USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 600 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 21 THR OG1 : rot 180:sc=-0.00137 USER MOD Set 1.2: A 49 MET CE :methyl -108:sc= -0.0511 (180deg=0) USER MOD Set 2.1: A 6 THR OG1 : rot 170:sc= -0.603 USER MOD Set 2.2: A 70 GLN : amide:sc= -3.18! C(o=-3.8!,f=-0.66!) USER MOD Single : A 3 GLN : amide:sc= -5.79! K(o=-5.8!,f=-0.61) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 163:sc= -0.106 (180deg=-0.551) USER MOD Single : A 20 GLN : amide:sc= -0.662 K(o=-0.66,f=-2.1) USER MOD Single : A 22 CYS SG : rot 136:sc= 0.161 USER MOD Single : A 25 HIS : no HE2:sc= -2.09! C(o=-2.1!,f=-4.6!) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 GLN : amide:sc= -2.5! K(o=-2.5!,f=-0.78) USER MOD Single : A 66 MET CE :methyl 169:sc= -0.718 (180deg=-1.1) USER MOD Single : A 67 SER OG : rot 180:sc= -0.103 USER MOD Single : A 73 LYS NZ :NH3+ -148:sc= -0.254 (180deg=-1.28!) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 126:sc= -1.19! USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 39:sc= 0.354 USER MOD Single : A 105 LYS NZ :NH3+ -166:sc= -2.93 (180deg=-3.35) USER MOD ----------------------------------------------------------------- ATOM 10 N VAL A 2 -52.239 -31.611 60.094 1.00 0.00 N ATOM 11 CA VAL A 2 -51.968 -32.621 61.173 1.00 0.00 C ATOM 12 C VAL A 2 -52.790 -33.859 60.830 1.00 0.00 C ATOM 13 O VAL A 2 -53.839 -33.754 60.225 1.00 0.00 O ATOM 14 CB VAL A 2 -52.414 -32.050 62.531 1.00 0.00 C ATOM 15 CG1 VAL A 2 -53.931 -31.756 62.528 1.00 0.00 C ATOM 16 CG2 VAL A 2 -52.110 -33.051 63.673 1.00 0.00 C ATOM 0 HA VAL A 2 -50.907 -32.864 61.237 1.00 0.00 H new ATOM 0 HB VAL A 2 -51.860 -31.126 62.695 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -54.225 -31.353 63.497 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -54.159 -31.029 61.748 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -54.480 -32.678 62.336 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -52.433 -32.627 64.624 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -52.644 -33.984 63.491 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -51.038 -33.248 63.709 1.00 0.00 H new ATOM 26 N GLN A 3 -52.313 -35.013 61.214 1.00 0.00 N ATOM 27 CA GLN A 3 -53.058 -36.283 60.919 1.00 0.00 C ATOM 28 C GLN A 3 -53.345 -36.982 62.243 1.00 0.00 C ATOM 29 O GLN A 3 -52.654 -36.773 63.220 1.00 0.00 O ATOM 30 CB GLN A 3 -52.184 -37.160 60.025 1.00 0.00 C ATOM 31 CG GLN A 3 -52.947 -38.439 59.674 1.00 0.00 C ATOM 32 CD GLN A 3 -52.088 -39.271 58.720 1.00 0.00 C ATOM 33 OE1 GLN A 3 -51.755 -38.844 57.632 1.00 0.00 O ATOM 34 NE2 GLN A 3 -51.707 -40.462 59.090 1.00 0.00 N ATOM 0 H GLN A 3 -51.437 -35.136 61.721 1.00 0.00 H new ATOM 0 HA GLN A 3 -53.999 -36.083 60.406 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -51.916 -36.621 59.116 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -51.253 -37.406 60.535 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -53.169 -39.007 60.577 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -53.902 -38.195 59.208 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -51.983 -40.826 60.002 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -51.132 -41.030 58.467 1.00 0.00 H new ATOM 43 N VAL A 4 -54.362 -37.804 62.248 1.00 0.00 N ATOM 44 CA VAL A 4 -54.754 -38.556 63.486 1.00 0.00 C ATOM 45 C VAL A 4 -54.801 -40.050 63.160 1.00 0.00 C ATOM 46 O VAL A 4 -55.574 -40.488 62.333 1.00 0.00 O ATOM 47 CB VAL A 4 -56.141 -38.119 63.942 1.00 0.00 C ATOM 48 CG1 VAL A 4 -56.475 -38.796 65.280 1.00 0.00 C ATOM 49 CG2 VAL A 4 -56.177 -36.602 64.095 1.00 0.00 C ATOM 0 H VAL A 4 -54.949 -37.991 61.435 1.00 0.00 H new ATOM 0 HA VAL A 4 -54.029 -38.355 64.274 1.00 0.00 H new ATOM 0 HB VAL A 4 -56.881 -38.415 63.199 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -57.467 -38.485 65.608 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -56.458 -39.879 65.154 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -55.738 -38.506 66.029 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -57.170 -36.293 64.421 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -55.439 -36.293 64.836 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -55.947 -36.134 63.138 1.00 0.00 H new ATOM 59 N GLU A 5 -53.967 -40.798 63.825 1.00 0.00 N ATOM 60 CA GLU A 5 -53.901 -42.281 63.617 1.00 0.00 C ATOM 61 C GLU A 5 -54.179 -42.901 64.986 1.00 0.00 C ATOM 62 O GLU A 5 -53.290 -43.066 65.798 1.00 0.00 O ATOM 63 CB GLU A 5 -52.502 -42.651 63.118 1.00 0.00 C ATOM 64 CG GLU A 5 -52.181 -41.932 61.792 1.00 0.00 C ATOM 65 CD GLU A 5 -53.108 -42.404 60.666 1.00 0.00 C ATOM 66 OE1 GLU A 5 -54.268 -42.031 60.705 1.00 0.00 O ATOM 67 OE2 GLU A 5 -52.591 -43.119 59.821 1.00 0.00 O ATOM 0 H GLU A 5 -53.312 -40.441 64.520 1.00 0.00 H new ATOM 0 HA GLU A 5 -54.619 -42.638 62.878 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -51.761 -42.382 63.870 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -52.436 -43.730 62.976 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -52.285 -40.855 61.925 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -51.144 -42.120 61.515 1.00 0.00 H new ATOM 74 N THR A 6 -55.424 -43.229 65.205 1.00 0.00 N ATOM 75 CA THR A 6 -55.810 -43.832 66.510 1.00 0.00 C ATOM 76 C THR A 6 -55.281 -45.254 66.715 1.00 0.00 C ATOM 77 O THR A 6 -54.975 -45.969 65.782 1.00 0.00 O ATOM 78 CB THR A 6 -57.343 -43.820 66.589 1.00 0.00 C ATOM 79 OG1 THR A 6 -57.679 -42.444 66.484 1.00 0.00 O ATOM 80 CG2 THR A 6 -57.854 -44.220 67.979 1.00 0.00 C ATOM 0 H THR A 6 -56.186 -43.106 64.539 1.00 0.00 H new ATOM 0 HA THR A 6 -55.357 -43.239 67.305 1.00 0.00 H new ATOM 0 HB THR A 6 -57.756 -44.494 65.838 1.00 0.00 H new ATOM 0 HG1 THR A 6 -58.647 -42.352 66.364 1.00 0.00 H new ATOM 0 HG21 THR A 6 -58.944 -44.197 67.987 1.00 0.00 H new ATOM 0 HG22 THR A 6 -57.511 -45.227 68.217 1.00 0.00 H new ATOM 0 HG23 THR A 6 -57.471 -43.521 68.722 1.00 0.00 H new ATOM 88 N ILE A 7 -55.197 -45.607 67.973 1.00 0.00 N ATOM 89 CA ILE A 7 -54.706 -46.954 68.404 1.00 0.00 C ATOM 90 C ILE A 7 -55.821 -47.597 69.229 1.00 0.00 C ATOM 91 O ILE A 7 -56.275 -48.686 68.939 1.00 0.00 O ATOM 92 CB ILE A 7 -53.446 -46.797 69.278 1.00 0.00 C ATOM 93 CG1 ILE A 7 -52.377 -46.061 68.440 1.00 0.00 C ATOM 94 CG2 ILE A 7 -52.943 -48.216 69.653 1.00 0.00 C ATOM 95 CD1 ILE A 7 -51.214 -45.584 69.328 1.00 0.00 C ATOM 0 H ILE A 7 -55.458 -44.995 68.746 1.00 0.00 H new ATOM 0 HA ILE A 7 -54.453 -47.568 67.539 1.00 0.00 H new ATOM 0 HB ILE A 7 -53.654 -46.232 70.186 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -51.998 -46.725 67.663 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -52.829 -45.207 67.936 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -52.050 -48.134 70.273 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -53.721 -48.744 70.205 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -52.704 -48.769 68.745 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -50.475 -45.069 68.714 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -51.593 -44.901 70.089 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -50.749 -46.443 69.811 1.00 0.00 H new ATOM 107 N SER A 8 -56.236 -46.890 70.250 1.00 0.00 N ATOM 108 CA SER A 8 -57.324 -47.391 71.159 1.00 0.00 C ATOM 109 C SER A 8 -58.519 -46.427 71.184 1.00 0.00 C ATOM 110 O SER A 8 -58.596 -45.592 72.063 1.00 0.00 O ATOM 111 CB SER A 8 -56.772 -47.533 72.574 1.00 0.00 C ATOM 112 OG SER A 8 -55.662 -48.405 72.416 1.00 0.00 O ATOM 0 H SER A 8 -55.864 -45.973 70.499 1.00 0.00 H new ATOM 0 HA SER A 8 -57.665 -48.355 70.782 1.00 0.00 H new ATOM 0 HB2 SER A 8 -56.469 -46.570 72.984 1.00 0.00 H new ATOM 0 HB3 SER A 8 -57.515 -47.950 73.254 1.00 0.00 H new ATOM 0 HG SER A 8 -55.237 -48.555 73.286 1.00 0.00 H new ATOM 118 N PRO A 9 -59.419 -46.544 70.237 1.00 0.00 N ATOM 119 CA PRO A 9 -60.644 -45.710 70.201 1.00 0.00 C ATOM 120 C PRO A 9 -61.175 -45.401 71.607 1.00 0.00 C ATOM 121 O PRO A 9 -60.861 -46.087 72.560 1.00 0.00 O ATOM 122 CB PRO A 9 -61.572 -46.532 69.319 1.00 0.00 C ATOM 123 CG PRO A 9 -60.575 -47.042 68.249 1.00 0.00 C ATOM 124 CD PRO A 9 -59.368 -47.499 69.096 1.00 0.00 C ATOM 0 HA PRO A 9 -60.500 -44.707 69.799 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -62.046 -47.348 69.865 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -62.372 -45.931 68.886 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -60.993 -47.862 67.665 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -60.301 -46.257 67.545 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -59.467 -48.534 69.424 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -58.431 -47.428 68.544 1.00 0.00 H new ATOM 132 N GLY A 10 -61.973 -44.369 71.702 1.00 0.00 N ATOM 133 CA GLY A 10 -62.569 -43.951 73.015 1.00 0.00 C ATOM 134 C GLY A 10 -64.087 -43.909 72.852 1.00 0.00 C ATOM 135 O GLY A 10 -64.620 -44.444 71.900 1.00 0.00 O ATOM 0 H GLY A 10 -62.244 -43.785 70.911 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -62.289 -44.653 73.801 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -62.190 -42.973 73.311 1.00 0.00 H new ATOM 139 N ASP A 11 -64.750 -43.278 73.781 1.00 0.00 N ATOM 140 CA ASP A 11 -66.232 -43.180 73.712 1.00 0.00 C ATOM 141 C ASP A 11 -66.734 -42.945 72.285 1.00 0.00 C ATOM 142 O ASP A 11 -67.370 -43.787 71.683 1.00 0.00 O ATOM 143 CB ASP A 11 -66.666 -42.030 74.622 1.00 0.00 C ATOM 144 CG ASP A 11 -65.691 -40.866 74.401 1.00 0.00 C ATOM 145 OD1 ASP A 11 -64.612 -40.964 74.961 1.00 0.00 O ATOM 146 OD2 ASP A 11 -66.068 -39.957 73.685 1.00 0.00 O ATOM 0 H ASP A 11 -64.325 -42.824 74.589 1.00 0.00 H new ATOM 0 HA ASP A 11 -66.665 -44.125 74.039 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -67.686 -41.723 74.391 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -66.656 -42.344 75.666 1.00 0.00 H new ATOM 151 N GLY A 12 -66.417 -41.779 71.788 1.00 0.00 N ATOM 152 CA GLY A 12 -66.826 -41.373 70.411 1.00 0.00 C ATOM 153 C GLY A 12 -67.978 -40.392 70.606 1.00 0.00 C ATOM 154 O GLY A 12 -68.689 -40.042 69.684 1.00 0.00 O ATOM 0 H GLY A 12 -65.879 -41.074 72.291 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -65.998 -40.907 69.876 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -67.139 -42.236 69.823 1.00 0.00 H new ATOM 158 N ARG A 13 -68.116 -39.978 71.840 1.00 0.00 N ATOM 159 CA ARG A 13 -69.187 -39.016 72.253 1.00 0.00 C ATOM 160 C ARG A 13 -68.615 -37.777 72.947 1.00 0.00 C ATOM 161 O ARG A 13 -69.013 -36.670 72.639 1.00 0.00 O ATOM 162 CB ARG A 13 -70.145 -39.742 73.196 1.00 0.00 C ATOM 163 CG ARG A 13 -70.774 -40.909 72.432 1.00 0.00 C ATOM 164 CD ARG A 13 -71.711 -41.666 73.375 1.00 0.00 C ATOM 165 NE ARG A 13 -70.888 -42.198 74.511 1.00 0.00 N ATOM 166 CZ ARG A 13 -71.129 -41.854 75.750 1.00 0.00 C ATOM 167 NH1 ARG A 13 -71.278 -40.589 76.037 1.00 0.00 N ATOM 168 NH2 ARG A 13 -71.213 -42.788 76.659 1.00 0.00 N ATOM 0 H ARG A 13 -67.510 -40.277 72.604 1.00 0.00 H new ATOM 0 HA ARG A 13 -69.706 -38.669 71.359 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -69.611 -40.106 74.074 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -70.917 -39.060 73.552 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -71.326 -40.541 71.567 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -69.998 -41.576 72.055 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -72.494 -41.005 73.747 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -72.206 -42.481 72.848 1.00 0.00 H new ATOM 0 HE ARG A 13 -70.123 -42.843 74.313 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -71.206 -39.887 75.300 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -71.466 -40.303 76.998 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -71.091 -43.766 76.398 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -71.400 -42.539 77.630 1.00 0.00 H new ATOM 182 N THR A 14 -67.696 -37.952 73.869 1.00 0.00 N ATOM 183 CA THR A 14 -67.108 -36.764 74.581 1.00 0.00 C ATOM 184 C THR A 14 -65.714 -36.393 74.084 1.00 0.00 C ATOM 185 O THR A 14 -64.830 -37.221 73.996 1.00 0.00 O ATOM 186 CB THR A 14 -67.003 -37.075 76.055 1.00 0.00 C ATOM 187 OG1 THR A 14 -68.312 -37.470 76.439 1.00 0.00 O ATOM 188 CG2 THR A 14 -66.731 -35.807 76.874 1.00 0.00 C ATOM 0 H THR A 14 -67.328 -38.858 74.160 1.00 0.00 H new ATOM 0 HA THR A 14 -67.771 -35.922 74.383 1.00 0.00 H new ATOM 0 HB THR A 14 -66.213 -37.807 76.222 1.00 0.00 H new ATOM 0 HG1 THR A 14 -68.320 -37.691 77.394 1.00 0.00 H new ATOM 0 HG21 THR A 14 -66.661 -36.065 77.931 1.00 0.00 H new ATOM 0 HG22 THR A 14 -65.794 -35.357 76.547 1.00 0.00 H new ATOM 0 HG23 THR A 14 -67.545 -35.097 76.727 1.00 0.00 H new ATOM 196 N PHE A 15 -65.561 -35.130 73.769 1.00 0.00 N ATOM 197 CA PHE A 15 -64.261 -34.576 73.270 1.00 0.00 C ATOM 198 C PHE A 15 -63.945 -33.343 74.130 1.00 0.00 C ATOM 199 O PHE A 15 -64.783 -32.954 74.917 1.00 0.00 O ATOM 200 CB PHE A 15 -64.409 -34.157 71.814 1.00 0.00 C ATOM 201 CG PHE A 15 -64.748 -35.379 70.957 1.00 0.00 C ATOM 202 CD1 PHE A 15 -65.994 -35.968 71.039 1.00 0.00 C ATOM 203 CD2 PHE A 15 -63.807 -35.902 70.091 1.00 0.00 C ATOM 204 CE1 PHE A 15 -66.297 -37.068 70.262 1.00 0.00 C ATOM 205 CE2 PHE A 15 -64.108 -37.000 69.312 1.00 0.00 C ATOM 206 CZ PHE A 15 -65.354 -37.584 69.398 1.00 0.00 C ATOM 0 H PHE A 15 -66.307 -34.438 73.839 1.00 0.00 H new ATOM 0 HA PHE A 15 -63.466 -35.318 73.337 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -65.193 -33.406 71.720 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -63.485 -33.699 71.462 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -66.735 -35.566 71.714 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -62.829 -35.448 70.023 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -67.273 -37.525 70.331 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -63.368 -37.402 68.635 1.00 0.00 H new ATOM 0 HZ PHE A 15 -65.591 -38.444 68.790 1.00 0.00 H new ATOM 216 N PRO A 16 -62.788 -32.738 73.999 1.00 0.00 N ATOM 217 CA PRO A 16 -62.578 -31.387 74.580 1.00 0.00 C ATOM 218 C PRO A 16 -63.406 -30.307 73.877 1.00 0.00 C ATOM 219 O PRO A 16 -63.428 -30.224 72.664 1.00 0.00 O ATOM 220 CB PRO A 16 -61.064 -31.140 74.455 1.00 0.00 C ATOM 221 CG PRO A 16 -60.484 -32.557 74.241 1.00 0.00 C ATOM 222 CD PRO A 16 -61.541 -33.241 73.349 1.00 0.00 C ATOM 0 HA PRO A 16 -62.914 -31.338 75.616 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -60.833 -30.481 73.618 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -60.658 -30.671 75.352 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -59.509 -32.524 73.756 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -60.352 -33.085 75.186 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -61.464 -32.939 72.304 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -61.467 -34.328 73.373 1.00 0.00 H new ATOM 230 N LYS A 17 -64.071 -29.499 74.664 1.00 0.00 N ATOM 231 CA LYS A 17 -64.913 -28.400 74.139 1.00 0.00 C ATOM 232 C LYS A 17 -64.374 -27.080 74.692 1.00 0.00 C ATOM 233 O LYS A 17 -63.602 -27.043 75.633 1.00 0.00 O ATOM 234 CB LYS A 17 -66.303 -28.615 74.620 1.00 0.00 C ATOM 235 CG LYS A 17 -66.826 -29.960 74.094 1.00 0.00 C ATOM 236 CD LYS A 17 -68.185 -30.308 74.736 1.00 0.00 C ATOM 237 CE LYS A 17 -69.255 -29.271 74.363 1.00 0.00 C ATOM 238 NZ LYS A 17 -69.333 -29.124 72.882 1.00 0.00 N ATOM 0 H LYS A 17 -64.059 -29.565 75.682 1.00 0.00 H new ATOM 0 HA LYS A 17 -64.898 -28.375 73.049 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -66.328 -28.604 75.710 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -66.947 -27.804 74.279 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -66.932 -29.916 73.010 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -66.104 -30.747 74.312 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -68.503 -31.297 74.407 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -68.078 -30.351 75.820 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -70.224 -29.579 74.757 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -69.016 -28.310 74.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -70.226 -28.657 72.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -68.533 -28.549 72.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -69.294 -30.063 72.437 1.00 0.00 H new ATOM 252 N ARG A 18 -64.811 -26.013 74.089 1.00 0.00 N ATOM 253 CA ARG A 18 -64.353 -24.690 74.544 1.00 0.00 C ATOM 254 C ARG A 18 -64.896 -24.462 75.948 1.00 0.00 C ATOM 255 O ARG A 18 -66.053 -24.713 76.218 1.00 0.00 O ATOM 256 CB ARG A 18 -64.874 -23.624 73.566 1.00 0.00 C ATOM 257 CG ARG A 18 -66.404 -23.665 73.508 1.00 0.00 C ATOM 258 CD ARG A 18 -66.869 -22.688 72.425 1.00 0.00 C ATOM 259 NE ARG A 18 -66.361 -21.323 72.784 1.00 0.00 N ATOM 260 CZ ARG A 18 -65.554 -20.665 71.991 1.00 0.00 C ATOM 261 NH1 ARG A 18 -65.818 -20.627 70.714 1.00 0.00 N ATOM 262 NH2 ARG A 18 -64.513 -20.068 72.504 1.00 0.00 N ATOM 0 H ARG A 18 -65.463 -26.007 73.304 1.00 0.00 H new ATOM 0 HA ARG A 18 -63.265 -24.630 74.569 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -64.541 -22.636 73.882 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -64.460 -23.797 72.573 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -66.749 -24.674 73.283 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -66.828 -23.391 74.474 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -66.489 -22.992 71.449 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -67.957 -22.684 72.357 1.00 0.00 H new ATOM 0 HE ARG A 18 -66.651 -20.898 73.665 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -66.642 -21.105 70.349 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -65.201 -20.119 70.080 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -64.339 -20.119 73.508 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -63.873 -19.551 71.901 1.00 0.00 H new ATOM 276 N GLY A 19 -64.053 -23.992 76.830 1.00 0.00 N ATOM 277 CA GLY A 19 -64.500 -23.740 78.237 1.00 0.00 C ATOM 278 C GLY A 19 -63.809 -24.708 79.198 1.00 0.00 C ATOM 279 O GLY A 19 -63.653 -24.403 80.364 1.00 0.00 O ATOM 0 H GLY A 19 -63.076 -23.771 76.640 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -64.271 -22.712 78.519 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -65.581 -23.857 78.308 1.00 0.00 H new ATOM 283 N GLN A 20 -63.401 -25.859 78.713 1.00 0.00 N ATOM 284 CA GLN A 20 -62.718 -26.854 79.617 1.00 0.00 C ATOM 285 C GLN A 20 -61.211 -26.958 79.362 1.00 0.00 C ATOM 286 O GLN A 20 -60.680 -26.388 78.429 1.00 0.00 O ATOM 287 CB GLN A 20 -63.338 -28.230 79.402 1.00 0.00 C ATOM 288 CG GLN A 20 -64.840 -28.164 79.681 1.00 0.00 C ATOM 289 CD GLN A 20 -65.425 -29.566 79.497 1.00 0.00 C ATOM 290 OE1 GLN A 20 -65.077 -30.493 80.201 1.00 0.00 O ATOM 291 NE2 GLN A 20 -66.315 -29.764 78.564 1.00 0.00 N ATOM 0 H GLN A 20 -63.508 -26.154 77.742 1.00 0.00 H new ATOM 0 HA GLN A 20 -62.858 -26.504 80.640 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -63.162 -28.564 78.379 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -62.867 -28.959 80.061 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -65.023 -27.806 