USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=17 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 6 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 67 SER OG : rot 180:sc= -0.0697 USER MOD Set 1.3: A 70 GLN : amide:sc= -0.933 K(o=-1,f=-0.38) USER MOD Set 2.1: A 21 THR OG1 : rot 93:sc= 0.153 USER MOD Set 2.2: A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= -1.28! K(o=-1.3!,f=0) 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+ 146:sc= -0.102 (180deg=-0.633) USER MOD Single : A 20 GLN : amide:sc= -1.4! K(o=-1.4!,f=0) USER MOD Single : A 22 CYS SG : rot 140:sc= -0.132 USER MOD Single : A 25 HIS : no HD1:sc= -0.383 K(o=-0.38,f=-1.3) 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+ 158:sc= -0.12 (180deg=-0.803) USER MOD Single : A 52 LYS NZ :NH3+ 159:sc= -0.0901 (180deg=-0.644) USER MOD Single : A 53 GLN : amide:sc= -0.251 X(o=-0.25,f=-0.25) USER MOD Single : A 65 GLN : amide:sc= -3.14! K(o=-3.1!,f=-0.91) USER MOD Single : A 66 MET CE :methyl 157:sc= -0.857 (180deg=-2.86) USER MOD Single : A 73 LYS NZ :NH3+ 168:sc= -0.319 (180deg=-0.755) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= -1.94! USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 43:sc= 0.49 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 10 N VAL A 2 -52.409 -31.723 59.877 1.00 0.00 N ATOM 11 CA VAL A 2 -52.045 -32.671 60.983 1.00 0.00 C ATOM 12 C VAL A 2 -52.829 -33.949 60.725 1.00 0.00 C ATOM 13 O VAL A 2 -53.907 -33.914 60.166 1.00 0.00 O ATOM 14 CB VAL A 2 -52.456 -32.064 62.333 1.00 0.00 C ATOM 15 CG1 VAL A 2 -53.943 -31.672 62.277 1.00 0.00 C ATOM 16 CG2 VAL A 2 -52.312 -33.103 63.478 1.00 0.00 C ATOM 0 HA VAL A 2 -50.973 -32.866 61.012 1.00 0.00 H new ATOM 0 HB VAL A 2 -51.813 -31.205 62.522 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -54.242 -31.240 63.232 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -54.097 -30.940 61.484 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -54.545 -32.558 62.075 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -52.609 -32.647 64.422 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -52.951 -33.962 63.272 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -51.274 -33.430 63.544 1.00 0.00 H new ATOM 26 N GLN A 3 -52.280 -35.062 61.132 1.00 0.00 N ATOM 27 CA GLN A 3 -52.977 -36.373 60.927 1.00 0.00 C ATOM 28 C GLN A 3 -53.188 -36.992 62.296 1.00 0.00 C ATOM 29 O GLN A 3 -52.410 -36.782 63.205 1.00 0.00 O ATOM 30 CB GLN A 3 -52.100 -37.280 60.075 1.00 0.00 C ATOM 31 CG GLN A 3 -51.854 -36.592 58.734 1.00 0.00 C ATOM 32 CD GLN A 3 -50.951 -37.481 57.874 1.00 0.00 C ATOM 33 OE1 GLN A 3 -50.615 -37.146 56.756 1.00 0.00 O ATOM 34 NE2 GLN A 3 -50.538 -38.619 58.360 1.00 0.00 N ATOM 0 H GLN A 3 -51.376 -35.124 61.600 1.00 0.00 H new ATOM 0 HA GLN A 3 -53.932 -36.236 60.419 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -51.154 -37.476 60.580 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -52.586 -38.244 59.923 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -52.801 -36.412 58.224 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -51.386 -35.620 58.890 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -50.818 -38.904 59.298 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -49.935 -39.223 57.802 1.00 0.00 H new ATOM 43 N VAL A 4 -54.247 -37.748 62.403 1.00 0.00 N ATOM 44 CA VAL A 4 -54.603 -38.435 63.685 1.00 0.00 C ATOM 45 C VAL A 4 -54.759 -39.928 63.390 1.00 0.00 C ATOM 46 O VAL A 4 -55.684 -40.338 62.717 1.00 0.00 O ATOM 47 CB VAL A 4 -55.923 -37.873 64.207 1.00 0.00 C ATOM 48 CG1 VAL A 4 -56.271 -38.545 65.540 1.00 0.00 C ATOM 49 CG2 VAL A 4 -55.755 -36.381 64.446 1.00 0.00 C ATOM 0 H VAL A 4 -54.898 -37.924 61.638 1.00 0.00 H new ATOM 0 HA VAL A 4 -53.829 -38.277 64.436 1.00 0.00 H new ATOM 0 HB VAL A 4 -56.715 -38.058 63.482 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -57.213 -38.145 65.914 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -56.367 -39.620 65.391 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -55.480 -38.348 66.264 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -56.691 -35.965 64.819 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -54.966 -36.217 65.180 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -55.488 -35.890 63.510 1.00 0.00 H new ATOM 59 N GLU A 5 -53.850 -40.710 63.901 1.00 0.00 N ATOM 60 CA GLU A 5 -53.887 -42.195 63.689 1.00 0.00 C ATOM 61 C GLU A 5 -54.245 -42.812 65.038 1.00 0.00 C ATOM 62 O GLU A 5 -53.399 -43.005 65.888 1.00 0.00 O ATOM 63 CB GLU A 5 -52.509 -42.661 63.229 1.00 0.00 C ATOM 64 CG GLU A 5 -52.197 -42.005 61.881 1.00 0.00 C ATOM 65 CD GLU A 5 -50.807 -42.449 61.423 1.00 0.00 C ATOM 66 OE1 GLU A 5 -49.879 -42.165 62.164 1.00 0.00 O ATOM 67 OE2 GLU A 5 -50.753 -43.046 60.361 1.00 0.00 O ATOM 0 H GLU A 5 -53.067 -40.383 64.467 1.00 0.00 H new ATOM 0 HA GLU A 5 -54.613 -42.488 62.931 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -51.753 -42.390 63.966 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -52.488 -43.747 63.135 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -52.946 -42.289 61.142 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -52.235 -40.920 61.972 1.00 0.00 H new ATOM 74 N THR A 6 -55.506 -43.111 65.199 1.00 0.00 N ATOM 75 CA THR A 6 -55.943 -43.709 66.488 1.00 0.00 C ATOM 76 C THR A 6 -55.435 -45.136 66.673 1.00 0.00 C ATOM 77 O THR A 6 -55.147 -45.847 65.730 1.00 0.00 O ATOM 78 CB THR A 6 -57.475 -43.689 66.531 1.00 0.00 C ATOM 79 OG1 THR A 6 -57.808 -42.314 66.395 1.00 0.00 O ATOM 80 CG2 THR A 6 -57.997 -44.055 67.926 1.00 0.00 C ATOM 0 H THR A 6 -56.240 -42.969 64.505 1.00 0.00 H new ATOM 0 HA THR A 6 -55.520 -43.120 67.302 1.00 0.00 H new ATOM 0 HB THR A 6 -57.880 -44.371 65.783 1.00 0.00 H new ATOM 0 HG1 THR A 6 -58.782 -42.210 66.411 1.00 0.00 H new ATOM 0 HG21 THR A 6 -59.087 -44.032 67.924 1.00 0.00 H new ATOM 0 HG22 THR A 6 -57.656 -45.056 68.191 1.00 0.00 H new ATOM 0 