USER MOD reduce.3.24.130724 H: found=0, std=0, add=537, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 538 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 Single : A 21 LYS NZ :NH3+ 178:sc= -0.334 (180deg=-0.346) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0072 USER MOD Single : A 30 LYS NZ :NH3+ -133:sc= 1.66 (180deg=0.365) USER MOD Single : A 31 SER OG : rot 69:sc= 0.941 USER MOD Single : A 36 LYS NZ :NH3+ -123:sc= 1.22 (180deg=-0.327) USER MOD Single : A 37 LYS NZ :NH3+ -110:sc= -4.43! (180deg=-7!) USER MOD Single : A 41 GLN : amide:sc= 0.366 X(o=0.37,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 135:sc= 1.34 (180deg=-3.42!) USER MOD Single : A 47 GLN : amide:sc= 0.836 K(o=0.84,f=-12!) USER MOD Single : A 55 THR OG1 : rot 107:sc= 1.18 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.162 USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -108:sc= 1.2 (180deg=-0.167) USER MOD Single : A 75 ASN : amide:sc= -1.28 K(o=-1.3,f=-6.6!) USER MOD Single : A 78 GLN : amide:sc= -0.73 K(o=-0.73,f=-2.5) USER MOD ----------------------------------------------------------------- ATOM 19 N LYS A 21 -9.869 -31.750 6.047 1.00 0.00 N ATOM 20 CA LYS A 21 -10.176 -31.080 7.346 1.00 0.00 C ATOM 21 C LYS A 21 -9.018 -30.087 7.599 1.00 0.00 C ATOM 22 O LYS A 21 -8.400 -30.024 8.640 1.00 0.00 O ATOM 23 CB LYS A 21 -10.306 -32.235 8.399 1.00 0.00 C ATOM 24 CG LYS A 21 -10.441 -31.713 9.871 1.00 0.00 C ATOM 25 CD LYS A 21 -11.654 -30.734 10.095 1.00 0.00 C ATOM 26 CE LYS A 21 -11.160 -29.546 10.907 1.00 0.00 C ATOM 27 NZ LYS A 21 -12.313 -28.807 11.493 1.00 0.00 N ATOM 0 HA LYS A 21 -11.101 -30.504 7.383 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -11.176 -32.845 8.155 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -9.432 -32.883 8.328 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -10.548 -32.567 10.540 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -9.519 -31.203 10.151 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -12.055 -30.400 9.138 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -12.462 -31.244 10.619 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -10.498 -29.890 11.701 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -10.577 -28.879 10.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -11.961 -28.018 12.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -12.912 -28.435 10.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -12.872 -29.451 12.088 1.00 0.00 H new ATOM 41 N THR A 22 -8.740 -29.312 6.583 1.00 0.00 N ATOM 42 CA THR A 22 -7.653 -28.257 6.661 1.00 0.00 C ATOM 43 C THR A 22 -8.238 -26.861 6.891 1.00 0.00 C ATOM 44 O THR A 22 -7.549 -25.883 6.685 1.00 0.00 O ATOM 45 CB THR A 22 -6.828 -28.237 5.352 1.00 0.00 C ATOM 46 OG1 THR A 22 -7.799 -28.185 4.325 1.00 0.00 O ATOM 47 CG2 THR A 22 -6.154 -29.576 5.122 1.00 0.00 C ATOM 0 H THR A 22 -9.220 -29.357 5.684 1.00 0.00 H new ATOM 0 HA THR A 22 -7.014 -28.516 7.505 1.00 0.00 H new ATOM 0 HB THR A 22 -6.098 -27.428 5.382 1.00 0.00 H new ATOM 0 HG1 THR A 22 -7.352 -28.168 3.453 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.579 -29.540 4.196 1.00 0.00 H new ATOM 0 HG22 THR A 22 -5.486 -29.795 5.955 1.00 0.00 H new ATOM 0 HG23 THR A 22 -6.911 -30.357 5.049 1.00 0.00 H new ATOM 55 N GLU A 23 -9.481 -26.837 7.312 1.00 0.00 N ATOM 56 CA GLU A 23 -10.203 -25.565 7.669 1.00 0.00 C ATOM 57 C GLU A 23 -10.947 -25.731 9.013 1.00 0.00 C ATOM 58 O GLU A 23 -11.314 -26.830 9.397 1.00 0.00 O ATOM 59 CB GLU A 23 -11.253 -25.189 6.588 1.00 0.00 C ATOM 60 CG GLU A 23 -12.464 -26.227 6.504 1.00 0.00 C ATOM 61 CD GLU A 23 -13.780 -25.625 5.956 1.00 0.00 C ATOM 62 OE1 GLU A 23 -13.923 -24.416 6.000 1.00 0.00 O ATOM 63 OE2 GLU A 23 -14.592 -26.429 5.523 1.00 0.00 O ATOM 0 H GLU A 23 -10.048 -27.677 7.428 1.00 0.00 H new ATOM 0 HA GLU A 23 -9.452 -24.778 7.739 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -11.648 -24.196 6.803 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -10.762 -25.133 5.617 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -12.168 -27.062 5.869 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -12.650 -26.632 7.499 1.00 0.00 H new ATOM 70 N TRP A 24 -11.155 -24.642 9.695 1.00 0.00 N ATOM 71 CA TRP A 24 -11.906 -24.689 10.985 1.00 0.00 C ATOM 72 C TRP A 24 -13.054 -23.705 11.086 1.00 0.00 C ATOM 73 O TRP A 24 -13.114 -22.842 11.938 1.00 0.00 O ATOM 74 CB TRP A 24 -10.841 -24.495 12.039 1.00 0.00 C ATOM 75 CG TRP A 24 -10.169 -25.797 12.256 1.00 0.00 C ATOM 76 CD1 TRP A 24 -10.671 -26.586 13.177 1.00 0.00 C ATOM 77 CD2 TRP A 24 -9.097 -26.336 11.688 1.00 0.00 C ATOM 78 NE1 TRP A 24 -9.854 -27.628 13.146 1.00 0.00 N ATOM 79 CE2 TRP A 24 -8.858 -27.560 12.266 1.00 0.00 C ATOM 80 CE3 TRP A 24 -8.292 -25.849 10.690 1.00 0.00 C ATOM 81 CZ2 TRP A 24 -7.776 -28.294 11.831 1.00 0.00 C ATOM 82 CZ3 TRP A 24 -7.221 -26.587 10.265 1.00 0.00 C ATOM 83 CH2 TRP A 24 -6.952 -27.814 10.831 1.00 0.00 C ATOM 0 H TRP A 24 -10.836 -23.714 9.415 1.00 0.00 H new ATOM 0 HA TRP A 24 -12.433 -25.636 11.101 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -10.120 -23.743 11.718 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -11.285 -24.136 12.968 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -11.535 -26.425 13.804 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -9.980 -28.433 13.759 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -8.502 -24.889 10.242 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -7.570 -29.256 12.277 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -6.583 -26.206 9.482 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -6.105 -28.395 10.496 1.00 0.00 H new ATOM 94 N PRO A 25 -13.980 -23.870 10.182 1.00 0.00 N ATOM 95 CA PRO A 25 -15.187 -23.009 10.113 1.00 0.00 C ATOM 96 C PRO A 25 -15.879 -22.997 11.468 1.00 0.00 C ATOM 97 O PRO A 25 -16.400 -21.994 11.907 1.00 0.00 O ATOM 98 CB PRO A 25 -15.958 -23.633 8.962 1.00 0.00 C ATOM 99 CG PRO A 25 -15.471 -25.073 8.869 1.00 0.00 C ATOM 100 CD PRO A 25 -13.980 -24.922 9.135 1.00 0.00 C ATOM 0 HA PRO A 25 -15.026 -21.948 9.919 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -17.032 -23.594 9.144 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -15.773 -23.097 8.031 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -15.954 -25.715 9.606 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -15.668 -25.508 7.889 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -13.528 -25.850 9.484 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -13.432 -24.616 8.244 1.00 0.00 H new ATOM 108 N GLU A 26 -15.846 -24.118 12.126 1.00 0.00 N ATOM 109 CA GLU A 26 -16.446 -24.320 13.471 1.00 0.00 C ATOM 110 C GLU A 26 -16.034 -23.167 14.443 1.00 0.00 C ATOM 111 O GLU A 26 -16.753 -22.764 15.342 1.00 0.00 O ATOM 112 CB GLU A 26 -15.926 -25.677 13.930 1.00 0.00 C ATOM 113 CG GLU A 26 -15.985 -26.808 12.805 1.00 0.00 C ATOM 114 CD GLU A 26 -14.616 -27.078 12.146 1.00 0.00 C ATOM 115 OE1 GLU A 26 -13.632 -27.038 12.864 1.00 0.00 O ATOM 116 OE2 GLU A 26 -14.599 -27.325 10.955 1.00 0.00 O ATOM 0 H GLU A 26 -15.396 -24.957 11.758 1.00 0.00 H new ATOM 0 HA GLU A 26 -17.536 -24.302 13.451 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -14.895 -25.565 14.265 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -16.507 -26.005 14.792 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -16.358 -27.732 13.247 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -16.699 -26.511 12.037 1.00 0.00 H new ATOM 123 N LEU A 27 -14.853 -22.683 14.183 1.00 0.00 N ATOM 124 CA LEU A 27 -14.197 -21.617 14.985 1.00 0.00 C ATOM 125 C LEU A 27 -14.672 -20.207 14.682 1.00 0.00 C ATOM 126 O LEU A 27 -14.598 -19.361 15.554 1.00 0.00 O ATOM 127 CB LEU A 27 -12.677 -21.697 14.745 1.00 0.00 C ATOM 128 CG LEU A 27 -12.077 -23.013 15.172 1.00 0.00 C ATOM 129 CD1 LEU A 27 -10.548 -22.934 15.037 1.00 0.00 C ATOM 130 CD2 LEU A 27 -12.417 -23.328 16.612 1.00 0.00 C ATOM 0 H LEU A 27 -14.285 -23.005 13.399 1.00 0.00 H new ATOM 0 HA LEU A 27 -14.467 -21.802 16.025 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -12.474 -21.539 13.686 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -12.187 -20.888 15.287 1.00 0.00 H new ATOM 0 HG LEU A 27 -12.485 -23.798 14.535 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -10.106 -23.882 15.344 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -10.284 -22.730 13.999 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -10.168 -22.134 15.672 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -11.971 -24.283 16.891 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -12.026 -22.542 17.258 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -13.499 -23.387 16.726 1.00 0.00 H new ATOM 142 N VAL A 28 -15.150 -19.923 13.500 1.00 0.00 N ATOM 143 CA VAL A 28 -15.587 -18.509 13.240 1.00 0.00 C ATOM 144 C VAL A 28 -16.546 -18.089 14.403 1.00 0.00 C ATOM 145 O VAL A 28 -17.388 -18.866 14.846 1.00 0.00 O ATOM 146 CB VAL A 28 -16.271 -18.481 11.834 1.00 0.00 C ATOM 147 CG1 VAL A 28 -16.484 -16.998 11.422 1.00 0.00 C ATOM 148 CG2 VAL A 28 -15.351 -19.120 10.752 1.00 0.00 C ATOM 0 H VAL A 28 -15.257 -20.577 12.725 1.00 0.00 H new ATOM 0 HA VAL A 28 -14.762 -17.797 13.221 1.00 0.00 H new ATOM 0 HB VAL A 28 -17.208 -19.034 11.898 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -16.961 -16.957 10.443 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -17.121 -16.504 12.156 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -15.520 -16.491 11.378 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -15.851 -19.087 9.784 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -14.415 -18.564 10.696 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -15.142 -20.156 11.018 1.00 0.00 H new ATOM 158 N GLY A 29 -16.370 -16.879 14.874 1.00 0.00 N ATOM 159 CA GLY A 29 -17.200 -16.393 16.031 1.00 0.00 C ATOM 160 C GLY A 29 -16.506 -16.630 17.391 1.00 0.00 C ATOM 161 O GLY A 29 -16.928 -16.088 18.392 1.00 0.00 O ATOM 0 H GLY A 29 -15.693 -16.207 14.513 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -17.401 -15.329 15.909 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -18.163 -16.903 16.024 1.00 0.00 H new ATOM 165 N LYS A 30 -15.476 -17.438 17.410 1.00 0.00 N ATOM 166 CA LYS A 30 -14.726 -17.753 18.677 1.00 0.00 C ATOM 167 C LYS A 30 -13.316 -17.154 18.662 1.00 0.00 C ATOM 168 O LYS A 30 -12.858 -16.723 17.628 1.00 0.00 O ATOM 169 CB LYS A 30 -14.527 -19.261 18.847 1.00 0.00 C ATOM 170 CG LYS A 30 -15.839 -20.079 19.104 1.00 0.00 C ATOM 171 CD LYS A 30 -16.705 -20.091 17.834 1.00 0.00 C ATOM 172 CE LYS A 30 -17.699 -21.207 17.850 1.00 0.00 C ATOM 173 NZ LYS A 30 -18.440 -21.094 16.559 1.00 0.00 N ATOM 0 H LYS A 30 -15.110 -17.907 16.581 1.00 0.00 H new ATOM 0 HA LYS A 30 -15.328 -17.334 19.483 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -14.043 -19.651 17.952 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -13.843 -19.430 19.678 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -15.591 -21.100 19.395 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -16.396 -19.639 19.931 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -17.229 -19.139 17.742 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -16.064 -20.188 16.958 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -17.203 -22.174 17.935 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -18.375 -21.119 18.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -19.462 -21.168 16.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -18.231 -20.176 16.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -18.144 -21.860 15.921 1.00 0.00 H new ATOM 187 N SER A 31 -12.667 -17.128 19.790 1.00 0.00 N ATOM 188 CA SER A 31 -11.252 -16.668 19.877 1.00 0.00 C ATOM 189 C SER A 31 -10.224 -17.742 19.713 1.00 0.00 C ATOM 190 O SER A 31 -10.383 -18.952 19.744 1.00 0.00 O ATOM 191 CB SER A 31 -11.133 -15.895 21.232 1.00 0.00 C ATOM 192 OG SER A 31 -11.974 -16.599 22.145 1.00 0.00 O ATOM 0 H SER A 31 -13.070 -17.415 20.682 1.00 0.00 H new ATOM 0 HA SER A 31 -11.026 -16.021 19.029 1.00 0.00 H new ATOM 0 HB2 SER A 31 -10.101 -15.875 21.584 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.453 -14.859 21.123 1.00 0.00 H new ATOM 0 HG SER A 31 -11.582 -17.475 22.342 1.00 0.00 H new ATOM 198 N VAL A 32 -9.114 -17.125 19.482 1.00 0.00 N ATOM 199 CA VAL A 32 -7.878 -17.831 19.209 1.00 0.00 C ATOM 200 C VAL A 32 -7.370 -18.998 20.125 1.00 0.00 C ATOM 201 O VAL A 32 -6.725 -19.918 19.647 1.00 0.00 O ATOM 202 CB VAL A 32 -6.917 -16.663 19.087 1.00 0.00 C ATOM 203 CG1 VAL A 32 -6.696 -15.974 20.471 1.00 0.00 C ATOM 204 CG2 VAL A 32 -5.575 -17.119 18.495 1.00 0.00 C ATOM 0 H VAL A 32 -9.024 -16.109 19.474 1.00 0.00 H new ATOM 0 HA VAL A 32 -8.009 -18.475 18.339 1.00 0.00 H new ATOM 0 HB VAL A 32 -7.362 -15.934 18.410 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -6.003 -15.140 20.356 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -7.649 -15.604 20.850 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -6.281 -16.696 21.175 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -4.903 -16.265 18.417 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.129 -17.874 19.143 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -5.740 -17.543 17.504 1.00 0.00 H new ATOM 214 N GLU A 33 -7.650 -18.977 21.402 1.00 0.00 N ATOM 215 CA GLU A 33 -7.173 -20.060 22.317 1.00 0.00 C ATOM 216 C GLU A 33 -8.075 -21.276 22.088 1.00 0.00 C ATOM 217 O GLU A 33 -7.646 -22.396 21.858 1.00 0.00 O ATOM 218 CB GLU A 33 -7.245 -19.482 23.774 1.00 0.00 C ATOM 219 CG GLU A 33 -8.699 -19.158 24.345 1.00 0.00 C ATOM 220 CD GLU A 33 -9.512 -18.060 23.638 1.00 0.00 C ATOM 221 OE1 GLU A 33 -9.900 -18.282 22.515 1.00 0.00 O ATOM 222 OE2 GLU A 33 -9.735 -17.030 24.231 1.00 0.00 O ATOM 0 H GLU A 33 -8.196 -18.246 21.857 1.00 0.00 H new ATOM 0 HA GLU A 33 -6.147 -20.381 22.137 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -6.766 -20.194 24.446 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -6.655 -18.566 23.806 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -9.283 -20.078 24.319 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -8.594 -18.876 25.393 1.00 0.00 H new ATOM 229 N GLU A 34 -9.329 -20.956 22.147 1.00 0.00 N ATOM 230 CA GLU A 34 -10.441 -21.903 21.931 1.00 0.00 C ATOM 231 C GLU A 34 -10.060 -22.577 20.595 1.00 0.00 C ATOM 232 O GLU A 34 -10.008 -23.791 20.476 1.00 0.00 O ATOM 233 CB GLU A 34 -11.745 -21.069 21.885 1.00 0.00 C ATOM 234 CG GLU A 34 -13.013 -21.884 22.414 1.00 0.00 C ATOM 235 CD GLU A 34 -13.285 -23.219 21.715 1.00 0.00 C ATOM 236 OE1 GLU A 34 -12.815 -23.427 20.616 1.00 0.00 O ATOM 237 OE2 GLU A 34 -13.966 -24.032 22.315 1.00 0.00 O ATOM 0 H GLU A 34 -9.644 -20.008 22.351 1.00 0.00 H new ATOM 0 HA GLU A 34 -10.602 -22.663 22.696 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -11.618 -20.170 22.488 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -11.928 -20.743 20.861 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -12.881 -22.073 23.479 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -13.896 -21.254 22.309 1.00 0.00 H new ATOM 244 N ALA A 35 -9.793 -21.740 19.621 1.00 0.00 N ATOM 245 CA ALA A 35 -9.330 -22.237 18.297 1.00 0.00 C ATOM 246 C ALA A 35 -8.167 -23.235 18.405 1.00 0.00 C ATOM 247 O ALA A 35 -8.322 -24.359 17.980 1.00 0.00 O ATOM 248 CB ALA A 35 -8.926 -21.017 17.481 1.00 0.00 C ATOM 0 H ALA A 35 -9.878 -20.726 19.692 1.00 0.00 H new ATOM 0 HA ALA A 35 -10.138 -22.789 17.816 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -8.578 -21.335 16.498 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -9.785 -20.356 17.365 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -8.125 -20.485 17.994 1.00 0.00 H new ATOM 254 N LYS A 36 -7.042 -22.843 18.966 1.00 0.00 N ATOM 255 CA LYS A 36 -5.884 -23.776 19.058 1.00 0.00 C ATOM 256 C LYS A 36 -6.372 -25.079 19.596 1.00 0.00 C ATOM 257 O LYS A 36 -6.118 -26.124 19.048 1.00 0.00 O ATOM 258 CB LYS A 36 -4.820 -23.174 19.974 1.00 0.00 C ATOM 259 CG LYS A 36 -3.844 -22.258 19.176 1.00 0.00 C ATOM 260 CD LYS A 36 -3.205 -21.289 20.203 1.00 0.00 C ATOM 261 CE LYS A 36 -2.081 -20.435 19.613 1.00 0.00 C ATOM 262 NZ LYS A 36 -0.844 -21.258 19.522 1.00 0.00 N ATOM 0 H LYS A 36 -6.883 -21.916 19.362 1.00 0.00 H new ATOM 0 HA LYS A 36 -5.438 -23.936 18.076 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -5.300 -22.597 20.764 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.259 -23.973 20.459 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -3.079 -22.851 18.675 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -4.377 -21.706 18.402 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -3.978 -20.633 20.603 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -2.812 -21.866 21.040 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -2.364 -20.070 18.626 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -1.906 -19.559 20.