80.694 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -65.322 -27.460 79.003 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -66.612 -28.990 77.970 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -66.714 -30.693 78.429 1.00 0.00 H new ATOM 300 N THR A 21 -60.571 -27.704 80.225 1.00 0.00 N ATOM 301 CA THR A 21 -59.093 -27.930 80.151 1.00 0.00 C ATOM 302 C THR A 21 -58.810 -29.407 79.871 1.00 0.00 C ATOM 303 O THR A 21 -59.196 -30.272 80.633 1.00 0.00 O ATOM 304 CB THR A 21 -58.490 -27.499 81.488 1.00 0.00 C ATOM 305 OG1 THR A 21 -58.547 -26.081 81.455 1.00 0.00 O ATOM 306 CG2 THR A 21 -57.001 -27.850 81.597 1.00 0.00 C ATOM 0 H THR A 21 -61.026 -28.182 81.003 1.00 0.00 H new ATOM 0 HA THR A 21 -58.648 -27.349 79.343 1.00 0.00 H new ATOM 0 HB THR A 21 -59.022 -27.983 82.307 1.00 0.00 H new ATOM 0 HG1 THR A 21 -58.176 -25.719 82.287 1.00 0.00 H new ATOM 0 HG21 THR A 21 -56.620 -27.523 82.565 1.00 0.00 H new ATOM 0 HG22 THR A 21 -56.873 -28.928 81.502 1.00 0.00 H new ATOM 0 HG23 THR A 21 -56.450 -27.348 80.802 1.00 0.00 H new ATOM 314 N CYS A 22 -58.129 -29.649 78.781 1.00 0.00 N ATOM 315 CA CYS A 22 -57.798 -31.054 78.411 1.00 0.00 C ATOM 316 C CYS A 22 -56.783 -31.531 79.439 1.00 0.00 C ATOM 317 O CYS A 22 -56.052 -30.745 80.003 1.00 0.00 O ATOM 318 CB CYS A 22 -57.178 -31.068 77.014 1.00 0.00 C ATOM 319 SG CYS A 22 -58.061 -30.180 75.710 1.00 0.00 S ATOM 0 H CYS A 22 -57.790 -28.937 78.135 1.00 0.00 H new ATOM 0 HA CYS A 22 -58.679 -31.696 78.401 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -56.173 -30.651 77.086 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -57.071 -32.107 76.702 1.00 0.00 H new ATOM 0 HG CYS A 22 -57.215 -29.484 75.010 1.00 0.00 H new ATOM 325 N VAL A 23 -56.783 -32.815 79.648 1.00 0.00 N ATOM 326 CA VAL A 23 -55.857 -33.471 80.616 1.00 0.00 C ATOM 327 C VAL A 23 -55.276 -34.594 79.776 1.00 0.00 C ATOM 328 O VAL A 23 -55.934 -35.594 79.552 1.00 0.00 O ATOM 329 CB VAL A 23 -56.694 -33.962 81.789 1.00 0.00 C ATOM 330 CG1 VAL A 23 -55.817 -34.717 82.777 1.00 0.00 C ATOM 331 CG2 VAL A 23 -57.240 -32.708 82.476 1.00 0.00 C ATOM 0 H VAL A 23 -57.410 -33.463 79.170 1.00 0.00 H new ATOM 0 HA VAL A 23 -55.071 -32.850 81.047 1.00 0.00 H new ATOM 0 HB VAL A 23 -57.488 -34.628 81.451 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -56.425 -35.064 83.612 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -55.362 -35.573 82.279 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -55.034 -34.055 83.148 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -57.852 -32.998 83.330 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -56.410 -32.090 82.818 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -57.848 -32.142 81.770 1.00 0.00 H new ATOM 341 N VAL A 24 -54.059 -34.387 79.325 1.00 0.00 N ATOM 342 CA VAL A 24 -53.343 -35.393 78.462 1.00 0.00 C ATOM 343 C VAL A 24 -52.004 -35.948 78.999 1.00 0.00 C ATOM 344 O VAL A 24 -51.301 -35.307 79.755 1.00 0.00 O ATOM 345 CB VAL A 24 -53.059 -34.725 77.087 1.00 0.00 C ATOM 346 CG1 VAL A 24 -54.313 -34.025 76.586 1.00 0.00 C ATOM 347 CG2 VAL A 24 -51.983 -33.581 77.158 1.00 0.00 C ATOM 0 H VAL A 24 -53.518 -33.545 79.522 1.00 0.00 H new ATOM 0 HA VAL A 24 -54.011 -36.253 78.420 1.00 0.00 H new ATOM 0 HB VAL A 24 -52.714 -35.536 76.445 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -54.109 -33.558 75.622 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -55.116 -34.753 76.474 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -54.614 -33.261 77.303 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -51.834 -33.159 76.164 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -52.327 -32.800 77.836 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -51.041 -33.990 77.523 1.00 0.00 H new ATOM 357 N HIS A 25 -51.715 -37.151 78.563 1.00 0.00 N ATOM 358 CA HIS A 25 -50.452 -37.880 78.939 1.00 0.00 C ATOM 359 C HIS A 25 -49.897 -38.316 77.585 1.00 0.00 C ATOM 360 O HIS A 25 -50.488 -39.127 76.899 1.00 0.00 O ATOM 361 CB HIS A 25 -50.736 -39.128 79.818 1.00 0.00 C ATOM 362 CG HIS A 25 -49.537 -40.088 79.803 1.00 0.00 C ATOM 363 ND1 HIS A 25 -49.048 -40.649 78.746 1.00 0.00 N ATOM 364 CD2 HIS A 25 -48.744 -40.556 80.836 1.00 0.00 C ATOM 365 CE1 HIS A 25 -48.044 -41.398 79.075 1.00 0.00 C ATOM 366 NE2 HIS A 25 -47.820 -41.370 80.366 1.00 0.00 N ATOM 0 H HIS A 25 -52.324 -37.680 77.938 1.00 0.00 H new ATOM 0 HA HIS A 25 -49.776 -37.258 79.525 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -50.947 -38.818 80.841 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -51.624 -39.642 79.452 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -49.399 -40.521 77.797 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -48.865 -40.292 81.876 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -47.462 -41.975 78.371 1.00 0.00 H new ATOM 374 N TYR A 26 -48.770 -37.764 77.227 1.00 0.00 N ATOM 375 CA TYR A 26 -48.119 -38.096 75.916 1.00 0.00 C ATOM 376 C TYR A 26 -46.626 -38.412 76.019 1.00 0.00 C ATOM 377 O TYR A 26 -46.002 -38.326 77.058 1.00 0.00 O ATOM 378 CB TYR A 26 -48.313 -36.902 75.018 1.00 0.00 C ATOM 379 CG TYR A 26 -47.623 -35.747 75.747 1.00 0.00 C ATOM 380 CD1 TYR A 26 -48.263 -35.113 76.791 1.00 0.00 C ATOM 381 CD2 TYR A 26 -46.348 -35.344 75.394 1.00 0.00 C ATOM 382 CE1 TYR A 26 -47.632 -34.097 77.463 1.00 0.00 C ATOM 383 CE2 TYR A 26 -45.725 -34.321 76.080 1.00 0.00 C ATOM 384 CZ TYR A 26 -46.364 -33.691 77.120 1.00 0.00 C ATOM 385 OH TYR A 26 -45.747 -32.667 77.809 1.00 0.00 O ATOM 0 H TYR A 26 -48.261 -37.085 77.793 1.00 0.00 H new ATOM 0 HA TYR A 26 -48.584 -39.003 75.529 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -47.871 -37.070 74.036 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -49.371 -36.694 74.860 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -49.259 -35.416 77.079 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -45.837 -35.832 74.577 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -48.142 -33.606 78.279 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -44.729 -34.014 75.797 1.00 0.00 H new ATOM 0 HH TYR A 26 -44.855 -32.512 77.434 1.00 0.00 H new ATOM 395 N THR A 27 -46.125 -38.776 74.874 1.00 0.00 N ATOM 396 CA THR A 27 -44.694 -39.119 74.699 1.00 0.00 C ATOM 397 C THR A 27 -44.363 -38.417 73.378 1.00 0.00 C ATOM 398 O THR A 27 -44.942 -38.739 72.355 1.00 0.00 O ATOM 399 CB THR A 27 -44.537 -40.619 74.572 1.00 0.00 C ATOM 400 OG1 THR A 27 -45.054 -41.137 75.789 1.00 0.00 O ATOM 401 CG2 THR A 27 -43.059 -41.015 74.583 1.00 0.00 C ATOM 0 H THR A 27 -46.676 -38.852 74.019 1.00 0.00 H new ATOM 0 HA THR A 27 -44.050 -38.818 75.525 1.00 0.00 H new ATOM 0 HB THR A 27 -45.017 -40.973 73.659 1.00 0.00 H new ATOM 0 HG1 THR A 27 -44.988 -42.115 75.783 1.00 0.00 H new ATOM 0 HG21 THR A 27 -42.972 -42.098 74.491 1.00 0.00 H new ATOM 0 HG22 THR A 27 -42.548 -40.537 73.747 1.00 0.00 H new ATOM 0 HG23 THR A 27 -42.603 -40.693 75.519 1.00 0.00 H new ATOM 409 N GLY A 28 -43.459 -37.472 73.415 1.00 0.00 N ATOM 410 CA GLY A 28 -43.086 -36.743 72.157 1.00 0.00 C ATOM 411 C GLY A 28 -41.802 -37.318 71.560 1.00 0.00 C ATOM 412 O GLY A 28 -40.872 -37.683 72.254 1.00 0.00 O ATOM 0 H GLY A 28 -42.963 -37.172 74.255 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -43.896 -36.820 71.432 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -42.950 -35.683 72.372 1.00 0.00 H new ATOM 416 N MET A 29 -41.815 -37.370 70.258 1.00 0.00 N ATOM 417 CA MET A 29 -40.684 -37.895 69.455 1.00 0.00 C ATOM 418 C MET A 29 -40.672 -37.141 68.124 1.00 0.00 C ATOM 419 O MET A 29 -41.391 -37.496 67.212 1.00 0.00 O ATOM 420 CB MET A 29 -40.885 -39.393 69.215 1.00 0.00 C ATOM 421 CG MET A 29 -40.510 -40.154 70.486 1.00 0.00 C ATOM 422 SD MET A 29 -38.795 -40.000 71.034 1.00 0.00 S ATOM 423 CE MET A 29 -38.111 -41.326 70.009 1.00 0.00 C ATOM 0 H MET A 29 -42.604 -37.053 69.695 1.00 0.00 H new ATOM 0 HA MET A 29 -39.736 -37.754 69.974 1.00 0.00 H new ATOM 0 HB2 MET A 29 -41.922 -39.596 68.947 1.00 0.00 H new ATOM 0 HB3 MET A 29 -40.269 -39.727 68.380 1.00 0.00 H new ATOM 0 HG2 MET A 29 -41.159 -39.813 71.293 1.00 0.00 H new ATOM 0 HG3 MET A 29 -40.725 -41.211 70.328 1.00 0.00 H new ATOM 0 HE1 MET A 29 -37.039 -41.410 70.190 1.00 0.00 H new ATOM 0 HE2 MET A 29 -38.597 -42.269 70.262 1.00 0.00 H new ATOM 0 HE3 MET A 29 -38.285 -41.099 68.957 1.00 0.00 H new ATOM 694 N PHE A 46 -50.045 -33.865 81.790 1.00 0.00 N ATOM 695 CA PHE A 46 -50.178 -32.417 81.417 1.00 0.00 C ATOM 696 C PHE A 46 -51.625 -31.928 81.277 1.00 0.00 C ATOM 697 O PHE A 46 -52.532 -32.713 81.086 1.00 0.00 O ATOM 698 CB PHE A 46 -49.406 -32.359 80.164 1.00 0.00 C ATOM 699 CG PHE A 46 -49.245 -31.016 79.499 1.00 0.00 C ATOM 700 CD1 PHE A 46 -48.616 -30.018 80.193 1.00 0.00 C ATOM 701 CD2 PHE A 46 -49.710 -30.795 78.226 1.00 0.00 C ATOM 702 CE1 PHE A 46 -48.443 -28.773 79.632 1.00 0.00 C ATOM 703 CE2 PHE A 46 -49.538 -29.549 77.662 1.00 0.00 C ATOM 704 CZ PHE A 46 -48.907 -28.539 78.359 1.00 0.00 C ATOM 0 HA PHE A 46 -49.810 -31.742 82.189 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -48.410 -32.754 80.365 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -49.878 -33.033 79.449 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -48.252 -30.209 81.191 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -50.202 -31.584 77.676 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -47.948 -27.989 80.186 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -49.901 -29.361 76.663 1.00 0.00 H new ATOM 0 HZ PHE A 46 -48.778 -27.567 77.906 1.00 0.00 H new ATOM 714 N LYS A 47 -51.809 -30.630 81.377 1.00 0.00 N ATOM 715 CA LYS A 47 -53.187 -30.033 81.258 1.00 0.00 C ATOM 716 C LYS A 47 -53.228 -28.673 80.525 1.00 0.00 C ATOM 717 O LYS A 47 -52.583 -27.740 80.960 1.00 0.00 O ATOM 718 CB LYS A 47 -53.764 -29.830 82.658 1.00 0.00 C ATOM 719 CG LYS A 47 -53.628 -31.117 83.471 1.00 0.00 C ATOM 720 CD LYS A 47 -54.308 -30.895 84.826 1.00 0.00 C ATOM 721 CE LYS A 47 -54.144 -32.156 85.676 1.00 0.00 C ATOM 722 NZ LYS A 47 -54.801 -31.962 86.999 1.00 0.00 N ATOM 0 H LYS A 47 -51.062 -29.954 81.537 1.00 0.00 H new ATOM 0 HA LYS A 47 -53.770 -30.737 80.663 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -53.242 -29.016 83.161 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -54.813 -29.542 82.590 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -54.091 -31.951 82.944 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -52.577 -31.371 83.609 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -53.865 -30.038 85.334 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -55.365 -30.671 84.685 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -54.584 -33.011 85.163 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -53.086 -32.377 85.