USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 628 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 33 GLN : amide:sc= -10.2! C(o=-9.7!,f=-15!) USER MOD Set 1.2: A 49 SER OG : rot 116:sc= 0.409 USER MOD Set 2.1: A 1 MET N :NH3+ -167:sc=-0.00611 (180deg=-0.202) USER MOD Set 2.2: A 77 THR OG1 : rot 180:sc= 0.0188 USER MOD Single : A 1 MET CE :methyl -135:sc= -0.122 (180deg=-0.862) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 MET CE :methyl 154:sc= -0.807 (180deg=-2.09) USER MOD Single : A 40 THR OG1 : rot -128:sc= -3.06! USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 130:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -2.32! C(o=-2.3!,f=-8.1!) USER MOD Single : A 70 SER OG : rot 180:sc= -0.293 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 73.100 0.993 -10.577 1.00 0.00 N ATOM 2 CA MET A 1 71.770 0.322 -10.624 1.00 0.00 C ATOM 3 C MET A 1 71.947 -1.160 -10.321 1.00 0.00 C ATOM 4 O MET A 1 72.307 -1.943 -11.201 1.00 0.00 O ATOM 5 CB MET A 1 71.159 0.492 -12.017 1.00 0.00 C ATOM 6 CG MET A 1 70.839 1.966 -12.272 1.00 0.00 C ATOM 7 SD MET A 1 69.998 2.123 -13.870 1.00 0.00 S ATOM 8 CE MET A 1 71.402 1.698 -14.935 1.00 0.00 C ATOM 0 H1 MET A 1 72.968 2.025 -10.563 1.00 0.00 H new ATOM 0 H2 MET A 1 73.608 0.697 -9.719 1.00 0.00 H new ATOM 0 H3 MET A 1 73.653 0.726 -11.416 1.00 0.00 H new ATOM 0 HA MET A 1 71.107 0.770 -9.884 1.00 0.00 H new ATOM 0 HB2 MET A 1 71.852 0.126 -12.774 1.00 0.00 H new ATOM 0 HB3 MET A 1 70.251 -0.105 -12.100 1.00 0.00 H new ATOM 0 HG2 MET A 1 70.207 2.357 -11.475 1.00 0.00 H new ATOM 0 HG3 MET A 1 71.756 2.556 -12.270 1.00 0.00 H new ATOM 0 HE1 MET A 1 71.454 2.401 -15.766 1.00 0.00 H new ATOM 0 HE2 MET A 1 72.325 1.750 -14.358 1.00 0.00 H new ATOM 0 HE3 MET A 1 71.272 0.687 -15.322 1.00 0.00 H new ATOM 20 N TYR A 2 71.688 -1.546 -9.071 1.00 0.00 N ATOM 21 CA TYR A 2 71.813 -2.943 -8.649 1.00 0.00 C ATOM 22 C TYR A 2 70.439 -3.467 -8.234 1.00 0.00 C ATOM 23 O TYR A 2 69.654 -2.751 -7.611 1.00 0.00 O ATOM 24 CB TYR A 2 72.805 -3.052 -7.465 1.00 0.00 C ATOM 25 CG TYR A 2 73.575 -4.370 -7.528 1.00 0.00 C ATOM 26 CD1 TYR A 2 72.902 -5.590 -7.352 1.00 0.00 C ATOM 27 CD2 TYR A 2 74.962 -4.365 -7.773 1.00 0.00 C ATOM 28 CE1 TYR A 2 73.607 -6.798 -7.423 1.00 0.00 C ATOM 29 CE2 TYR A 2 75.661 -5.580 -7.840 1.00 0.00 C ATOM 30 CZ TYR A 2 74.983 -6.793 -7.667 1.00 0.00 C ATOM 31 OH TYR A 2 75.675 -7.987 -7.740 1.00 0.00 O ATOM 0 H TYR A 2 71.390 -0.910 -8.331 1.00 0.00 H new ATOM 0 HA TYR A 2 72.194 -3.541 -9.477 1.00 0.00 H new ATOM 0 HB2 TYR A 2 73.503 -2.215 -7.490 1.00 0.00 H new ATOM 0 HB3 TYR A 2 72.263 -2.986 -6.522 1.00 0.00 H new ATOM 0 HD1 TYR A 2 71.839 -5.597 -7.162 1.00 0.00 H new ATOM 0 HD2 TYR A 2 75.485 -3.430 -7.909 1.00 0.00 H new ATOM 0 HE1 TYR A 2 73.087 -7.735 -7.289 1.00 0.00 H new ATOM 0 HE2 TYR A 2 76.725 -5.580 -8.026 1.00 0.00 H new ATOM 0 HH TYR A 2 76.622 -7.806 -7.916 1.00 0.00 H new ATOM 41 N GLU A 3 70.160 -4.722 -8.575 1.00 0.00 N ATOM 42 CA GLU A 3 68.882 -5.349 -8.222 1.00 0.00 C ATOM 43 C GLU A 3 69.119 -6.494 -7.244 1.00 0.00 C ATOM 44 O GLU A 3 69.924 -7.384 -7.511 1.00 0.00 O ATOM 45 CB GLU A 3 68.185 -5.888 -9.481 1.00 0.00 C ATOM 46 CG GLU A 3 67.701 -4.727 -10.359 1.00 0.00 C ATOM 47 CD GLU A 3 67.015 -5.279 -11.605 1.00 0.00 C ATOM 48 OE1 GLU A 3 66.990 -6.490 -11.754 1.00 0.00 O ATOM 49 OE2 GLU A 3 66.534 -4.484 -12.394 1.00 0.00 O ATOM 0 H GLU A 3 70.797 -5.326 -9.094 1.00 0.00 H new ATOM 0 HA GLU A 3 68.244 -4.598 -7.756 1.00 0.00 H new ATOM 0 HB2 GLU A 3 68.874 -6.517 -10.045 1.00 0.00 H new ATOM 0 HB3 GLU A 3 67.340 -6.515 -9.197 1.00 0.00 H new ATOM 0 HG2 GLU A 3 67.009 -4.098 -9.799 1.00 0.00 H new ATOM 0 HG3 GLU A 3 68.544 -4.098 -10.644 1.00 0.00 H new ATOM 56 N PHE A 4 68.421 -6.468 -6.103 1.00 0.00 N ATOM 57 CA PHE A 4 68.584 -7.521 -5.094 1.00 0.00 C ATOM 58 C PHE A 4 67.456 -8.540 -5.199 1.00 0.00 C ATOM 59 O PHE A 4 66.283 -8.213 -5.023 1.00 0.00 O ATOM 60 CB PHE A 4 68.622 -6.898 -3.678 1.00 0.00 C ATOM 61 CG PHE A 4 68.423 -7.956 -2.598 1.00 0.00 C ATOM 62 CD1 PHE A 4 69.400 -8.944 -2.379 1.00 0.00 C ATOM 63 CD2 PHE A 4 67.254 -7.951 -1.801 1.00 0.00 C ATOM 64 CE1 PHE A 4 69.211 -9.912 -1.388 1.00 0.00 C ATOM 65 CE2 PHE A 4 67.075 -8.922 -0.811 1.00 0.00 C ATOM 66 CZ PHE A 4 68.052 -9.903 -0.606 1.00 0.00 C ATOM 0 H PHE A 4 67.748 -5.742 -5.857 1.00 0.00 H new ATOM 0 HA PHE A 4 69.527 -8.036 -5.275 1.00 0.00 H new ATOM 0 HB2 PHE A 4 69.577 -6.396 -3.526 1.00 0.00 H new ATOM 0 HB3 PHE A 4 67.845 -6.138 -3.592 1.00 0.00 H new ATOM 0 HD1 PHE A 4 70.299 -8.955 -2.978 1.00 0.00 H new ATOM 0 HD2 PHE A 4 66.498 -7.196 -1.958 1.00 0.00 H new ATOM 0 HE1 PHE A 4 69.963 -10.670 -1.226 1.00 0.00 H new ATOM 0 HE2 PHE A 4 66.182 -8.915 -0.204 1.00 0.00 H new ATOM 0 HZ PHE A 4 67.910 -10.654 0.157 1.00 0.00 H new ATOM 76 N LYS A 5 67.831 -9.783 -5.481 1.00 0.00 N ATOM 77 CA LYS A 5 66.866 -10.873 -5.606 1.00 0.00 C ATOM 78 C LYS A 5 67.239 -12.005 -4.661 1.00 0.00 C ATOM 79 O LYS A 5 68.417 -12.317 -4.491 1.00 0.00 O ATOM 80 CB LYS A 5 66.858 -11.406 -7.044 1.00 0.00 C ATOM 81 CG LYS A 5 68.243 -11.944 -7.411 1.00 0.00 C ATOM 82 CD LYS A 5 68.244 -12.350 -8.885 1.00 0.00 C ATOM 83 CE LYS A 5 69.608 -12.931 -9.261 1.00 0.00 C ATOM 84 NZ LYS A 5 69.593 -13.356 -10.689 1.00 0.00 N ATOM 0 H LYS A 5 68.801 -10.063 -5.628 1.00 0.00 H new ATOM 0 HA LYS A 5 65.876 -10.493 -5.352 1.00 0.00 H new ATOM 0 HB2 LYS A 5 66.114 -12.196 -7.143 1.00 0.00 H new ATOM 0 HB3 LYS A 5 66.573 -10.611 -7.733 1.00 0.00 H new ATOM 0 HG2 LYS A 5 69.003 -11.184 -7.229 1.00 0.00 H new ATOM 0 HG3 LYS A 5 68.493 -12.800 -6.784 1.00 0.00 H new ATOM 0 HD2 LYS A 5 67.462 -13.086 -9.070 1.00 0.00 H new ATOM 0 HD3 LYS A 5 68.022 -11.485 -9.510 1.00 0.00 H new ATOM 0 HE2 LYS A 5 70.388 -12.187 -9.101 1.00 0.00 H new ATOM 0 HE3 LYS A 5 69.842 -13.781 -8.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 70.521 -13.751 -10.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 68.859 -14.079 -10.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 69.389 -12.535 -11.293 1.00 0.00 H new ATOM 98 N LEU A 6 66.238 -12.619 -4.047 1.00 0.00 N ATOM 99 CA LEU A 6 66.506 -13.723 -3.127 1.00 0.00 C ATOM 100 C LEU A 6 67.184 -14.862 -3.903 1.00 0.00 C ATOM 101 O LEU A 6 66.570 -15.433 -4.805 1.00 0.00 O ATOM 102 CB LEU A 6 65.203 -14.233 -2.483 1.00 0.00 C ATOM 103 CG LEU A 6 65.507 -15.419 -1.519 1.00 0.00 C ATOM 104 CD1 LEU A 6 64.677 -15.287 -0.236 1.00 0.00 C ATOM 105 CD2 LEU A 6 65.161 -16.756 -2.193 1.00 0.00 C ATOM 0 H LEU A 6 65.253 -12.381 -4.162 1.00 0.00 H new ATOM 0 HA LEU A 6 67.160 -13.370 -2.330 1.00 0.00 H new ATOM 0 HB2 LEU A 6 64.719 -13.425 -1.935 1.00 0.00 H new ATOM 0 HB3 LEU A 6 64.507 -14.554 -3.258 1.00 0.00 H new ATOM 0 HG LEU A 6 66.569 -15.394 -1.275 1.00 0.00 H new ATOM 0 HD11 LEU A 6 64.899 -16.122 0.429 1.00 0.00 H new ATOM 0 HD12 LEU A 6 64.925 -14.350 0.263 1.00 0.00 H new ATOM 0 HD13 LEU A 6 63.616 -15.295 -0.486 1.00 0.00 H new ATOM 0 HD21 LEU A 6 65.378 -17.576 -1.508 1.00 0.00 H new ATOM 0 HD22 LEU A 6 64.102 -16.770 -2.451 1.00 0.00 H new ATOM 0 HD23 LEU A 6 65.757 -16.872 -3.098 1.00 0.00 H new ATOM 117 N PRO A 7 68.427 -15.200 -3.613 1.00 0.00 N ATOM 118 CA PRO A 7 69.137 -16.284 -4.355 1.00 0.00 C ATOM 119 C PRO A 7 68.679 -17.680 -3.938 1.00 0.00 C ATOM 120 O PRO A 7 68.200 -17.884 -2.822 1.00 0.00 O ATOM 121 CB PRO A 7 70.612 -16.041 -4.016 1.00 0.00 C ATOM 122 CG PRO A 7 70.587 -15.445 -2.648 1.00 0.00 C ATOM 123 CD PRO A 7 69.292 -14.624 -2.568 1.00 0.00 C ATOM 0 HA PRO A 7 68.935 -16.252 -5.426 1.00 0.00 H new ATOM 0 HB2 PRO A 7 71.182 -16.970 -4.034 1.00 0.00 H new ATOM 0 HB3 PRO A 7 71.079 -15.367 -4.734 1.00 0.00 H new ATOM 0 HG2 PRO A 7 70.604 -16.222 -1.884 1.00 0.00 H new ATOM 0 HG3 PRO A 7 71.460 -14.814 -2.481 1.00 0.00 H new ATOM 0 HD2 PRO A 7 68.832 -14.703 -1.583 1.00 0.00 H new ATOM 0 HD3 PRO A 7 69.481 -13.566 -2.747 1.00 0.00 H new ATOM 131 N ASP A 8 68.825 -18.632 -4.857 1.00 0.00 N ATOM 132 CA ASP A 8 68.425 -20.013 -4.605 1.00 0.00 C ATOM 133 C ASP A 8 69.585 -20.808 -4.012 1.00 0.00 C ATOM 134 O ASP A 8 70.536 -21.149 -4.717 1.00 0.00 O ATOM 135 CB ASP A 8 67.979 -20.669 -5.912 1.00 0.00 C ATOM 136 CG ASP A 8 67.353 -22.030 -5.625 1.00 0.00 C ATOM 137 OD1 ASP A 8 67.505 -22.505 -4.512 1.00 0.00 O ATOM 138 OD2 ASP A 8 66.729 -22.574 -6.520 1.00 0.00 O ATOM 0 H ASP A 8 69.218 -18.471 -5.784 1.00 0.00 H new ATOM 0 HA ASP A 8 67.599 -20.009 -3.894 1.00 0.00 H new ATOM 0 HB2 ASP A 8 67.260 -20.029 -6.423 1.00 0.00 H new ATOM 0 HB3 ASP A 8 68.833 -20.786 -6.580 1.00 0.00 H new ATOM 143 N ILE A 9 69.506 -21.104 -2.711 1.00 0.00 N ATOM 144 CA ILE A 9 70.556 -21.865 -2.032 1.00 