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -0.078 -20.794 20.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -1.023 -22.199 19.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -0.565 -21.357 18.525 1.00 0.00 H new ATOM 276 N LYS A 37 -7.099 -24.963 20.658 1.00 0.00 N ATOM 277 CA LYS A 37 -7.613 -26.156 21.322 1.00 0.00 C ATOM 278 C LYS A 37 -8.360 -27.045 20.329 1.00 0.00 C ATOM 279 O LYS A 37 -8.076 -28.218 20.187 1.00 0.00 O ATOM 280 CB LYS A 37 -8.505 -25.675 22.455 1.00 0.00 C ATOM 281 CG LYS A 37 -9.392 -26.822 22.984 1.00 0.00 C ATOM 282 CD LYS A 37 -10.478 -26.240 23.888 1.00 0.00 C ATOM 283 CE LYS A 37 -11.345 -25.162 23.229 1.00 0.00 C ATOM 284 NZ LYS A 37 -11.720 -25.496 21.821 1.00 0.00 N ATOM 0 H LYS A 37 -7.358 -24.078 21.093 1.00 0.00 H new ATOM 0 HA LYS A 37 -6.807 -26.771 21.723 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -7.890 -25.282 23.265 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -9.133 -24.856 22.106 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -9.845 -27.361 22.152 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -8.787 -27.540 23.538 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -11.124 -27.050 24.227 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -10.006 -25.817 24.775 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -12.252 -25.022 23.818 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -10.808 -24.214 23.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -11.218 -24.861 21.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -11.457 -26.481 21.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -12.746 -25.379 21.698 1.00 0.00 H new ATOM 298 N VAL A 38 -9.304 -26.450 19.651 1.00 0.00 N ATOM 299 CA VAL A 38 -10.107 -27.248 18.645 1.00 0.00 C ATOM 300 C VAL A 38 -9.220 -27.821 17.547 1.00 0.00 C ATOM 301 O VAL A 38 -9.181 -29.000 17.267 1.00 0.00 O ATOM 302 CB VAL A 38 -11.156 -26.401 17.891 1.00 0.00 C ATOM 303 CG1 VAL A 38 -11.901 -27.294 16.869 1.00 0.00 C ATOM 304 CG2 VAL A 38 -12.156 -25.770 18.841 1.00 0.00 C ATOM 0 H VAL A 38 -9.560 -25.466 19.738 1.00 0.00 H new ATOM 0 HA VAL A 38 -10.586 -28.020 19.247 1.00 0.00 H new ATOM 0 HB VAL A 38 -10.632 -25.596 17.375 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -12.642 -26.697 16.336 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -11.186 -27.706 16.157 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -12.401 -28.108 17.394 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -12.877 -25.182 18.273 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -12.679 -26.552 19.391 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -11.632 -25.121 19.543 1.00 0.00 H new ATOM 314 N ILE A 39 -8.524 -26.909 16.953 1.00 0.00 N ATOM 315 CA ILE A 39 -7.650 -27.230 15.811 1.00 0.00 C ATOM 316 C ILE A 39 -6.707 -28.345 16.185 1.00 0.00 C ATOM 317 O ILE A 39 -6.469 -29.253 15.431 1.00 0.00 O ATOM 318 CB ILE A 39 -6.912 -25.982 15.453 1.00 0.00 C ATOM 319 CG1 ILE A 39 -7.910 -24.926 14.968 1.00 0.00 C ATOM 320 CG2 ILE A 39 -6.084 -26.331 14.293 1.00 0.00 C ATOM 321 CD1 ILE A 39 -7.186 -23.690 14.410 1.00 0.00 C ATOM 0 H ILE A 39 -8.526 -25.925 17.221 1.00 0.00 H new ATOM 0 HA ILE A 39 -8.227 -27.574 14.953 1.00 0.00 H new ATOM 0 HB ILE A 39 -6.342 -25.606 16.303 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -8.550 -25.354 14.197 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -8.559 -24.629 15.792 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -5.514 -25.457 13.977 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.398 -27.134 14.564 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -6.724 -26.662 13.475 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -7.921 -22.959 14.074 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -6.566 -23.249 15.190 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -6.557 -23.985 13.570 1.00 0.00 H new ATOM 333 N LEU A 40 -6.165 -28.241 17.346 1.00 0.00 N ATOM 334 CA LEU A 40 -5.287 -29.301 17.864 1.00 0.00 C ATOM 335 C LEU A 40 -6.074 -30.586 18.073 1.00 0.00 C ATOM 336 O LEU A 40 -5.532 -31.640 17.815 1.00 0.00 O ATOM 337 CB LEU A 40 -4.695 -28.732 19.132 1.00 0.00 C ATOM 338 CG LEU A 40 -3.675 -27.648 18.755 1.00 0.00 C ATOM 339 CD1 LEU A 40 -3.083 -27.041 20.012 1.00 0.00 C ATOM 340 CD2 LEU A 40 -2.526 -28.268 17.963 1.00 0.00 C ATOM 0 H LEU A 40 -6.295 -27.448 17.974 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.490 -29.580 17.175 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.480 -28.310 19.760 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.213 -29.520 19.711 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.185 -26.889 18.162 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.360 -26.272 19.739 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.878 -26.595 20.610 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.585 -27.818 20.592 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.806 -27.493 17.699 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.034 -29.028 18.570 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.916 -28.726 17.054 1.00 0.00 H new ATOM 352 N GLN A 41 -7.293 -30.509 18.526 1.00 0.00 N ATOM 353 CA GLN A 41 -8.075 -31.784 18.649 1.00 0.00 C ATOM 354 C GLN A 41 -8.153 -32.473 17.272 1.00 0.00 C ATOM 355 O GLN A 41 -7.912 -33.654 17.120 1.00 0.00 O ATOM 356 CB GLN A 41 -9.486 -31.447 19.160 1.00 0.00 C ATOM 357 CG GLN A 41 -10.369 -32.726 19.153 1.00 0.00 C ATOM 358 CD GLN A 41 -11.836 -32.376 19.357 1.00 0.00 C ATOM 359 OE1 GLN A 41 -12.434 -32.645 20.377 1.00 0.00 O ATOM 360 NE2 GLN A 41 -12.452 -31.767 18.392 1.00 0.00 N ATOM 0 H GLN A 41 -7.774 -29.655 18.809 1.00 0.00 H new ATOM 0 HA GLN A 41 -7.588 -32.462 19.350 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -9.429 -31.039 20.169 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -9.937 -30.680 18.531 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -10.245 -33.253 18.207 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -10.040 -33.404 19.941 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -11.953 -31.539 17.532 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -13.436 -31.516 18.493 1.00 0.00 H new ATOM 369 N ASP A 42 -8.503 -31.682 16.313 1.00 0.00 N ATOM 370 CA ASP A 42 -8.638 -32.131 14.890 1.00 0.00 C ATOM 371 C ASP A 42 -7.268 -32.536 14.267 1.00 0.00 C ATOM 372 O ASP A 42 -7.113 -33.557 13.630 1.00 0.00 O ATOM 373 CB ASP A 42 -9.309 -30.946 14.120 1.00 0.00 C ATOM 374 CG ASP A 42 -10.687 -30.516 14.678 1.00 0.00 C ATOM 375 OD1 ASP A 42 -11.032 -30.882 15.801 1.00 0.00 O ATOM 376 OD2 ASP A 42 -11.288 -29.801 13.884 1.00 0.00 O ATOM 0 H ASP A 42 -8.713 -30.694 16.453 1.00 0.00 H new ATOM 0 HA ASP A 42 -9.248 -33.032 14.825 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -8.638 -30.088 14.144 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -9.427 -31.230 13.074 1.00 0.00 H new ATOM 381 N LYS A 43 -6.300 -31.699 14.466 1.00 0.00 N ATOM 382 CA LYS A 43 -4.904 -31.885 13.967 1.00 0.00 C ATOM 383 C LYS A 43 -3.861 -31.806 15.130 1.00 0.00 C ATOM 384 O LYS A 43 -3.127 -30.843 15.231 1.00 0.00 O ATOM 385 CB LYS A 43 -4.708 -30.789 12.904 1.00 0.00 C ATOM 386 CG LYS A 43 -3.401 -31.017 12.112 1.00 0.00 C ATOM 387 CD LYS A 43 -3.396 -29.985 10.957 1.00 0.00 C ATOM 388 CE LYS A 43 -2.299 -30.271 9.933 1.00 0.00 C ATOM 389 NZ LYS A 43 -0.969 -29.893 10.487 1.00 0.00 N ATOM 0 H LYS A 43 -6.424 -30.833 14.990 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.748 -32.874 13.536 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.557 -30.784 12.220 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.681 -29.811 13.385 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -2.531 -30.883 12.754 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.357 -32.034 11.723 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -4.366 -29.994 10.460 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -3.257 -28.984 11.366 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.304 -31.329 9.669 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -2.492 -29.713 9.