HG23 THR A 6 -57.620 -43.338 68.655 1.00 0.00 H new ATOM 88 N ILE A 7 -55.346 -45.499 67.925 1.00 0.00 N ATOM 89 CA ILE A 7 -54.870 -46.855 68.339 1.00 0.00 C ATOM 90 C ILE A 7 -55.971 -47.476 69.194 1.00 0.00 C ATOM 91 O ILE A 7 -56.438 -48.566 68.930 1.00 0.00 O ATOM 92 CB ILE A 7 -53.579 -46.709 69.163 1.00 0.00 C ATOM 93 CG1 ILE A 7 -52.528 -46.000 68.278 1.00 0.00 C ATOM 94 CG2 ILE A 7 -53.084 -48.129 69.531 1.00 0.00 C ATOM 95 CD1 ILE A 7 -51.348 -45.500 69.124 1.00 0.00 C ATOM 0 H ILE A 7 -55.592 -44.890 68.706 1.00 0.00 H new ATOM 0 HA ILE A 7 -54.658 -47.483 67.474 1.00 0.00 H new ATOM 0 HB ILE A 7 -53.746 -46.131 70.072 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -52.167 -46.688 67.513 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -52.990 -45.160 67.759 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -52.168 -48.055 70.117 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -53.848 -48.640 70.116 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -52.887 -48.693 68.619 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -50.622 -45.005 68.479 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -51.710 -44.794 69.872 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -50.874 -46.345 69.622 1.00 0.00 H new ATOM 107 N SER A 8 -56.359 -46.748 70.213 1.00 0.00 N ATOM 108 CA SER A 8 -57.435 -47.231 71.149 1.00 0.00 C ATOM 109 C SER A 8 -58.594 -46.229 71.237 1.00 0.00 C ATOM 110 O SER A 8 -58.618 -45.431 72.151 1.00 0.00 O ATOM 111 CB SER A 8 -56.840 -47.423 72.542 1.00 0.00 C ATOM 112 OG SER A 8 -55.781 -48.344 72.330 1.00 0.00 O ATOM 0 H SER A 8 -55.976 -45.831 70.442 1.00 0.00 H new ATOM 0 HA SER A 8 -57.823 -48.173 70.762 1.00 0.00 H new ATOM 0 HB2 SER A 8 -56.476 -46.482 72.955 1.00 0.00 H new ATOM 0 HB3 SER A 8 -57.578 -47.815 73.242 1.00 0.00 H new ATOM 0 HG SER A 8 -55.333 -48.529 73.182 1.00 0.00 H new ATOM 118 N PRO A 9 -59.517 -46.274 70.308 1.00 0.00 N ATOM 119 CA PRO A 9 -60.689 -45.363 70.303 1.00 0.00 C ATOM 120 C PRO A 9 -61.210 -45.049 71.713 1.00 0.00 C ATOM 121 O PRO A 9 -60.904 -45.738 72.666 1.00 0.00 O ATOM 122 CB PRO A 9 -61.676 -46.094 69.405 1.00 0.00 C ATOM 123 CG PRO A 9 -60.730 -46.677 68.326 1.00 0.00 C ATOM 124 CD PRO A 9 -59.547 -47.218 69.156 1.00 0.00 C ATOM 0 HA PRO A 9 -60.466 -44.363 69.931 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -62.219 -46.873 69.940 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -62.420 -45.421 68.979 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -61.213 -47.466 67.750 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -60.409 -45.915 67.616 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -59.711 -48.247 69.476 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -58.614 -47.204 68.593 1.00 0.00 H new ATOM 132 N GLY A 10 -61.998 -44.010 71.812 1.00 0.00 N ATOM 133 CA GLY A 10 -62.583 -43.587 73.129 1.00 0.00 C ATOM 134 C GLY A 10 -64.104 -43.662 73.012 1.00 0.00 C ATOM 135 O GLY A 10 -64.614 -44.157 72.027 1.00 0.00 O ATOM 0 H GLY A 10 -62.268 -43.423 71.023 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -62.229 -44.236 73.930 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -62.269 -42.573 73.378 1.00 0.00 H new ATOM 139 N ASP A 11 -64.797 -43.178 74.010 1.00 0.00 N ATOM 140 CA ASP A 11 -66.284 -43.218 73.968 1.00 0.00 C ATOM 141 C ASP A 11 -66.845 -42.907 72.576 1.00 0.00 C ATOM 142 O ASP A 11 -67.648 -43.654 72.051 1.00 0.00 O ATOM 143 CB ASP A 11 -66.813 -42.216 75.013 1.00 0.00 C ATOM 144 CG ASP A 11 -66.112 -40.862 74.869 1.00 0.00 C ATOM 145 OD1 ASP A 11 -66.318 -40.241 73.841 1.00 0.00 O ATOM 146 OD2 ASP A 11 -65.406 -40.528 75.806 1.00 0.00 O ATOM 0 H ASP A 11 -64.396 -42.758 74.849 1.00 0.00 H new ATOM 0 HA ASP A 11 -66.617 -44.229 74.200 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -67.889 -42.089 74.890 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -66.651 -42.610 76.016 1.00 0.00 H new ATOM 151 N GLY A 12 -66.417 -41.814 72.000 1.00 0.00 N ATOM 152 CA GLY A 12 -66.907 -41.424 70.640 1.00 0.00 C ATOM 153 C GLY A 12 -67.975 -40.344 70.795 1.00 0.00 C ATOM 154 O GLY A 12 -68.516 -39.847 69.828 1.00 0.00 O ATOM 0 H GLY A 12 -65.744 -41.169 72.415 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -66.081 -41.054 70.033 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -67.319 -42.291 70.124 1.00 0.00 H new ATOM 158 N ARG A 13 -68.251 -40.010 72.031 1.00 0.00 N ATOM 159 CA ARG A 13 -69.280 -38.970 72.362 1.00 0.00 C ATOM 160 C ARG A 13 -68.713 -37.756 73.104 1.00 0.00 C ATOM 161 O ARG A 13 -69.149 -36.649 72.856 1.00 0.00 O ATOM 162 CB ARG A 13 -70.365 -39.628 73.213 1.00 0.00 C ATOM 163 CG ARG A 13 -71.023 -40.723 72.370 1.00 0.00 C ATOM 164 CD ARG A 13 -72.137 -41.383 73.187 1.00 0.00 C ATOM 165 NE ARG A 13 -72.787 -42.420 72.320 1.00 0.00 N ATOM 166 CZ ARG A 13 -72.807 -43.684 72.660 1.00 0.00 C ATOM 167 NH1 ARG A 13 -73.470 -44.039 73.727 1.00 0.00 N ATOM 168 NH2 ARG A 13 -72.163 -44.547 71.923 1.00 0.00 N ATOM 0 H ARG A 13 -67.796 -40.423 72.845 1.00 0.00 H new ATOM 0 HA ARG A 13 -69.677 -38.590 71.421 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -69.934 -40.052 74.120 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -71.104 -38.891 73.526 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -71.431 -40.298 71.453 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -70.282 -41.466 72.075 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -71.730 -41.840 74.089 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -72.867 -40.640 73.507 1.00 0.00 H new ATOM 0 HE ARG A 13 -73.224 -42.133 71.444 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -73.961 -43.336 74.280 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -73.497 -45.019 74.008 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -71.654 -44.233 71.096 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -72.168 -45.536 72.173 1.00 0.00 H new ATOM 182 N