0.00 C ATOM 145 C ILE A 9 69.958 -23.064 -1.300 1.00 0.00 C ATOM 146 O ILE A 9 68.858 -22.985 -0.754 1.00 0.00 O ATOM 147 CB ILE A 9 71.285 -20.954 -1.037 1.00 0.00 C ATOM 148 CG1 ILE A 9 70.288 -20.384 -0.022 1.00 0.00 C ATOM 149 CG2 ILE A 9 71.945 -19.803 -1.798 1.00 0.00 C ATOM 150 CD1 ILE A 9 71.035 -19.577 1.042 1.00 0.00 C ATOM 0 H ILE A 9 68.729 -20.829 -2.110 1.00 0.00 H new ATOM 0 HA ILE A 9 71.264 -22.232 -2.775 1.00 0.00 H new ATOM 0 HB ILE A 9 72.043 -21.533 -0.509 1.00 0.00 H new ATOM 0 HG12 ILE A 9 69.561 -19.749 -0.529 1.00 0.00 H new ATOM 0 HG13 ILE A 9 69.730 -21.194 0.448 1.00 0.00 H new ATOM 0 HG21 ILE A 9 72.465 -19.152 -1.095 1.00 0.00 H new ATOM 0 HG22 ILE A 9 72.659 -20.204 -2.517 1.00 0.00 H new ATOM 0 HG23 ILE A 9 71.182 -19.231 -2.326 1.00 0.00 H new ATOM 0 HD11 ILE A 9 70.321 -19.174 1.761 1.00 0.00 H new ATOM 0 HD12 ILE A 9 71.744 -20.224 1.558 1.00 0.00 H new ATOM 0 HD13 ILE A 9 71.572 -18.757 0.566 1.00 0.00 H new ATOM 162 N GLY A 10 70.688 -24.172 -1.291 1.00 0.00 N ATOM 163 CA GLY A 10 70.212 -25.375 -0.618 1.00 0.00 C ATOM 164 C GLY A 10 69.143 -26.077 -1.448 1.00 0.00 C ATOM 165 O GLY A 10 68.691 -27.168 -1.100 1.00 0.00 O ATOM 0 H GLY A 10 71.601 -24.264 -1.736 1.00 0.00 H new ATOM 0 HA2 GLY A 10 71.047 -26.054 -0.444 1.00 0.00 H new ATOM 0 HA3 GLY A 10 69.806 -25.113 0.359 1.00 0.00 H new ATOM 169 N GLU A 11 68.746 -25.446 -2.550 1.00 0.00 N ATOM 170 CA GLU A 11 67.734 -26.018 -3.432 1.00 0.00 C ATOM 171 C GLU A 11 66.477 -26.389 -2.649 1.00 0.00 C ATOM 172 O GLU A 11 66.460 -26.338 -1.419 1.00 0.00 O ATOM 173 CB GLU A 11 68.299 -27.255 -4.133 1.00 0.00 C ATOM 174 CG GLU A 11 69.394 -26.825 -5.111 1.00 0.00 C ATOM 175 CD GLU A 11 70.035 -28.054 -5.746 1.00 0.00 C ATOM 176 OE1 GLU A 11 69.612 -29.150 -5.421 1.00 0.00 O ATOM 177 OE2 GLU A 11 70.938 -27.882 -6.548 1.00 0.00 O ATOM 0 H GLU A 11 69.108 -24.542 -2.852 1.00 0.00 H new ATOM 0 HA GLU A 11 67.463 -25.271 -4.178 1.00 0.00 H new ATOM 0 HB2 GLU A 11 68.704 -27.950 -3.398 1.00 0.00 H new ATOM 0 HB3 GLU A 11 67.506 -27.780 -4.665 1.00 0.00 H new ATOM 0 HG2 GLU A 11 68.971 -26.184 -5.885 1.00 0.00 H new ATOM 0 HG3 GLU A 11 70.150 -26.239 -4.589 1.00 0.00 H new ATOM 184 N GLY A 12 65.427 -26.763 -3.375 1.00 0.00 N ATOM 185 CA GLY A 12 64.166 -27.142 -2.748 1.00 0.00 C ATOM 186 C GLY A 12 63.435 -25.911 -2.217 1.00 0.00 C ATOM 187 O GLY A 12 62.674 -26.000 -1.254 1.00 0.00 O ATOM 0 H GLY A 12 65.425 -26.811 -4.394 1.00 0.00 H new ATOM 0 HA2 GLY A 12 63.537 -27.661 -3.471 1.00 0.00 H new ATOM 0 HA3 GLY A 12 64.355 -27.839 -1.932 1.00 0.00 H new ATOM 191 N VAL A 13 63.664 -24.767 -2.859 1.00 0.00 N ATOM 192 CA VAL A 13 63.020 -23.510 -2.455 1.00 0.00 C ATOM 193 C VAL A 13 62.261 -22.924 -3.644 1.00 0.00 C ATOM 194 O VAL A 13 62.815 -22.790 -4.735 1.00 0.00 O ATOM 195 CB VAL A 13 64.092 -22.511 -1.980 1.00 0.00 C ATOM 196 CG1 VAL A 13 63.464 -21.128 -1.769 1.00 0.00 C ATOM 197 CG2 VAL A 13 64.724 -22.999 -0.663 1.00 0.00 C ATOM 0 H VAL A 13 64.289 -24.680 -3.660 1.00 0.00 H new ATOM 0 HA VAL A 13 62.323 -23.703 -1.640 1.00 0.00 H new ATOM 0 HB VAL A 13 64.867 -22.440 -2.743 1.00 0.00 H new ATOM 0 HG11 VAL A 13 64.229 -20.428 -1.433 1.00 0.00 H new ATOM 0 HG12 VAL A 13 63.037 -20.775 -2.708 1.00 0.00 H new ATOM 0 HG13 VAL A 13 62.679 -21.196 -1.016 1.00 0.00 H new ATOM 0 HG21 VAL A 13 65.480 -22.286 -0.336 1.00 0.00 H new ATOM 0 HG22 VAL A 13 63.952 -23.085 0.101 1.00 0.00 H new ATOM 0 HG23 VAL A 13 65.188 -23.973 -0.821 1.00 0.00 H new ATOM 207 N THR A 14 60.984 -22.584 -3.434 1.00 0.00 N ATOM 208 CA THR A 14 60.153 -22.021 -4.505 1.00 0.00 C ATOM 209 C THR A 14 59.341 -20.824 -4.007 1.00 0.00 C ATOM 210 O THR A 14 58.691 -20.137 -4.796 1.00 0.00 O ATOM 211 CB THR A 14 59.207 -23.098 -5.038 1.00 0.00 C ATOM 212 OG1 THR A 14 58.395 -23.582 -3.977 1.00 0.00 O ATOM 213 CG2 THR A 14 60.021 -24.251 -5.627 1.00 0.00 C ATOM 0 H THR A 14 60.506 -22.688 -2.539 1.00 0.00 H new ATOM 0 HA THR A 14 60.811 -21.676 -5.303 1.00 0.00 H new ATOM 0 HB THR A 14 58.573 -22.671 -5.815 1.00 0.00 H new ATOM 0 HG1 THR A 14 57.787 -24.271 -4.318 1.00 0.00 H new ATOM 0 HG21 THR A 14 59.345 -25.017 -6.006 1.00 0.00 H new ATOM 0 HG22 THR A 14 60.642 -23.879 -6.442 1.00 0.00 H new ATOM 0 HG23 THR A 14 60.658 -24.680 -4.853 1.00 0.00 H new ATOM 221 N GLU A 15 59.383 -20.572 -2.698 1.00 0.00 N ATOM 222 CA GLU A 15 58.645 -19.443 -2.111 1.00 0.00 C ATOM 223 C GLU A 15 59.457 -18.791 -1.001 1.00 0.00 C ATOM 224 O GLU A 15 60.232 -19.456 -0.314 1.00 0.00 O ATOM 225 CB GLU A 15 57.300 -19.907 -1.545 1.00 0.00 C ATOM 226 CG GLU A 15 56.390 -20.383 -2.678 1.00 0.00 C ATOM 227 CD GLU A 15 55.075 -20.901 -2.108 1.00 0.00 C ATOM 228 OE1 GLU A 15 54.930 -20.884 -0.896 1.00 0.00 O ATOM 229 OE2 GLU A 15 54.236 -21.320 -2.887 1.00 0.00 O ATOM 0 H GLU A 15 59.914 -21.126 -2.026 1.00 0.00 H new ATOM 0 HA GLU A 15 58.467 -18.716 -2.903 1.00 0.00 H new ATOM 0 HB2 GLU A 15 57.457 -20.715 -0.830 1.00 0.00 H new ATOM 0 HB3 GLU A 15 56.823 -19.090 -1.004 1.00 0.00 H new ATOM 0 HG2 GLU A 15 56.198 -19.563 -3.370 1.00 0.00 H new ATOM 0 HG3 GLU A 15 56.885 -21.171 -3.246 1.00 0.00 H new ATOM 236 N GLY A 16 59.274 -17.477 -0.832 1.00 0.00 N ATOM 237 CA GLY A 16 59.994 -16.728 0.199 1.00 0.00 C ATOM 238 C GLY A 16 59.018 -15.928 1.061 1.00 0.00 C ATOM 239 O GLY A 16 58.104 -15.292 0.536 1.00 0.00 O ATOM 0 H GLY A 16 58.636 -16.914 -1.394 1.00 0.00 H new ATOM 0 HA2 GLY A 16 60.562 -17.415 0.826 1.00 0.00 H new ATOM 0 HA3 GLY A 16 60.712 -16.054 -0.268 1.00 0.00 H new ATOM 243 N GLU A 17 59.212 -15.958 2.386 1.00 0.00 N ATOM 244 CA GLU A 17 58.340 -15.227 3.308 1.00 0.00 C ATOM 245 C GLU A 17 59.175 -14.276 4.160 1.00 0.00 C ATOM 246 O GLU A 17 60.263 -14.634 4.611 1.00 0.00 O ATOM 247 CB GLU A 17 57.608 -16.213 4.220 1.00 0.00 C ATOM 248 CG GLU A 17 56.622 -15.457 5.114 1.00 0.00 C ATOM 249 CD GLU A 17 55.825 -16.452 5.952 1.00 0.00 C ATOM 250 OE1 GLU A 17 55.859 -17.628 5.629 1.00 0.00 O ATOM 251 OE2 GLU A 17 55.189 -16.022 6.899 1.00 0.00 O ATOM 0 H GLU A 17 59.962 -16.479 2.840 1.00 0.00 H new ATOM 0 HA GLU A 17 57.612 -14.656 2.732 1.00 0.00 H new ATOM 0 HB2 GLU A 17 57.077 -16.952 3.620 1.00 0.00 H new ATOM 0 HB3 GLU A 17 58.326 -16.757 4.834 1.00 0.00 H new ATOM 0 HG2 GLU A 17 57.160 -14.767 5.764 1.00 0.00 H new ATOM 0 HG3 GLU A 17 55.947 -14.858 4.503 1.00 0.00 H new ATOM 258 N ILE A 18 58.676 -13.059 4.362 1.00 0.00 N ATOM 259 CA ILE A 18 59.403 -12.056 5.148 1.00 0.00 C ATOM 260 C ILE A 18 58.825 -11.916 6.553 1.00 0.00 C ATOM 261 O ILE A 18 57.649 -11.596 6.719 1.00 0.00 O ATOM 262 CB ILE A 18 59.322 -10.705 4.435 1.00 0.00 C ATOM 263 CG1 ILE A 18 59.894 -10.821 3.005 1.00 0.00 C ATOM 264 CG2 ILE A 18 60.095 -9.649 5.224 1.00 0.00 C ATOM 265 CD1 ILE A 18 61.438 -10.778 3.011 1.00 0.00 C ATOM 0 H ILE A 18 57.778 -12.742 3.997 1.00 0.00 H new ATOM 0 HA ILE A 18 60.439 -12.381 5.238 1.00 0.00 H new ATOM 0 HB ILE A 18 58.276 -10.404 4.371 1.00 0.00 H new ATOM 0 HG12 ILE A 18 59.556 -11.752 2.551 1.00 0.00 H new ATOM 0 HG13 ILE A 18 59.508 -10.008 2.390 1.00 0.00 H new ATOM 0 HG21 ILE A 18 60.031 -8.691 4.708 1.00 0.00 H new ATOM 0 HG22 ILE A 18 59.666 -9.554 6.221 1.00 0.00 H new ATOM 0 HG23 ILE A 18 61.140 -9.948 5.306 1.00 0.00 H new ATOM 0 HD11 ILE A 18 61.808 -10.862 1.989 1.00 0.00 H new ATOM 0 HD12 ILE A 18 61.774 -9.835 3.442 1.00 0.00 H new ATOM 0 HD13 ILE A 18 61.823 -11.607 3.606 1.00 0.00 H new ATOM 277 N VAL A 19 59.664 -12.155 7.569 1.00 0.00 N ATOM 278 CA VAL A 19 59.228 -12.045 8.965 1.00 0.00 C ATOM 279 C VAL A 19 59.692 -10.728 9.604 1.00 0.00 C ATOM 280 O VAL A 19 58.982 -10.183 10.451 1.00 0.00 O ATOM 281 CB VAL A 19 59.745 -13.262 9.769 1.00 0.00 C ATOM 282 CG1 VAL A 19 59.784 -12.958 11.274 1.00 0.00 C ATOM 283 CG2 VAL A 19 58.817 -14.459 9.527 1.00 0.00 C ATOM 0 H VAL A 19 60.641 -12.424 7.451 1.00 0.00 H new ATOM 0 HA VAL A 19 58.138 -12.041 8.984 1.00 0.00 H new ATOM 0 HB VAL A 19 60.757 -13.488 9.434 1.00 0.00 H new ATOM 0 HG11 VAL A 19 60.151 -13.832 11.812 1.00 0.00 H new ATOM 0 HG12 VAL A 19 60.448 -12.113 11.457 1.00 0.00 H new ATOM 0 HG13 VAL A 19 58.780 -12.713 11.622 1.00 0.00 H new ATOM 0 HG21 VAL A 19 59.178 -15.319 10.092 1.00 0.00 H new ATOM 0 HG22 VAL A 19 57.807 -14.208 9.853 1.00 0.00 H new ATOM 0 HG23 VAL A 19 58.806 -14.702 8.464 1.00 0.00 H new ATOM 293 N ARG A 20 60.880 -10.213 9.244 1.00 0.00 N ATOM 294 CA ARG A 20 61.347 -8.969 9.864 1.00 0.00 C ATOM 295 C ARG A 20 62.307 -8.185 8.972 1.00 0.00 C ATOM 296 O ARG A 20 63.272 -8.731 8.436 1.00 0.00 O ATOM 297 CB ARG A 20 62.034 -9.297 11.196 1.00 0.00 C ATOM 298 CG ARG A 20 62.438 -8.005 11.916 1.00 0.00 C ATOM 299 CD ARG A 20 63.056 -8.364 13.268 1.00 0.00 