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -54.687 -32.822 87.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -54.362 -31.157 87.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -55.814 -31.771 86.859 1.00 0.00 H new ATOM 736 N PHE A 48 -53.964 -28.555 79.440 1.00 0.00 N ATOM 737 CA PHE A 48 -54.025 -27.230 78.712 1.00 0.00 C ATOM 738 C PHE A 48 -55.469 -26.891 78.328 1.00 0.00 C ATOM 739 O PHE A 48 -56.360 -27.703 78.477 1.00 0.00 O ATOM 740 CB PHE A 48 -53.146 -27.288 77.440 1.00 0.00 C ATOM 741 CG PHE A 48 -53.765 -28.146 76.325 1.00 0.00 C ATOM 742 CD1 PHE A 48 -54.791 -27.677 75.523 1.00 0.00 C ATOM 743 CD2 PHE A 48 -53.280 -29.412 76.100 1.00 0.00 C ATOM 744 CE1 PHE A 48 -55.308 -28.477 74.518 1.00 0.00 C ATOM 745 CE2 PHE A 48 -53.786 -30.206 75.110 1.00 0.00 C ATOM 746 CZ PHE A 48 -54.798 -29.743 74.320 1.00 0.00 C ATOM 0 H PHE A 48 -54.520 -29.304 79.028 1.00 0.00 H new ATOM 0 HA PHE A 48 -53.650 -26.452 79.377 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -52.987 -26.276 77.067 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -52.166 -27.689 77.699 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -55.189 -26.686 75.681 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -52.480 -29.788 76.720 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -56.108 -28.111 73.891 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -53.386 -31.197 74.953 1.00 0.00 H new ATOM 0 HZ PHE A 48 -55.200 -30.370 73.538 1.00 0.00 H new ATOM 756 N MET A 49 -55.675 -25.691 77.836 1.00 0.00 N ATOM 757 CA MET A 49 -57.053 -25.249 77.430 1.00 0.00 C ATOM 758 C MET A 49 -57.184 -24.888 75.949 1.00 0.00 C ATOM 759 O MET A 49 -56.289 -24.338 75.339 1.00 0.00 O ATOM 760 CB MET A 49 -57.413 -24.071 78.280 1.00 0.00 C ATOM 761 CG MET A 49 -58.828 -23.552 77.979 1.00 0.00 C ATOM 762 SD MET A 49 -59.449 -22.215 79.032 1.00 0.00 S ATOM 763 CE MET A 49 -60.178 -23.257 80.319 1.00 0.00 C ATOM 0 H MET A 49 -54.944 -24.993 77.697 1.00 0.00 H new ATOM 0 HA MET A 49 -57.733 -26.088 77.579 1.00 0.00 H new ATOM 0 HB2 MET A 49 -57.345 -24.349 79.332 1.00 0.00 H new ATOM 0 HB3 MET A 49 -56.691 -23.271 78.115 1.00 0.00 H new ATOM 0 HG2 MET A 49 -58.851 -23.208 76.945 1.00 0.00 H new ATOM 0 HG3 MET A 49 -59.520 -24.391 78.052 1.00 0.00 H new ATOM 0 HE1 MET A 49 -61.265 -23.217 80.248 1.00 0.00 H new ATOM 0 HE2 MET A 49 -59.844 -24.286 80.187 1.00 0.00 H new ATOM 0 HE3 MET A 49 -59.865 -22.897 81.299 1.00 0.00 H new ATOM 773 N LEU A 50 -58.334 -25.223 75.419 1.00 0.00 N ATOM 774 CA LEU A 50 -58.687 -24.968 73.999 1.00 0.00 C ATOM 775 C LEU A 50 -59.383 -23.607 73.850 1.00 0.00 C ATOM 776 O LEU A 50 -60.257 -23.275 74.625 1.00 0.00 O ATOM 777 CB LEU A 50 -59.601 -26.118 73.588 1.00 0.00 C ATOM 778 CG LEU A 50 -60.226 -25.941 72.203 1.00 0.00 C ATOM 779 CD1 LEU A 50 -59.144 -25.978 71.146 1.00 0.00 C ATOM 780 CD2 LEU A 50 -61.186 -27.108 71.954 1.00 0.00 C ATOM 0 H LEU A 50 -59.075 -25.686 75.946 1.00 0.00 H new ATOM 0 HA LEU A 50 -57.805 -24.925 73.360 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -59.031 -27.047 73.604 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -60.397 -26.220 74.326 1.00 0.00 H new ATOM 0 HG LEU A 50 -60.751 -24.987 72.156 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -59.593 -25.852 70.161 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -58.432 -25.173 71.326 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -58.626 -26.936 71.188 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -61.643 -27.000 70.970 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -60.635 -28.048 71.997 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -61.964 -27.108 72.717 1.00 0.00 H new ATOM 792 N GLY A 51 -58.989 -22.840 72.865 1.00 0.00 N ATOM 793 CA GLY A 51 -59.609 -21.500 72.630 1.00 0.00 C ATOM 794 C GLY A 51 -58.502 -20.464 72.571 1.00 0.00 C ATOM 795 O GLY A 51 -58.566 -19.502 71.831 1.00 0.00 O ATOM 0 H GLY A 51 -58.253 -23.089 72.204 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -60.176 -21.502 71.699 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -60.310 -21.261 73.430 1.00 0.00 H new ATOM 799 N LYS A 52 -57.496 -20.697 73.372 1.00 0.00 N ATOM 800 CA LYS A 52 -56.321 -19.774 73.445 1.00 0.00 C ATOM 801 C LYS A 52 -55.044 -20.563 73.156 1.00 0.00 C ATOM 802 O LYS A 52 -54.049 -20.378 73.827 1.00 0.00 O ATOM 803 CB LYS A 52 -56.331 -19.207 74.842 1.00 0.00 C ATOM 804 CG LYS A 52 -55.444 -17.960 74.927 1.00 0.00 C ATOM 805 CD LYS A 52 -55.506 -17.422 76.358 1.00 0.00 C ATOM 806 CE LYS A 52 -54.623 -16.175 76.455 1.00 0.00 C ATOM 807 NZ LYS A 52 -54.670 -15.630 77.840 1.00 0.00 N ATOM 0 H LYS A 52 -57.437 -21.505 73.992 1.00 0.00 H new ATOM 0 HA LYS A 52 -56.367 -18.968 72.712 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -57.351 -18.954 75.130 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -55.978 -19.959 75.548 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -54.417 -18.206 74.658 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -55.786 -17.202 74.222 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -56.534 -17.178 76.625 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -55.165 -18.181 77.062 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -53.596 -16.424 76.187 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -54.964 -15.421 75.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -54.069 -14.783 77.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -55.650 -15.377 78.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -54.324 -16.349 78.508 1.00 0.00 H new ATOM 821 N GLN A 53 -55.144 -21.403 72.156 1.00 0.00 N ATOM 822 CA GLN A 53 -54.027 -22.283 71.693 1.00 0.00 C ATOM 823 C GLN A 53 -52.838 -22.362 72.650 1.00 0.00 C ATOM 824 O GLN A 53 -51.700 -22.204 72.256 1.00 0.00 O ATOM 825 CB GLN A 53 -53.544 -21.771 70.337 1.00 0.00 C ATOM 826 CG GLN A 53 -54.716 -21.806 69.355 1.00 0.00 C ATOM 827 CD GLN A 53 -54.242 -21.278 67.999 1.00 0.00 C ATOM 828 OE1 GLN A 53 -53.340 -21.817 67.390 1.00 0.00 O ATOM 829 NE2 GLN A 53 -54.825 -20.225 67.495 1.00 0.00 N ATOM 0 H GLN A 53 -56.001 -21.519 71.615 1.00 0.00 H new ATOM 0 HA GLN A 53 -54.430 -23.294 71.637 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -53.160 -20.755 70.431 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -52.724 -22.389 69.970 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -55.092 -22.824 69.253 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -55.540 -21.198 69.729 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -55.583 -19.769 68.003 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -54.523 -19.858 66.593 1.00 0.00 H new ATOM 838 N GLU A 54 -53.138 -22.608 73.898 1.00 0.00 N ATOM 839 CA GLU A 54 -52.053 -22.710 74.913 1.00 0.00 C ATOM 840 C GLU A 54 -50.963 -23.646 74.402 1.00 0.00 C ATOM 841 O GLU A 54 -49.801 -23.506 74.730 1.00 0.00 O ATOM 842 CB GLU A 54 -52.635 -23.248 76.220 1.00 0.00 C ATOM 843 CG GLU A 54 -53.620 -22.213 76.773 1.00 0.00 C ATOM 844 CD GLU A 54 -54.165 -22.693 78.122 1.00 0.00 C ATOM 845 OE1 GLU A 54 -53.785 -23.784 78.513 1.00 0.00 O ATOM 846 OE2 GLU A 54 -54.935 -21.932 78.686 1.00 0.00 O ATOM 0 H GLU A 54 -54.084 -22.742 74.256 1.00 0.00 H new ATOM 0 HA GLU A 54 -51.620 -21.725 75.090 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -53.140 -24.198 76.047 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -51.839 -23.437 76.940 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -53.123 -21.250 76.892 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -54.440 -22.064 76.070 1.00 0.00 H new ATOM 853 N VAL A 55 -51.382 -24.592 73.599 1.00 0.00 N ATOM 854 CA VAL A 55 -50.428 -25.594 73.016 1.00 0.00 C ATOM 855 C VAL A 55 -50.414 -25.464 71.486 1.00 0.00 C ATOM 856 O VAL A 55 -51.348 -24.950 70.903 1.00 0.00 O ATOM 857 CB VAL A 55 -50.901 -26.979 73.523 1.00 0.00 C ATOM 858 CG1 VAL A 55 -50.765 -26.949 75.046 1.00 0.00 C ATOM 859 CG2 VAL A 55 -52.388 -27.301 73.225 1.00 0.00 C ATOM 0 H VAL A 55 -52.354 -24.717 73.318 1.00 0.00 H new ATOM 0 HA VAL A 55 -49.395 -25.436 73.327 1.00 0.00 H new ATOM 0 HB VAL A 55 -50.299 -27.732 73.015 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -51.086 -27.905 75.459 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -49.724 -26.769 75.315 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -51.387 -26.151 75.451 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -52.632 -28.289 73.615 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -53.024 -26.556 73.702 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -52.555 -27.285 72.148 1.00 0.00 H new ATOM 869 N ILE A 56 -49.359 -25.928 70.865 1.00 0.00 N ATOM 870 CA ILE A 56 -49.293 -25.814 69.372 1.00 0.00 C ATOM 871 C ILE A 56 -50.604 -26.253 68.723 1.00 0.00 C ATOM 872 O ILE A 56 -51.490 -26.759 69.384 1.00 0.00 O ATOM 873 CB ILE A 56 -48.094 -26.665 68.846 1.00 0.00 C ATOM 874 CG1 ILE A 56 -48.362 -28.161 69.119 1.00 0.00 C ATOM 875 CG2 ILE A 56 -46.837 -26.144 69.590 1.00 0.00 C ATOM 876 CD1 ILE A 56 -47.209 -29.060 68.647 1.00 0.00 C ATOM 0 H ILE A 56 -48.557 -26.371 71.312 1.00 0.00 H new ATOM 0 HA ILE A 56 -49.138 -24.769 69.102 1.00 0.00 H new ATOM 0 HB ILE A 56 -47.952 -26.570 67.769 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -48.521 -28.310 70.187 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -49.281 -28.460 68.616 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -45.962 -26.704 69.262 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -46.695 -25.086 69.368 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -46.970 -26.275 70.664 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -47.448 -30.101 68.862 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -47.066 -28.935 67.574 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -46.294 -28.782 69.170 1.00 0.00 H new ATOM 888 N ARG A 57 -50.705 -26.054 67.435 1.00 0.00 N ATOM 889 CA ARG A 57 -51.934 -26.435 66.708 1.00 0.00 C ATOM 890 C ARG A 57 -52.067 -27.944 66.561 1.00 0.00 C ATOM 891 O ARG A 57 -53.032 -28.496 67.045 1.00 0.00 O ATOM 892 CB ARG A 57 -51.907 -25.767 65.329 1.00 0.00 C ATOM 893 CG ARG A 57 -53.242 -26.028 64.626 1.00 0.00 C ATOM 894 CD ARG A 57 -53.231 -25.304 63.277 1.00 0.00 C ATOM 895 NE ARG A 57 -53.040 -23.840 63.544 1.00 0.00 N ATOM 896 CZ ARG A 57 -53.939 -22.957 63.187 1.00 0.00 C ATOM 897 NH1 ARG A 57 -55.191 -23.178 63.483 1.00 0.00 N ATOM 898 NH2 ARG A 57 -53.554 -21.886 62.551 1.00 0.00 N ATOM 0 H ARG A 57 -49.975 -25.638 66.856 1.00 0.00 H new ATOM 0 HA ARG A 57 -52.798 -26.097 67.280 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -51.739 -24.695 65.433 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -51.084 -26.163 64.734 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -53.390 -27.098 64.480 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -54.069 -25.672 65.240 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -52.428 -25.685 62.645 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -54.166 -25.476 62.743 1.00 0.00 H new ATOM 0 HE ARG A 57 -52.191 -23.525 64.014 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -55.455 -24.027 63.984 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -55.906 -22.502 63.213 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -52.566 -21.746 62.339 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -54.241 -21.188 62.265 1.00 0.00 H new ATOM 912 N GLY A 58 -51.127 -28.571 65.899 1.00 0.00 N ATOM 913 CA GLY A 58 -51.163 -30.057 65.709 1.00 0.00 C ATOM 914 C GLY A 58 -51.761 -30.769 66.922 1.00 0.00 C ATOM 915 O GLY A 58 -52.339 -31.832 66.827 1.00 0.00 O ATOM 0 H GLY A 58 -50.322 -28.110 65.475 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -51.749 -30.296 64.822 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -50.153 -30.426 65.533 1.00 0.00 H new ATOM 919 N TRP A 59 -51.596 -30.137 68.054 1.00 0.00 N ATOM 920 CA TRP A 59 -52.126 -30.699 69.331 1.00 0.00 C ATOM 921 C TRP A 59 -53.571 -30.200 69.469 1.00 0.00 C ATOM 922 O TRP A 59 -54.516 -30.935 69.272 1.00 0.00 O ATOM 923 CB TRP A 59 -51.277 -30.173 70.522 1.00 0.00 C ATOM 924 CG TRP A 59 -50.340 -31.230 71.128 1.00 0.00 C ATOM 925 CD1 TRP A 59 -49.499 -31.982 70.406 1.00 0.00 C ATOM 926 CD2 TRP A 59 -50.160 -31.533 72.428 1.00 0.00 C ATOM 927 NE1 TRP A 59 -48.844 -32.695 71.302 1.00 0.00 N ATOM 928 CE2 TRP A 59 -49.171 -32.500 72.576 1.00 0.00 C ATOM 929 CE3 TRP A 59 -50.806 -31.041 73.535 1.00 0.00 C ATOM 930 CZ2 TRP A 59 -48.854 -32.942 73.862 1.00 0.00 C ATOM 931 CZ3 TRP A 59 -50.475 -31.496 74.763 1.00 0.00 C ATOM 932 CH2 TRP A 59 -49.510 -32.436 74.937 1.00 0.00 C ATOM 0 H TRP A 59 -51.111 -29.245 68.149 1.00 0.00 H new ATOM 0 HA TRP A 59 -52.084 -31.788 69.330 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -50.683 -29.324 70.186 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -51.947 -29.805 71.300 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -49.383 -32.000 69.332 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -48.122 -33.363 71.031 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -51.577 -30.292 73.424 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -48.085 -33.688 74.001 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -50.990 -31.103 75.627 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -49.265 -32.781 75.931 1.00 0.00 H new ATOM 943 N GLU A 60 -53.670 -28.936 69.812 1.00 0.00 N ATOM 944 CA GLU A 60 -54.987 -28.243 70.004 1.00 0.00 C ATOM 945 C GLU A 60 -56.025 -28.816 69.048 1.00 0.00 C ATOM 946 O GLU A 60 -57.111 -29.194 69.434 1.00 0.00 O ATOM 947 CB GLU A 60 -54.742 -26.760 69.759 1.00 0.00 C ATOM 948 CG GLU A 60 -55.940 -25.870 70.162 1.00 0.00 C ATOM 949 CD GLU A 60 -57.059 -25.889 69.111 1.00 0.00 C ATOM 950 OE1 GLU A 60 -57.768 -26.880 69.046 1.00 0.00 O ATOM 951 OE2 GLU A 60 -57.140 -24.887 68.418 1.00 0.00 O ATOM 0 H GLU A 60 -52.862 -28.335 69.972 1.00 0.00 H new ATOM 0 HA GLU A 60 -55.379 -28.392 71.010 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -53.861 -26.447 70.319 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -54.521 -26.604 68.703 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -56.337 -26.210 71.118 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -55.597 -24.845 70.306 1.00 0.00 H new ATOM 958 N GLU A 61 -55.629 -28.857 67.806 1.00 0.00 N ATOM 959 CA GLU A 61 -56.493 -29.382 66.737 1.00 0.00 C ATOM 960 C GLU A 61 -56.511 -30.901 66.882 1.00 0.00 C ATOM 961 O GLU A 61 -57.558 -31.508 66.976 1.00 0.00 O ATOM 962 CB GLU A 61 -55.911 -28.973 65.376 1.00 0.00 C ATOM 963 CG GLU A 61 -56.819 -29.472 64.241 1.00 0.00 C ATOM 964 CD GLU A 61 -58.149 -28.710 64.256 1.00 0.00 C ATOM 965 OE1 GLU A 61 -58.234 -27.765 65.022 1.00 0.00 O ATOM 966 OE2 GLU A 61 -59.006 -29.120 63.490 1.00 0.00 O ATOM 0 H GLU A 61 -54.714 -28.537 67.489 1.00 0.00 H new ATOM 0 HA GLU A 61 -57.506 -28.987 66.806 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -55.814 -27.889 65.324 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -54.910 -29.388 65.260 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -56.323 -29.334 63.280 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -57.002 -30.541 64.354 1.00 0.00 H new ATOM 973 N GLY A 62 -55.343 -31.488 66.897 1.00 0.00 N ATOM 974 CA GLY A 62 -55.281 -32.958 67.038 1.00 0.00 C ATOM 975 C GLY A 62 -56.072 -33.375 68.278 1.00 0.00 C ATOM 976 O GLY A 62 -57.171 -33.877 68.188 1.00 0.00 O ATOM 0 H GLY A 62 -54.444 -31.013 66.818 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -55.692 -33.439 66.150 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -54.245 -33.284 67.126 1.00 0.00 H new ATOM 980 N VAL A 63 -55.474 -33.152 69.416 1.00 0.00 N ATOM 981 CA VAL A 63 -56.131 -33.503 70.709 1.00 0.00 C ATOM 982 C VAL A 63 -57.646 -33.239 70.677 1.00 0.00 C ATOM 983 O VAL A 63 -58.420 -34.056 71.125 1.00 0.00 O ATOM 984 CB VAL A 63 -55.467 -32.693 71.819 1.00 0.00 C ATOM 985 CG1 VAL A 63 -56.073 -33.162 73.155 1.00 0.00 C ATOM 986 CG2 VAL A 63 -53.934 -32.951 71.817 1.00 0.00 C ATOM 0 H VAL A 63 -54.547 -32.737 69.507 1.00 0.00 H new ATOM 0 HA VAL A 63 -56.006 -34.570 70.891 1.00 0.00 H new ATOM 0 HB VAL A 63 -55.635 -31.626 71.671 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -55.622 -32.604 73.975 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -57.149 -32.989 73.147 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -55.878 -34.226 73.290 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -53.466 -32.370 72.612 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -53.743 -34.011 71.982 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -53.516 -32.653 70.855 1.00 0.00 H new ATOM 996 N ALA A 64 -58.061 -32.108 70.173 1.00 0.00 N ATOM 997 CA ALA A 64 -59.535 -31.834 70.123 1.00 0.00 C ATOM 998 C ALA A 64 -60.273 -33.037 69.537 1.00 0.00 C ATOM 999 O ALA A 64 -61.174 -33.619 70.106 1.00 0.00 O ATOM 1000 CB ALA A 64 -59.828 -30.642 69.226 1.00 0.00 C ATOM 0 H ALA A 64 -57.461 -31.372 69.800 1.00 0.00 H new ATOM 0 HA ALA A 64 -59.867 -31.633 71.141 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -60.902 -30.459 69.203 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -59.318 -29.760 69.615 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -59.474 -30.850 68.217 1.00 0.00 H new ATOM 1006 N GLN A 65 -59.793 -33.329 68.365 1.00 0.00 N ATOM 1007 CA GLN A 65 -60.278 -34.430 67.514 1.00 0.00 C ATOM 1008 C GLN A 65 -60.128 -35.770 68.238 1.00 0.00 C ATOM 1009 O GLN A 65 -60.479 -36.807 67.711 1.00 0.00 O ATOM 1010 CB GLN A 65 -59.450 -34.300 66.235 1.00 0.00 C ATOM 1011 CG GLN A 65 -59.998 -35.061 65.039 1.00 0.00 C ATOM 1012 CD GLN A 65 -59.118 -34.686 63.825 1.00 0.00 C ATOM 1013 OE1 GLN A 65 -59.274 -35.227 62.749 1.00 0.00 O ATOM 1014 NE2 GLN A 65 -58.186 -33.769 63.952 1.00 