THR A 14 -67.763 -37.943 73.992 1.00 0.00 N ATOM 183 CA THR A 14 -67.194 -36.767 74.738 1.00 0.00 C ATOM 184 C THR A 14 -65.813 -36.384 74.220 1.00 0.00 C ATOM 185 O THR A 14 -64.927 -37.208 74.111 1.00 0.00 O ATOM 186 CB THR A 14 -67.069 -37.122 76.203 1.00 0.00 C ATOM 187 OG1 THR A 14 -68.368 -37.550 76.582 1.00 0.00 O ATOM 188 CG2 THR A 14 -66.818 -35.876 77.058 1.00 0.00 C ATOM 0 H THR A 14 -67.359 -38.848 74.232 1.00 0.00 H new ATOM 0 HA THR A 14 -67.868 -35.923 74.592 1.00 0.00 H new ATOM 0 HB THR A 14 -66.263 -37.843 76.341 1.00 0.00 H new ATOM 0 HG1 THR A 14 -68.366 -37.801 77.529 1.00 0.00 H new ATOM 0 HG21 THR A 14 -66.733 -36.165 78.106 1.00 0.00 H new ATOM 0 HG22 THR A 14 -65.894 -35.395 76.738 1.00 0.00 H new ATOM 0 HG23 THR A 14 -67.649 -35.180 76.940 1.00 0.00 H new ATOM 196 N PHE A 15 -65.668 -35.119 73.908 1.00 0.00 N ATOM 197 CA PHE A 15 -64.372 -34.568 73.386 1.00 0.00 C ATOM 198 C PHE A 15 -64.023 -33.334 74.237 1.00 0.00 C ATOM 199 O PHE A 15 -64.846 -32.928 75.033 1.00 0.00 O ATOM 200 CB PHE A 15 -64.556 -34.157 71.928 1.00 0.00 C ATOM 201 CG PHE A 15 -64.931 -35.380 71.087 1.00 0.00 C ATOM 202 CD1 PHE A 15 -66.189 -35.941 71.192 1.00 0.00 C ATOM 203 CD2 PHE A 15 -64.017 -35.929 70.210 1.00 0.00 C ATOM 204 CE1 PHE A 15 -66.528 -37.039 70.429 1.00 0.00 C ATOM 205 CE2 PHE A 15 -64.353 -37.025 69.444 1.00 0.00 C ATOM 206 CZ PHE A 15 -65.610 -37.582 69.554 1.00 0.00 C ATOM 0 H PHE A 15 -66.411 -34.426 73.995 1.00 0.00 H new ATOM 0 HA PHE A 15 -63.575 -35.310 73.444 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -65.335 -33.398 71.850 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -63.637 -33.711 71.548 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -66.911 -35.518 71.875 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -63.031 -35.497 70.123 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -67.513 -37.474 70.517 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -63.633 -37.447 68.759 1.00 0.00 H new ATOM 0 HZ PHE A 15 -65.875 -38.442 68.956 1.00 0.00 H new ATOM 216 N PRO A 16 -62.858 -32.745 74.090 1.00 0.00 N ATOM 217 CA PRO A 16 -62.602 -31.407 74.684 1.00 0.00 C ATOM 218 C PRO A 16 -63.526 -30.355 74.057 1.00 0.00 C ATOM 219 O PRO A 16 -63.607 -30.250 72.850 1.00 0.00 O ATOM 220 CB PRO A 16 -61.119 -31.142 74.405 1.00 0.00 C ATOM 221 CG PRO A 16 -60.539 -32.562 74.211 1.00 0.00 C ATOM 222 CD PRO A 16 -61.639 -33.256 73.393 1.00 0.00 C ATOM 0 HA PRO A 16 -62.811 -31.362 75.753 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -60.980 -30.525 73.517 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -60.640 -30.621 75.234 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -59.587 -32.544 73.680 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -60.363 -33.063 75.163 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -61.614 -32.974 72.341 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -61.563 -34.343 73.433 1.00 0.00 H new ATOM 230 N LYS A 17 -64.209 -29.594 74.876 1.00 0.00 N ATOM 231 CA LYS A 17 -65.132 -28.542 74.381 1.00 0.00 C ATOM 232 C LYS A 17 -64.672 -27.158 74.848 1.00 0.00 C ATOM 233 O LYS A 17 -63.825 -27.011 75.710 1.00 0.00 O ATOM 234 CB LYS A 17 -66.487 -28.853 74.925 1.00 0.00 C ATOM 235 CG LYS A 17 -66.935 -30.216 74.370 1.00 0.00 C ATOM 236 CD LYS A 17 -68.278 -30.661 74.986 1.00 0.00 C ATOM 237 CE LYS A 17 -69.419 -29.718 74.575 1.00 0.00 C ATOM 238 NZ LYS A 17 -69.476 -29.599 73.091 1.00 0.00 N ATOM 0 H LYS A 17 -64.159 -29.665 75.892 1.00 0.00 H new ATOM 0 HA LYS A 17 -65.148 -28.528 73.291 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -66.461 -28.878 76.014 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -67.197 -28.076 74.640 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -67.033 -30.155 73.286 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -66.171 -30.965 74.579 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -68.509 -31.677 74.665 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -68.193 -30.681 76.073 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -70.368 -30.097 74.954 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -69.267 -28.735 75.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -70.465 -29.490 72.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -68.928 -28.769 72.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -69.075 -30.455 72.658 1.00 0.00 H new ATOM 252 N ARG A 18 -65.274 -26.167 74.251 1.00 0.00 N ATOM 253 CA ARG A 18 -64.944 -24.765 74.582 1.00 0.00 C ATOM 254 C ARG A 18 -65.423 -24.444 75.995 1.00 0.00 C ATOM 255 O ARG A 18 -66.590 -24.592 76.302 1.00 0.00 O ATOM 256 CB ARG A 18 -65.641 -23.827 73.575 1.00 0.00 C ATOM 257 CG ARG A 18 -65.257 -22.344 73.810 1.00 0.00 C ATOM 258 CD ARG A 18 -63.865 -22.045 73.233 1.00 0.00 C ATOM 259 NE ARG A 18 -63.941 -22.245 71.749 1.00 0.00 N ATOM 260 CZ ARG A 18 -63.206 -23.138 71.139 1.00 0.00 C ATOM 261 NH1 ARG A 18 -63.142 -24.345 71.627 1.00 0.00 N ATOM 262 NH2 ARG A 18 -62.560 -22.793 70.058 1.00 0.00 N ATOM 0 H ARG A 18 -65.993 -26.278 73.536 1.00 0.00 H new ATOM 0 HA ARG A 18 -63.865 -24.623 74.528 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -65.369 -24.117 72.560 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -66.722 -23.941 73.660 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -65.997 -21.693 73.344 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -65.268 -22.125 74.878 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -63.564 -21.024 73.468 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -63.118 -22.706 73.671 1.00 0.00 H new ATOM 0 HE ARG A 18 -64.582 -21.670 71.202 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -63.661 -24.581 72.473 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -62.573 -25.053 71.163 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -62.633 -21.840 69.702 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -61.982 -23.477 