C ATOM 300 NE ARG A 20 63.304 -7.161 14.055 1.00 0.00 N ATOM 301 CZ ARG A 20 64.123 -7.187 15.101 1.00 0.00 C ATOM 302 NH1 ARG A 20 64.736 -8.296 15.415 1.00 0.00 N ATOM 303 NH2 ARG A 20 64.312 -6.109 15.811 1.00 0.00 N ATOM 0 H ARG A 20 61.511 -10.622 8.554 1.00 0.00 H new ATOM 0 HA ARG A 20 60.474 -8.337 10.024 1.00 0.00 H new ATOM 0 HB2 ARG A 20 61.362 -9.878 11.827 1.00 0.00 H new ATOM 0 HB3 ARG A 20 62.915 -9.913 11.017 1.00 0.00 H new ATOM 0 HG2 ARG A 20 63.152 -7.444 11.312 1.00 0.00 H new ATOM 0 HG3 ARG A 20 61.568 -7.364 12.058 1.00 0.00 H new ATOM 0 HD2 ARG A 20 62.388 -9.031 13.814 1.00 0.00 H new ATOM 0 HD3 ARG A 20 63.990 -8.904 13.115 1.00 0.00 H new ATOM 0 HE ARG A 20 62.843 -6.288 13.799 1.00 0.00 H new ATOM 0 HH11 ARG A 20 64.585 -9.137 14.858 1.00 0.00 H new ATOM 0 HH12 ARG A 20 65.366 -8.321 16.217 1.00 0.00 H new ATOM 0 HH21 ARG A 20 63.831 -5.244 15.563 1.00 0.00 H new ATOM 0 HH22 ARG A 20 64.941 -6.131 16.614 1.00 0.00 H new ATOM 317 N TRP A 21 62.054 -6.875 8.866 1.00 0.00 N ATOM 318 CA TRP A 21 62.918 -5.970 8.096 1.00 0.00 C ATOM 319 C TRP A 21 63.729 -5.149 9.098 1.00 0.00 C ATOM 320 O TRP A 21 63.168 -4.596 10.044 1.00 0.00 O ATOM 321 CB TRP A 21 62.086 -4.997 7.229 1.00 0.00 C ATOM 322 CG TRP A 21 61.561 -5.635 5.975 1.00 0.00 C ATOM 323 CD1 TRP A 21 60.249 -5.855 5.722 1.00 0.00 C ATOM 324 CD2 TRP A 21 62.283 -6.081 4.780 1.00 0.00 C ATOM 325 NE1 TRP A 21 60.119 -6.406 4.459 1.00 0.00 N ATOM 326 CE2 TRP A 21 61.342 -6.568 3.841 1.00 0.00 C ATOM 327 CE3 TRP A 21 63.647 -6.116 4.421 1.00 0.00 C ATOM 328 CZ2 TRP A 21 61.738 -7.063 2.592 1.00 0.00 C ATOM 329 CZ3 TRP A 21 64.045 -6.615 3.166 1.00 0.00 C ATOM 330 CH2 TRP A 21 63.093 -7.085 2.254 1.00 0.00 C ATOM 0 H TRP A 21 61.256 -6.416 9.305 1.00 0.00 H new ATOM 0 HA TRP A 21 63.554 -6.558 7.435 1.00 0.00 H new ATOM 0 HB2 TRP A 21 61.249 -4.620 7.817 1.00 0.00 H new ATOM 0 HB3 TRP A 21 62.702 -4.138 6.963 1.00 0.00 H new ATOM 0 HD1 TRP A 21 59.435 -5.636 6.397 1.00 0.00 H new ATOM 0 HE1 TRP A 21 59.227 -6.662 4.036 1.00 0.00 H new ATOM 0 HE3 TRP A 21 64.392 -5.757 5.115 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 60.999 -7.426 1.893 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 65.093 -6.635 2.905 1.00 0.00 H new ATOM 0 HH2 TRP A 21 63.405 -7.464 1.292 1.00 0.00 H new ATOM 341 N ASP A 22 65.042 -5.081 8.908 1.00 0.00 N ATOM 342 CA ASP A 22 65.908 -4.328 9.823 1.00 0.00 C ATOM 343 C ASP A 22 66.236 -2.948 9.258 1.00 0.00 C ATOM 344 O ASP A 22 67.009 -2.193 9.850 1.00 0.00 O ATOM 345 CB ASP A 22 67.200 -5.102 10.068 1.00 0.00 C ATOM 346 CG ASP A 22 67.836 -5.487 8.736 1.00 0.00 C ATOM 347 OD1 ASP A 22 67.106 -5.616 7.768 1.00 0.00 O ATOM 348 OD2 ASP A 22 69.044 -5.665 8.706 1.00 0.00 O ATOM 0 H ASP A 22 65.532 -5.533 8.136 1.00 0.00 H new ATOM 0 HA ASP A 22 65.375 -4.196 10.765 1.00 0.00 H new ATOM 0 HB2 ASP A 22 67.893 -4.494 10.650 1.00 0.00 H new ATOM 0 HB3 ASP A 22 66.992 -5.997 10.654 1.00 0.00 H new ATOM 353 N VAL A 23 65.644 -2.633 8.110 1.00 0.00 N ATOM 354 CA VAL A 23 65.865 -1.346 7.450 1.00 0.00 C ATOM 355 C VAL A 23 64.524 -0.750 7.014 1.00 0.00 C ATOM 356 O VAL A 23 63.543 -1.476 6.856 1.00 0.00 O ATOM 357 CB VAL A 23 66.788 -1.552 6.241 1.00 0.00 C ATOM 358 CG1 VAL A 23 67.945 -2.472 6.652 1.00 0.00 C ATOM 359 CG2 VAL A 23 66.011 -2.201 5.077 1.00 0.00 C ATOM 0 H VAL A 23 65.004 -3.253 7.614 1.00 0.00 H new ATOM 0 HA VAL A 23 66.339 -0.650 8.142 1.00 0.00 H new ATOM 0 HB VAL A 23 67.171 -0.586 5.913 1.00 0.00 H new ATOM 0 HG11 VAL A 23 68.608 -2.626 5.800 1.00 0.00 H new ATOM 0 HG12 VAL A 23 68.503 -2.013 7.468 1.00 0.00 H new ATOM 0 HG13 VAL A 23 67.547 -3.432 6.980 1.00 0.00 H new ATOM 0 HG21 VAL A 23 66.679 -2.341 4.227 1.00 0.00 H new ATOM 0 HG22 VAL A 23 65.621 -3.168 5.395 1.00 0.00 H new ATOM 0 HG23 VAL A 23 65.184 -1.554 4.786 1.00 0.00 H new ATOM 369 N LYS A 24 64.480 0.574 6.825 1.00 0.00 N ATOM 370 CA LYS A 24 63.235 1.238 6.418 1.00 0.00 C ATOM 371 C LYS A 24 63.470 2.197 5.258 1.00 0.00 C ATOM 372 O LYS A 24 64.514 2.843 5.163 1.00 0.00 O ATOM 373 CB LYS A 24 62.651 1.998 7.615 1.00 0.00 C ATOM 374 CG LYS A 24 63.583 3.150 8.010 1.00 0.00 C ATOM 375 CD LYS A 24 63.051 3.822 9.277 1.00 0.00 C ATOM 376 CE LYS A 24 63.985 4.965 9.679 1.00 0.00 C ATOM 377 NZ LYS A 24 63.471 5.617 10.917 1.00 0.00 N ATOM 0 H LYS A 24 65.277 1.199 6.945 1.00 0.00 H new ATOM 0 HA LYS A 24 62.532 0.476 6.083 1.00 0.00 H new ATOM 0 HB2 LYS A 24 61.665 2.387 7.363 1.00 0.00 H new ATOM 0 HB3 LYS A 24 62.520 1.320 8.458 1.00 0.00 H new ATOM 0 HG2 LYS A 24 64.592 2.774 8.181 1.00 0.00 H new ATOM 0 HG3 LYS A 24 63.646 3.876 7.199 1.00 0.00 H new ATOM 0 HD2 LYS A 24 62.045 4.204 9.104 1.00 0.00 H new ATOM 0 HD3 LYS A 24 62.981 3.094 10.085 1.00 0.00 H new ATOM 0 HE2 LYS A 24 64.992 4.583 9.848 1.00 0.00 H new ATOM 0 HE3 LYS A 24 64.052 5.695 8.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 64.106 6.394 11.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 62.518 5.995 10.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 63.429 4.918 11.686 1.00 0.00 H new ATOM 391 N GLU A 25 62.473 2.295 4.384 1.00 0.00 N ATOM 392 CA GLU A 25 62.553 3.188 3.232 1.00 0.00 C ATOM 393 C GLU A 25 62.775 4.629 3.675 1.00 0.00 C ATOM 394 O GLU A 25 62.195 5.086 4.661 1.00 0.00 O ATOM 395 CB GLU A 25 61.268 3.082 2.400 1.00 0.00 C ATOM 396 CG GLU A 25 60.064 3.500 3.248 1.00 0.00 C ATOM 397 CD GLU A 25 58.784 3.384 2.427 1.00 0.00 C ATOM 398 OE1 GLU A 25 58.886 3.130 1.237 1.00 0.00 O ATOM 399 OE2 GLU A 25 57.719 3.535 3.003 1.00 0.00 O ATOM 0 H GLU A 25 61.602 1.769 4.451 1.00 0.00 H new ATOM 0 HA GLU A 25 63.403 2.886 2.620 1.00 0.00 H new ATOM 0 HB2 GLU A 25 61.342 3.718 1.518 1.00 0.00 H new ATOM 0 HB3 GLU A 25 61.137 2.060 2.045 1.00 0.00 H new ATOM 0 HG2 GLU A 25 59.996 2.869 4.134 1.00 0.00 H new ATOM 0 HG3 GLU A 25 60.192 4.525 3.596 1.00 0.00 H new ATOM 406 N GLY A 26 63.618 5.348 2.931 1.00 0.00 N ATOM 407 CA GLY A 26 63.911 6.746 3.246 1.00 0.00 C ATOM 408 C GLY A 26 65.131 6.873 4.160 1.00 0.00 C ATOM 409 O GLY A 26 65.442 7.967 4.633 1.00 0.00 O ATOM 0 H GLY A 26 64.107 4.987 2.111 1.00 0.00 H new ATOM 0 HA2 GLY A 26 64.088 7.298 2.323 1.00 0.00 H new ATOM 0 HA3 GLY A 26 63.045 7.200 3.728 1.00 0.00 H new ATOM 413 N ASP A 27 65.820 5.755 4.415 1.00 0.00 N ATOM 414 CA ASP A 27 67.003 5.767 5.288 1.00 0.00 C ATOM 415 C ASP A 27 68.239 5.257 4.551 1.00 0.00 C ATOM 416 O ASP A 27 68.230 4.165 3.987 1.00 0.00 O ATOM 417 CB ASP A 27 66.749 4.880 6.508 1.00 0.00 C ATOM 418 CG ASP A 27 67.937 4.961 7.463 1.00 0.00 C ATOM 419 OD1 ASP A 27 68.928 5.564 7.090 1.00 0.00 O ATOM 420 OD2 ASP A 27 67.839 4.418 8.550 1.00 0.00 O ATOM 0 H ASP A 27 65.584 4.839 4.035 1.00 0.00 H new ATOM 0 HA ASP A 27 67.183 6.796 5.599 1.00 0.00 H new ATOM 0 HB2 ASP A 27 65.839 5.198 7.017 1.00 0.00 H new ATOM 0 HB3 ASP A 27 66.594 3.848 6.193 1.00 0.00 H new ATOM 425 N MET A 28 69.307 6.054 4.571 1.00 0.00 N ATOM 426 CA MET A 28 70.552 5.664 3.911 1.00 0.00 C ATOM 427 C MET A 28 71.214 4.534 4.702 1.00 0.00 C ATOM 428 O MET A 28 71.173 4.527 5.933 1.00 0.00 O ATOM 429 CB MET A 28 71.503 6.866 3.810 1.00 0.00 C ATOM 430 CG MET A 28 71.379 7.726 5.070 1.00 0.00 C ATOM 431 SD MET A 28 72.741 8.919 5.111 1.00 0.00 S ATOM 432 CE MET A 28 72.226 9.802 6.604 1.00 0.00 C ATOM 0 H MET A 28 69.336 6.964 5.032 1.00 0.00 H new ATOM 0 HA MET A 28 70.328 5.317 2.902 1.00 0.00 H new ATOM 0 HB2 MET A 28 72.530 6.521 3.693 1.00 0.00 H new ATOM 0 HB3 MET A 28 71.263 7.459 2.928 1.00 0.00 H new ATOM 0 HG2 MET A 28 70.422 8.248 5.076 1.00 0.00 H new ATOM 0 HG3 MET A 28 71.404 7.096 5.959 1.00 0.00 H new ATOM 0 HE1 MET A 28 72.939 10.598 6.820 1.00 0.00 H new ATOM 0 HE2 MET A 28 71.237 10.233 6.449 1.00 0.00 H new ATOM 0 HE3 MET A 28 72.192 9.108 7.444 1.00 0.00 H new ATOM 442 N VAL A 29 71.800 3.561 3.997 1.00 0.00 N ATOM 443 CA VAL A 29 72.439 2.421 4.663 1.00 0.00 C ATOM 444 C VAL A 29 73.714 2.004 3.937 1.00 0.00 C ATOM 445 O VAL A 29 73.911 2.336 2.770 1.00 0.00 O ATOM 446 CB VAL A 29 71.459 1.246 4.700 1.00 0.00 C ATOM 447 CG1 VAL A 29 71.984 0.160 5.644 1.00 0.00 C ATOM 448 CG2 VAL A 29 70.107 1.748 5.202 1.00 0.00 C ATOM 0 H VAL A 29 71.845 3.539 2.978 1.00 0.00 H new ATOM 0 HA VAL A 29 72.708 2.716 5.677 1.00 0.00 H new ATOM 0 HB VAL A 29 71.353 0.825 3.700 1.00 0.00 H new ATOM 0 HG11 VAL A 29 71.282 -0.674 5.666 1.00 0.00 H new ATOM 0 HG12 VAL A 29 72.954 -0.191 5.291 1.00 0.00 H new ATOM 0 HG13 VAL A 29 72.091 0.571 6.648 1.00 0.00 H new ATOM 0 HG21 VAL A 29 69.400 0.919 5.233 1.00 0.00 H new ATOM 0 HG22 VAL A 29 70.222 2.164 6.203 1.00 0.00 H new ATOM 0 HG23 VAL A 29 69.733 2.520 4.529 1.00 0.00 H new ATOM 458 N GLU A 30 74.567 