0.00 N ATOM 0 H GLN A 65 -59.028 -32.804 67.941 1.00 0.00 H new ATOM 0 HA GLN A 65 -61.341 -34.382 67.279 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -59.376 -33.245 65.973 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -58.438 -34.650 66.437 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -59.969 -36.136 65.219 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -61.040 -34.796 64.857 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -58.044 -33.307 64.850 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -57.604 -33.519 63.152 1.00 0.00 H new ATOM 1023 N MET A 66 -59.605 -35.716 69.439 1.00 0.00 N ATOM 1024 CA MET A 66 -59.417 -36.970 70.246 1.00 0.00 C ATOM 1025 C MET A 66 -60.607 -37.033 71.216 1.00 0.00 C ATOM 1026 O MET A 66 -61.153 -36.008 71.572 1.00 0.00 O ATOM 1027 CB MET A 66 -58.094 -36.853 71.012 1.00 0.00 C ATOM 1028 CG MET A 66 -57.634 -38.213 71.484 1.00 0.00 C ATOM 1029 SD MET A 66 -57.386 -39.486 70.224 1.00 0.00 S ATOM 1030 CE MET A 66 -56.555 -38.454 68.994 1.00 0.00 C ATOM 0 H MET A 66 -59.299 -34.858 69.899 1.00 0.00 H new ATOM 0 HA MET A 66 -59.379 -37.870 69.632 1.00 0.00 H new ATOM 0 HB2 MET A 66 -57.334 -36.408 70.370 1.00 0.00 H new ATOM 0 HB3 MET A 66 -58.219 -36.188 71.867 1.00 0.00 H new ATOM 0 HG2 MET A 66 -56.695 -38.084 72.023 1.00 0.00 H new ATOM 0 HG3 MET A 66 -58.365 -38.586 72.202 1.00 0.00 H new ATOM 0 HE1 MET A 66 -56.138 -39.086 68.210 1.00 0.00 H new ATOM 0 HE2 MET A 66 -57.273 -37.760 68.557 1.00 0.00 H new ATOM 0 HE3 MET A 66 -55.753 -37.892 69.472 1.00 0.00 H new ATOM 1040 N SER A 67 -60.991 -38.214 71.639 1.00 0.00 N ATOM 1041 CA SER A 67 -62.155 -38.351 72.588 1.00 0.00 C ATOM 1042 C SER A 67 -61.735 -38.932 73.937 1.00 0.00 C ATOM 1043 O SER A 67 -60.884 -39.794 74.036 1.00 0.00 O ATOM 1044 CB SER A 67 -63.197 -39.267 71.957 1.00 0.00 C ATOM 1045 OG SER A 67 -62.502 -40.494 71.790 1.00 0.00 O ATOM 0 H SER A 67 -60.551 -39.094 71.370 1.00 0.00 H new ATOM 0 HA SER A 67 -62.561 -37.355 72.767 1.00 0.00 H new ATOM 0 HB2 SER A 67 -64.070 -39.384 72.599 1.00 0.00 H new ATOM 0 HB3 SER A 67 -63.553 -38.874 71.004 1.00 0.00 H new ATOM 0 HG SER A 67 -63.100 -41.156 71.386 1.00 0.00 H new ATOM 1051 N VAL A 68 -62.377 -38.412 74.945 1.00 0.00 N ATOM 1052 CA VAL A 68 -62.111 -38.843 76.340 1.00 0.00 C ATOM 1053 C VAL A 68 -61.939 -40.346 76.518 1.00 0.00 C ATOM 1054 O VAL A 68 -62.907 -41.075 76.603 1.00 0.00 O ATOM 1055 CB VAL A 68 -63.269 -38.327 77.204 1.00 0.00 C ATOM 1056 CG1 VAL A 68 -63.116 -38.745 78.666 1.00 0.00 C ATOM 1057 CG2 VAL A 68 -63.285 -36.799 77.135 1.00 0.00 C ATOM 0 H VAL A 68 -63.091 -37.689 74.855 1.00 0.00 H new ATOM 0 HA VAL A 68 -61.152 -38.423 76.644 1.00 0.00 H new ATOM 0 HB VAL A 68 -64.196 -38.754 76.822 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -63.956 -38.360 79.244 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -63.097 -39.833 78.733 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -62.185 -38.341 79.065 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -64.103 -36.416 77.745 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -62.339 -36.408 77.510 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -63.424 -36.483 76.101 1.00 0.00 H new ATOM 1067 N GLY A 69 -60.711 -40.792 76.573 1.00 0.00 N ATOM 1068 CA GLY A 69 -60.450 -42.257 76.751 1.00 0.00 C ATOM 1069 C GLY A 69 -59.816 -42.829 75.495 1.00 0.00 C ATOM 1070 O GLY A 69 -59.642 -44.026 75.380 1.00 0.00 O ATOM 0 H GLY A 69 -59.877 -40.209 76.503 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -59.792 -42.416 77.605 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -61.383 -42.777 76.966 1.00 0.00 H new ATOM 1074 N GLN A 70 -59.478 -41.971 74.565 1.00 0.00 N ATOM 1075 CA GLN A 70 -58.841 -42.477 73.293 1.00 0.00 C ATOM 1076 C GLN A 70 -57.346 -42.183 73.276 1.00 0.00 C ATOM 1077 O GLN A 70 -56.874 -41.207 73.831 1.00 0.00 O ATOM 1078 CB GLN A 70 -59.462 -41.793 72.058 1.00 0.00 C ATOM 1079 CG GLN A 70 -58.803 -42.368 70.781 1.00 0.00 C ATOM 1080 CD GLN A 70 -59.512 -41.821 69.533 1.00 0.00 C ATOM 1081 OE1 GLN A 70 -60.711 -41.949 69.383 1.00 0.00 O ATOM 1082 NE2 GLN A 70 -58.811 -41.207 68.614 1.00 0.00 N ATOM 0 H GLN A 70 -59.609 -40.961 74.621 1.00 0.00 H new ATOM 0 HA GLN A 70 -59.014 -43.553 73.259 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -60.539 -41.962 72.035 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -59.310 -40.715 72.108 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -57.746 -42.101 70.755 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -58.857 -43.457 70.792 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -57.804 -41.095 68.731 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -59.272 -40.841 67.781 1.00 0.00 H new ATOM 1091 N ARG A 71 -56.638 -43.068 72.617 1.00 0.00 N ATOM 1092 CA ARG A 71 -55.151 -42.943 72.485 1.00 0.00 C ATOM 1093 C ARG A 71 -54.835 -42.971 71.009 1.00 0.00 C ATOM 1094 O ARG A 71 -55.420 -43.712 70.242 1.00 0.00 O ATOM 1095 CB ARG A 71 -54.448 -44.101 73.150 1.00 0.00 C ATOM 1096 CG ARG A 71 -52.926 -43.974 73.005 1.00 0.00 C ATOM 1097 CD ARG A 71 -52.291 -45.183 73.696 1.00 0.00 C ATOM 1098 NE ARG A 71 -50.827 -45.189 73.369 1.00 0.00 N ATOM 1099 CZ ARG A 71 -49.916 -45.067 74.301 1.00 0.00 C ATOM 1100 NH1 ARG A 71 -50.128 -45.616 75.466 1.00 0.00 N ATOM 1101 NH2 ARG A 71 -48.827 -44.400 74.034 1.00 0.00 N ATOM 0 H ARG A 71 -57.035 -43.887 72.156 1.00 0.00 H new ATOM 0 HA ARG A 71 -54.815 -42.022 72.961 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -54.715 -44.136 74.206 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -54.783 -45.038 72.706 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -52.643 -43.943 71.953 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -52.575 -43.047 73.457 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -52.440 -45.127 74.774 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -52.761 -46.106 73.357 1.00 0.00 H new ATOM 0 HE ARG A 71 -50.534 -45.291 72.397 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -50.992 -46.130 75.638 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -49.429 -45.531 76.204 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -48.697 -43.984 73.112 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -48.106 -44.294 74.748 1.00 0.00 H new ATOM 1115 N ALA A 72 -53.886 -42.143 70.674 1.00 0.00 N ATOM 1116 CA ALA A 72 -53.447 -42.035 69.242 1.00 0.00 C ATOM 1117 C ALA A 72 -51.992 -41.665 69.016 1.00 0.00 C ATOM 1118 O ALA A 72 -51.230 -41.427 69.931 1.00 0.00 O ATOM 1119 CB ALA A 72 -54.296 -40.995 68.552 1.00 0.00 C ATOM 0 H ALA A 72 -53.391 -41.533 71.325 1.00 0.00 H new ATOM 0 HA ALA A 72 -53.568 -43.039 68.836 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -53.988 -40.906 67.510 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -55.344 -41.293 68.596 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -54.171 -40.034 69.051 1.00 0.00 H new ATOM 1125 N LYS A 73 -51.698 -41.638 67.742 1.00 0.00 N ATOM 1126 CA LYS A 73 -50.349 -41.301 67.204 1.00 0.00 C ATOM 1127 C LYS A 73 -50.664 -40.185 66.194 1.00 0.00 C ATOM 1128 O LYS A 73 -51.169 -40.444 65.120 1.00 0.00 O ATOM 1129 CB LYS A 73 -49.774 -42.552 66.525 1.00 0.00 C ATOM 1130 CG LYS A 73 -48.286 -42.409 66.160 1.00 0.00 C ATOM 1131 CD LYS A 73 -47.414 -42.478 67.431 1.00 0.00 C ATOM 1132 CE LYS A 73 -45.957 -42.678 67.010 1.00 0.00 C ATOM 1133 NZ LYS A 73 -45.817 -43.967 66.274 1.00 0.00 N ATOM 0 H LYS A 73 -52.381 -41.849 67.014 1.00 0.00 H new ATOM 0 HA LYS A 73 -49.613 -40.985 67.943 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -49.899 -43.408 67.188 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -50.345 -42.763 65.621 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -47.996 -43.200 65.469 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -48.120 -41.461 65.648 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -47.518 -41.562 68.012 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -47.740 -43.299 68.070 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -45.635 -41.851 66.378 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -45.312 -42.678 67.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -44.875 -44.370 66.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -46.547 -44.633 66.