69.569 1.00 0.00 H new ATOM 276 N GLY A 19 -64.521 -24.006 76.834 1.00 0.00 N ATOM 277 CA GLY A 19 -64.901 -23.662 78.243 1.00 0.00 C ATOM 278 C GLY A 19 -64.239 -24.616 79.232 1.00 0.00 C ATOM 279 O GLY A 19 -64.131 -24.305 80.402 1.00 0.00 O ATOM 0 H GLY A 19 -63.536 -23.870 76.607 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -64.603 -22.637 78.465 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -65.984 -23.710 78.354 1.00 0.00 H new ATOM 283 N GLN A 20 -63.804 -25.760 78.761 1.00 0.00 N ATOM 284 CA GLN A 20 -63.144 -26.754 79.682 1.00 0.00 C ATOM 285 C GLN A 20 -61.653 -26.931 79.384 1.00 0.00 C ATOM 286 O GLN A 20 -61.111 -26.343 78.471 1.00 0.00 O ATOM 287 CB GLN A 20 -63.857 -28.096 79.530 1.00 0.00 C ATOM 288 CG GLN A 20 -65.326 -27.910 79.918 1.00 0.00 C ATOM 289 CD GLN A 20 -66.050 -29.251 79.790 1.00 0.00 C ATOM 290 OE1 GLN A 20 -67.234 -29.359 80.044 1.00 0.00 O ATOM 291 NE2 GLN A 20 -65.376 -30.298 79.400 1.00 0.00 N ATOM 0 H GLN A 20 -63.874 -26.052 77.786 1.00 0.00 H new ATOM 0 HA GLN A 20 -63.222 -26.377 80.702 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -63.778 -28.453 78.503 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -63.389 -28.848 80.166 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -65.401 -27.538 80.940 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -65.794 -27.167 79.273 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -64.382 -30.214 79.185 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -65.843 -31.200 79.310 1.00 0.00 H new ATOM 300 N THR A 21 -61.036 -27.758 80.188 1.00 0.00 N ATOM 301 CA THR A 21 -59.577 -28.051 80.044 1.00 0.00 C ATOM 302 C THR A 21 -59.463 -29.497 79.572 1.00 0.00 C ATOM 303 O THR A 21 -60.421 -30.241 79.611 1.00 0.00 O ATOM 304 CB THR A 21 -58.904 -27.878 81.403 1.00 0.00 C ATOM 305 OG1 THR A 21 -59.267 -26.562 81.794 1.00 0.00 O ATOM 306 CG2 THR A 21 -57.381 -27.811 81.274 1.00 0.00 C ATOM 0 H THR A 21 -61.492 -28.253 80.955 1.00 0.00 H new ATOM 0 HA THR A 21 -59.094 -27.381 79.333 1.00 0.00 H new ATOM 0 HB THR A 21 -59.188 -28.693 82.068 1.00 0.00 H new ATOM 0 HG1 THR A 21 -60.083 -26.595 82.335 1.00 0.00 H new ATOM 0 HG21 THR A 21 -56.937 -27.688 82.262 1.00 0.00 H new ATOM 0 HG22 THR A 21 -57.013 -28.733 80.824 1.00 0.00 H new ATOM 0 HG23 THR A 21 -57.106 -26.965 80.645 1.00 0.00 H new ATOM 314 N CYS A 22 -58.286 -29.845 79.140 1.00 0.00 N ATOM 315 CA CYS A 22 -57.998 -31.217 78.643 1.00 0.00 C ATOM 316 C CYS A 22 -56.925 -31.756 79.582 1.00 0.00 C ATOM 317 O CYS A 22 -56.104 -31.011 80.074 1.00 0.00 O ATOM 318 CB CYS A 22 -57.485 -31.086 77.206 1.00 0.00 C ATOM 319 SG CYS A 22 -58.294 -29.800 76.227 1.00 0.00 S ATOM 0 H CYS A 22 -57.485 -29.214 79.110 1.00 0.00 H new ATOM 0 HA CYS A 22 -58.860 -31.884 78.631 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -56.415 -30.882 77.234 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -57.614 -32.043 76.700 1.00 0.00 H new ATOM 0 HG CYS A 22 -57.410 -29.193 75.493 1.00 0.00 H new ATOM 325 N VAL A 23 -56.955 -33.035 79.816 1.00 0.00 N ATOM 326 CA VAL A 23 -55.952 -33.688 80.713 1.00 0.00 C ATOM 327 C VAL A 23 -55.353 -34.733 79.795 1.00 0.00 C ATOM 328 O VAL A 23 -55.948 -35.770 79.582 1.00 0.00 O ATOM 329 CB VAL A 23 -56.681 -34.309 81.902 1.00 0.00 C ATOM 330 CG1 VAL A 23 -55.679 -34.988 82.819 1.00 0.00 C ATOM 331 CG2 VAL A 23 -57.311 -33.167 82.684 1.00 0.00 C ATOM 0 H VAL A 23 -57.644 -33.672 79.418 1.00 0.00 H new ATOM 0 HA VAL A 23 -55.198 -33.027 81.141 1.00 0.00 H new ATOM 0 HB VAL A 23 -57.418 -35.033 81.556 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -56.203 -35.430 83.667 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -55.154 -35.769 82.269 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -54.960 -34.253 83.180 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -57.845 -33.567 83.546 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -56.531 -32.485 83.024 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -58.009 -32.629 82.043 1.00 0.00 H new ATOM 341 N VAL A 24 -54.189 -34.419 79.268 1.00 0.00 N ATOM 342 CA VAL A 24 -53.468 -35.346 78.326 1.00 0.00 C ATOM 343 C VAL A 24 -52.076 -35.801 78.768 1.00 0.00 C ATOM 344 O VAL A 24 -51.333 -35.068 79.389 1.00 0.00 O ATOM 345 CB VAL A 24 -53.275 -34.653 76.957 1.00 0.00 C ATOM 346 CG1 VAL A 24 -54.568 -33.972 76.542 1.00 0.00 C ATOM 347 CG2 VAL A 24 -52.196 -33.499 76.983 1.00 0.00 C ATOM 0 H VAL A 24 -53.699 -33.544 79.454 1.00 0.00 H new ATOM 0 HA VAL A 24 -54.108 -36.228 78.292 1.00 0.00 H new ATOM 0 HB VAL A 24 -52.958 -35.444 76.277 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -54.429 -33.485 75.577 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -55.361 -34.715 76.462 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -54.843 -33.227 77.289 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -52.112 -33.057 75.990 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -52.499 -32.733 77.697 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -51.231 -33.910 77.280 1.00 0.00 H new ATOM 357 N HIS A 25 -51.785 -37.022 78.401 1.00 0.00 N ATOM 358 CA HIS A 25 -50.465 -37.665 78.713 1.00 0.00 C ATOM 359 C HIS A 25 -49.935 -38.012 77.336 1.00 0.00 C ATOM 360 O HIS A 25 -50.679 -38.415 76.465 1.00 0.00 O ATOM 361 CB HIS A 25 -50.621 -38.980 79.549 1.00 0.00 C ATOM 362 CG HIS A 25 -49.416 -39.929 79.365 1.00 0.00 C ATOM 363 ND1 HIS A 25 -48.170 -39.592 79.441 1.00 0.00 N ATOM 364 CD2 HIS A 25 -49.388 -41.283 79.082 1.00 0.00 C ATOM 365 CE1 HIS A 25 -47.425 -40.632 79.226 1.00 0.00 C ATOM 366 NE2 HIS A 25 -48.142 -41.705 78.999 1.00 0.00 N ATOM 0 H HIS A 25 -52.426 -37.622 77.881 1.00 0.00 H new ATOM 0 HA HIS A 25 -49.824 -37.013 79.306 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -50.726 -38.728 80.604 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -51.535 -39.493 79.251 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -50.261 -41.905 78.948 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -46.345 -40.615 79.233 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -47.812 -42.650 78.803 1.00 0.00 H new ATOM 374 N TYR A 26 -48.657 -37.850 77.158 1.00 0.00 N ATOM 375 CA TYR A 26 -48.079 -38.177 75.827 1.00 0.00 C ATOM 376 C TYR A 26 -46.573 -38.402 75.891 1.00 0.00 C ATOM 377 O TYR A 26 -45.936 -38.265 76.917 1.00 0.00 O ATOM 378 CB TYR A 26 -48.340 -37.047 74.892 1.00 0.00 C ATOM 379 CG TYR A 26 -47.669 -35.792 75.435 1.00 0.00 C ATOM 380 CD1 TYR A 26 -48.307 -35.021 76.379 1.00 0.00 C ATOM 381 CD2 TYR A 26 -46.419 -35.414 74.974 1.00 0.00 C ATOM 382 CE1 TYR A 26 -47.696 -33.884 76.843 1.00 0.00 C ATOM 383 CE2 TYR A 26 -45.816 -34.270 75.453 1.00 0.00 C ATOM 384 CZ TYR A 26 -46.453 -33.496 76.392 1.00 0.00 C ATOM 385 OH TYR A 26 -45.858 -32.349 76.878 1.00 0.00 O ATOM 0 H TYR A 26 -47.998 -37.513 77.860 1.00 0.00 H new ATOM 0 HA TYR A 26 -48.550 -39.098 75.484 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -47.954 -37.282 73.900 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -49.413 -36.885 74.786 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -49.279 -35.308 76.751 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -45.914 -36.018 74.235 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -48.202 -33.278 77.580 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -44.841 -33.982 75.089 1.00 0.00 H new ATOM 0 HH TYR A 26 -44.984 -32.228 76.452 1.00 0.00 H new ATOM 395 N THR A 27 -46.067 -38.750 74.745 1.00 0.00 N ATOM 396 CA THR A 27 -44.619 -39.004 74.567 1.00 0.00 C ATOM 397 C THR A 27 -44.351 -38.300 73.239 1.00 0.00 C ATOM 398 O THR A 27 -44.969 -38.622 72.241 1.00 0.00 O ATOM 399 CB THR A 27 -44.367 -40.483 74.443 1.00 0.00 C ATOM 400 OG1 THR A 27 -44.834 -41.026 75.669 1.00 0.00 O ATOM 401 CG2 THR A 27 -42.858 -40.734 74.461 1.00 0.00 C ATOM 0 H THR A 27 -46.620 -38.872 73.896 1.00 0.00 H new ATOM 0 HA THR A 27 -43.992 -38.658 75.389 1.00 0.00 H new ATOM 0 HB THR A 27 -44.827 -40.892 73.544 1.00 0.00 H new ATOM 0 HG1 THR A 27 -44.705 -41.997 75.667 1.00 0.00 H new ATOM 0 HG21 THR A 27 -42.666 -41.803 74.372 1.00 0.00 H new ATOM 0 HG22 THR A 27 -42.392 -40.211 73.626 1.00 0.00 H new ATOM 0 HG23 THR A 27 -42.439 -40.367 75.398 1.00 0.00 H new ATOM 409 N GLY A 28 -43.450 -37.355 73.237 1.00 0.00 N ATOM 410 CA GLY A 28 -43.128 -36.613 71.975 1.00 0.00 C ATOM 411 C GLY A 28 -41.734 -36.992 71.504 1.00 0.00 C ATOM 412 O GLY A 28 -40.741 -36.692 72.137 1.00 0.00 O ATOM 0 H GLY A 28 -42.919 -37.061 74.057 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -43.861 -36.851 71.204 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -43.185 -35.538 72.148 1.00 0.00 H new ATOM 416 N MET A 29 -41.710 -37.657 70.380 1.00 0.00 N ATOM 417 CA MET A 29 -40.432 -38.114 69.759 1.00 0.00 C ATOM 418 C MET A 29 -40.411 -37.496 68.358 1.00 0.00 C ATOM 419 O MET A 29 -41.370 -36.888 67.922 1.00 0.00 O ATOM 420 CB MET A 29 -40.457 -39.653 69.727 1.00 0.00 C ATOM 421 CG MET A 29 -39.099 -40.216 69.288 1.00 0.00 C ATOM 422 SD MET A 29 -38.878 -42.008 69.416 1.00 0.00 S ATOM 423 CE MET A 29 -38.227 -42.039 71.105 1.00 0.00 C ATOM 0 H MET A 29 -42.546 -37.909 69.852 1.00 0.00 H new ATOM 0 HA MET A 29 -39.536 -37.812 70.301 1.00 0.00 H new ATOM 0 HB2 MET A 29 -40.712 -40.037 70.715 1.00 0.00 H new ATOM 0 HB3 MET A 29 -41.234 -39.993 69.043 1.00 0.00 H new ATOM 0 HG2 MET A 29 -38.930 -39.926 68.251 1.00 0.00 H new ATOM 0 HG3 MET A 29 -38.323 -39.735 69.884 1.00 0.00 H new ATOM 0 HE1 MET A 29 -38.017 -43.068 71.395 1.00 0.00 H new ATOM 0 HE2 MET A 29 -37.308 -41.454 71.152 1.00 0.00 H new ATOM 0 HE3 MET A 29 -38.963 -41.613 71.787 1.00 0.00 H new ATOM 694 N PHE A 46 -50.029 -33.925 81.595 1.00 0.00 N ATOM 695 CA PHE A 46 -50.044 -32.522 81.086 1.00 0.00 C ATOM 696 C PHE A 46 -51.505 -32.026 80.948 1.00 0.00 C ATOM 697 O PHE A 46 -52.386 -32.823 80.689 1.00 0.00 O ATOM 698 CB PHE A 46 -49.339 -32.555 79.771 1.00 0.00 C ATOM 699 CG PHE A 46 -49.169 -31.145 79.252 1.00 0.00 C ATOM 700 CD1 PHE A 46 -48.261 -30.337 79.896 1.00 0.00 C ATOM 701 CD2 PHE A 46 -49.905 -30.663 78.198 1.00 0.00 C ATOM 702 CE1 PHE A 46 -48.078 -29.033 79.502 1.00 0.00 C ATOM 703 CE2 PHE A 46 -49.721 -29.354 77.807 1.00 0.00 C ATOM 704 CZ PHE A 46 -48.813 -28.539 78.451 1.00 0.00 C ATOM 0 HA PHE A 46 -49.547 -31.829 81.765 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -48.366 -33.033 79.881 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -49.908 -33.150 79.057 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -47.686 -30.732 80.720 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -50.614 -31.297 77.686 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -47.364 -28.403 80.013 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -50.297 -28.960 76.983 1.00 0.00 H new ATOM 0 HZ PHE A 46 -48.680 -27.516 78.130 1.00 0.00 H new ATOM 714 N LYS A 47 -51.761 -30.745 81.118 1.00 0.00 N ATOM 715 CA LYS A 47 -53.182 -30.228 80.997 1.00 0.00 C ATOM 716 C LYS A 47 -53.315 -28.840 80.311 1.00 0.00 C ATOM 717 O LYS A 47 -52.552 -27.946 80.619 1.00 0.00 O ATOM 718 CB LYS A 47 -53.785 -30.115 82.400 1.00 0.00 C ATOM 719 CG LYS A 47 -53.443 -31.350 83.242 1.00 0.00 C ATOM 720 CD LYS A 47 -54.069 -31.163 84.627 1.00 0.00 C ATOM 721 CE LYS A 47 -53.684 -32.351 85.511 1.00 0.00 C ATOM 722 NZ LYS A 47 -52.200 -32.434 85.628 1.00 0.00 N ATOM 0 H LYS A 47 -51.060 -30.036 81.333 1.00 0.00 H new ATOM 0 HA LYS A 47 -53.705 -30.944 80.363 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -53.407 -29.218 82.892 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -54.867 -30.007 82.328 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -53.827 -32.253 82.768 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -52.363 -31.468 83.324 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -53.721 -30.232 85.075 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -55.153 -31.091 84.544 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -54.130 -32.240 86.499 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -54.077 -33.275 85.