1.257 4.637 1.00 0.00 N ATOM 459 CA GLU A 30 75.824 0.768 4.068 1.00 0.00 C ATOM 460 C GLU A 30 75.935 -0.743 4.264 1.00 0.00 C ATOM 461 O GLU A 30 75.366 -1.291 5.208 1.00 0.00 O ATOM 462 CB GLU A 30 77.010 1.455 4.747 1.00 0.00 C ATOM 463 CG GLU A 30 76.840 1.406 6.270 1.00 0.00 C ATOM 464 CD GLU A 30 75.808 2.442 6.713 1.00 0.00 C ATOM 465 OE1 GLU A 30 75.764 3.498 6.105 1.00 0.00 O ATOM 466 OE2 GLU A 30 75.089 2.167 7.659 1.00 0.00 O ATOM 0 H GLU A 30 74.410 0.976 5.605 1.00 0.00 H new ATOM 0 HA GLU A 30 75.836 0.996 3.002 1.00 0.00 H new ATOM 0 HB2 GLU A 30 77.939 0.963 4.460 1.00 0.00 H new ATOM 0 HB3 GLU A 30 77.081 2.490 4.413 1.00 0.00 H new ATOM 0 HG2 GLU A 30 76.522 0.410 6.577 1.00 0.00 H new ATOM 0 HG3 GLU A 30 77.795 1.600 6.757 1.00 0.00 H new ATOM 473 N LYS A 31 76.665 -1.402 3.356 1.00 0.00 N ATOM 474 CA LYS A 31 76.863 -2.862 3.401 1.00 0.00 C ATOM 475 C LYS A 31 76.749 -3.408 4.832 1.00 0.00 C ATOM 476 O LYS A 31 77.131 -2.737 5.791 1.00 0.00 O ATOM 477 CB LYS A 31 78.238 -3.217 2.793 1.00 0.00 C ATOM 478 CG LYS A 31 79.380 -3.015 3.805 1.00 0.00 C ATOM 479 CD LYS A 31 80.713 -3.249 3.091 1.00 0.00 C ATOM 480 CE LYS A 31 81.866 -3.027 4.071 1.00 0.00 C ATOM 481 NZ LYS A 31 83.164 -3.270 3.379 1.00 0.00 N ATOM 0 H LYS A 31 77.133 -0.945 2.573 1.00 0.00 H new ATOM 0 HA LYS A 31 76.074 -3.331 2.813 1.00 0.00 H new ATOM 0 HB2 LYS A 31 78.230 -4.254 2.456 1.00 0.00 H new ATOM 0 HB3 LYS A 31 78.418 -2.598 1.914 1.00 0.00 H new ATOM 0 HG2 LYS A 31 79.345 -2.007 4.219 1.00 0.00 H new ATOM 0 HG3 LYS A 31 79.272 -3.707 4.640 1.00 0.00 H new ATOM 0 HD2 LYS A 31 80.751 -4.263 2.693 1.00 0.00 H new ATOM 0 HD3 LYS A 31 80.807 -2.570 2.243 1.00 0.00 H new ATOM 0 HE2 LYS A 31 81.835 -2.009 4.460 1.00 0.00 H new ATOM 0 HE3 LYS A 31 81.766 -3.698 4.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 83.947 -3.119 4.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 83.192 -4.249 3.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 83.259 -2.612 2.579 1.00 0.00 H new ATOM 495 N ASP A 32 76.205 -4.622 4.955 1.00 0.00 N ATOM 496 CA ASP A 32 76.020 -5.268 6.252 1.00 0.00 C ATOM 497 C ASP A 32 75.084 -4.456 7.146 1.00 0.00 C ATOM 498 O ASP A 32 75.465 -4.043 8.239 1.00 0.00 O ATOM 499 CB ASP A 32 77.367 -5.482 6.951 1.00 0.00 C ATOM 500 CG ASP A 32 78.178 -6.533 6.201 1.00 0.00 C ATOM 501 OD1 ASP A 32 77.608 -7.202 5.354 1.00 0.00 O ATOM 502 OD2 ASP A 32 79.358 -6.655 6.485 1.00 0.00 O ATOM 0 H ASP A 32 75.883 -5.179 4.163 1.00 0.00 H new ATOM 0 HA ASP A 32 75.562 -6.241 6.073 1.00 0.00 H new ATOM 0 HB2 ASP A 32 77.920 -4.543 6.991 1.00 0.00 H new ATOM 0 HB3 ASP A 32 77.206 -5.801 7.981 1.00 0.00 H new ATOM 507 N GLN A 33 73.860 -4.230 6.661 1.00 0.00 N ATOM 508 CA GLN A 33 72.857 -3.464 7.407 1.00 0.00 C ATOM 509 C GLN A 33 72.824 -3.871 8.883 1.00 0.00 C ATOM 510 O GLN A 33 73.724 -3.535 9.651 1.00 0.00 O ATOM 511 CB GLN A 33 71.465 -3.677 6.787 1.00 0.00 C ATOM 512 CG GLN A 33 71.249 -5.165 6.457 1.00 0.00 C ATOM 513 CD GLN A 33 71.902 -5.516 5.127 1.00 0.00 C ATOM 514 OE1 GLN A 33 71.479 -5.028 4.083 1.00 0.00 O ATOM 515 NE2 GLN A 33 72.920 -6.333 5.108 1.00 0.00 N ATOM 0 H GLN A 33 73.539 -4.567 5.753 1.00 0.00 H new ATOM 0 HA GLN A 33 73.132 -2.411 7.348 1.00 0.00 H new ATOM 0 HB2 GLN A 33 70.695 -3.336 7.479 1.00 0.00 H new ATOM 0 HB3 GLN A 33 71.367 -3.079 5.881 1.00 0.00 H new ATOM 0 HG2 GLN A 33 71.669 -5.784 7.250 1.00 0.00 H new ATOM 0 HG3 GLN A 33 70.182 -5.383 6.414 1.00 0.00 H new ATOM 0 HE21 GLN A 33 73.267 -6.735 5.979 1.00 0.00 H new ATOM 0 HE22 GLN A 33 73.368 -6.569 4.223 1.00 0.00 H new ATOM 524 N ASP A 34 71.774 -4.592 9.276 1.00 0.00 N ATOM 525 CA ASP A 34 71.636 -5.036 10.659 1.00 0.00 C ATOM 526 C ASP A 34 70.798 -6.310 10.735 1.00 0.00 C ATOM 527 O ASP A 34 69.745 -6.340 11.372 1.00 0.00 O ATOM 528 CB ASP A 34 70.993 -3.928 11.498 1.00 0.00 C ATOM 529 CG ASP A 34 70.879 -4.367 12.953 1.00 0.00 C ATOM 530 OD1 ASP A 34 71.156 -5.523 13.229 1.00 0.00 O ATOM 531 OD2 ASP A 34 70.516 -3.539 13.774 1.00 0.00 O ATOM 0 H ASP A 34 71.013 -4.878 8.660 1.00 0.00 H new ATOM 0 HA ASP A 34 72.627 -5.255 11.056 1.00 0.00 H new ATOM 0 HB2 ASP A 34 71.590 -3.018 11.431 1.00 0.00 H new ATOM 0 HB3 ASP A 34 70.005 -3.691 11.104 1.00 0.00 H new ATOM 536 N LEU A 35 71.295 -7.363 10.088 1.00 0.00 N ATOM 537 CA LEU A 35 70.609 -8.665 10.087 1.00 0.00 C ATOM 538 C LEU A 35 69.168 -8.554 9.579 1.00 0.00 C ATOM 539 O LEU A 35 68.363 -7.795 10.116 1.00 0.00 O ATOM 540 CB LEU A 35 70.590 -9.242 11.515 1.00 0.00 C ATOM 541 CG LEU A 35 71.995 -9.741 11.927 1.00 0.00 C ATOM 542 CD1 LEU A 35 72.110 -9.727 13.455 1.00 0.00 C ATOM 543 CD2 LEU A 35 72.206 -11.185 11.448 1.00 0.00 C ATOM 0 H LEU A 35 72.166 -7.346 9.558 1.00 0.00 H new ATOM 0 HA LEU A 35 71.159 -9.323 9.414 1.00 0.00 H new ATOM 0 HB2 LEU A 35 70.251 -8.479 12.215 1.00 0.00 H new ATOM 0 HB3 LEU A 35 69.877 -10.065 11.570 1.00 0.00 H new ATOM 0 HG LEU A 35 72.742 -9.088 11.477 1.00 0.00 H new ATOM 0 HD11 LEU A 35 73.099 -10.078 13.749 1.00 0.00 H new ATOM 0 HD12 LEU A 35 71.962 -8.711 13.822 1.00 0.00 H new ATOM 0 HD13 LEU A 35 71.351 -10.382 13.883 1.00 0.00 H new ATOM 0 HD21 LEU A 35 73.198 -11.525 11.744 1.00 0.00 H new ATOM 0 HD22 LEU A 35 71.452 -11.831 11.897 1.00 0.00 H new ATOM 0 HD23 LEU A 35 72.118 -11.225 10.362 1.00 0.00 H new ATOM 555 N VAL A 36 68.853 -9.348 8.554 1.00 0.00 N ATOM 556 CA VAL A 36 67.506 -9.392 7.968 1.00 0.00 C ATOM 557 C VAL A 36 67.008 -10.839 8.106 1.00 0.00 C ATOM 558 O VAL A 36 67.744 -11.775 7.800 1.00 0.00 O ATOM 559 CB VAL A 36 67.557 -8.937 6.473 1.00 0.00 C ATOM 560 CG1 VAL A 36 68.804 -8.073 6.258 1.00 0.00 C ATOM 561 CG2 VAL A 36 67.614 -10.138 5.517 1.00 0.00 C ATOM 0 H VAL A 36 69.519 -9.977 8.106 1.00 0.00 H new ATOM 0 HA VAL A 36 66.823 -8.714 8.479 1.00 0.00 H new ATOM 0 HB VAL A 36 66.650 -8.373 6.258 1.00 0.00 H new ATOM 0 HG11 VAL A 36 68.848 -7.751 5.218 1.00 0.00 H new ATOM 0 HG12 VAL A 36 68.757 -7.199 6.907 1.00 0.00 H new ATOM 0 HG13 VAL A 36 69.695 -8.654 6.496 1.00 0.00 H new ATOM 0 HG21 VAL A 36 67.648 -9.782 4.487 1.00 0.00 H new ATOM 0 HG22 VAL A 36 68.506 -10.728 5.727 1.00 0.00 H new ATOM 0 HG23 VAL A 36 66.728 -10.757 5.657 1.00 0.00 H new ATOM 571 N GLU A 37 65.787 -11.030 8.596 1.00 0.00 N ATOM 572 CA GLU A 37 65.265 -12.390 8.785 1.00 0.00 C ATOM 573 C GLU A 37 64.475 -12.856 7.565 1.00 0.00 C ATOM 574 O GLU A 37 63.483 -12.237 7.179 1.00 0.00 O ATOM 575 CB GLU A 37 64.370 -12.431 10.025 1.00 0.00 C ATOM 576 CG GLU A 37 63.936 -13.874 10.299 1.00 0.00 C ATOM 577 CD GLU A 37 63.075 -13.933 11.556 1.00 0.00 C ATOM 578 OE1 GLU A 37 63.102 -12.980 12.318 1.00 0.00 O ATOM 579 OE2 GLU A 37 62.393 -14.929 11.735 1.00 0.00 O ATOM 0 H GLU A 37 65.148 -10.282 8.866 1.00 0.00 H new ATOM 0 HA GLU A 37 66.112 -13.063 8.918 1.00 0.00 H new ATOM 0 HB2 GLU A 37 64.906 -12.032 10.886 1.00 0.00 H new ATOM 0 HB3 GLU A 37 63.494 -11.800 9.875 1.00 0.00 H new ATOM 0 HG2 GLU A 37 63.377 -14.262 9.447 1.00 0.00 H new ATOM 0 HG3 GLU A 37 64.814 -14.509 10.420 1.00 0.00 H new ATOM 586 N VAL A 38 64.927 -13.959 6.958 1.00 0.00 N ATOM 587 CA VAL A 38 64.266 -14.522 5.782 1.00 0.00 C ATOM 588 C VAL A 38 64.007 -16.016 5.993 1.00 0.00 C ATOM 589 O VAL A 38 64.879 -16.749 6.465 1.00 0.00 O ATOM 590 CB VAL A 38 65.134 -14.315 4.535 1.00 0.00 C ATOM 591 CG1 VAL A 38 64.995 -12.873 4.038 1.00 0.00 C ATOM 592 CG2 VAL A 38 66.601 -14.593 4.872 1.00 0.00 C ATOM 0 H VAL A 38 65.750 -14.478 7.265 1.00 0.00 H new ATOM 0 HA VAL A 38 63.314 -14.011 5.637 1.00 0.00 H new ATOM 0 HB VAL A 38 64.803 -15.002 3.756 1.00 0.00 H new ATOM 0 HG11 VAL A 38 65.614 -12.732 3.152 1.00 0.00 H new ATOM 0 HG12 VAL A 38 63.953 -12.673 3.788 1.00 0.00 H new ATOM 0 HG13 VAL A 38 65.319 -12.186 4.820 1.00 0.00 H new ATOM 0 HG21 VAL A 38 67.213 -14.444 3.982 1.00 0.00 H new ATOM 0 HG22 VAL A 38 66.930 -13.911 5.657 1.00 0.00 H new ATOM 0 HG23 VAL A 38 66.706 -15.621 5.217 1.00 0.00 H new ATOM 602 N MET A 39 62.797 -16.451 5.646 1.00 0.00 N ATOM 603 CA MET A 39 62.402 -17.857 5.799 1.00 0.00 C ATOM 604 C MET A 39 62.111 -18.485 4.444 1.00 0.00 C ATOM 605 O MET A 39 61.726 -17.800 3.498 1.00 0.00 O ATOM 606 CB MET A 39 61.153 -17.953 6.676 1.00 0.00 C ATOM 607 CG MET A 39 60.753 -19.421 6.865 1.00 0.00 C ATOM 608 SD MET A 39 59.370 -19.522 8.030 1.00 0.00 S ATOM 609 CE MET A 39 58.145 -18.653 7.016 1.00 0.00 C ATOM 0 H MET A 39 62.070 -15.852 5.256 1.00 0.00 H new ATOM 0 HA MET A 39 63.226 -18.394 6.269 1.00 0.00 H new ATOM 0 HB2 MET A 39 61.344 -17.492 7.645 1.00 0.00 H new ATOM 0 HB3 MET A 39 60.333 -17.401 6.216 1.00 0.00 H new ATOM 0 HG2 MET A 39 60.469 -19.858 5.908 1.00 0.00 H new ATOM 0 HG3 MET A 39 61.601 -19.995 