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -0.282 -30.647 10.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -0.649 -29.006 10.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -1.046 -29.762 11.516 1.00 0.00 H new ATOM 403 N PRO A 44 -3.824 -32.818 15.969 1.00 0.00 N ATOM 404 CA PRO A 44 -2.897 -32.911 17.138 1.00 0.00 C ATOM 405 C PRO A 44 -1.606 -32.056 17.122 1.00 0.00 C ATOM 406 O PRO A 44 -1.312 -31.343 18.059 1.00 0.00 O ATOM 407 CB PRO A 44 -2.665 -34.422 17.206 1.00 0.00 C ATOM 408 CG PRO A 44 -4.093 -34.969 16.954 1.00 0.00 C ATOM 409 CD PRO A 44 -4.690 -34.032 15.871 1.00 0.00 C ATOM 0 HA PRO A 44 -3.333 -32.465 18.032 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -1.957 -34.762 16.450 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -2.272 -34.733 18.174 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -4.066 -36.003 16.611 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -4.690 -34.951 17.866 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -4.646 -34.481 14.879 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -5.736 -33.800 16.070 1.00 0.00 H new ATOM 417 N GLU A 45 -0.877 -32.149 16.050 1.00 0.00 N ATOM 418 CA GLU A 45 0.418 -31.437 15.872 1.00 0.00 C ATOM 419 C GLU A 45 0.399 -29.965 15.411 1.00 0.00 C ATOM 420 O GLU A 45 1.445 -29.365 15.261 1.00 0.00 O ATOM 421 CB GLU A 45 1.198 -32.360 14.906 1.00 0.00 C ATOM 422 CG GLU A 45 0.439 -32.728 13.550 1.00 0.00 C ATOM 423 CD GLU A 45 0.350 -31.642 12.476 1.00 0.00 C ATOM 424 OE1 GLU A 45 -0.003 -30.520 12.776 1.00 0.00 O ATOM 425 OE2 GLU A 45 0.628 -31.969 11.335 1.00 0.00 O ATOM 0 H GLU A 45 -1.141 -32.720 15.247 1.00 0.00 H new ATOM 0 HA GLU A 45 0.878 -31.290 16.849 1.00 0.00 H new ATOM 0 HB2 GLU A 45 2.143 -31.879 14.655 1.00 0.00 H new ATOM 0 HB3 GLU A 45 1.440 -33.285 15.430 1.00 0.00 H new ATOM 0 HG2 GLU A 45 0.933 -33.595 13.112 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -0.576 -33.034 13.804 1.00 0.00 H new ATOM 432 N ALA A 46 -0.751 -29.385 15.197 1.00 0.00 N ATOM 433 CA ALA A 46 -0.789 -27.976 14.701 1.00 0.00 C ATOM 434 C ALA A 46 -0.113 -26.857 15.601 1.00 0.00 C ATOM 435 O ALA A 46 -0.691 -26.256 16.487 1.00 0.00 O ATOM 436 CB ALA A 46 -2.312 -27.713 14.404 1.00 0.00 C ATOM 0 H ALA A 46 -1.661 -29.821 15.343 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.150 -27.888 13.822 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.440 -26.696 14.033 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.664 -28.421 13.653 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.889 -27.840 15.320 1.00 0.00 H new ATOM 442 N GLN A 47 1.139 -26.603 15.322 1.00 0.00 N ATOM 443 CA GLN A 47 1.946 -25.544 16.033 1.00 0.00 C ATOM 444 C GLN A 47 1.431 -24.203 15.428 1.00 0.00 C ATOM 445 O GLN A 47 2.088 -23.486 14.699 1.00 0.00 O ATOM 446 CB GLN A 47 3.439 -25.792 15.710 1.00 0.00 C ATOM 447 CG GLN A 47 4.370 -24.988 16.674 1.00 0.00 C ATOM 448 CD GLN A 47 5.766 -24.858 16.064 1.00 0.00 C ATOM 449 OE1 GLN A 47 6.066 -23.929 15.340 1.00 0.00 O ATOM 450 NE2 GLN A 47 6.657 -25.760 16.312 1.00 0.00 N ATOM 0 H GLN A 47 1.662 -27.102 14.603 1.00 0.00 H new ATOM 0 HA GLN A 47 1.845 -25.542 17.118 1.00 0.00 H new ATOM 0 HB2 GLN A 47 3.659 -26.856 15.792 1.00 0.00 H new ATOM 0 HB3 GLN A 47 3.643 -25.503 14.679 1.00 0.00 H new ATOM 0 HG2 GLN A 47 3.950 -23.999 16.857 1.00 0.00 H new ATOM 0 HG3 GLN A 47 4.431 -25.492 17.639 1.00 0.00 H new ATOM 0 HE21 GLN A 47 6.429 -26.549 16.917 1.00 0.00 H new ATOM 0 HE22 GLN A 47 7.588 -25.683 15.903 1.00 0.00 H new ATOM 459 N ILE A 48 0.220 -23.931 15.815 1.00 0.00 N ATOM 460 CA ILE A 48 -0.595 -22.766 15.331 1.00 0.00 C ATOM 461 C ILE A 48 -0.198 -21.391 15.828 1.00 0.00 C ATOM 462 O ILE A 48 0.142 -21.220 16.974 1.00 0.00 O ATOM 463 CB ILE A 48 -2.006 -23.084 15.731 1.00 0.00 C ATOM 464 CG1 ILE A 48 -2.476 -24.256 14.907 1.00 0.00 C ATOM 465 CG2 ILE A 48 -2.999 -21.877 15.614 1.00 0.00 C ATOM 466 CD1 ILE A 48 -3.597 -24.994 15.575 1.00 0.00 C ATOM 0 H ILE A 48 -0.277 -24.507 16.495 1.00 0.00 H new ATOM 0 HA ILE A 48 -0.436 -22.672 14.257 1.00 0.00 H new ATOM 0 HB ILE A 48 -2.000 -23.329 16.793 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -2.805 -23.904 13.929 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -1.643 -24.938 14.737 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -3.995 -22.194 15.922 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -2.662 -21.065 16.258 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -3.032 -21.532 14.581 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -3.906 -25.831 14.949 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.261 -25.369 16.542 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -4.441 -24.319 15.721 1.00 0.00 H new ATOM 478 N ILE A 49 -0.285 -20.446 14.943 1.00 0.00 N ATOM 479 CA ILE A 49 0.069 -19.046 15.288 1.00 0.00 C ATOM 480 C ILE A 49 -1.102 -18.167 14.933 1.00 0.00 C ATOM 481 O ILE A 49 -1.933 -18.473 14.099 1.00 0.00 O ATOM 482 CB ILE A 49 1.357 -18.695 14.526 1.00 0.00 C ATOM 483 CG1 ILE A 49 2.576 -18.562 15.502 1.00 0.00 C ATOM 484 CG2 ILE A 49 1.247 -17.332 13.837 1.00 0.00 C ATOM 485 CD1 ILE A 49 2.726 -19.728 16.500 1.00 0.00 C ATOM 0 H ILE A 49 -0.591 -20.585 13.980 1.00 0.00 H new ATOM 0 HA ILE A 49 0.265 -18.901 16.350 1.00 0.00 H new ATOM 0 HB ILE A 49 1.499 -19.500 13.805 1.00 0.00 H new ATOM 0 HG12 ILE A 49 3.490 -18.485 14.913 1.00 0.00 H new ATOM 0 HG13 ILE A 49 2.477 -17.632 16.062 1.00 0.00 H new ATOM 0 HG21 ILE A 49 2.175 -17.116 13.308 1.00 0.00 H new ATOM 0 HG22 ILE A 49 0.420 -17.349 13.127 1.00 0.00 H new ATOM 0 HG23 ILE A 49 1.067 -16.560 14.585 1.00 0.00 H new ATOM 0 HD11 ILE A 49 3.594 -19.553 17.136 1.00 0.00 H new ATOM 0 HD12 ILE A 49 1.831 -19.795 17.118 1.00 0.00 H new ATOM 0 HD13 ILE A 49 2.859 -20.661 15.952 1.00 0.00 H new ATOM 497 N VAL A 50 -1.103 -17.070 15.608 1.00 0.00 N ATOM 498 CA VAL A 50 -2.184 -16.088 15.411 1.00 0.00 C ATOM 499 C VAL A 50 -1.607 -14.960 14.573 1.00 0.00 C ATOM 500 O VAL A 50 -0.457 -14.584 14.709 1.00 0.00 O ATOM 501 CB VAL A 50 -2.621 -15.626 16.800 1.00 0.00 C ATOM 502 CG1 VAL A 50 -1.522 -14.785 17.474 1.00 0.00 C ATOM 503 CG2 VAL A 50 -3.880 -14.784 16.660 1.00 0.00 C ATOM 0 H VAL A 50 -0.396 -16.807 16.294 1.00 0.00 H new ATOM 0 HA VAL A 50 -3.056 -16.487 14.893 1.00 0.00 H new ATOM 0 HB VAL A 50 -2.810 -16.503 17.419 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -1.859 -14.469 18.461 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -0.616 -15.383 17.574 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -1.311 -13.906 16.865 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -4.204 -14.447 17.645 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.671 -13.919 16.031 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.669 -15.382 16.204 1.00 0.00 H new ATOM 513 N LEU A 51 -2.441 -14.467 13.712 1.00 0.00 N ATOM 514 CA LEU A 51 -2.048 -13.344 12.843 1.00 0.00 C ATOM 515 C LEU A 51 -3.283 -12.395 12.852 1.00 0.00 C ATOM 516 O LEU A 51 -4.379 -12.842 12.552 1.00 0.00 O ATOM 517 CB LEU A 51 -1.736 -13.967 11.460 1.00 0.00 C ATOM 518 CG LEU A 51 -0.418 -14.834 11.346 1.00 0.00 C ATOM 519 CD1 LEU A 51 -0.623 -16.274 10.658 1.00 0.00 C ATOM 520 CD2 LEU A 51 0.568 -13.958 10.502 1.00 0.00 C ATOM 0 H LEU A 51 -3.394 -14.803 13.574 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.169 -12.776 13.148 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.580 -14.594 11.172 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.675 -13.160 10.730 