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -51.949 -32.969 86.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -51.812 -32.916 84.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -51.802 -31.475 85.690 1.00 0.00 H new ATOM 736 N PHE A 48 -54.257 -28.654 79.406 1.00 0.00 N ATOM 737 CA PHE A 48 -54.402 -27.299 78.747 1.00 0.00 C ATOM 738 C PHE A 48 -55.837 -26.948 78.369 1.00 0.00 C ATOM 739 O PHE A 48 -56.733 -27.758 78.456 1.00 0.00 O ATOM 740 CB PHE A 48 -53.538 -27.231 77.477 1.00 0.00 C ATOM 741 CG PHE A 48 -54.100 -28.058 76.307 1.00 0.00 C ATOM 742 CD1 PHE A 48 -55.092 -27.576 75.468 1.00 0.00 C ATOM 743 CD2 PHE A 48 -53.593 -29.311 76.071 1.00 0.00 C ATOM 744 CE1 PHE A 48 -55.552 -28.351 74.414 1.00 0.00 C ATOM 745 CE2 PHE A 48 -54.044 -30.080 75.029 1.00 0.00 C ATOM 746 CZ PHE A 48 -55.021 -29.606 74.199 1.00 0.00 C ATOM 0 H PHE A 48 -54.921 -29.364 79.098 1.00 0.00 H new ATOM 0 HA PHE A 48 -54.072 -26.575 79.492 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -53.446 -26.191 77.165 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -52.534 -27.584 77.711 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -55.508 -26.594 75.635 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -52.822 -29.700 76.720 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -56.325 -27.972 73.762 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -53.626 -31.062 74.864 1.00 0.00 H new ATOM 0 HZ PHE A 48 -55.376 -30.212 73.378 1.00 0.00 H new ATOM 756 N MET A 49 -56.024 -25.722 77.945 1.00 0.00 N ATOM 757 CA MET A 49 -57.390 -25.251 77.544 1.00 0.00 C ATOM 758 C MET A 49 -57.453 -24.889 76.062 1.00 0.00 C ATOM 759 O MET A 49 -56.484 -24.451 75.474 1.00 0.00 O ATOM 760 CB MET A 49 -57.722 -24.068 78.399 1.00 0.00 C ATOM 761 CG MET A 49 -59.144 -23.558 78.121 1.00 0.00 C ATOM 762 SD MET A 49 -59.723 -22.156 79.110 1.00 0.00 S ATOM 763 CE MET A 49 -60.416 -23.100 80.491 1.00 0.00 C ATOM 0 H MET A 49 -55.287 -25.023 77.858 1.00 0.00 H new ATOM 0 HA MET A 49 -58.116 -26.050 77.692 1.00 0.00 H new ATOM 0 HB2 MET A 49 -57.630 -24.340 79.451 1.00 0.00 H new ATOM 0 HB3 MET A 49 -57.004 -23.269 78.212 1.00 0.00 H new ATOM 0 HG2 MET A 49 -59.204 -23.278 77.069 1.00 0.00 H new ATOM 0 HG3 MET A 49 -59.836 -24.387 78.270 1.00 0.00 H new ATOM 0 HE1 MET A 49 -60.833 -22.414 81.228 1.00 0.00 H new ATOM 0 HE2 MET A 49 -61.202 -23.759 80.123 1.00 0.00 H new ATOM 0 HE3 MET A 49 -59.630 -23.696 80.955 1.00 0.00 H new ATOM 773 N LEU A 50 -58.616 -25.087 75.495 1.00 0.00 N ATOM 774 CA LEU A 50 -58.870 -24.793 74.060 1.00 0.00 C ATOM 775 C LEU A 50 -59.374 -23.363 73.876 1.00 0.00 C ATOM 776 O LEU A 50 -60.406 -22.980 74.392 1.00 0.00 O ATOM 777 CB LEU A 50 -59.895 -25.804 73.591 1.00 0.00 C ATOM 778 CG LEU A 50 -60.340 -25.575 72.153 1.00 0.00 C ATOM 779 CD1 LEU A 50 -59.173 -25.715 71.193 1.00 0.00 C ATOM 780 CD2 LEU A 50 -61.352 -26.654 71.824 1.00 0.00 C ATOM 0 H LEU A 50 -59.428 -25.455 75.992 1.00 0.00 H new ATOM 0 HA LEU A 50 -57.954 -24.871 73.474 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -59.476 -26.806 73.681 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -60.765 -25.762 74.246 1.00 0.00 H new ATOM 0 HG LEU A 50 -60.754 -24.571 72.053 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -59.519 -25.547 70.173 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -58.407 -24.981 71.442 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -58.754 -26.718 71.273 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -61.699 -26.527 70.798 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -60.887 -27.634 71.931 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -62.199 -26.578 72.505 1.00 0.00 H new ATOM 792 N GLY A 51 -58.614 -22.609 73.132 1.00 0.00 N ATOM 793 CA GLY A 51 -58.964 -21.181 72.853 1.00 0.00 C ATOM 794 C GLY A 51 -58.136 -20.287 73.776 1.00 0.00 C ATOM 795 O GLY A 51 -58.592 -19.256 74.229 1.00 0.00 O ATOM 0 H GLY A 51 -57.748 -22.925 72.696 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -58.761 -20.939 71.810 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -60.028 -21.013 73.018 1.00 0.00 H new ATOM 799 N LYS A 52 -56.925 -20.710 74.032 1.00 0.00 N ATOM 800 CA LYS A 52 -55.995 -19.940 74.922 1.00 0.00 C ATOM 801 C LYS A 52 -54.666 -19.733 74.195 1.00 0.00 C ATOM 802 O LYS A 52 -54.212 -18.614 74.068 1.00 0.00 O ATOM 803 CB LYS A 52 -55.809 -20.747 76.210 1.00 0.00 C ATOM 804 CG LYS A 52 -54.934 -19.962 77.187 1.00 0.00 C ATOM 805 CD LYS A 52 -54.913 -20.724 78.514 1.00 0.00 C ATOM 806 CE LYS A 52 -54.036 -19.964 79.509 1.00 0.00 C ATOM 807 NZ LYS A 52 -54.588 -18.597 79.722 1.00 0.00 N ATOM 0 H LYS A 52 -56.531 -21.573 73.656 1.00 0.00 H new ATOM 0 HA LYS A 52 -56.397 -18.958 75.169 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -56.778 -20.957 76.662 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -55.347 -21.708 75.985 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -53.924 -19.854 76.793 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -55.329 -18.956 77.330 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -55.925 -20.827 78.906 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -54.526 -21.732 78.364 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -53.994 -20.502 80.456 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -53.015 -19.900 79.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -54.234 -18.216 80.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -54.289 -17.977 78.