7.239 1.00 0.00 H new ATOM 0 HE1 MET A 39 57.143 -18.980 7.296 1.00 0.00 H new ATOM 0 HE2 MET A 39 58.235 -17.579 7.178 1.00 0.00 H new ATOM 0 HE3 MET A 39 58.319 -18.877 5.964 1.00 0.00 H new ATOM 619 N THR A 40 62.287 -19.801 4.361 1.00 0.00 N ATOM 620 CA THR A 40 62.037 -20.531 3.119 1.00 0.00 C ATOM 621 C THR A 40 61.255 -21.814 3.391 1.00 0.00 C ATOM 622 O THR A 40 60.034 -21.851 3.239 1.00 0.00 O ATOM 623 CB THR A 40 63.369 -20.868 2.426 1.00 0.00 C ATOM 624 OG1 THR A 40 63.256 -22.119 1.769 1.00 0.00 O ATOM 625 CG2 THR A 40 64.495 -20.941 3.463 1.00 0.00 C ATOM 0 H THR A 40 62.601 -20.384 5.137 1.00 0.00 H new ATOM 0 HA THR A 40 61.442 -19.895 2.464 1.00 0.00 H new ATOM 0 HB THR A 40 63.600 -20.089 1.699 1.00 0.00 H new ATOM 0 HG1 THR A 40 63.997 -22.699 2.041 1.00 0.00 H new ATOM 0 HG21 THR A 40 65.434 -21.180 2.964 1.00 0.00 H new ATOM 0 HG22 THR A 40 64.587 -19.980 3.968 1.00 0.00 H new ATOM 0 HG23 THR A 40 64.266 -21.715 4.195 1.00 0.00 H new ATOM 633 N ASP A 41 61.967 -22.860 3.788 1.00 0.00 N ATOM 634 CA ASP A 41 61.335 -24.153 4.076 1.00 0.00 C ATOM 635 C ASP A 41 60.958 -24.245 5.555 1.00 0.00 C ATOM 636 O ASP A 41 61.199 -25.269 6.194 1.00 0.00 O ATOM 637 CB ASP A 41 62.311 -25.280 3.733 1.00 0.00 C ATOM 638 CG ASP A 41 62.467 -25.396 2.220 1.00 0.00 C ATOM 639 OD1 ASP A 41 61.618 -24.877 1.515 1.00 0.00 O ATOM 640 OD2 ASP A 41 63.428 -26.013 1.789 1.00 0.00 O ATOM 0 H ASP A 41 62.978 -22.845 3.919 1.00 0.00 H new ATOM 0 HA ASP A 41 60.431 -24.246 3.474 1.00 0.00 H new ATOM 0 HB2 ASP A 41 63.280 -25.085 4.192 1.00 0.00 H new ATOM 0 HB3 ASP A 41 61.948 -26.223 4.142 1.00 0.00 H new ATOM 645 N LYS A 42 60.375 -23.173 6.094 1.00 0.00 N ATOM 646 CA LYS A 42 59.981 -23.154 7.503 1.00 0.00 C ATOM 647 C LYS A 42 61.214 -23.151 8.401 1.00 0.00 C ATOM 648 O LYS A 42 61.227 -23.786 9.456 1.00 0.00 O ATOM 649 CB LYS A 42 59.099 -24.377 7.828 1.00 0.00 C ATOM 650 CG LYS A 42 58.247 -24.091 9.072 1.00 0.00 C ATOM 651 CD LYS A 42 57.273 -25.246 9.309 1.00 0.00 C ATOM 652 CE LYS A 42 56.397 -24.920 10.520 1.00 0.00 C ATOM 653 NZ LYS A 42 55.437 -26.035 10.759 1.00 0.00 N ATOM 0 H LYS A 42 60.167 -22.315 5.583 1.00 0.00 H new ATOM 0 HA LYS A 42 59.409 -22.245 7.688 1.00 0.00 H new ATOM 0 HB2 LYS A 42 58.454 -24.607 6.980 1.00 0.00 H new ATOM 0 HB3 LYS A 42 59.725 -25.253 7.999 1.00 0.00 H new ATOM 0 HG2 LYS A 42 58.890 -23.961 9.942 1.00 0.00 H new ATOM 0 HG3 LYS A 42 57.696 -23.160 8.941 1.00 0.00 H new ATOM 0 HD2 LYS A 42 56.652 -25.402 8.427 1.00 0.00 H new ATOM 0 HD3 LYS A 42 57.822 -26.172 9.480 1.00 0.00 H new ATOM 0 HE2 LYS A 42 57.020 -24.768 11.401 1.00 0.00 H new ATOM 0 HE3 LYS A 42 55.854 -23.990 10.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 54.843 -25.811 11.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 54.834 -26.160 9.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 55.963 -26.913 10.941 1.00 0.00 H new ATOM 667 N VAL A 43 62.249 -22.425 7.978 1.00 0.00 N ATOM 668 CA VAL A 43 63.489 -22.332 8.752 1.00 0.00 C ATOM 669 C VAL A 43 63.918 -20.874 8.863 1.00 0.00 C ATOM 670 O VAL A 43 63.867 -20.130 7.883 1.00 0.00 O ATOM 671 CB VAL A 43 64.596 -23.130 8.063 1.00 0.00 C ATOM 672 CG1 VAL A 43 65.840 -23.166 8.952 1.00 0.00 C ATOM 673 CG2 VAL A 43 64.108 -24.557 7.795 1.00 0.00 C ATOM 0 H VAL A 43 62.255 -21.894 7.107 1.00 0.00 H new ATOM 0 HA VAL A 43 63.314 -22.740 9.748 1.00 0.00 H new ATOM 0 HB VAL A 43 64.849 -22.652 7.117 1.00 0.00 H new ATOM 0 HG11 VAL A 43 66.625 -23.736 8.456 1.00 0.00 H new ATOM 0 HG12 VAL A 43 66.188 -22.149 9.132 1.00 0.00 H new ATOM 0 HG13 VAL A 43 65.594 -23.639 9.903 1.00 0.00 H new ATOM 0 HG21 VAL A 43 64.898 -25.125 7.304 1.00 0.00 H new ATOM 0 HG22 VAL A 43 63.849 -25.036 8.739 1.00 0.00 H new ATOM 0 HG23 VAL A 43 63.229 -24.526 7.151 1.00 0.00 H new ATOM 683 N THR A 44 64.347 -20.468 10.052 1.00 0.00 N ATOM 684 CA THR A 44 64.785 -19.083 10.266 1.00 0.00 C ATOM 685 C THR A 44 66.294 -18.980 10.087 1.00 0.00 C ATOM 686 O THR A 44 67.065 -19.537 10.868 1.00 0.00 O ATOM 687 CB THR A 44 64.412 -18.619 11.679 1.00 0.00 C ATOM 688 OG1 THR A 44 63.087 -19.034 11.978 1.00 0.00 O ATOM 689 CG2 THR A 44 64.496 -17.091 11.768 1.00 0.00 C ATOM 0 H THR A 44 64.403 -21.065 10.877 1.00 0.00 H new ATOM 0 HA THR A 44 64.286 -18.447 9.535 1.00 0.00 H new ATOM 0 HB THR A 44 65.107 -19.059 12.394 1.00 0.00 H new ATOM 0 HG1 THR A 44 62.848 -18.739 12.882 1.00 0.00 H new ATOM 0 HG21 THR A 44 64.229 -16.770 12.775 1.00 0.00 H new ATOM 0 HG22 THR A 44 65.512 -16.769 11.541 1.00 0.00 H new ATOM 0 HG23 THR A 44 63.806 -16.646 11.051 1.00 0.00 H new ATOM 697 N VAL A 45 66.705 -18.260 9.050 1.00 0.00 N ATOM 698 CA VAL A 45 68.128 -18.072 8.754 1.00 0.00 C ATOM 699 C VAL A 45 68.436 -16.604 8.485 1.00 0.00 C ATOM 700 O VAL A 45 67.724 -15.937 7.732 1.00 0.00 O ATOM 701 CB VAL A 45 68.518 -18.901 7.529 1.00 0.00 C ATOM 702 CG1 VAL A 45 68.282 -20.383 7.818 1.00 0.00 C ATOM 703 CG2 VAL A 45 67.670 -18.474 6.328 1.00 0.00 C ATOM 0 H VAL A 45 66.075 -17.794 8.397 1.00 0.00 H new ATOM 0 HA VAL A 45 68.702 -18.400 9.621 1.00 0.00 H new ATOM 0 HB VAL A 45 69.572 -18.738 7.304 1.00 0.00 H new ATOM 0 HG11 VAL A 45 68.560 -20.973 6.945 1.00 0.00 H new ATOM 0 HG12 VAL A 45 68.889 -20.689 8.670 1.00 0.00 H new ATOM 0 HG13 VAL A 45 67.229 -20.546 8.045 1.00 0.00 H new ATOM 0 HG21 VAL A 45 67.950 -19.066 5.456 1.00 0.00 H new ATOM 0 HG22 VAL A 45 66.615 -18.634 6.552 1.00 0.00 H new ATOM 0 HG23 VAL A 45 67.841 -17.418 6.119 1.00 0.00 H new ATOM 713 N LYS A 46 69.511 -16.104 9.099 1.00 0.00 N ATOM 714 CA LYS A 46 69.915 -14.710 8.907 1.00 0.00 C ATOM 715 C LYS A 46 70.945 -14.599 7.783 1.00 0.00 C ATOM 716 O LYS A 46 71.969 -15.280 7.785 1.00 0.00 O ATOM 717 CB LYS A 46 70.451 -14.119 10.234 1.00 0.00 C ATOM 718 CG LYS A 46 71.924 -14.494 10.501 1.00 0.00 C ATOM 719 CD LYS A 46 72.071 -16.010 10.669 1.00 0.00 C ATOM 720 CE LYS A 46 73.529 -16.347 10.981 1.00 0.00 C ATOM 721 NZ LYS A 46 73.660 -17.817 11.188 1.00 0.00 N ATOM 0 H LYS A 46 70.112 -16.638 9.727 1.00 0.00 H new ATOM 0 HA LYS A 46 69.043 -14.127 8.611 1.00 0.00 H new ATOM 0 HB2 LYS A 46 70.356 -13.033 10.208 1.00 0.00 H new ATOM 0 HB3 LYS A 46 69.835 -14.474 11.060 1.00 0.00 H new ATOM 0 HG2 LYS A 46 72.548 -14.152 9.675 1.00 0.00 H new ATOM 0 HG3 LYS A 46 72.277 -13.987 11.399 1.00 0.00 H new ATOM 0 HD2 LYS A 46 71.425 -16.362 11.473 1.00 0.00 H new ATOM 0 HD3 LYS A 46 71.755 -16.520 9.759 1.00 0.00 H new ATOM 0 HE2 LYS A 46 74.172 -16.024 10.162 1.00 0.00 H new ATOM 0 HE3 LYS A 46 73.855 -15.812 11.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 74.651 -18.051 11.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 73.057 -18.111 11.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 73.364 -18.317 10.325 1.00 0.00 H new ATOM 735 N ILE A 47 70.641 -13.752 6.802 1.00 0.00 N ATOM 736 CA ILE A 47 71.523 -13.554 5.646 1.00 0.00 C ATOM 737 C ILE A 47 71.663 -12.061 5.328 1.00 0.00 C ATOM 738 O ILE A 47 70.939 -11.531 4.486 1.00 0.00 O ATOM 739 CB ILE A 47 70.956 -14.276 4.420 1.00 0.00 C ATOM 740 CG1 ILE A 47 70.820 -15.773 4.721 1.00 0.00 C ATOM 741 CG2 ILE A 47 71.903 -14.087 3.234 1.00 0.00 C ATOM 742 CD1 ILE A 47 70.021 -16.454 3.608 1.00 0.00 C ATOM 0 H ILE A 47 69.790 -13.190 6.781 1.00 0.00 H new ATOM 0 HA ILE A 47 72.503 -13.963 5.891 1.00 0.00 H new ATOM 0 HB ILE A 47 69.977 -13.861 4.179 1.00 0.00 H new ATOM 0 HG12 ILE A 47 71.807 -16.228 4.803 1.00 0.00 H new ATOM 0 HG13 ILE A 47 70.322 -15.917 5.680 1.00 0.00 H new ATOM 0 HG21 ILE A 47 71.500 -14.601 2.361 1.00 0.00 H new ATOM 0 HG22 ILE A 47 72.004 -13.024 3.015 1.00 0.00 H new ATOM 0 HG23 ILE A 47 72.881 -14.501 3.479 1.00 0.00 H new ATOM 0 HD11 ILE A 47 69.927 -17.518 3.826 1.00 0.00 H new ATOM 0 HD12 ILE A 47 69.029 -16.007 3.547 1.00 0.00 H new ATOM 0 HD13 ILE A 47 70.537 -16.323 2.657 1.00 0.00 H new ATOM 754 N PRO A 48 72.578 -11.378 5.974 1.00 0.00 N ATOM 755 CA PRO A 48 72.810 -9.915 5.735 1.00 0.00 C ATOM 756 C PRO A 48 73.181 -9.630 4.273 1.00 0.00 C ATOM 757 O PRO A 48 73.847 -10.439 3.627 1.00 0.00 O ATOM 758 CB PRO A 48 73.973 -9.571 6.693 1.00 0.00 C ATOM 759 CG PRO A 48 73.969 -10.657 7.722 1.00 0.00 C ATOM 760 CD PRO A 48 73.481 -11.910 7.006 1.00 0.00 C ATOM 0 HA PRO A 48 71.920 -9.314 5.919 1.00 0.00 H new ATOM 0 HB2 PRO A 48 74.924 -9.536 6.161 1.00 0.00 H new ATOM 0 HB3 PRO A 48 73.829 -8.593 7.152 1.00 0.00 H new ATOM 0 HG2 PRO A 48 74.966 -10.807 8.135 1.00 0.00 H new ATOM 0 HG3 PRO A 48 73.314 -10.403 8.555 1.00 0.00 H new ATOM 0 HD2 PRO A 48 74.307 -12.471 6.568 1.00 0.00 H new ATOM 0 HD3 PRO A 48 72.962 -12.586 7.686 1.00 0.00 H new ATOM 768 N SER A 49 72.732 -8.484 3.753 1.00 0.00 N ATOM 769 CA SER A 