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.049 -15.071 12.344 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.332 -16.799 10.622 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.336 -16.857 11.241 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.004 -16.142 9.645 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.511 -14.490 10.376 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.131 -13.758 9.524 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.749 -13.015 11.018 1.00 0.00 H new ATOM 532 N PRO A 52 -3.163 -11.128 13.187 1.00 0.00 N ATOM 533 CA PRO A 52 -4.371 -10.245 13.167 1.00 0.00 C ATOM 534 C PRO A 52 -4.833 -10.064 11.704 1.00 0.00 C ATOM 535 O PRO A 52 -4.024 -9.840 10.821 1.00 0.00 O ATOM 536 CB PRO A 52 -3.889 -8.960 13.849 1.00 0.00 C ATOM 537 CG PRO A 52 -2.392 -8.912 13.441 1.00 0.00 C ATOM 538 CD PRO A 52 -1.933 -10.390 13.602 1.00 0.00 C ATOM 0 HA PRO A 52 -5.246 -10.634 13.687 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -4.435 -8.084 13.498 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -4.015 -9.002 14.931 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -2.265 -8.560 12.417 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -1.821 -8.241 14.082 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -1.079 -10.626 12.967 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -1.642 -10.620 14.627 1.00 0.00 H new ATOM 546 N VAL A 53 -6.113 -10.175 11.480 1.00 0.00 N ATOM 547 CA VAL A 53 -6.678 -10.006 10.111 1.00 0.00 C ATOM 548 C VAL A 53 -6.096 -8.835 9.386 1.00 0.00 C ATOM 549 O VAL A 53 -6.161 -7.701 9.833 1.00 0.00 O ATOM 550 CB VAL A 53 -8.180 -9.916 10.247 1.00 0.00 C ATOM 551 CG1 VAL A 53 -8.773 -9.122 9.066 1.00 0.00 C ATOM 552 CG2 VAL A 53 -8.672 -11.361 10.089 1.00 0.00 C ATOM 0 H VAL A 53 -6.804 -10.380 12.202 1.00 0.00 H new ATOM 0 HA VAL A 53 -6.412 -10.865 9.495 1.00 0.00 H new ATOM 0 HB VAL A 53 -8.463 -9.440 11.186 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -9.856 -9.063 9.174 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -8.354 -8.116 9.057 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -8.529 -9.625 8.130 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -9.758 -11.387 10.175 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -8.376 -11.741 9.111 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -8.232 -11.983 10.869 1.00 0.00 H new ATOM 562 N GLY A 54 -5.571 -9.226 8.258 1.00 0.00 N ATOM 563 CA GLY A 54 -4.801 -8.240 7.407 1.00 0.00 C ATOM 564 C GLY A 54 -3.326 -8.644 7.188 1.00 0.00 C ATOM 565 O GLY A 54 -2.800 -8.383 6.127 1.00 0.00 O ATOM 0 H GLY A 54 -5.634 -10.172 7.881 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -5.292 -8.145 6.439 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -4.835 -7.258 7.879 1.00 0.00 H new ATOM 569 N THR A 55 -2.691 -9.240 8.173 1.00 0.00 N ATOM 570 CA THR A 55 -1.282 -9.741 8.090 1.00 0.00 C ATOM 571 C THR A 55 -1.076 -10.549 6.806 1.00 0.00 C ATOM 572 O THR A 55 -1.202 -11.755 6.797 1.00 0.00 O ATOM 573 CB THR A 55 -1.122 -10.535 9.297 1.00 0.00 C ATOM 574 OG1 THR A 55 -1.432 -9.698 10.412 1.00 0.00 O ATOM 575 CG2 THR A 55 0.175 -10.878 9.651 1.00 0.00 C ATOM 0 H THR A 55 -3.122 -9.407 9.082 1.00 0.00 H new ATOM 0 HA THR A 55 -0.536 -8.948 8.039 1.00 0.00 H new ATOM 0 HB THR A 55 -1.728 -11.418 9.092 1.00 0.00 H new ATOM 0 HG1 THR A 55 -2.298 -9.961 10.787 1.00 0.00 H new ATOM 0 HG21 THR A 55 0.158 -11.468 10.567 1.00 0.00 H new ATOM 0 HG22 THR A 55 0.628 -11.463 8.851 1.00 0.00 H new ATOM 0 HG23 THR A 55 0.759 -9.972 9.814 1.00 0.00 H new ATOM 583 N ILE A 56 -0.774 -9.871 5.731 1.00 0.00 N ATOM 584 CA ILE A 56 -0.562 -10.591 4.431 1.00 0.00 C ATOM 585 C ILE A 56 0.461 -11.709 4.546 1.00 0.00 C ATOM 586 O ILE A 56 1.666 -11.549 4.480 1.00 0.00 O ATOM 587 CB ILE A 56 -0.085 -9.631 3.321 1.00 0.00 C ATOM 588 CG1 ILE A 56 -1.125 -8.510 3.132 1.00 0.00 C ATOM 589 CG2 ILE A 56 0.079 -10.455 1.994 1.00 0.00 C ATOM 590 CD1 ILE A 56 -2.489 -9.022 2.603 1.00 0.00 C ATOM 0 H ILE A 56 -0.665 -8.858 5.691 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.533 -11.014 4.174 1.00 0.00 H new ATOM 0 HB ILE A 56 0.869 -9.177 3.590 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.280 -8.003 4.084 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -0.729 -7.769 2.437 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.416 -9.795 1.195 1.00 0.00 H new ATOM 0 HG22 ILE A 56 0.814 -11.246 2.145 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.879 -10.897 1.720 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -3.175 -8.182 2.493 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.346 -9.504 1.636 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.906 -9.741 3.308 1.00 0.00 H new ATOM 602 N VAL A 57 -0.123 -12.848 4.717 1.00 0.00 N ATOM 603 CA VAL A 57 0.699 -14.076 4.822 1.00 0.00 C ATOM 604 C VAL A 57 0.693 -14.693 3.427 1.00 0.00 C ATOM 605 O VAL A 57 0.150 -14.187 2.461 1.00 0.00 O ATOM 606 CB VAL A 57 0.104 -15.093 5.879 1.00 0.00 C ATOM 607 CG1 VAL A 57 0.310 -14.520 7.270 1.00 0.00 C ATOM 608 CG2 VAL A 57 -1.371 -15.347 5.619 1.00 0.00 C ATOM 0 H VAL A 57 -1.131 -12.986 4.789 1.00 0.00 H new ATOM 0 HA VAL A 57 1.707 -13.841 5.164 1.00 0.00 H new ATOM 0 HB VAL A 57 0.619 -16.050 5.792 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -0.095 -15.209 8.011 1.00 0.00 H new ATOM 0 HG12 VAL A 57 1.375 -14.378 7.451 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -0.203 -13.561 7.348 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.755 -16.049 6.359 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -1.920 -14.408 5.690 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.498 -15.766 4.621 1.00 0.00 H new ATOM 618 N THR A 58 1.315 -15.810 3.390 1.00 0.00 N ATOM 619 CA THR A 58 1.612 -16.540 2.159 1.00 0.00 C ATOM 620 C THR A 58 0.527 -17.536 1.705 1.00 0.00 C ATOM 621 O THR A 58 -0.140 -18.143 2.519 1.00 0.00 O ATOM 622 CB THR A 58 2.979 -17.180 2.472 1.00 0.00 C ATOM 623 OG1 THR A 58 3.350 -17.016 3.844 1.00 0.00 O ATOM 624 CG2 THR A 58 4.133 -16.480 1.760 1.00 0.00 C ATOM 0 H THR A 58 1.654 -16.280 4.229 1.00 0.00 H new ATOM 0 HA THR A 58 1.636 -15.887 1.287 1.00 0.00 H new ATOM 0 HB THR A 58 2.844 -18.218 2.168 1.00 0.00 H new ATOM 0 HG1 THR A 58 4.221 -17.437 4.000 1.00 0.00 H new ATOM 0 HG21 THR A 58 5.071 -16.972 2.017 1.00 0.00 H new ATOM 0 HG22 THR A 58 3.980 -16.531 0.682 1.00 0.00 H new ATOM 0 HG23 THR A 58 4.174 -15.436 2.072 1.00 0.00 H new ATOM 632 N MET A 59 0.368 -17.712 0.414 1.00 0.00 N ATOM 633 CA MET A 59 -0.657 -18.696 -0.111 1.00 0.00 C ATOM 634 C MET A 59 -0.056 -20.113 -0.332 1.00 0.00 C ATOM 635 O MET A 59 -0.387 -20.881 -1.219 1.00 0.00 O ATOM 636 CB MET A 59 -1.234 -18.123 -1.433 1.00 0.00 C ATOM 637 CG MET A 59 -2.058 -16.861 -1.112 1.00 0.00 C ATOM 638 SD MET A 59 -3.020 -16.139 -2.464 1.00 0.00 S ATOM 639 CE MET A 59 -4.564 -17.069 -2.258 1.00 0.00 C ATOM 0 H MET A 59 0.899 -17.221 -0.305 1.00 0.00 H new ATOM 0 HA MET A 59 -1.448 -18.819 0.629 1.00 0.00 H new ATOM 0 HB2 MET A 59 -0.426 -17.880 -2.123 1.00 0.00 H new ATOM 0 HB3 MET A 59 -1.860 -18.867 -1.925 1.00 0.00 H new ATOM 0 HG2 MET A 59 -2.744 -17.102 -0.300 1.00 0.00 H new ATOM 0 HG3 MET A 59 -1.376 -16.098 -0.737 1.00 0.00 H new ATOM 0 HE1 MET A 59 -5.283 -16.753 -3.014 1.00 0.00 H new ATOM 0 HE2 MET A 59 -4.365 -18.135 -2.370 1.00 0.00 H new ATOM 0 HE3 MET A 59 -4.974 -16.879 -1.266 1.00 0.00 H new ATOM 649 N GLU A 60 0.846 -20.340 0.577 1.00 0.00 N ATOM 650 CA GLU A 60 1.678 -21.551 0.792 1.00 0.00 C ATOM 651 C GLU A 60 0.998 -22.690 1.614 1.00 0.00 C ATOM 652 O GLU A 60 -0.204 -22.749 1.811 1.00 0.00 O ATOM 653 CB GLU A 60 2.927 -21.027 1.482 1.00 0.00 C ATOM 654 CG GLU A 60 2.535 -20.642 2.944 1.00 0.00 C ATOM 655 CD GLU A 60 3.668 -20.161 3.816 1.00 0.00 C ATOM 656 OE1 GLU A 60 4.706 -19.816 3.299 1.00 0.00 O ATOM 657 OE2 GLU A 60 3.437 -20.155 5.009 1.00 0.00 O ATOM 0 H GLU A 60 1.061 -19.625 1.272 1.00 0.00 H new ATOM 0 HA GLU A 60 1.877 -22.042 -0.161 1.00 0.00 H new ATOM 0 HB2 GLU A 60 3.710 -21.785 1.483 1.00 0.00 H new ATOM 0 HB3 GLU A 60 3.322 -20.161 0.951 1.00 0.00 H new ATOM 0 HG2 