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -45.931 -43.799 65.254 1.00 0.00 H new ATOM 1147 N LEU A 74 -50.361 -38.967 66.558 1.00 0.00 N ATOM 1148 CA LEU A 74 -50.642 -37.808 65.644 1.00 0.00 C ATOM 1149 C LEU A 74 -49.337 -37.389 64.955 1.00 0.00 C ATOM 1150 O LEU A 74 -48.258 -37.620 65.465 1.00 0.00 O ATOM 1151 CB LEU A 74 -51.194 -36.635 66.480 1.00 0.00 C ATOM 1152 CG LEU A 74 -52.162 -37.140 67.562 1.00 0.00 C ATOM 1153 CD1 LEU A 74 -52.663 -35.945 68.370 1.00 0.00 C ATOM 1154 CD2 LEU A 74 -53.358 -37.837 66.935 1.00 0.00 C ATOM 0 H LEU A 74 -49.930 -38.719 67.449 1.00 0.00 H new ATOM 0 HA LEU A 74 -51.375 -38.091 64.888 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -50.369 -36.096 66.947 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -51.708 -35.929 65.828 1.00 0.00 H new ATOM 0 HG LEU A 74 -51.635 -37.849 68.200 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -53.351 -36.290 69.142 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -51.817 -35.441 68.837 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -53.179 -35.249 67.709 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -54.029 -38.186 67.720 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -53.889 -37.138 66.288 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -53.016 -38.688 66.346 1.00 0.00 H new ATOM 1166 N THR A 75 -49.466 -36.777 63.806 1.00 0.00 N ATOM 1167 CA THR A 75 -48.268 -36.310 63.031 1.00 0.00 C ATOM 1168 C THR A 75 -48.480 -34.823 62.771 1.00 0.00 C ATOM 1169 O THR A 75 -49.544 -34.423 62.346 1.00 0.00 O ATOM 1170 CB THR A 75 -48.190 -37.068 61.707 1.00 0.00 C ATOM 1171 OG1 THR A 75 -48.105 -38.433 62.088 1.00 0.00 O ATOM 1172 CG2 THR A 75 -46.855 -36.790 61.011 1.00 0.00 C ATOM 0 H THR A 75 -50.362 -36.576 63.362 1.00 0.00 H new ATOM 0 HA THR A 75 -47.341 -36.486 63.576 1.00 0.00 H new ATOM 0 HB THR A 75 -49.026 -36.799 61.061 1.00 0.00 H new ATOM 0 HG1 THR A 75 -48.053 -38.994 61.286 1.00 0.00 H new ATOM 0 HG21 THR A 75 -46.815 -37.337 60.069 1.00 0.00 H new ATOM 0 HG22 THR A 75 -46.763 -35.722 60.814 1.00 0.00 H new ATOM 0 HG23 THR A 75 -46.036 -37.113 61.653 1.00 0.00 H new ATOM 1180 N ILE A 76 -47.478 -34.021 63.025 1.00 0.00 N ATOM 1181 CA ILE A 76 -47.592 -32.540 62.803 1.00 0.00 C ATOM 1182 C ILE A 76 -46.574 -32.072 61.776 1.00 0.00 C ATOM 1183 O ILE A 76 -45.433 -32.491 61.781 1.00 0.00 O ATOM 1184 CB ILE A 76 -47.316 -31.799 64.112 1.00 0.00 C ATOM 1185 CG1 ILE A 76 -48.139 -32.480 65.216 1.00 0.00 C ATOM 1186 CG2 ILE A 76 -47.707 -30.307 63.906 1.00 0.00 C ATOM 1187 CD1 ILE A 76 -47.878 -31.846 66.582 1.00 0.00 C ATOM 0 H ILE A 76 -46.573 -34.329 63.381 1.00 0.00 H new ATOM 0 HA ILE A 76 -48.600 -32.329 62.446 1.00 0.00 H new ATOM 0 HB ILE A 76 -46.267 -31.833 64.405 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -49.200 -32.408 64.977 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -47.892 -33.541 65.253 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -47.521 -29.752 64.825 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -47.110 -29.883 63.099 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -48.764 -30.240 63.650 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -48.477 -32.353 67.339 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -46.821 -31.942 66.832 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -48.150 -30.791 66.551 1.00 0.00 H new ATOM 1199 N SER A 77 -47.036 -31.192 60.929 1.00 0.00 N ATOM 1200 CA SER A 77 -46.179 -30.607 59.843 1.00 0.00 C ATOM 1201 C SER A 77 -45.974 -29.130 60.230 1.00 0.00 C ATOM 1202 O SER A 77 -46.832 -28.571 60.883 1.00 0.00 O ATOM 1203 CB SER A 77 -46.946 -30.749 58.521 1.00 0.00 C ATOM 1204 OG SER A 77 -48.151 -30.042 58.770 1.00 0.00 O ATOM 0 H SER A 77 -47.994 -30.842 60.941 1.00 0.00 H new ATOM 0 HA SER A 77 -45.213 -31.098 59.727 1.00 0.00 H new ATOM 0 HB2 SER A 77 -46.392 -30.320 57.686 1.00 0.00 H new ATOM 0 HB3 SER A 77 -47.135 -31.794 58.275 1.00 0.00 H new ATOM 0 HG SER A 77 -48.284 -29.366 58.073 1.00 0.00 H new ATOM 1210 N PRO A 78 -44.880 -28.518 59.845 1.00 0.00 N ATOM 1211 CA PRO A 78 -44.534 -27.155 60.324 1.00 0.00 C ATOM 1212 C PRO A 78 -45.749 -26.227 60.420 1.00 0.00 C ATOM 1213 O PRO A 78 -46.026 -25.674 61.466 1.00 0.00 O ATOM 1214 CB PRO A 78 -43.439 -26.680 59.328 1.00 0.00 C ATOM 1215 CG PRO A 78 -43.520 -27.705 58.167 1.00 0.00 C ATOM 1216 CD PRO A 78 -43.857 -29.013 58.887 1.00 0.00 C ATOM 0 HA PRO A 78 -44.167 -27.148 61.350 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -43.630 -25.665 58.979 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -42.452 -26.678 59.791 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -44.287 -27.434 57.442 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -42.578 -27.775 57.623 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -44.251 -29.772 58.211 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -42.992 -29.449 59.388 1.00 0.00 H new ATOM 1224 N ASP A 79 -46.436 -26.085 59.317 1.00 0.00 N ATOM 1225 CA ASP A 79 -47.642 -25.216 59.251 1.00 0.00 C ATOM 1226 C ASP A 79 -48.437 -25.222 60.555 1.00 0.00 C ATOM 1227 O ASP A 79 -49.019 -24.231 60.949 1.00 0.00 O ATOM 1228 CB ASP A 79 -48.497 -25.701 58.056 1.00 0.00 C ATOM 1229 CG ASP A 79 -48.604 -27.233 58.031 1.00 0.00 C ATOM 1230 OD1 ASP A 79 -47.555 -27.850 58.102 1.00 0.00 O ATOM 1231 OD2 ASP A 79 -49.726 -27.701 57.931 1.00 0.00 O ATOM 0 H ASP A 79 -46.203 -26.548 58.439 1.00 0.00 H new ATOM 0 HA ASP A 79 -47.340 -24.179 59.106 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -49.494 -25.266 58.119 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -48.055 -25.350 57.124 1.00 0.00 H new ATOM 1236 N TYR A 80 -48.435 -26.364 61.194 1.00 0.00 N ATOM 1237 CA TYR A 80 -49.162 -26.552 62.484 1.00 0.00 C ATOM 1238 C TYR A 80 -48.172 -26.527 63.655 1.00 0.00 C ATOM 1239 O TYR A 80 -48.380 -25.811 64.614 1.00 0.00 O ATOM 1240 CB TYR A 80 -49.901 -27.900 62.410 1.00 0.00 C ATOM 1241 CG TYR A 80 -51.242 -27.760 61.655 1.00 0.00 C ATOM 1242 CD1 TYR A 80 -51.326 -27.138 60.421 1.00 0.00 C ATOM 1243 CD2 TYR A 80 -52.402 -28.263 62.218 1.00 0.00 C ATOM 1244 CE1 TYR A 80 -52.539 -27.020 59.773 1.00 0.00 C ATOM 1245 CE2 TYR A 80 -53.614 -28.146 61.567 1.00 0.00 C ATOM 1246 CZ TYR A 80 -53.690 -27.523 60.340 1.00 0.00 C ATOM 1247 OH TYR A 80 -54.900 -27.403 59.687 1.00 0.00 O ATOM 0 H TYR A 80 -47.946 -27.196 60.865 1.00 0.00 H new ATOM 0 HA TYR A 80 -49.878 -25.747 62.647 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -49.273 -28.635 61.908 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -50.085 -28.273 63.418 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -50.433 -26.741 59.961 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -52.359 -28.753 63.179 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -52.587 -26.529 58.812 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -54.508 -28.545 62.022 1.00 0.00 H new ATOM 0 HH TYR A 80 -55.606 -27.813 60.229 1.00 0.00 H new ATOM 1457 N THR A 96 -40.664 -31.989 61.265 1.00 0.00 N ATOM 1458 CA THR A 96 -41.957 -32.698 61.562 1.00 0.00 C ATOM 1459 C THR A 96 -41.961 -33.252 63.000 1.00 0.00 C ATOM 1460 O THR A 96 -40.982 -33.844 63.409 1.00 0.00 O ATOM 1461 CB THR A 96 -42.081 -33.826 60.539 1.00 0.00 C ATOM 1462 OG1 THR A 96 -42.067 -33.156 59.287 1.00 0.00 O ATOM 1463 CG2 THR A 96 -43.443 -34.516 60.563 1.00 0.00 C ATOM 0 HA THR A 96 -42.803 -32.015 61.490 1.00 0.00 H new ATOM 0 HB THR A 96 -41.302 -34.564 60.730 1.00 0.00 H new ATOM 0 HG1 THR A 96 -41.426 -32.416 59.319 1.00 0.00 H new ATOM 0 HG21 THR A 96 -43.464 -35.306 59.813 1.00 0.00 H new ATOM 0 HG22 THR A 96 -43.615 -34.947 61.549 1.00 0.00 H new ATOM 0 HG23 THR A 96 -44.224 -33.788 60.344 1.00 0.00 H new ATOM 1471 N LEU A 97 -43.023 -33.074 63.754 1.00 0.00 N ATOM 1472 CA LEU A 97 -43.064 -33.593 65.151 1.00 0.00 C ATOM 1473 C LEU A 97 -44.038 -34.786 65.207 1.00 0.00 C ATOM 1474 O LEU A 97 -45.036 -34.765 64.514 1.00 0.00 O ATOM 1475 CB LEU A 97 -43.604 -32.510 66.087 1.00 0.00 C ATOM 1476 CG LEU A 97 -42.991 -31.105 65.965 1.00 0.00 C ATOM 1477 CD1 LEU A 97 -43.656 -30.237 67.038 1.00 0.00 C ATOM 1478 CD2 LEU A 97 -41.501 -31.047 66.245 1.00 0.00 C ATOM 0 H LEU A 97 -43.867 -32.587 63.454 1.00 0.00 H new ATOM 0 HA LEU A 97 -42.060 -33.889 65.454 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -44.678 -32.425 65.921 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -43.466 -32.851 67.113 1.00 0.00 H new ATOM 0 HG LEU A 97 -43.150 -30.776 64.938 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -43.251 -29.226 66.990 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -44.732 -30.206 66.866 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -43.459 -30.661 68.023 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -41.150 -30.021 66.137 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -41.308 -31.391 67.261 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -40.973 -31.687 65.538 1.00 0.00 H new ATOM 1490 N VAL A 98 -43.763 -35.797 66.004 1.00 0.00 N ATOM 1491 CA VAL A 98 -44.711 -36.958 66.079 1.00 0.00 C ATOM 1492 C VAL A 98 -45.012 -37.198 67.558 1.00 0.00 C ATOM 1493 O VAL A 98 -44.116 -37.340 68.367 1.00 0.00 O ATOM 1494 CB VAL A 98 -44.065 -38.194 65.472 1.00 0.00 C ATOM 1495 CG1 VAL A 98 -45.112 -39.317 65.484 1.00 0.00 C ATOM 1496 CG2 VAL A 98 -43.689 -37.889 64.021 1.00 0.00 C ATOM 0 H VAL A 98 -42.936 -35.868 66.597 1.00 0.00 H new ATOM 0 HA VAL A 98 -45.627 -36.749 65.526 1.00 0.00 H new ATOM 0 HB VAL A 98 -43.176 -38.484 66.032 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -44.681 -40.221 65.054 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -45.421 -39.515 66.510 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -45.978 -39.013 64.896 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -43.224 -38.767 63.573 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -44.586 -37.627 63.460 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -42.988 -37.055 63.994 1.00 0.00 H new ATOM 1506 N PHE A 99 -46.279 -37.238 67.876 1.00 0.00 N ATOM 1507 CA PHE A 99 -46.725 -37.465 69.290 1.00 0.00 C ATOM 1508 C PHE A 99 -47.560 -38.740 69.429 1.00 0.00 C ATOM 1509 O PHE A 99 -48.137 -39.239 68.484 1.00 0.00 O ATOM 1510 CB PHE A 99 -47.602 -36.306 69.769 1.00 0.00 C ATOM 1511 CG PHE A 99 -46.786 -35.044 70.032 1.00 0.00 C ATOM 1512 CD1 PHE A 99 -46.369 -34.245 68.994 1.00 0.00 C ATOM 1513 CD2 PHE A 99 -46.479 -34.687 71.331 1.00 0.00 C ATOM 1514 CE1 PHE A 99 -45.655 -33.101 69.260 1.00 0.00 C ATOM 1515 CE2 PHE A 99 -45.767 -33.541 71.598 1.00 0.00 C ATOM 1516 CZ PHE A 99 -45.352 -32.742 70.552 1.00 0.00 C ATOM 0 H PHE A 99 -47.040 -37.121 67.206 1.00 0.00 H new ATOM 0 HA PHE