49 73.019 -8.121 2.368 1.00 0.00 C ATOM 770 C SER A 49 74.480 -7.669 2.215 1.00 0.00 C ATOM 771 O SER A 49 74.952 -6.853 3.008 1.00 0.00 O ATOM 772 CB SER A 49 72.084 -6.991 1.923 1.00 0.00 C ATOM 773 OG SER A 49 70.816 -7.168 2.539 1.00 0.00 O ATOM 0 H SER A 49 72.175 -7.801 4.266 1.00 0.00 H new ATOM 0 HA SER A 49 72.858 -8.998 1.742 1.00 0.00 H new ATOM 0 HB2 SER A 49 72.505 -6.024 2.199 1.00 0.00 H new ATOM 0 HB3 SER A 49 71.979 -6.995 0.838 1.00 0.00 H new ATOM 0 HG SER A 49 70.638 -6.417 3.144 1.00 0.00 H new ATOM 779 N PRO A 50 75.211 -8.169 1.236 1.00 0.00 N ATOM 780 CA PRO A 50 76.641 -7.774 1.038 1.00 0.00 C ATOM 781 C PRO A 50 76.823 -6.320 0.572 1.00 0.00 C ATOM 782 O PRO A 50 77.936 -5.793 0.621 1.00 0.00 O ATOM 783 CB PRO A 50 77.158 -8.772 -0.018 1.00 0.00 C ATOM 784 CG PRO A 50 75.944 -9.247 -0.753 1.00 0.00 C ATOM 785 CD PRO A 50 74.774 -9.168 0.234 1.00 0.00 C ATOM 0 HA PRO A 50 77.192 -7.812 1.978 1.00 0.00 H new ATOM 0 HB2 PRO A 50 77.864 -8.294 -0.696 1.00 0.00 H new ATOM 0 HB3 PRO A 50 77.682 -9.604 0.453 1.00 0.00 H new ATOM 0 HG2 PRO A 50 75.754 -8.627 -1.629 1.00 0.00 H new ATOM 0 HG3 PRO A 50 76.082 -10.268 -1.109 1.00 0.00 H new ATOM 0 HD2 PRO A 50 73.854 -8.858 -0.262 1.00 0.00 H new ATOM 0 HD3 PRO A 50 74.577 -10.135 0.696 1.00 0.00 H new ATOM 793 N VAL A 51 75.750 -5.678 0.095 1.00 0.00 N ATOM 794 CA VAL A 51 75.838 -4.295 -0.402 1.00 0.00 C ATOM 795 C VAL A 51 74.655 -3.450 0.082 1.00 0.00 C ATOM 796 O VAL A 51 73.587 -3.979 0.388 1.00 0.00 O ATOM 797 CB VAL A 51 75.860 -4.333 -1.945 1.00 0.00 C ATOM 798 CG1 VAL A 51 77.287 -4.615 -2.434 1.00 0.00 C ATOM 799 CG2 VAL A 51 74.941 -5.464 -2.410 1.00 0.00 C ATOM 0 H VAL A 51 74.817 -6.087 0.042 1.00 0.00 H new ATOM 0 HA VAL A 51 76.748 -3.836 -0.017 1.00 0.00 H new ATOM 0 HB VAL A 51 75.525 -3.377 -2.346 1.00 0.00 H new ATOM 0 HG11 VAL A 51 77.300 -4.641 -3.524 1.00 0.00 H new ATOM 0 HG12 VAL A 51 77.954 -3.828 -2.082 1.00 0.00 H new ATOM 0 HG13 VAL A 51 77.622 -5.576 -2.044 1.00 0.00 H new ATOM 0 HG21 VAL A 51 74.942 -5.509 -3.499 1.00 0.00 H new ATOM 0 HG22 VAL A 51 75.298 -6.412 -2.008 1.00 0.00 H new ATOM 0 HG23 VAL A 51 73.927 -5.278 -2.055 1.00 0.00 H new ATOM 809 N ARG A 52 74.864 -2.132 0.140 1.00 0.00 N ATOM 810 CA ARG A 52 73.828 -1.197 0.574 1.00 0.00 C ATOM 811 C ARG A 52 74.301 0.229 0.266 1.00 0.00 C ATOM 812 O ARG A 52 75.495 0.457 0.074 1.00 0.00 O ATOM 813 CB ARG A 52 73.552 -1.389 2.089 1.00 0.00 C ATOM 814 CG ARG A 52 72.046 -1.556 2.379 1.00 0.00 C ATOM 815 CD ARG A 52 71.563 -2.948 1.948 1.00 0.00 C ATOM 816 NE ARG A 52 70.233 -3.199 2.489 1.00 0.00 N ATOM 817 CZ ARG A 52 69.489 -4.206 2.045 1.00 0.00 C ATOM 818 NH1 ARG A 52 69.950 -5.004 1.121 1.00 0.00 N ATOM 819 NH2 ARG A 52 68.298 -4.409 2.539 1.00 0.00 N ATOM 0 H ARG A 52 75.748 -1.688 -0.110 1.00 0.00 H new ATOM 0 HA ARG A 52 72.895 -1.382 0.042 1.00 0.00 H new ATOM 0 HB2 ARG A 52 74.091 -2.265 2.449 1.00 0.00 H new ATOM 0 HB3 ARG A 52 73.936 -0.530 2.640 1.00 0.00 H new ATOM 0 HG2 ARG A 52 71.857 -1.413 3.443 1.00 0.00 H new ATOM 0 HG3 ARG A 52 71.481 -0.789 1.849 1.00 0.00 H new ATOM 0 HD2 ARG A 52 71.542 -3.015 0.860 1.00 0.00 H new ATOM 0 HD3 ARG A 52 72.259 -3.710 2.301 1.00 0.00 H new ATOM 0 HE ARG A 52 69.867 -2.591 3.221 1.00 0.00 H new ATOM 0 HH11 ARG A 52 70.884 -4.855 0.738 1.00 0.00 H new ATOM 0 HH12 ARG A 52 69.377 -5.776 0.782 1.00 0.00 H new ATOM 0 HH21 ARG A 52 67.936 -3.794 3.268 1.00 0.00 H new ATOM 0 HH22 ARG A 52 67.729 -5.183 2.196 1.00 0.00 H new ATOM 833 N GLY A 53 73.368 1.177 0.202 1.00 0.00 N ATOM 834 CA GLY A 53 73.719 2.559 -0.100 1.00 0.00 C ATOM 835 C GLY A 53 72.507 3.463 0.071 1.00 0.00 C ATOM 836 O GLY A 53 72.337 4.096 1.113 1.00 0.00 O ATOM 0 H GLY A 53 72.373 1.014 0.354 1.00 0.00 H new ATOM 0 HA2 GLY A 53 74.523 2.889 0.558 1.00 0.00 H new ATOM 0 HA3 GLY A 53 74.093 2.631 -1.121 1.00 0.00 H new ATOM 840 N LYS A 54 71.662 3.517 -0.960 1.00 0.00 N ATOM 841 CA LYS A 54 70.456 4.342 -0.923 1.00 0.00 C ATOM 842 C LYS A 54 69.232 3.484 -1.213 1.00 0.00 C ATOM 843 O LYS A 54 69.160 2.813 -2.242 1.00 0.00 O ATOM 844 CB LYS A 54 70.566 5.464 -1.965 1.00 0.00 C ATOM 845 CG LYS A 54 69.342 6.377 -1.879 1.00 0.00 C ATOM 846 CD LYS A 54 69.505 7.528 -2.874 1.00 0.00 C ATOM 847 CE LYS A 54 68.292 8.456 -2.786 1.00 0.00 C ATOM 848 NZ LYS A 54 68.459 9.593 -3.735 1.00 0.00 N ATOM 0 H LYS A 54 71.791 2.999 -1.829 1.00 0.00 H new ATOM 0 HA LYS A 54 70.353 4.782 0.069 1.00 0.00 H new ATOM 0 HB2 LYS A 54 71.474 6.042 -1.795 1.00 0.00 H new ATOM 0 HB3 LYS A 54 70.642 5.037 -2.965 1.00 0.00 H new ATOM 0 HG2 LYS A 54 68.436 5.813 -2.101 1.00 0.00 H new ATOM 0 HG3 LYS A 54 69.234 6.767 -0.867 1.00 0.00 H new ATOM 0 HD2 LYS A 54 70.417 8.084 -2.657 1.00 0.00 H new ATOM 0 HD3 LYS A 54 69.603 7.136 -3.886 1.00 0.00 H new ATOM 0 HE2 LYS A 54 67.382 7.904 -3.021 1.00 0.00 H new ATOM 0 HE3 LYS A 54 68.183 8.832 -1.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 67.633 10.222 -3.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 69.318 10.125 -3.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 68.542 9.226 -4.705 1.00 0.00 H new ATOM 862 N ILE A 55 68.269 3.506 -0.294 1.00 0.00 N ATOM 863 CA ILE A 55 67.048 2.720 -0.459 1.00 0.00 C ATOM 864 C ILE A 55 65.949 3.625 -1.019 1.00 0.00 C ATOM 865 O ILE A 55 65.542 4.592 -0.374 1.00 0.00 O ATOM 866 CB ILE A 55 66.629 2.158 0.911 1.00 0.00 C ATOM 867 CG1 ILE A 55 67.874 1.715 1.695 1.00 0.00 C ATOM 868 CG2 ILE A 55 65.696 0.961 0.728 1.00 0.00 C ATOM 869 CD1 ILE A 55 68.717 0.731 0.875 1.00 0.00 C ATOM 0 H ILE A 55 68.309 4.054 0.565 1.00 0.00 H new ATOM 0 HA ILE A 55 67.216 1.893 -1.149 1.00 0.00 H new ATOM 0 HB ILE A 55 66.107 2.939 1.464 1.00 0.00 H new ATOM 0 HG12 ILE A 55 68.475 2.587 1.954 1.00 0.00 H new ATOM 0 HG13 ILE A 55 67.571 1.247 2.632 1.00 0.00 H new ATOM 0 HG21 ILE A 55 65.407 0.572 1.704 1.00 0.00 H new ATOM 0 HG22 ILE A 55 64.805 1.274 0.184 1.00 0.00 H new ATOM 0 HG23 ILE A 55 66.210 0.182 0.165 1.00 0.00 H new ATOM 0 HD11 ILE A 55 69.592 0.433 1.452 1.00 0.00 H new ATOM 0 HD12 ILE A 55 68.121 -0.150 0.639 1.00 0.00 H new ATOM 0 HD13 ILE A 55 69.038 1.210 -0.050 1.00 0.00 H new ATOM 881 N VAL A 56 65.489 3.328 -2.233 1.00 0.00 N ATOM 882 CA VAL A 56 64.466 4.162 -2.872 1.00 0.00 C ATOM 883 C VAL A 56 63.063 3.895 -2.319 1.00 0.00 C ATOM 884 O VAL A 56 62.370 4.830 -1.920 1.00 0.00 O ATOM 885 CB VAL A 56 64.478 3.936 -4.403 1.00 0.00 C ATOM 886 CG1 VAL A 56 63.195 4.486 -5.048 1.00 0.00 C ATOM 887 CG2 VAL A 56 65.677 4.669 -5.021 1.00 0.00 C ATOM 0 H VAL A 56 65.800 2.531 -2.788 1.00 0.00 H new ATOM 0 HA VAL A 56 64.712 5.200 -2.647 1.00 0.00 H new ATOM 0 HB VAL A 56 64.545 2.864 -4.586 1.00 0.00 H new ATOM 0 HG11 VAL A 56 63.227 4.315 -6.124 1.00 0.00 H new ATOM 0 HG12 VAL A 56 62.328 3.977 -4.625 1.00 0.00 H new ATOM 0 HG13 VAL A 56 63.119 5.556 -4.852 1.00 0.00 H new ATOM 0 HG21 VAL A 56 65.685 4.509 -6.099 1.00 0.00 H new ATOM 0 HG22 VAL A 56 65.598 5.736 -4.813 1.00 0.00 H new ATOM 0 HG23 VAL A 56 66.601 4.283 -4.590 1.00 0.00 H new ATOM 897 N LYS A 57 62.627 2.637 -2.332 1.00 0.00 N ATOM 898 CA LYS A 57 61.281 2.330 -1.858 1.00 0.00 C ATOM 899 C LYS A 57 61.101 0.837 -1.616 1.00 0.00 C ATOM 900 O LYS A 57 61.767 0.009 -2.239 1.00 0.00 O ATOM 901 CB LYS A 57 60.259 2.809 -2.892 1.00 0.00 C ATOM 902 CG LYS A 57 58.842 2.624 -2.346 1.00 0.00 C ATOM 903 CD LYS A 57 57.831 3.176 -3.354 1.00 0.00 C ATOM 904 CE LYS A 57 56.415 3.008 -2.798 1.00 0.00 C ATOM 905 NZ LYS A 57 55.428 3.532 -3.783 1.00 0.00 N ATOM 0 H LYS A 57 63.168 1.835 -2.656 1.00 0.00 H new ATOM 0 HA LYS A 57 61.127 2.845 -0.910 1.00 0.00 H new ATOM 0 HB2 LYS A 57 60.433 3.859 -3.129 1.00 0.00 H new ATOM 0 HB3 LYS A 57 60.377 2.249 -3.820 1.00 0.00 H new ATOM 0 HG2 LYS A 57 58.647 1.568 -2.161 1.00 0.00 H new ATOM 0 HG3 LYS A 57 58.738 3.140 -1.391 1.00 0.00 H new ATOM 0 HD2 LYS A 57 58.034 4.229 -3.550 1.00 0.00 H new ATOM 0 HD3 LYS A 57 57.925 2.651 -4.305 1.00 0.00 H new ATOM 0 HE2 LYS A 57 56.216 1.956 -2.593 1.00 0.00 H new ATOM 0 HE3 LYS A 57 56.319 3.541 -1.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 54.466 3.418 -3.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 55.614 4.540 -3.