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -55.627 -18.642 79.750 1.00 0.00 H new ATOM 821 N GLN A 53 -54.114 -20.838 73.756 1.00 0.00 N ATOM 822 CA GLN A 53 -52.811 -20.901 73.010 1.00 0.00 C ATOM 823 C GLN A 53 -51.684 -21.323 73.949 1.00 0.00 C ATOM 824 O GLN A 53 -50.778 -20.567 74.236 1.00 0.00 O ATOM 825 CB GLN A 53 -52.428 -19.528 72.398 1.00 0.00 C ATOM 826 CG GLN A 53 -51.291 -19.717 71.383 1.00 0.00 C ATOM 827 CD GLN A 53 -51.806 -20.512 70.179 1.00 0.00 C ATOM 828 OE1 GLN A 53 -52.728 -20.104 69.500 1.00 0.00 O ATOM 829 NE2 GLN A 53 -51.241 -21.649 69.880 1.00 0.00 N ATOM 0 H GLN A 53 -54.540 -21.755 73.893 1.00 0.00 H new ATOM 0 HA GLN A 53 -52.943 -21.628 72.209 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -53.294 -19.081 71.910 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -52.116 -18.842 73.185 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -50.915 -18.747 71.058 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -50.457 -20.242 71.849 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -50.467 -21.998 70.445 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -51.573 -22.189 69.081 1.00 0.00 H new ATOM 838 N GLU A 54 -51.781 -22.544 74.406 1.00 0.00 N ATOM 839 CA GLU A 54 -50.762 -23.124 75.336 1.00 0.00 C ATOM 840 C GLU A 54 -50.005 -24.181 74.546 1.00 0.00 C ATOM 841 O GLU A 54 -48.813 -24.356 74.705 1.00 0.00 O ATOM 842 CB GLU A 54 -51.453 -23.785 76.529 1.00 0.00 C ATOM 843 CG GLU A 54 -52.223 -22.737 77.332 1.00 0.00 C ATOM 844 CD GLU A 54 -51.243 -21.704 77.894 1.00 0.00 C ATOM 845 OE1 GLU A 54 -50.377 -22.134 78.640 1.00 0.00 O ATOM 846 OE2 GLU A 54 -51.416 -20.549 77.543 1.00 0.00 O ATOM 0 H GLU A 54 -52.542 -23.180 74.168 1.00 0.00 H new ATOM 0 HA GLU A 54 -50.096 -22.348 75.714 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -52.134 -24.562 76.181 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -50.713 -24.271 77.165 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -52.961 -22.246 76.697 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -52.770 -23.215 78.145 1.00 0.00 H new ATOM 853 N VAL A 55 -50.728 -24.872 73.698 1.00 0.00 N ATOM 854 CA VAL A 55 -50.113 -25.947 72.851 1.00 0.00 C ATOM 855 C VAL A 55 -50.248 -25.640 71.362 1.00 0.00 C ATOM 856 O VAL A 55 -51.159 -24.961 70.932 1.00 0.00 O ATOM 857 CB VAL A 55 -50.803 -27.288 73.215 1.00 0.00 C ATOM 858 CG1 VAL A 55 -50.335 -27.717 74.582 1.00 0.00 C ATOM 859 CG2 VAL A 55 -52.363 -27.182 73.282 1.00 0.00 C ATOM 0 H VAL A 55 -51.729 -24.737 73.554 1.00 0.00 H new ATOM 0 HA VAL A 55 -49.043 -26.007 73.051 1.00 0.00 H new ATOM 0 HB VAL A 55 -50.538 -27.998 72.431 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -50.813 -28.659 74.851 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -49.253 -27.849 74.571 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -50.601 -26.954 75.314 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -52.783 -28.154 73.541 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -52.646 -26.451 74.039 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -52.748 -26.867 72.312 1.00 0.00 H new ATOM 869 N ILE A 56 -49.309 -26.165 70.620 1.00 0.00 N ATOM 870 CA ILE A 56 -49.308 -25.948 69.145 1.00 0.00 C ATOM 871 C ILE A 56 -50.674 -26.303 68.563 1.00 0.00 C ATOM 872 O ILE A 56 -51.599 -26.608 69.290 1.00 0.00 O ATOM 873 CB ILE A 56 -48.173 -26.813 68.514 1.00 0.00 C ATOM 874 CG1 ILE A 56 -48.377 -28.295 68.919 1.00 0.00 C ATOM 875 CG2 ILE A 56 -46.816 -26.242 68.982 1.00 0.00 C ATOM 876 CD1 ILE A 56 -47.143 -29.167 68.683 1.00 0.00 C ATOM 0 H ILE A 56 -48.541 -26.736 70.974 1.00 0.00 H new ATOM 0 HA ILE A 56 -49.119 -24.899 68.916 1.00 0.00 H new ATOM 0 HB ILE A 56 -48.195 -26.777 67.425 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -48.648 -28.341 69.974 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -49.215 -28.705 68.356 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -46.006 -26.831 68.553 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -46.724 -25.207 68.654 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -46.759 -26.285 70.070 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -47.357 -30.191 68.989 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -46.883 -29.151 67.625 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -46.308 -28.781 69.267 1.00 0.00 H new ATOM 888 N ARG A 57 -50.790 -26.263 67.261 1.00 0.00 N ATOM 889 CA ARG A 57 -52.068 -26.579 66.580 1.00 0.00 C ATOM 890 C ARG A 57 -52.217 -28.080 66.374 1.00 0.00 C ATOM 891 O ARG A 57 -53.209 -28.652 66.775 1.00 0.00 O ATOM 892 CB ARG A 57 -52.090 -25.844 65.238 1.00 0.00 C ATOM 893 CG ARG A 57 -53.476 -25.997 64.610 1.00 0.00 C ATOM 894 CD ARG A 57 -53.505 -25.212 63.296 1.00 0.00 C ATOM 895 NE ARG A 57 -53.228 -23.771 63.613 1.00 0.00 N ATOM 896 CZ ARG A 57 -52.200 -23.143 63.101 1.00 0.00 C ATOM 897 NH1 ARG A 57 -51.875 -23.376 61.859 1.00 0.00 N ATOM 898 NH2 ARG A 57 -51.536 -22.305 63.849 1.00 0.00 N ATOM 0 H ARG A 57 -50.027 -26.017 66.630 1.00 0.00 H new ATOM 0 HA ARG A 57 -52.905 -26.253 67.197 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -51.856 -24.789 65.382 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -51.328 -26.251 64.573 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -53.695 -27.049 64.427 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -54.243 -25.625 65.290 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -52.759 -25.600 62.603 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -54.475 -25.316 62.811 1.00 0.00 H new ATOM 0 HE ARG A 57 -53.855 -23.270 64.242 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -52.419 -24.038 61.305 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -51.077 -22.896 61.442 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -51.821 -22.148 64.816 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -50.732 -21.807 63.467 1.00 0.00 H new ATOM 912 N GLY A 58 -51.250 -28.697 65.748 1.00 0.00 N ATOM 913 CA GLY A 58 -51.323 -30.170 65.520 1.00 0.00 C ATOM 914 C GLY A 58 -51.867 -30.906 66.754 1.00 0.00 C ATOM 915 O GLY A 58 -52.347 -32.018 66.680 1.00 0.00 O ATOM 0 H GLY A 58 -50.412 -28.244 65.384 