GLU A 60 1.774 -19.862 2.904 1.00 0.00 H new ATOM 0 HG3 GLU A 60 2.077 -21.510 3.419 1.00 0.00 H new ATOM 664 N TYR A 61 1.847 -23.576 2.080 1.00 0.00 N ATOM 665 CA TYR A 61 1.441 -24.756 2.902 1.00 0.00 C ATOM 666 C TYR A 61 2.440 -24.990 4.080 1.00 0.00 C ATOM 667 O TYR A 61 3.143 -25.980 4.085 1.00 0.00 O ATOM 668 CB TYR A 61 1.367 -25.933 1.885 1.00 0.00 C ATOM 669 CG TYR A 61 0.396 -27.025 2.272 1.00 0.00 C ATOM 670 CD1 TYR A 61 0.078 -27.372 3.555 1.00 0.00 C ATOM 671 CD2 TYR A 61 -0.178 -27.687 1.233 1.00 0.00 C ATOM 672 CE1 TYR A 61 -0.827 -28.390 3.774 1.00 0.00 C ATOM 673 CE2 TYR A 61 -1.086 -28.710 1.443 1.00 0.00 C ATOM 674 CZ TYR A 61 -1.414 -29.067 2.732 1.00 0.00 C ATOM 675 OH TYR A 61 -2.300 -30.082 3.015 1.00 0.00 O ATOM 0 H TYR A 61 2.852 -23.523 1.914 1.00 0.00 H new ATOM 0 HA TYR A 61 0.481 -24.627 3.401 1.00 0.00 H new ATOM 0 HB2 TYR A 61 1.083 -25.538 0.909 1.00 0.00 H new ATOM 0 HB3 TYR A 61 2.361 -26.367 1.776 1.00 0.00 H new ATOM 0 HD1 TYR A 61 0.530 -26.855 4.388 1.00 0.00 H new ATOM 0 HD2 TYR A 61 0.080 -27.409 0.222 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -1.080 -28.661 4.788 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -1.533 -29.223 0.604 1.00 0.00 H new ATOM 0 HH TYR A 61 -2.635 -30.467 2.178 1.00 0.00 H new ATOM 685 N ARG A 62 2.525 -24.122 5.055 1.00 0.00 N ATOM 686 CA ARG A 62 3.465 -24.407 6.203 1.00 0.00 C ATOM 687 C ARG A 62 2.649 -25.193 7.225 1.00 0.00 C ATOM 688 O ARG A 62 2.317 -24.816 8.333 1.00 0.00 O ATOM 689 CB ARG A 62 4.012 -23.072 6.814 1.00 0.00 C ATOM 690 CG ARG A 62 5.574 -23.102 6.750 1.00 0.00 C ATOM 691 CD ARG A 62 6.120 -22.792 5.345 1.00 0.00 C ATOM 692 NE ARG A 62 6.056 -21.303 5.203 1.00 0.00 N ATOM 693 CZ ARG A 62 7.113 -20.600 5.072 1.00 0.00 C ATOM 694 NH1 ARG A 62 7.948 -20.639 6.018 1.00 0.00 N ATOM 695 NH2 ARG A 62 7.274 -19.907 4.023 1.00 0.00 N ATOM 0 H ARG A 62 2.003 -23.248 5.116 1.00 0.00 H new ATOM 0 HA ARG A 62 4.337 -24.975 5.879 1.00 0.00 H new ATOM 0 HB2 ARG A 62 3.626 -22.216 6.260 1.00 0.00 H new ATOM 0 HB3 ARG A 62 3.677 -22.962 7.845 1.00 0.00 H new ATOM 0 HG2 ARG A 62 5.976 -22.378 7.459 1.00 0.00 H new ATOM 0 HG3 ARG A 62 5.927 -24.085 7.063 1.00 0.00 H new ATOM 0 HD2 ARG A 62 7.143 -23.152 5.235 1.00 0.00 H new ATOM 0 HD3 ARG A 62 5.524 -23.284 4.576 1.00 0.00 H new ATOM 0 HE ARG A 62 5.147 -20.840 5.211 1.00 0.00 H new ATOM 0 HH11 ARG A 62 7.762 -21.215 6.839 1.00 0.00 H new ATOM 0 HH12 ARG A 62 8.809 -20.095 5.961 1.00 0.00 H new ATOM 0 HH21 ARG A 62 6.562 -19.914 3.293 1.00 0.00 H new ATOM 0 HH22 ARG A 62 8.116 -19.342 3.909 1.00 0.00 H new ATOM 709 N ILE A 63 2.339 -26.353 6.738 1.00 0.00 N ATOM 710 CA ILE A 63 1.529 -27.390 7.445 1.00 0.00 C ATOM 711 C ILE A 63 1.791 -27.668 8.920 1.00 0.00 C ATOM 712 O ILE A 63 1.010 -28.378 9.519 1.00 0.00 O ATOM 713 CB ILE A 63 1.691 -28.642 6.509 1.00 0.00 C ATOM 714 CG1 ILE A 63 1.077 -29.905 7.038 1.00 0.00 C ATOM 715 CG2 ILE A 63 3.188 -28.961 6.356 1.00 0.00 C ATOM 716 CD1 ILE A 63 -0.425 -29.880 7.256 1.00 0.00 C ATOM 0 H ILE A 63 2.636 -26.649 5.808 1.00 0.00 H new ATOM 0 HA ILE A 63 0.507 -27.034 7.571 1.00 0.00 H new ATOM 0 HB ILE A 63 1.188 -28.366 5.582 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.309 -30.715 6.346 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.557 -30.148 7.986 1.00 0.00 H new ATOM 0 HG21 ILE A 63 3.311 -29.829 5.708 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.699 -28.105 5.917 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.616 -29.176 7.335 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.753 -30.846 7.639 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.675 -29.100 7.975 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.927 -29.676 6.310 1.00 0.00 H new ATOM 728 N ASP A 64 2.817 -27.128 9.501 1.00 0.00 N ATOM 729 CA ASP A 64 3.058 -27.387 10.944 1.00 0.00 C ATOM 730 C ASP A 64 2.149 -26.454 11.756 1.00 0.00 C ATOM 731 O ASP A 64 2.077 -26.532 12.962 1.00 0.00 O ATOM 732 CB ASP A 64 4.561 -27.101 11.213 1.00 0.00 C ATOM 733 CG ASP A 64 4.990 -25.627 11.136 1.00 0.00 C ATOM 734 OD1 ASP A 64 4.222 -24.708 10.905 1.00 0.00 O ATOM 735 OD2 ASP A 64 6.172 -25.434 11.333 1.00 0.00 O ATOM 0 H ASP A 64 3.498 -26.521 9.044 1.00 0.00 H new ATOM 0 HA ASP A 64 2.831 -28.414 11.230 1.00 0.00 H new ATOM 0 HB2 ASP A 64 4.811 -27.480 12.204 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.153 -27.669 10.495 1.00 0.00 H new ATOM 740 N ARG A 65 1.480 -25.588 11.038 1.00 0.00 N ATOM 741 CA ARG A 65 0.627 -24.494 11.621 1.00 0.00 C ATOM 742 C ARG A 65 -0.758 -24.191 10.999 1.00 0.00 C ATOM 743 O ARG A 65 -0.915 -24.325 9.798 1.00 0.00 O ATOM 744 CB ARG A 65 1.588 -23.390 11.517 1.00 0.00 C ATOM 745 CG ARG A 65 1.358 -22.004 12.201 1.00 0.00 C ATOM 746 CD ARG A 65 2.692 -21.174 12.033 1.00 0.00 C ATOM 747 NE ARG A 65 3.822 -22.203 12.094 1.00 0.00 N ATOM 748 CZ ARG A 65 4.613 -22.489 13.081 1.00 0.00 C ATOM 749 NH1 ARG A 65 4.514 -22.002 14.250 1.00 0.00 N ATOM 750 NH2 ARG A 65 5.533 -23.332 12.840 1.00 0.00 N ATOM 0 H ARG A 65 1.489 -25.593 10.018 1.00 0.00 H new ATOM 0 HA ARG A 65 0.250 -24.749 12.612 1.00 0.00 H new ATOM 0 HB2 ARG A 65 2.538 -23.769 11.893 1.00 0.00 H new ATOM 0 HB3 ARG A 65 1.722 -23.193 10.453 1.00 0.00 H new ATOM 0 HG2 ARG A 65 0.519 -21.482 11.740 1.00 0.00 H new ATOM 0 HG3 ARG A 65 1.114 -22.131 13.256 1.00 0.00 H new ATOM 0 HD2 ARG A 65 2.702 -20.635 11.086 1.00 0.00 H new ATOM 0 HD3 ARG A 65 2.794 -20.431 12.824 1.00 0.00 H new ATOM 0 HE ARG A 65 3.975 -22.739 11.240 1.00 0.00 H new ATOM 0 HH11 ARG A 65 3.772 -21.336 14.464 1.00 0.00 H new ATOM 0 HH12 ARG A 65 5.177 -22.277 14.975 1.00 0.00 H new ATOM 0 HH21 ARG A 65 5.617 -23.743 11.910 1.00 0.00 H new ATOM 0 HH22 ARG A 65 6.187 -23.598 13.576 1.00 0.00 H new ATOM 764 N VAL A 66 -1.725 -23.769 11.790 1.00 0.00 N ATOM 765 CA VAL A 66 -3.009 -23.351 11.137 1.00 0.00 C ATOM 766 C VAL A 66 -2.822 -21.825 11.181 1.00 0.00 C ATOM 767 O VAL A 66 -2.320 -21.248 12.131 1.00 0.00 O ATOM 768 CB VAL A 66 -4.263 -23.862 11.945 1.00 0.00 C ATOM 769 CG1 VAL A 66 -5.622 -23.792 11.180 1.00 0.00 C ATOM 770 CG2 VAL A 66 -4.150 -25.332 11.990 1.00 0.00 C ATOM 0 H VAL A 66 -1.686 -23.698 12.807 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.195 -23.749 10.139 1.00 0.00 H new ATOM 0 HB VAL A 66 -4.264 -23.271 12.861 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -6.420 -24.166 11.821 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -5.832 -22.758 10.904 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -5.564 -24.403 10.279 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -4.995 -25.745 12.540 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.149 -25.728 10.975 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.222 -25.610 12.489 1.00 0.00 H new ATOM 780 N ARG A 67 -3.225 -21.223 10.112 1.00 0.00 N ATOM 781 CA ARG A 67 -3.068 -19.760 9.912 1.00 0.00 C ATOM 782 C ARG A 67 -4.358 -19.212 10.512 1.00 0.00 C ATOM 783 O ARG A 67 -5.425 -19.593 10.049 1.00 0.00 O ATOM 784 CB ARG A 67 -2.954 -19.549 8.393 1.00 0.00 C ATOM 785 CG ARG A 67 -2.144 -18.308 7.975 1.00 0.00 C ATOM 786 CD ARG A 67 -0.619 -18.495 8.199 1.00 0.00 C ATOM 787 NE ARG A 67 -0.300 -19.823 7.605 1.00 0.00 N ATOM 788 CZ ARG A 67 0.382 -20.753 8.173 1.00 0.00 C ATOM 789 NH1 ARG A 67 0.128 -21.105 9.356 1.00 0.00 N ATOM 790 NH2 ARG A 67 1.304 -21.340 7.539 1.00 0.00 N ATOM 0 H ARG A 67 -3.677 -21.702 9.333 1.00 0.00 H new ATOM 0 HA ARG A 67 -2.202 -19.278 10.365 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -2.494 -20.432 7.951 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -3.957 -19.469 7.975 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -2.330 -18.093 6.923 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -2.489 -17.444 8.543 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -0.049 -17.700 7.717 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -0.370 -18.467 9.260 1.00 0.00 H new ATOM 0 HE ARG A 67 -0.653 -20.011 6.667 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -0.625 -20.651 9.873 1.00 0.00 H new ATOM 0 HH12 ARG A 67 0.676 -21.844 9.797 1.00 0.00 H new ATOM 0 