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 55.514 3.004 -4.675 1.00 0.00 H new ATOM 919 N ILE A 58 60.195 0.503 -0.698 1.00 0.00 N ATOM 920 CA ILE A 58 59.916 -0.890 -0.355 1.00 0.00 C ATOM 921 C ILE A 58 58.575 -1.332 -0.950 1.00 0.00 C ATOM 922 O ILE A 58 57.532 -0.743 -0.668 1.00 0.00 O ATOM 923 CB ILE A 58 59.897 -1.002 1.174 1.00 0.00 C ATOM 924 CG1 ILE A 58 60.041 -2.466 1.599 1.00 0.00 C ATOM 925 CG2 ILE A 58 58.589 -0.414 1.730 1.00 0.00 C ATOM 926 CD1 ILE A 58 59.688 -2.621 3.087 1.00 0.00 C ATOM 0 H ILE A 58 59.640 1.182 -0.177 1.00 0.00 H new ATOM 0 HA ILE A 58 60.685 -1.543 -0.768 1.00 0.00 H new ATOM 0 HB ILE A 58 60.737 -0.437 1.578 1.00 0.00 H new ATOM 0 HG12 ILE A 58 59.387 -3.094 0.995 1.00 0.00 H new ATOM 0 HG13 ILE A 58 61.062 -2.806 1.422 1.00 0.00 H new ATOM 0 HG21 ILE A 58 58.585 -0.498 2.817 1.00 0.00 H new ATOM 0 HG22 ILE A 58 58.513 0.636 1.447 1.00 0.00 H new ATOM 0 HG23 ILE A 58 57.741 -0.962 1.321 1.00 0.00 H new ATOM 0 HD11 ILE A 58 59.794 -3.666 3.379 1.00 0.00 H new ATOM 0 HD12 ILE A 58 60.360 -2.007 3.686 1.00 0.00 H new ATOM 0 HD13 ILE A 58 58.659 -2.300 3.252 1.00 0.00 H new ATOM 938 N LEU A 59 58.619 -2.370 -1.785 1.00 0.00 N ATOM 939 CA LEU A 59 57.412 -2.888 -2.434 1.00 0.00 C ATOM 940 C LEU A 59 56.825 -4.058 -1.648 1.00 0.00 C ATOM 941 O LEU A 59 55.667 -4.428 -1.846 1.00 0.00 O ATOM 942 CB LEU A 59 57.745 -3.340 -3.859 1.00 0.00 C ATOM 943 CG LEU A 59 58.129 -2.125 -4.717 1.00 0.00 C ATOM 944 CD1 LEU A 59 58.724 -2.615 -6.042 1.00 0.00 C ATOM 945 CD2 LEU A 59 56.894 -1.243 -4.997 1.00 0.00 C ATOM 0 H LEU A 59 59.475 -2.869 -2.028 1.00 0.00 H new ATOM 0 HA LEU A 59 56.671 -2.089 -2.465 1.00 0.00 H new ATOM 0 HB2 LEU A 59 58.566 -4.057 -3.840 1.00 0.00 H new ATOM 0 HB3 LEU A 59 56.887 -3.850 -4.298 1.00 0.00 H new ATOM 0 HG LEU A 59 58.863 -1.527 -4.177 1.00 0.00 H new ATOM 0 HD11 LEU A 59 58.999 -1.758 -6.656 1.00 0.00 H new ATOM 0 HD12 LEU A 59 59.610 -3.217 -5.842 1.00 0.00 H new ATOM 0 HD13 LEU A 59 57.987 -3.219 -6.571 1.00 0.00 H new ATOM 0 HD21 LEU A 59 57.188 -0.388 -5.606 1.00 0.00 H new ATOM 0 HD22 LEU A 59 56.143 -1.827 -5.529 1.00 0.00 H new ATOM 0 HD23 LEU A 59 56.477 -0.890 -4.054 1.00 0.00 H new ATOM 957 N TYR A 60 57.631 -4.648 -0.766 1.00 0.00 N ATOM 958 CA TYR A 60 57.186 -5.793 0.041 1.00 0.00 C ATOM 959 C TYR A 60 57.022 -5.405 1.511 1.00 0.00 C ATOM 960 O TYR A 60 57.803 -4.624 2.056 1.00 0.00 O ATOM 961 CB TYR A 60 58.196 -6.949 -0.086 1.00 0.00 C ATOM 962 CG TYR A 60 57.917 -7.742 -1.355 1.00 0.00 C ATOM 963 CD1 TYR A 60 58.063 -7.132 -2.611 1.00 0.00 C ATOM 964 CD2 TYR A 60 57.513 -9.088 -1.281 1.00 0.00 C ATOM 965 CE1 TYR A 60 57.808 -7.859 -3.779 1.00 0.00 C ATOM 966 CE2 TYR A 60 57.259 -9.810 -2.451 1.00 0.00 C ATOM 967 CZ TYR A 60 57.404 -9.196 -3.700 1.00 0.00 C ATOM 968 OH TYR A 60 57.159 -9.908 -4.857 1.00 0.00 O ATOM 0 H TYR A 60 58.592 -4.357 -0.590 1.00 0.00 H new ATOM 0 HA TYR A 60 56.215 -6.115 -0.335 1.00 0.00 H new ATOM 0 HB2 TYR A 60 59.212 -6.555 -0.109 1.00 0.00 H new ATOM 0 HB3 TYR A 60 58.126 -7.602 0.784 1.00 0.00 H new ATOM 0 HD1 TYR A 60 58.373 -6.099 -2.676 1.00 0.00 H new ATOM 0 HD2 TYR A 60 57.399 -9.564 -0.318 1.00 0.00 H new ATOM 0 HE1 TYR A 60 57.923 -7.387 -4.744 1.00 0.00 H new ATOM 0 HE2 TYR A 60 56.950 -10.843 -2.391 1.00 0.00 H new ATOM 0 HH TYR A 60 57.641 -10.760 -4.825 1.00 0.00 H new ATOM 978 N ARG A 61 55.994 -5.975 2.143 1.00 0.00 N ATOM 979 CA ARG A 61 55.702 -5.716 3.555 1.00 0.00 C ATOM 980 C ARG A 61 55.600 -7.040 4.313 1.00 0.00 C ATOM 981 O ARG A 61 55.440 -8.101 3.712 1.00 0.00 O ATOM 982 CB ARG A 61 54.384 -4.943 3.670 1.00 0.00 C ATOM 983 CG ARG A 61 54.236 -4.351 5.076 1.00 0.00 C ATOM 984 CD ARG A 61 52.932 -3.555 5.151 1.00 0.00 C ATOM 985 NE ARG A 61 52.983 -2.419 4.240 1.00 0.00 N ATOM 986 CZ ARG A 61 53.555 -1.271 4.591 1.00 0.00 C ATOM 987 NH1 ARG A 61 54.079 -1.138 5.780 1.00 0.00 N ATOM 988 NH2 ARG A 61 53.605 -0.280 3.745 1.00 0.00 N ATOM 0 H ARG A 61 55.346 -6.623 1.696 1.00 0.00 H new ATOM 0 HA ARG A 61 56.506 -5.121 3.989 1.00 0.00 H new ATOM 0 HB2 ARG A 61 54.356 -4.146 2.927 1.00 0.00 H new ATOM 0 HB3 ARG A 61 53.546 -5.606 3.457 1.00 0.00 H new ATOM 0 HG2 ARG A 61 54.234 -5.147 5.821 1.00 0.00 H new ATOM 0 HG3 ARG A 61 55.084 -3.705 5.303 1.00 0.00 H new ATOM 0 HD2 ARG A 61 52.090 -4.198 4.895 1.00 0.00 H new ATOM 0 HD3 ARG A 61 52.769 -3.206 6.171 1.00 0.00 H new ATOM 0 HE ARG A 61 52.570 -2.506 3.311 1.00 0.00 H new ATOM 0 HH11 ARG A 61 54.050 -1.915 6.440 1.00 0.00 H new ATOM 0 HH12 ARG A 61 54.518 -0.257 6.048 1.00 0.00 H new ATOM 0 HH21 ARG A 61 53.205 -0.385 2.813 1.00 0.00 H new ATOM 0 HH22 ARG A 61 54.044 0.600 4.016 1.00 0.00 H new ATOM 1002 N GLU A 62 55.698 -6.964 5.633 1.00 0.00 N ATOM 1003 CA GLU A 62 55.625 -8.156 6.475 1.00 0.00 C ATOM 1004 C GLU A 62 54.355 -8.953 6.220 1.00 0.00 C ATOM 1005 O GLU A 62 53.295 -8.392 5.938 1.00 0.00 O ATOM 1006 CB GLU A 62 55.657 -7.762 7.952 1.00 0.00 C ATOM 1007 CG GLU A 62 57.027 -7.195 8.315 1.00 0.00 C ATOM 1008 CD GLU A 62 58.083 -8.295 8.250 1.00 0.00 C ATOM 1009 OE1 GLU A 62 57.704 -9.452 8.328 1.00 0.00 O ATOM 1010 OE2 GLU A 62 59.250 -7.964 8.120 1.00 0.00 O ATOM 0 H GLU A 62 55.828 -6.092 6.146 1.00 0.00 H new ATOM 0 HA GLU A 62 56.486 -8.775 6.225 1.00 0.00 H new ATOM 0 HB2 GLU A 62 54.883 -7.022 8.156 1.00 0.00 H new ATOM 0 HB3 GLU A 62 55.438 -8.631 8.573 1.00 0.00 H new ATOM 0 HG2 GLU A 62 57.288 -6.388 7.630 1.00 0.00 H new ATOM 0 HG3 GLU A 62 56.998 -6.766 9.317 1.00 0.00 H new ATOM 1017 N GLY A 63 54.467 -10.270 6.359 1.00 0.00 N ATOM 1018 CA GLY A 63 53.305 -11.151 6.175 1.00 0.00 C ATOM 1019 C GLY A 63 53.068 -11.482 4.706 1.00 0.00 C ATOM 1020 O GLY A 63 52.063 -12.103 4.359 1.00 0.00 O ATOM 0 H GLY A 63 55.335 -10.751 6.595 1.00 0.00 H new ATOM 0 HA2 GLY A 63 53.457 -12.074 6.735 1.00 0.00 H new ATOM 0 HA3 GLY A 63 52.417 -10.671 6.587 1.00 0.00 H new ATOM 1024 N GLN A 64 53.986 -11.060 3.842 1.00 0.00 N ATOM 1025 CA GLN A 64 53.846 -11.314 2.407 1.00 0.00 C ATOM 1026 C GLN A 64 54.671 -12.517 1.964 1.00 0.00 C ATOM 1027 O GLN A 64 55.848 -12.646 2.301 1.00 0.00 O ATOM 1028 CB GLN A 64 54.277 -10.078 1.620 1.00 0.00 C ATOM 1029 CG GLN A 64 53.241 -8.974 1.826 1.00 0.00 C ATOM 1030 CD GLN A 64 53.659 -7.718 1.072 1.00 0.00 C ATOM 1031 OE1 GLN A 64 54.645 -7.737 0.337 1.00 0.00 O ATOM 1032 NE2 GLN A 64 52.960 -6.625 1.204 1.00 0.00 N ATOM 0 H GLN A 64 54.827 -10.546 4.104 1.00 0.00 H new ATOM 0 HA GLN A 64 52.797 -11.535 2.208 1.00 0.00 H new ATOM 0 HB2 GLN A 64 55.258 -9.741 1.955 1.00 0.00 H new ATOM 0 HB3 GLN A 64 54.367 -10.318 0.561 1.00 0.00 H new ATOM 0 HG2 GLN A 64 52.265 -9.310 1.476 1.00 0.00 H new ATOM 0 HG3 GLN A 64 53.140 -8.753 2.889 1.00 0.00 H new ATOM 0 HE21 GLN A 64 52.143 -6.613 1.814 1.00 0.00 H new ATOM 0 HE22 GLN A 64 53.230 -5.782 0.697 1.00 0.00 H new ATOM 1041 N VAL A 65 54.027 -13.382 1.183 1.00 0.00 N ATOM 1042 CA VAL A 65 54.666 -14.585 0.644 1.00 0.00 C ATOM 1043 C VAL A 65 54.469 -14.595 -0.867 1.00 0.00 C ATOM 1044 O VAL A 65 53.354 -14.406 -1.351 1.00 0.00 O ATOM 1045 CB VAL A 65 54.051 -15.846 1.269 1.00 0.00 C ATOM 1046 CG1 VAL A 65 52.526 -15.798 1.146 1.00 0.00 C ATOM 1047 CG2 VAL A 65 54.584 -17.087 0.544 1.00 0.00 C ATOM 0 H VAL A 65 53.052 -13.271 0.906 1.00 0.00 H new ATOM 0 HA VAL A 65 55.730 -14.578 0.883 1.00 0.00 H new ATOM 0 HB VAL A 65 54.323 -15.893 2.323 1.00 0.00 H new ATOM 0 HG11 VAL A 65 52.097 -16.695 1.591 1.00 0.00 H new ATOM 0 HG12 VAL A 65 52.147 -14.918 1.665 1.00 0.00 H new ATOM 0 HG13 VAL A 65 52.247 -15.746 0.093 1.00 0.00 H new ATOM 0 HG21 VAL A 65 54.148 -17.982 0.987 1.00 0.00 H new ATOM 0 HG22 VAL A 65 54.314 -17.036 -0.511 1.00 0.00 H new ATOM 0 HG23 VAL A 65 55.669 -17.126 0.640 1.00 0.00 H new ATOM 1057 N VAL A 66 55.556 -14.780 -1.614 1.00 0.00 N ATOM 1058 CA VAL A 66 55.477 -14.759 -3.079 1.00 0.00 C ATOM 1059 C VAL A 66 56.506 -15.713 -3.720 1.00 0.00 C ATOM 1060 O VAL A 66 57.642 -15.786 -3.250 1.00 0.00 O ATOM 1061 CB VAL A 66 55.772 -13.325 -3.542 1.00 0.00 C ATOM 1062 CG1 VAL A 66 55.580 -13.194 -5.053 1.00 0.00 C ATOM 1063 CG2 VAL A 66 54.823 -12.351 -2.836 1.00 0.00 C ATOM 0 H VAL A 66 56.490 -14.944 -1.239 1.00 0.00 H new ATOM 0 HA VAL A 66 54.484 -15.087 -3.385 1.00 0.00 H new ATOM 0 HB VAL A 66 56.807 -13.090 -3.292 1.00 0.00 H new ATOM 0 HG11 VAL A 66 55.794 -12.170 -5.360 1.00 0.00 H new ATOM 0 HG12 VAL A 66 56.258 -13.876 -5.566 1.00 0.00 H new ATOM 0 HG13 VAL A 66 54.551 -13.442 -5.312 1.00 0.00 H new ATOM 0 HG21 VAL A 66 55.034 -11.334 -3.166 1.00 0.00 H new ATOM 0 HG22 VAL A 66 53.792 -12.605 -3.081 1.00 0.00 H new ATOM 0 HG23 VAL A 66 54.967 -12.420 -1.758 1.00 0.00 H new ATOM 1073 N PRO A 67 56.168 -16.424 -4.792 1.00 0.00 N ATOM 1074 CA PRO A 67 57.148 -17.331 -5.469 1.00 0.00 C ATOM 1075 C PRO A 67 58.471 -16.625 -5.788 1.00 0.00 C ATOM 1076 O PRO A 67 58.494 -15.448 -6.146 1.00 0.00 O ATOM 1077 CB PRO A 67 56.435 -17.753 -6.765 1.00 0.00 C ATOM 1078 CG PRO A 67 54.975 -17.606 -6.481 1.00 0.00 C ATOM 1079 CD PRO A 67 54.840 -16.474 -5.457 1.00 0.00 C ATOM 0 HA PRO A 67 57.419 -18.173 -4.833 1.00 0.00 H new ATOM 0 HB2 PRO A 67 56.738 -17.124 -7.602 1.00 0.00 H new