU A1021 14.069 7.718 4.907 1.00 5.44 H new ATOM 0 HG LEU A1021 13.056 7.419 2.049 1.00 25.13 H new ATOM 0 HD11 LEU A1021 13.002 9.889 1.985 1.00 42.44 H new ATOM 0 HD12 LEU A1021 11.868 9.225 3.185 1.00 42.44 H new ATOM 0 HD13 LEU A1021 13.410 9.937 3.716 1.00 42.44 H new ATOM 0 HD21 LEU A1021 15.103 8.666 1.411 1.00 51.05 H new ATOM 0 HD22 LEU A1021 15.646 8.626 3.105 1.00 51.05 H new ATOM 0 HD23 LEU A1021 15.485 7.110 2.186 1.00 51.05 H new ATOM 2170 N LEU A1022 13.050 4.430 6.011 1.00 74.22 N ATOM 2171 CA LEU A1022 13.054 3.727 7.339 1.00 31.33 C ATOM 2172 C LEU A1022 14.332 2.851 7.532 1.00 43.32 C ATOM 2173 O LEU A1022 14.494 1.850 6.825 1.00 62.41 O ATOM 2174 CB LEU A1022 11.809 2.803 7.514 1.00 53.53 C ATOM 2175 CG LEU A1022 10.407 3.475 7.586 1.00 21.31 C ATOM 2176 CD1 LEU A1022 9.300 2.406 7.744 1.00 21.21 C ATOM 2177 CD2 LEU A1022 10.328 4.506 8.718 1.00 52.23 C ATOM 0 H LEU A1022 12.175 4.328 5.496 1.00 74.22 H new ATOM 0 HA LEU A1022 13.033 4.519 8.088 1.00 31.33 H new ATOM 0 HB2 LEU A1022 11.798 2.096 6.685 1.00 53.53 H new ATOM 0 HB3 LEU A1022 11.949 2.223 8.426 1.00 53.53 H new ATOM 0 HG LEU A1022 10.249 4.007 6.648 1.00 21.31 H new ATOM 0 HD11 LEU A1022 8.327 2.894 7.793 1.00 21.21 H new ATOM 0 HD12 LEU A1022 9.324 1.729 6.890 1.00 21.21 H new ATOM 0 HD13 LEU A1022 9.468 1.841 8.661 1.00 21.21 H new ATOM 0 HD21 LEU A1022 9.334 4.952 8.735 1.00 52.23 H new ATOM 0 HD22 LEU A1022 10.521 4.015 9.672 1.00 52.23 H new ATOM 0 HD23 LEU A1022 11.073 5.285 8.553 1.00 52.23 H new