HH21 ARG A 67 1.508 -21.076 6.575 1.00 0.00 H new ATOM 0 HH22 ARG A 67 1.844 -22.078 7.991 1.00 0.00 H new ATOM 804 N LEU A 68 -4.205 -18.385 11.510 1.00 0.00 N ATOM 805 CA LEU A 68 -5.388 -17.802 12.161 1.00 0.00 C ATOM 806 C LEU A 68 -5.552 -16.314 11.925 1.00 0.00 C ATOM 807 O LEU A 68 -5.025 -15.529 12.693 1.00 0.00 O ATOM 808 CB LEU A 68 -5.292 -18.120 13.693 1.00 0.00 C ATOM 809 CG LEU A 68 -6.124 -19.374 14.024 1.00 0.00 C ATOM 810 CD1 LEU A 68 -5.984 -19.731 15.513 1.00 0.00 C ATOM 811 CD2 LEU A 68 -7.600 -19.017 13.826 1.00 0.00 C ATOM 0 H LEU A 68 -3.307 -18.094 11.896 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.276 -18.251 11.717 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.251 -18.279 13.975 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.653 -17.270 14.273 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.788 -20.197 13.393 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -6.577 -20.619 15.732 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.937 -19.929 15.743 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -6.338 -18.899 16.122 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -8.218 -19.886 14.053 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -7.868 -18.197 14.492 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -7.766 -18.714 12.792 1.00 0.00 H new ATOM 823 N PHE A 69 -6.228 -15.996 10.842 1.00 0.00 N ATOM 824 CA PHE A 69 -6.597 -14.572 10.680 1.00 0.00 C ATOM 825 C PHE A 69 -7.863 -14.318 11.516 1.00 0.00 C ATOM 826 O PHE A 69 -9.024 -14.583 11.223 1.00 0.00 O ATOM 827 CB PHE A 69 -6.721 -14.280 9.092 1.00 0.00 C ATOM 828 CG PHE A 69 -5.267 -14.150 8.838 1.00 0.00 C ATOM 829 CD1 PHE A 69 -4.771 -13.017 9.400 1.00 0.00 C ATOM 830 CD2 PHE A 69 -4.441 -15.041 8.198 1.00 0.00 C ATOM 831 CE1 PHE A 69 -3.479 -12.740 9.350 1.00 0.00 C ATOM 832 CE2 PHE A 69 -3.137 -14.754 8.152 1.00 0.00 C ATOM 833 CZ PHE A 69 -2.635 -13.625 8.703 1.00 0.00 C ATOM 0 H PHE A 69 -6.523 -16.634 10.103 1.00 0.00 H new ATOM 0 HA PHE A 69 -5.854 -13.867 11.054 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -7.186 -15.095 8.537 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -7.283 -13.375 8.861 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -5.443 -12.332 9.896 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -4.832 -15.942 7.748 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -3.090 -11.841 9.805 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -2.465 -15.442 7.661 1.00 0.00 H new ATOM 0 HZ PHE A 69 -1.578 -13.415 8.638 1.00 0.00 H new ATOM 843 N VAL A 70 -7.455 -13.762 12.632 1.00 0.00 N ATOM 844 CA VAL A 70 -8.445 -13.421 13.710 1.00 0.00 C ATOM 845 C VAL A 70 -8.727 -11.929 13.591 1.00 0.00 C ATOM 846 O VAL A 70 -8.045 -11.255 12.858 1.00 0.00 O ATOM 847 CB VAL A 70 -7.850 -13.748 15.117 1.00 0.00 C ATOM 848 CG1 VAL A 70 -7.277 -15.152 15.167 1.00 0.00 C ATOM 849 CG2 VAL A 70 -6.689 -12.841 15.522 1.00 0.00 C ATOM 0 H VAL A 70 -6.485 -13.530 12.845 1.00 0.00 H new ATOM 0 HA VAL A 70 -9.360 -14.003 13.597 1.00 0.00 H new ATOM 0 HB VAL A 70 -8.696 -13.611 15.791 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -6.872 -15.345 16.160 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -8.064 -15.874 14.950 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -6.483 -15.247 14.427 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -6.329 -13.129 16.510 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -5.880 -12.940 14.798 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -7.028 -11.805 15.547 1.00 0.00 H new ATOM 859 N ASP A 71 -9.662 -11.355 14.275 1.00 0.00 N ATOM 860 CA ASP A 71 -9.912 -9.919 14.015 1.00 0.00 C ATOM 861 C ASP A 71 -9.021 -9.056 14.879 1.00 0.00 C ATOM 862 O ASP A 71 -7.851 -9.297 15.119 1.00 0.00 O ATOM 863 CB ASP A 71 -11.411 -9.658 14.278 1.00 0.00 C ATOM 864 CG ASP A 71 -11.761 -9.656 15.743 1.00 0.00 C ATOM 865 OD1 ASP A 71 -11.247 -10.505 16.457 1.00 0.00 O ATOM 866 OD2 ASP A 71 -12.535 -8.761 16.023 1.00 0.00 O ATOM 0 H ASP A 71 -10.249 -11.798 14.982 1.00 0.00 H new ATOM 0 HA ASP A 71 -9.673 -9.660 12.983 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -11.689 -8.698 13.843 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -12.001 -10.421 13.770 1.00 0.00 H new ATOM 871 N LYS A 72 -9.667 -8.028 15.296 1.00 0.00 N ATOM 872 CA LYS A 72 -9.023 -7.036 16.182 1.00 0.00 C ATOM 873 C LYS A 72 -9.318 -7.289 17.667 1.00 0.00 C ATOM 874 O LYS A 72 -9.000 -6.505 18.536 1.00 0.00 O ATOM 875 CB LYS A 72 -9.505 -5.668 15.661 1.00 0.00 C ATOM 876 CG LYS A 72 -9.138 -5.470 14.134 1.00 0.00 C ATOM 877 CD LYS A 72 -7.620 -5.759 13.882 1.00 0.00 C ATOM 878 CE LYS A 72 -7.125 -5.266 12.501 1.00 0.00 C ATOM 879 NZ LYS A 72 -7.792 -6.036 11.393 1.00 0.00 N ATOM 0 H LYS A 72 -10.637 -7.823 15.058 1.00 0.00 H new ATOM 0 HA LYS A 72 -7.935 -7.096 16.148 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -10.584 -5.587 15.791 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -9.052 -4.872 16.252 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -9.746 -6.135 13.521 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -9.374 -4.451 13.828 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -7.031 -5.279 14.664 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -7.443 -6.832 13.962 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -7.337 -4.203 12.391 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -6.044 -5.384 12.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -7.103 -6.681 10.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -8.584 -6.587 11.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -8.150 -5.373 10.676 1.00 0.00 H new ATOM 893 N LEU A 73 -9.926 -8.411 17.846 1.00 0.00 N ATOM 894 CA LEU A 73 -10.364 -8.948 19.167 1.00 0.00 C ATOM 895 C LEU A 73 -10.032 -10.469 19.208 1.00 0.00 C ATOM 896 O LEU A 73 -10.748 -11.246 19.812 1.00 0.00 O ATOM 897 CB LEU A 73 -11.862 -8.686 19.220 1.00 0.00 C ATOM 898 CG LEU A 73 -12.246 -7.207 18.933 1.00 0.00 C ATOM 899 CD1 LEU A 73 -13.766 -7.134 18.708 1.00 0.00 C ATOM 900 CD2 LEU A 73 -11.904 -6.311 20.135 1.00 0.00 C ATOM 0 H LEU A 73 -10.159 -9.032 17.071 1.00 0.00 H new ATOM 0 HA LEU A 73 -9.869 -8.487 20.022 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -12.361 -9.329 18.495 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -12.237 -8.965 20.205 1.00 0.00 H new ATOM 0 HG LEU A 73 -11.693 -6.865 18.058 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -14.055 -6.103 18.505 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -14.039 -7.761 17.859 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -14.283 -7.487 19.600 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -12.181 -5.281 19.911 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -12.454 -6.653 21.012 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -10.834 -6.363 20.335 1.00 0.00 H new ATOM 912 N ASP A 74 -8.962 -10.824 18.543 1.00 0.00 N ATOM 913 CA ASP A 74 -8.476 -12.188 18.435 1.00 0.00 C ATOM 914 C ASP A 74 -9.541 -13.320 18.446 1.00 0.00 C ATOM 915 O ASP A 74 -9.412 -14.376 19.036 1.00 0.00 O ATOM 916 CB ASP A 74 -7.374 -12.146 19.536 1.00 0.00 C ATOM 917 CG ASP A 74 -7.799 -11.637 20.916 1.00 0.00 C ATOM 918 OD1 ASP A 74 -7.758 -10.427 21.077 1.00 0.00 O ATOM 919 OD2 ASP A 74 -8.128 -12.495 21.713 1.00 0.00 O ATOM 0 H ASP A 74 -8.381 -10.152 18.042 1.00 0.00 H new ATOM 0 HA ASP A 74 -8.089 -12.483 17.460 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -6.972 -13.152 19.654 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -6.559 -11.517 19.178 1.00 0.00 H new ATOM 924 N ASN A 75 -10.578 -12.993 17.719 1.00 0.00 N ATOM 925 CA ASN A 75 -11.739 -13.877 17.423 1.00 0.00 C ATOM 926 C ASN A 75 -11.661 -14.141 15.919 1.00 0.00 C ATOM 927 O ASN A 75 -11.168 -13.336 15.159 1.00 0.00 O ATOM 928 CB ASN A 75 -13.030 -13.147 17.818 1.00 0.00 C ATOM 929 CG ASN A 75 -13.304 -13.408 19.264 1.00 0.00 C ATOM 930 OD1 ASN A 75 -13.576 -14.500 19.712 1.00 0.00 O ATOM 931 ND2 ASN A 75 -13.239 -12.379 20.013 1.00 0.00 N ATOM 0 H ASN A 75 -10.666 -12.073 17.287 1.00 0.00 H new ATOM 0 HA ASN A 75 -11.728 -14.816 