ATOM 0 HB3 PRO A 67 56.682 -18.780 -7.032 1.00 0.00 H new ATOM 0 HG2 PRO A 67 54.425 -17.372 -7.392 1.00 0.00 H new ATOM 0 HG3 PRO A 67 54.561 -18.535 -6.089 1.00 0.00 H new ATOM 0 HD2 PRO A 67 54.600 -15.527 -5.940 1.00 0.00 H new ATOM 0 HD3 PRO A 67 54.044 -16.677 -4.741 1.00 0.00 H new ATOM 1087 N VAL A 68 59.569 -17.362 -5.641 1.00 0.00 N ATOM 1088 CA VAL A 68 60.901 -16.819 -5.903 1.00 0.00 C ATOM 1089 C VAL A 68 61.027 -16.368 -7.356 1.00 0.00 C ATOM 1090 O VAL A 68 60.637 -17.088 -8.275 1.00 0.00 O ATOM 1091 CB VAL A 68 61.955 -17.895 -5.599 1.00 0.00 C ATOM 1092 CG1 VAL A 68 61.618 -19.178 -6.362 1.00 0.00 C ATOM 1093 CG2 VAL A 68 63.349 -17.417 -6.027 1.00 0.00 C ATOM 0 H VAL A 68 59.564 -18.337 -5.342 1.00 0.00 H new ATOM 0 HA VAL A 68 61.060 -15.952 -5.261 1.00 0.00 H new ATOM 0 HB VAL A 68 61.953 -18.086 -4.526 1.00 0.00 H new ATOM 0 HG11 VAL A 68 62.368 -19.939 -6.144 1.00 0.00 H new ATOM 0 HG12 VAL A 68 60.636 -19.537 -6.054 1.00 0.00 H new ATOM 0 HG13 VAL A 68 61.610 -18.973 -7.433 1.00 0.00 H new ATOM 0 HG21 VAL A 68 64.083 -18.191 -5.804 1.00 0.00 H new ATOM 0 HG22 VAL A 68 63.351 -17.212 -7.098 1.00 0.00 H new ATOM 0 HG23 VAL A 68 63.605 -16.507 -5.483 1.00 0.00 H new ATOM 1103 N GLY A 69 61.582 -15.166 -7.550 1.00 0.00 N ATOM 1104 CA GLY A 69 61.771 -14.611 -8.896 1.00 0.00 C ATOM 1105 C GLY A 69 61.155 -13.217 -9.017 1.00 0.00 C ATOM 1106 O GLY A 69 60.377 -12.962 -9.935 1.00 0.00 O ATOM 0 H GLY A 69 61.907 -14.561 -6.796 1.00 0.00 H new ATOM 0 HA2 GLY A 69 62.836 -14.561 -9.124 1.00 0.00 H new ATOM 0 HA3 GLY A 69 61.318 -15.275 -9.632 1.00 0.00 H new ATOM 1110 N SER A 70 61.497 -12.309 -8.095 1.00 0.00 N ATOM 1111 CA SER A 70 60.943 -10.951 -8.146 1.00 0.00 C ATOM 1112 C SER A 70 61.882 -9.937 -7.496 1.00 0.00 C ATOM 1113 O SER A 70 62.739 -10.293 -6.685 1.00 0.00 O ATOM 1114 CB SER A 70 59.596 -10.907 -7.432 1.00 0.00 C ATOM 1115 OG SER A 70 58.769 -11.960 -7.911 1.00 0.00 O ATOM 0 H SER A 70 62.139 -12.483 -7.322 1.00 0.00 H new ATOM 0 HA SER A 70 60.819 -10.688 -9.197 1.00 0.00 H new ATOM 0 HB2 SER A 70 59.740 -11.004 -6.356 1.00 0.00 H new ATOM 0 HB3 SER A 70 59.113 -9.945 -7.603 1.00 0.00 H new ATOM 0 HG SER A 70 57.904 -11.932 -7.451 1.00 0.00 H new ATOM 1121 N THR A 71 61.700 -8.663 -7.851 1.00 0.00 N ATOM 1122 CA THR A 71 62.523 -7.589 -7.292 1.00 0.00 C ATOM 1123 C THR A 71 61.899 -7.078 -5.998 1.00 0.00 C ATOM 1124 O THR A 71 60.970 -6.270 -6.022 1.00 0.00 O ATOM 1125 CB THR A 71 62.635 -6.442 -8.303 1.00 0.00 C ATOM 1126 OG1 THR A 71 63.465 -6.839 -9.387 1.00 0.00 O ATOM 1127 CG2 THR A 71 63.229 -5.196 -7.638 1.00 0.00 C ATOM 0 H THR A 71 60.995 -8.351 -8.519 1.00 0.00 H new ATOM 0 HA THR A 71 63.519 -7.977 -7.078 1.00 0.00 H new ATOM 0 HB THR A 71 61.637 -6.204 -8.671 1.00 0.00 H new ATOM 0 HG1 THR A 71 63.534 -6.105 -10.032 1.00 0.00 H new ATOM 0 HG21 THR A 71 63.301 -4.392 -8.370 1.00 0.00 H new ATOM 0 HG22 THR A 71 62.586 -4.881 -6.816 1.00 0.00 H new ATOM 0 HG23 THR A 71 64.223 -5.427 -7.254 1.00 0.00 H new ATOM 1135 N LEU A 72 62.405 -7.566 -4.876 1.00 0.00 N ATOM 1136 CA LEU A 72 61.885 -7.165 -3.578 1.00 0.00 C ATOM 1137 C LEU A 72 62.137 -5.680 -3.303 1.00 0.00 C ATOM 1138 O LEU A 72 61.275 -4.994 -2.754 1.00 0.00 O ATOM 1139 CB LEU A 72 62.541 -8.022 -2.486 1.00 0.00 C ATOM 1140 CG LEU A 72 61.891 -9.418 -2.438 1.00 0.00 C ATOM 1141 CD1 LEU A 72 60.485 -9.349 -1.822 1.00 0.00 C ATOM 1142 CD2 LEU A 72 61.798 -10.006 -3.856 1.00 0.00 C ATOM 0 H LEU A 72 63.172 -8.237 -4.838 1.00 0.00 H new ATOM 0 HA LEU A 72 60.806 -7.320 -3.576 1.00 0.00 H new ATOM 0 HB2 LEU A 72 63.609 -8.117 -2.682 1.00 0.00 H new ATOM 0 HB3 LEU A 72 62.437 -7.532 -1.518 1.00 0.00 H new ATOM 0 HG LEU A 72 62.515 -10.059 -1.815 1.00 0.00 H new ATOM 0 HD11 LEU A 72 60.048 -10.347 -1.800 1.00 0.00 H new ATOM 0 HD12 LEU A 72 60.552 -8.959 -0.806 1.00 0.00 H new ATOM 0 HD13 LEU A 72 59.857 -8.691 -2.422 1.00 0.00 H new ATOM 0 HD21 LEU A 72 61.337 -10.993 -3.811 1.00 0.00 H new ATOM 0 HD22 LEU A 72 61.193 -9.351 -4.483 1.00 0.00 H new ATOM 0 HD23 LEU A 72 62.798 -10.092 -4.281 1.00 0.00 H new ATOM 1154 N LEU A 73 63.329 -5.195 -3.651 1.00 0.00 N ATOM 1155 CA LEU A 73 63.679 -3.794 -3.401 1.00 0.00 C ATOM 1156 C LEU A 73 64.593 -3.283 -4.519 1.00 0.00 C ATOM 1157 O LEU A 73 65.383 -4.047 -5.075 1.00 0.00 O ATOM 1158 CB LEU A 73 64.396 -3.702 -2.033 1.00 0.00 C ATOM 1159 CG LEU A 73 64.155 -2.347 -1.351 1.00 0.00 C ATOM 1160 CD1 LEU A 73 64.837 -2.368 0.025 1.00 0.00 C ATOM 1161 CD2 LEU A 73 64.736 -1.193 -2.196 1.00 0.00 C ATOM 0 H LEU A 73 64.062 -5.743 -4.102 1.00 0.00 H new ATOM 0 HA LEU A 73 62.780 -3.178 -3.383 1.00 0.00 H new ATOM 0 HB2 LEU A 73 64.043 -4.503 -1.384 1.00 0.00 H new ATOM 0 HB3 LEU A 73 65.466 -3.853 -2.173 1.00 0.00 H new ATOM 0 HG LEU A 73 63.082 -2.184 -1.246 1.00 0.00 H new ATOM 0 HD11 LEU A 73 64.677 -1.413 0.525 1.00 0.00 H new ATOM 0 HD12 LEU A 73 64.413 -3.170 0.629 1.00 0.00 H new ATOM 0 HD13 LEU A 73 65.906 -2.536 -0.102 1.00 0.00 H new ATOM 0 HD21 LEU A 73 64.552 -0.244 -1.692 1.00 0.00 H new ATOM 0 HD22 LEU A 73 65.809 -1.337 -2.319 1.00 0.00 H new ATOM 0 HD23 LEU A 73 64.257 -1.182 -3.175 1.00 0.00 H new ATOM 1173 N GLN A 74 64.500 -1.991 -4.836 1.00 0.00 N ATOM 1174 CA GLN A 74 65.354 -1.393 -5.881 1.00 0.00 C ATOM 1175 C GLN A 74 66.468 -0.590 -5.202 1.00 0.00 C ATOM 1176 O GLN A 74 66.201 0.232 -4.326 1.00 0.00 O ATOM 1177 CB GLN A 74 64.516 -0.480 -6.802 1.00 0.00 C ATOM 1178 CG GLN A 74 63.881 -1.297 -7.944 1.00 0.00 C ATOM 1179 CD GLN A 74 62.995 -0.394 -8.798 1.00 0.00 C ATOM 1180 OE1 GLN A 74 62.927 0.812 -8.566 1.00 0.00 O ATOM 1181 NE2 GLN A 74 62.310 -0.918 -9.777 1.00 0.00 N ATOM 0 H GLN A 74 63.852 -1.339 -4.394 1.00 0.00 H new ATOM 0 HA GLN A 74 65.791 -2.180 -6.496 1.00 0.00 H new ATOM 0 HB2 GLN A 74 63.735 0.012 -6.222 1.00 0.00 H new ATOM 0 HB3 GLN A 74 65.148 0.305 -7.217 1.00 0.00 H new ATOM 0 HG2 GLN A 74 64.661 -1.744 -8.560 1.00 0.00 H new ATOM 0 HG3 GLN A 74 63.291 -2.116 -7.533 1.00 0.00 H new ATOM 0 HE21 GLN A 74 62.371 -1.919 -9.964 1.00 0.00 H new ATOM 0 HE22 GLN A 74 61.713 -0.327 -10.356 1.00 0.00 H new ATOM 1190 N ILE A 75 67.725 -0.868 -5.574 1.00 0.00 N ATOM 1191 CA ILE A 75 68.877 -0.197 -4.954 1.00 0.00 C ATOM 1192 C ILE A 75 69.781 0.446 -6.000 1.00 0.00 C ATOM 1193 O ILE A 75 70.228 -0.208 -6.943 1.00 0.00 O ATOM 1194 CB ILE A 75 69.678 -1.243 -4.166 1.00 0.00 C ATOM 1195 CG1 ILE A 75 68.813 -1.831 -3.028 1.00 0.00 C ATOM 1196 CG2 ILE A 75 70.946 -0.615 -3.568 1.00 0.00 C ATOM 1197 CD1 ILE A 75 69.289 -3.248 -2.677 1.00 0.00 C ATOM 0 H ILE A 75 67.970 -1.547 -6.295 1.00 0.00 H new ATOM 0 HA ILE A 75 68.512 0.593 -4.298 1.00 0.00 H new ATOM 0 HB ILE A 75 69.965 -2.039 -4.853 1.00 0.00 H new ATOM 0 HG12 ILE A 75 68.873 -1.191 -2.148 1.00 0.00 H new ATOM 0 HG13 ILE A 75 67.767 -1.856 -3.333 1.00 0.00 H new ATOM 0 HG21 ILE A 75 71.500 -1.372 -3.013 1.00 0.00 H new ATOM 0 HG22 ILE A 75 71.571 -0.223 -4.370 1.00 0.00 H new ATOM 0 HG23 ILE A 75 70.668 0.196 -2.895 1.00 0.00 H new ATOM 0 HD11 ILE A 75 68.672 -3.651 -1.874 1.00 0.00 H new ATOM 0 HD12 ILE A 75 69.205 -3.888 -3.555 1.00 0.00 H new ATOM 0 HD13 ILE A 75 70.329 -3.212 -2.352 1.00 0.00 H new ATOM 1209 N ASP A 76 70.069 1.731 -5.798 1.00 0.00 N ATOM 1210 CA ASP A 76 70.953 2.481 -6.697 1.00 0.00 C ATOM 1211 C ASP A 76 72.337 2.617 -6.072 1.00 0.00 C ATOM 1212 O ASP A 76 72.498 3.275 -5.043 1.00 0.00 O ATOM 1213 CB ASP A 76 70.386 3.874 -6.974 1.00 0.00 C ATOM 1214 CG ASP A 76 71.173 4.535 -8.101 1.00 0.00 C ATOM 1215 OD1 ASP A 76 72.179 3.971 -8.503 1.00 0.00 O ATOM 1216 OD2 ASP A 76 70.761 5.594 -8.544 1.00 0.00 O ATOM 0 H ASP A 76 69.703 2.278 -5.019 1.00 0.00 H new ATOM 0 HA ASP A 76 71.026 1.935 -7.637 1.00 0.00 H new ATOM 0 HB2 ASP A 76 69.333 3.801 -7.247 1.00 0.00 H new ATOM 0 HB3 ASP A 76 70.440 4.485 -6.073 1.00 0.00 H new ATOM 1221 N THR A 77 73.333 1.993 -6.690 1.00 0.00 N ATOM 1222 CA THR A 77 74.694 2.057 -6.176 1.00 0.00 C ATOM 1223 C THR A 77 75.220 3.488 -6.240 1.00 0.00 C ATOM 1224 O THR A 77 75.439 3.967 -7.340 1.00 0.00 O ATOM 1225 CB THR A 77 75.603 1.131 -6.997 1.00 0.00 C ATOM 1226 OG1 THR A 77 74.905 -0.071 -7.294 1.00 0.00 O ATOM 1227 CG2 THR A 77 76.870 0.800 -6.204 1.00 0.00 C ATOM 1228 OXT THR A 77 75.389 4.085 -5.190 1.00 0.00 O ATOM 0 H THR A 77 73.225 1.441 -7.541 1.00 0.00 H new ATOM 0 HA THR A 77 74.692 1.732 -5.136 1.00 0.00 H new ATOM 0 HB THR A 77 75.883 1.634 -7.922 1.00 0.00 H new ATOM 0 HG1 THR A 77 75.482 -0.663 -7.820 1.00 0.00 H new ATOM 0 HG21 THR A 77 77.508 0.143 -6.795 1.00 0.00 H new ATOM 0 HG22 THR A 77 77.408 1.720 -5.977 1.00 0.00 H new ATOM 0 HG23 THR A 77 76.597 0.301 -5.274 1.00 0.00 H new TER 1236 THR A 77