A 99 -45.816 -37.549 69.886 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -48.365 -36.095 69.020 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -48.123 -36.598 70.681 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -46.601 -34.515 67.974 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -46.802 -35.316 72.147 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -45.328 -32.476 68.443 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -45.535 -33.269 72.617 1.00 0.00 H new ATOM 0 HZ PHE A 99 -44.792 -31.839 70.747 1.00 0.00 H new ATOM 1526 N ASP A 100 -47.580 -39.218 70.643 1.00 0.00 N ATOM 1527 CA ASP A 100 -48.354 -40.445 71.001 1.00 0.00 C ATOM 1528 C ASP A 100 -49.160 -39.888 72.172 1.00 0.00 C ATOM 1529 O ASP A 100 -48.677 -39.892 73.287 1.00 0.00 O ATOM 1530 CB ASP A 100 -47.431 -41.555 71.477 1.00 0.00 C ATOM 1531 CG ASP A 100 -46.380 -41.838 70.402 1.00 0.00 C ATOM 1532 OD1 ASP A 100 -45.666 -40.902 70.083 1.00 0.00 O ATOM 1533 OD2 ASP A 100 -46.358 -42.977 69.966 1.00 0.00 O ATOM 0 H ASP A 100 -47.078 -38.798 71.425 1.00 0.00 H new ATOM 0 HA ASP A 100 -48.932 -40.886 70.188 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -46.945 -41.265 72.409 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -48.006 -42.457 71.685 1.00 0.00 H new ATOM 1538 N VAL A 101 -50.364 -39.419 71.932 1.00 0.00 N ATOM 1539 CA VAL A 101 -51.179 -38.844 73.065 1.00 0.00 C ATOM 1540 C VAL A 101 -52.340 -39.710 73.518 1.00 0.00 C ATOM 1541 O VAL A 101 -52.903 -40.496 72.783 1.00 0.00 O ATOM 1542 CB VAL A 101 -51.759 -37.480 72.646 1.00 0.00 C ATOM 1543 CG1 VAL A 101 -52.390 -36.741 73.851 1.00 0.00 C ATOM 1544 CG2 VAL A 101 -50.697 -36.622 71.978 1.00 0.00 C ATOM 0 H VAL A 101 -50.816 -39.407 71.018 1.00 0.00 H new ATOM 0 HA VAL A 101 -50.484 -38.768 73.901 1.00 0.00 H new ATOM 0 HB VAL A 101 -52.551 -37.666 71.921 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -52.790 -35.782 73.521 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -53.195 -37.346 74.268 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -51.630 -36.574 74.614 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -51.131 -35.664 71.691 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -49.874 -36.454 72.673 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -50.323 -37.132 71.090 1.00 0.00 H new ATOM 1554 N GLU A 102 -52.643 -39.501 74.770 1.00 0.00 N ATOM 1555 CA GLU A 102 -53.748 -40.209 75.466 1.00 0.00 C ATOM 1556 C GLU A 102 -54.625 -39.125 76.096 1.00 0.00 C ATOM 1557 O GLU A 102 -54.269 -38.601 77.133 1.00 0.00 O ATOM 1558 CB GLU A 102 -53.161 -41.117 76.545 1.00 0.00 C ATOM 1559 CG GLU A 102 -54.306 -41.855 77.248 1.00 0.00 C ATOM 1560 CD GLU A 102 -53.734 -42.776 78.330 1.00 0.00 C ATOM 1561 OE1 GLU A 102 -52.521 -42.784 78.464 1.00 0.00 O ATOM 1562 OE2 GLU A 102 -54.551 -43.424 78.965 1.00 0.00 O ATOM 0 H GLU A 102 -52.144 -38.837 75.362 1.00 0.00 H new ATOM 0 HA GLU A 102 -54.330 -40.829 74.784 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -52.468 -41.832 76.101 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -52.593 -40.528 77.265 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -54.995 -41.138 77.694 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -54.876 -42.437 76.524 1.00 0.00 H new ATOM 1569 N LEU A 103 -55.738 -38.782 75.493 1.00 0.00 N ATOM 1570 CA LEU A 103 -56.575 -37.715 76.145 1.00 0.00 C ATOM 1571 C LEU A 103 -57.186 -38.448 77.326 1.00 0.00 C ATOM 1572 O LEU A 103 -57.824 -39.473 77.170 1.00 0.00 O ATOM 1573 CB LEU A 103 -57.674 -37.220 75.171 1.00 0.00 C ATOM 1574 CG LEU A 103 -58.723 -36.300 75.881 1.00 0.00 C ATOM 1575 CD1 LEU A 103 -58.095 -34.971 76.407 1.00 0.00 C ATOM 1576 CD2 LEU A 103 -59.819 -35.952 74.856 1.00 0.00 C ATOM 0 H LEU A 103 -56.095 -39.170 74.620 1.00 0.00 H new ATOM 0 HA LEU A 103 -56.011 -36.828 76.434 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -57.210 -36.673 74.350 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -58.183 -38.079 74.734 1.00 0.00 H new ATOM 0 HG LEU A 103 -59.120 -36.839 76.741 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -58.866 -34.371 76.890 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -57.309 -35.200 77.127 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -57.671 -34.413 75.572 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -60.565 -35.310 75.325 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -59.373 -35.431 74.009 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -60.296 -36.868 74.508 1.00 0.00 H new ATOM 1588 N LEU A 104 -56.982 -37.894 78.494 1.00 0.00 N ATOM 1589 CA LEU A 104 -57.514 -38.526 79.740 1.00 0.00 C ATOM 1590 C LEU A 104 -58.867 -37.977 80.145 1.00 0.00 C ATOM 1591 O LEU A 104 -59.836 -38.703 80.236 1.00 0.00 O ATOM 1592 CB LEU A 104 -56.511 -38.288 80.863 1.00 0.00 C ATOM 1593 CG LEU A 104 -55.107 -38.793 80.428 1.00 0.00 C ATOM 1594 CD1 LEU A 104 -54.042 -38.104 81.246 1.00 0.00 C ATOM 1595 CD2 LEU A 104 -54.967 -40.304 80.669 1.00 0.00 C ATOM 0 H LEU A 104 -56.467 -37.026 78.639 1.00 0.00 H new ATOM 0 HA LEU A 104 -57.651 -39.590 79.547 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -56.467 -37.226 81.105 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -56.831 -38.808 81.766 1.00 0.00 H new ATOM 0 HG LEU A 104 -54.991 -38.574 79.367 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -53.059 -38.461 80.938 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -54.103 -37.027 81.089 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -54.194 -38.326 82.302 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -53.976 -40.632 80.356 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -55.102 -40.517 81.729 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -55.724 -40.836 80.093 1.00 0.00 H new ATOM 1607 N LYS A 105 -58.909 -36.695 80.385 1.00 0.00 N ATOM 1608 CA LYS A 105 -60.175 -36.040 80.791 1.00 0.00 C ATOM 1609 C LYS A 105 -60.195 -34.541 80.498 1.00 0.00 C ATOM 1610 O LYS A 105 -59.253 -33.994 79.960 1.00 0.00 O ATOM 1611 CB LYS A 105 -60.405 -36.336 82.300 1.00 0.00 C ATOM 1612 CG LYS A 105 -59.167 -36.001 83.142 1.00 0.00 C ATOM 1613 CD LYS A 105 -59.290 -36.614 84.553 1.00 0.00 C ATOM 1614 CE LYS A 105 -60.520 -36.079 85.294 1.00 0.00 C ATOM 1615 NZ LYS A 105 -60.488 -34.592 85.311 1.00 0.00 N ATOM 0 H LYS A 105 -58.107 -36.069 80.315 1.00 0.00 H new ATOM 0 HA LYS A 105 -60.991 -36.451 80.197 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -61.256 -35.757 82.658 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -60.659 -37.388 82.429 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -58.272 -36.382 82.650 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -59.053 -34.920 83.218 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -59.355 -37.699 84.475 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -58.392 -36.389 85.128 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -61.430 -36.427 84.806 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -60.538 -36.464 86.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -61.178 -34.238 86.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -59.535 -34.268 85.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -60.728 -34.229 84.367 1.00 0.00 H new ATOM 1629 N LEU A 106 -61.281 -33.901 80.863 1.00 0.00 N ATOM 1630 CA LEU A 106 -61.444 -32.424 80.626 1.00 0.00 C ATOM 1631 C LEU A 106 -61.504 -31.616 81.921 1.00 0.00 C ATOM 1632 O LEU A 106 -62.541 -31.106 82.296 1.00 0.00 O ATOM 1633 CB LEU A 106 -62.732 -32.197 79.848 1.00 0.00 C ATOM 1634 CG LEU A 106 -62.853 -33.196 78.693 1.00 0.00 C ATOM 1635 CD1 LEU A 106 -64.149 -32.902 77.937 1.00 0.00 C ATOM 1636 CD2 LEU A 106 -61.659 -33.116 77.728 1.00 0.00 C ATOM 0 H LEU A 106 -62.076 -34.344 81.323 1.00 0.00 H new ATOM 0 HA LEU A 106 -60.570 -32.083 80.071 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -63.588 -32.300 80.515 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -62.752 -31.179 79.458 1.00 0.00 H new ATOM 0 HG LEU A 106 -62.862 -34.204 79.107 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -64.254 -33.603 77.109 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -64.997 -33.009 78.613 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -64.121 -31.884 77.549 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -61.790 -33.843 76.926 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -61.601 -32.114 77.303 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -60.738 -33.335 78.269 1.00 0.00 H new ATOM 1648 N GLU A 107 -60.380 -31.519 82.573 1.00 0.00 N ATOM 1649 CA GLU A 107 -60.298 -30.752 83.862 1.00 0.00 C ATOM 1650 C GLU A 107 -59.004 -29.932 83.893 1.00 0.00 C ATOM 1651 O GLU A 107 -58.184 -30.198 83.031 1.00 0.00 O ATOM 1652 CB GLU A 107 -60.343 -31.762 85.012 1.00 0.00 C ATOM 1653 CG GLU A 107 -60.337 -31.024 86.353 1.00 0.00 C ATOM 1654 CD GLU A 107 -60.584 -32.041 87.470 1.00 0.00 C ATOM 1655 OE1 GLU A 107 -61.636 -32.657 87.414 1.00 0.00 O ATOM 1656 OE2 GLU A 107 -59.706 -32.143 88.312 1.00 0.00 O ATOM 1657 OXT GLU A 107 -58.905 -29.089 84.769 1.00 0.00 O ATOM 0 H GLU A 107 -59.502 -31.940 82.270 1.00 0.00 H new ATOM 0 HA GLU A 107 -61.131 -30.056 83.957 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -61.238 -32.379 84.931 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -59.486 -32.433 84.952 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -59.382 -30.521 86.504 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -61.108 -30.254 86.365 1.00 0.00 H new