17.976 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -12.929 -12.076 17.640 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -13.863 -13.494 17.207 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -13.418 -12.464 21.014 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -13.008 -11.470 19.612 1.00 0.00 H new ATOM 938 N ILE A 76 -12.155 -15.265 15.523 1.00 0.00 N ATOM 939 CA ILE A 76 -12.067 -15.696 14.122 1.00 0.00 C ATOM 940 C ILE A 76 -13.094 -15.080 13.242 1.00 0.00 C ATOM 941 O ILE A 76 -14.298 -15.234 13.347 1.00 0.00 O ATOM 942 CB ILE A 76 -12.112 -17.194 14.151 1.00 0.00 C ATOM 943 CG1 ILE A 76 -10.805 -17.377 14.992 1.00 0.00 C ATOM 944 CG2 ILE A 76 -11.968 -17.673 12.656 1.00 0.00 C ATOM 945 CD1 ILE A 76 -10.484 -18.735 15.255 1.00 0.00 C ATOM 0 H ILE A 76 -12.633 -15.924 16.137 1.00 0.00 H new ATOM 0 HA ILE A 76 -11.138 -15.350 13.669 1.00 0.00 H new ATOM 0 HB ILE A 76 -12.982 -17.720 14.543 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -9.974 -16.912 14.462 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -10.915 -16.848 15.939 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -11.995 -18.762 12.619 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -12.789 -17.270 12.064 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -11.020 -17.319 12.250 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -9.567 -18.785 15.842 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -11.297 -19.200 15.812 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -10.341 -19.264 14.313 1.00 0.00 H new ATOM 957 N ALA A 77 -12.403 -14.397 12.381 1.00 0.00 N ATOM 958 CA ALA A 77 -12.900 -13.487 11.344 1.00 0.00 C ATOM 959 C ALA A 77 -12.833 -14.062 9.901 1.00 0.00 C ATOM 960 O ALA A 77 -13.701 -13.876 9.068 1.00 0.00 O ATOM 961 CB ALA A 77 -12.014 -12.335 11.762 1.00 0.00 C ATOM 0 H ALA A 77 -11.385 -14.454 12.369 1.00 0.00 H new ATOM 0 HA ALA A 77 -13.959 -13.237 11.283 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -12.198 -11.480 11.111 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -12.236 -12.061 12.793 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -10.968 -12.633 11.683 1.00 0.00 H new ATOM 967 N GLN A 78 -11.766 -14.758 9.670 1.00 0.00 N ATOM 968 CA GLN A 78 -11.512 -15.453 8.357 1.00 0.00 C ATOM 969 C GLN A 78 -11.512 -16.931 8.811 1.00 0.00 C ATOM 970 O GLN A 78 -11.236 -17.147 9.976 1.00 0.00 O ATOM 971 CB GLN A 78 -10.116 -15.035 7.794 1.00 0.00 C ATOM 972 CG GLN A 78 -10.190 -13.916 6.683 1.00 0.00 C ATOM 973 CD GLN A 78 -10.476 -12.506 7.196 1.00 0.00 C ATOM 974 OE1 GLN A 78 -9.653 -11.616 7.146 1.00 0.00 O ATOM 975 NE2 GLN A 78 -11.632 -12.231 7.705 1.00 0.00 N ATOM 0 H GLN A 78 -11.022 -14.887 10.356 1.00 0.00 H new ATOM 0 HA GLN A 78 -12.226 -15.229 7.565 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -9.495 -14.679 8.615 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -9.623 -15.914 7.379 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -9.245 -13.903 6.140 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -10.965 -14.189 5.967 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -12.349 -12.954 7.763 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -11.827 -11.291 8.048 1.00 0.00 H new ATOM 984 N VAL A 79 -11.781 -17.939 8.013 1.00 0.00 N ATOM 985 CA VAL A 79 -11.729 -19.280 8.696 1.00 0.00 C ATOM 986 C VAL A 79 -10.250 -19.679 8.920 1.00 0.00 C ATOM 987 O VAL A 79 -9.398 -19.319 8.124 1.00 0.00 O ATOM 988 CB VAL A 79 -12.458 -20.370 7.838 1.00 0.00 C ATOM 989 CG1 VAL A 79 -12.377 -21.733 8.561 1.00 0.00 C ATOM 990 CG2 VAL A 79 -13.946 -20.079 7.903 1.00 0.00 C ATOM 0 H VAL A 79 -12.012 -17.912 7.020 1.00 0.00 H new ATOM 0 HA VAL A 79 -12.240 -19.210 9.656 1.00 0.00 H new ATOM 0 HB VAL A 79 -12.021 -20.375 6.839 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -12.884 -22.492 7.965 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -11.332 -22.013 8.693 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -12.858 -21.657 9.536 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -14.488 -20.820 7.315 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -14.280 -20.123 8.940 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -14.140 -19.085 7.501 1.00 0.00 H new ATOM 1000 N PRO A 80 -9.971 -20.396 9.990 1.00 0.00 N ATOM 1001 CA PRO A 80 -8.579 -20.846 10.299 1.00 0.00 C ATOM 1002 C PRO A 80 -8.297 -21.957 9.280 1.00 0.00 C ATOM 1003 O PRO A 80 -9.174 -22.760 9.023 1.00 0.00 O ATOM 1004 CB PRO A 80 -8.666 -21.311 11.763 1.00 0.00 C ATOM 1005 CG PRO A 80 -9.999 -20.630 12.237 1.00 0.00 C ATOM 1006 CD PRO A 80 -10.914 -20.858 11.048 1.00 0.00 C ATOM 0 HA PRO A 80 -7.772 -20.118 10.218 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -8.710 -22.397 11.845 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -7.808 -20.981 12.348 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -10.390 -21.088 13.146 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -9.862 -19.569 12.448 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -11.212 -21.900 10.931 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -11.829 -20.268 11.093 1.00 0.00 H new ATOM 1014 N ARG A 81 -7.112 -21.991 8.736 1.00 0.00 N ATOM 1015 CA ARG A 81 -6.843 -23.018 7.679 1.00 0.00 C ATOM 1016 C ARG A 81 -5.433 -23.573 7.829 1.00 0.00 C ATOM 1017 O ARG A 81 -4.579 -22.875 8.340 1.00 0.00 O ATOM 1018 CB ARG A 81 -7.139 -22.305 6.297 1.00 0.00 C ATOM 1019 CG ARG A 81 -5.908 -21.581 5.828 1.00 0.00 C ATOM 1020 CD ARG A 81 -5.100 -22.509 4.889 1.00 0.00 C ATOM 1021 NE ARG A 81 -3.663 -22.113 4.953 1.00 0.00 N ATOM 1022 CZ ARG A 81 -2.868 -21.953 3.963 1.00 0.00 C ATOM 1023 NH1 ARG A 81 -2.310 -23.002 3.540 1.00 0.00 N ATOM 1024 NH2 ARG A 81 -2.647 -20.802 3.463 1.00 0.00 N ATOM 0 H ARG A 81 -6.334 -21.372 8.966 1.00 0.00 H new ATOM 0 HA ARG A 81 -7.481 -23.898 7.758 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -7.445 -23.042 5.554 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -7.965 -21.603 6.408 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -6.187 -20.667 5.304 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -5.297 -21.286 6.681 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -5.220 -23.550 5.190 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -5.470 -22.428 3.867 1.00 0.00 H new ATOM 0 HE ARG A 81 -3.274 -21.953 5.882 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -2.506 -23.899 3.985 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -1.663 -22.954 2.753 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -3.109 -19.980 3.852 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -2.008 -20.703 2.674 1.00 0.00 H new ATOM 1038 N VAL A 82 -5.174 -24.776 7.402 1.00 0.00 N ATOM 1039 CA VAL A 82 -3.781 -25.289 7.593 1.00 0.00 C ATOM 1040 C VAL A 82 -2.791 -24.832 6.537 1.00 0.00 C ATOM 1041 O VAL A 82 -3.058 -24.879 5.350 1.00 0.00 O ATOM 1042 CB VAL A 82 -3.705 -26.799 7.552 1.00 0.00 C ATOM 1043 CG1 VAL A 82 -2.318 -27.196 8.015 1.00 0.00 C ATOM 1044 CG2 VAL A 82 -4.669 -27.410 8.506 1.00 0.00 C ATOM 0 H VAL A 82 -5.833 -25.408 6.947 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.519 -24.882 8.570 1.00 0.00 H new ATOM 0 HB VAL A 82 -3.930 -27.137 6.541 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -2.226 -28.282 7.999 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.573 -26.759 7.350 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.156 -26.833 9.030 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -4.592 -28.496 8.455 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -4.440 -27.077 9.518 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -5.682 -27.105 8.245 1.00 0.00 H new ATOM 1054 N GLY A 83 -1.647 -24.406 6.992 1.00 0.00 N ATOM 1055 CA GLY A 83 -0.584 -24.011 6.020 1.00 0.00 C ATOM 1056 C GLY A 83 -0.470 -22.512 5.806 1.00 0.00 C ATOM 1057 O GLY A 83 -1.352 -21.807 6.255 1.00 0.00 O ATOM 1058 OXT GLY A 83 0.511 -22.152 5.188 1.00 0.00 O ATOM 0 H GLY A 83 -1.401 -24.314 7.978 1.00 0.00 H new ATOM 0 HA2 GLY A 83 0.375 -24.392 6.371 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -0.786 -24.490 5.062 1.00 0.00 H new