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -51.963 -30.375 64.662 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -50.331 -30.551 65.276 1.00 0.00 H new ATOM 919 N TRP A 59 -51.768 -30.239 67.872 1.00 0.00 N ATOM 920 CA TRP A 59 -52.245 -30.796 69.174 1.00 0.00 C ATOM 921 C TRP A 59 -53.692 -30.329 69.359 1.00 0.00 C ATOM 922 O TRP A 59 -54.632 -31.072 69.166 1.00 0.00 O ATOM 923 CB TRP A 59 -51.356 -30.232 70.315 1.00 0.00 C ATOM 924 CG TRP A 59 -50.514 -31.288 71.026 1.00 0.00 C ATOM 925 CD1 TRP A 59 -49.684 -32.138 70.396 1.00 0.00 C ATOM 926 CD2 TRP A 59 -50.427 -31.497 72.353 1.00 0.00 C ATOM 927 NE1 TRP A 59 -49.131 -32.811 71.382 1.00 0.00 N ATOM 928 CE2 TRP A 59 -49.513 -32.501 72.609 1.00 0.00 C ATOM 929 CE3 TRP A 59 -51.075 -30.897 73.405 1.00 0.00 C ATOM 930 CZ2 TRP A 59 -49.267 -32.872 73.916 1.00 0.00 C ATOM 931 CZ3 TRP A 59 -50.809 -31.288 74.675 1.00 0.00 C ATOM 932 CH2 TRP A 59 -49.917 -32.262 74.929 1.00 0.00 C ATOM 0 H TRP A 59 -51.365 -29.304 67.940 1.00 0.00 H new ATOM 0 HA TRP A 59 -52.190 -31.884 69.190 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -50.693 -29.471 69.903 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -51.994 -29.737 71.047 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -49.512 -32.243 69.335 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -48.439 -33.539 71.208 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -51.796 -30.114 73.220 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -48.552 -33.653 74.128 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -51.322 -30.810 75.496 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -49.720 -32.557 75.949 1.00 0.00 H new ATOM 943 N GLU A 60 -53.807 -29.080 69.736 1.00 0.00 N ATOM 944 CA GLU A 60 -55.129 -28.427 69.975 1.00 0.00 C ATOM 945 C GLU A 60 -56.159 -28.954 68.974 1.00 0.00 C ATOM 946 O GLU A 60 -57.253 -29.357 69.317 1.00 0.00 O ATOM 947 CB GLU A 60 -54.909 -26.937 69.828 1.00 0.00 C ATOM 948 CG GLU A 60 -56.142 -26.185 70.307 1.00 0.00 C ATOM 949 CD GLU A 60 -55.923 -24.685 70.095 1.00 0.00 C ATOM 950 OE1 GLU A 60 -54.971 -24.193 70.678 1.00 0.00 O ATOM 951 OE2 GLU A 60 -56.720 -24.122 69.364 1.00 0.00 O ATOM 0 H GLU A 60 -53.008 -28.465 69.893 1.00 0.00 H new ATOM 0 HA GLU A 60 -55.518 -28.648 70.969 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -54.037 -26.630 70.406 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -54.704 -26.691 68.786 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -57.023 -26.518 69.759 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -56.325 -26.394 71.361 1.00 0.00 H new ATOM 958 N GLU A 61 -55.728 -28.932 67.740 1.00 0.00 N ATOM 959 CA GLU A 61 -56.562 -29.398 66.623 1.00 0.00 C ATOM 960 C GLU A 61 -56.589 -30.914 66.733 1.00 0.00 C ATOM 961 O GLU A 61 -57.637 -31.527 66.781 1.00 0.00 O ATOM 962 CB GLU A 61 -55.929 -28.959 65.302 1.00 0.00 C ATOM 963 CG GLU A 61 -56.799 -29.443 64.137 1.00 0.00 C ATOM 964 CD GLU A 61 -58.185 -28.802 64.240 1.00 0.00 C ATOM 965 OE1 GLU A 61 -58.219 -27.583 64.208 1.00 0.00 O ATOM 966 OE2 GLU A 61 -59.127 -29.570 64.345 1.00 0.00 O ATOM 0 H GLU A 61 -54.804 -28.598 67.465 1.00 0.00 H new ATOM 0 HA GLU A 61 -57.571 -28.986 66.656 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -55.835 -27.873 65.274 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -54.923 -29.369 65.214 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -56.334 -29.180 63.187 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -56.886 -30.529 64.160 1.00 0.00 H new ATOM 973 N GLY A 62 -55.420 -31.497 66.767 1.00 0.00 N ATOM 974 CA GLY A 62 -55.349 -32.968 66.881 1.00 0.00 C ATOM 975 C GLY A 62 -56.171 -33.405 68.094 1.00 0.00 C ATOM 976 O GLY A 62 -57.302 -33.820 67.956 1.00 0.00 O ATOM 0 H GLY A 62 -54.522 -31.016 66.721 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -55.734 -33.436 65.975 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -54.313 -33.289 66.991 1.00 0.00 H new ATOM 980 N VAL A 63 -55.568 -33.290 69.248 1.00 0.00 N ATOM 981 CA VAL A 63 -56.230 -33.667 70.534 1.00 0.00 C ATOM 982 C VAL A 63 -57.748 -33.469 70.492 1.00 0.00 C ATOM 983 O VAL A 63 -58.485 -34.333 70.913 1.00 0.00 O ATOM 984 CB VAL A 63 -55.608 -32.827 71.648 1.00 0.00 C ATOM 985 CG1 VAL A 63 -56.236 -33.267 72.981 1.00 0.00 C ATOM 986 CG2 VAL A 63 -54.080 -33.071 71.688 1.00 0.00 C ATOM 0 H VAL A 63 -54.616 -32.940 69.356 1.00 0.00 H new ATOM 0 HA VAL A 63 -56.069 -34.730 70.715 1.00 0.00 H new ATOM 0 HB VAL A 63 -55.791 -31.767 71.474 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -55.809 -32.682 73.795 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -57.314 -33.107 72.946 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -56.031 -34.325 73.148 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -53.636 -32.471 72.483 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -53.885 -34.127 71.878 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -53.641 -32.787 70.732 1.00 0.00 H new ATOM 996 N ALA A 64 -58.201 -32.340 70.009 1.00 0.00 N ATOM 997 CA ALA A 64 -59.679 -32.115 69.940 1.00 0.00 C ATOM 998 C ALA A 64 -60.375 -33.351 69.364 1.00 0.00 C ATOM 999 O ALA A 64 -61.233 -33.982 69.949 1.00 0.00 O ATOM 1000 CB ALA A 64 -59.976 -30.945 69.019 1.00 0.00 C ATOM 0 H ALA A 64 -57.623 -31.574 69.664 1.00 0.00 H new ATOM 0 HA ALA A 64 -60.042 -31.914 70.948 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -61.053 -30.784 68.971 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -59.492 -30.047 69.403 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -59.597 -31.163 68.020 1.00 0.00 H new ATOM 1006 N GLN A 65 -59.903 -33.599 68.180 1.00 0.00 N ATOM 1007 CA GLN A 65 -60.331 -34.708 67.305 1.00 0.00 C ATOM 1008 C GLN A 65 -60.309 -36.021 68.082 1.00 0.00 C ATOM 1009 O GLN A 65 -60.792 -37.031 67.608 1.00 0.00 O ATOM 1010 CB GLN A 65 -59.364 -34.655 66.113 1.00 0.00 C ATOM 1011 CG GLN A 65 -59.855 -35.379 64.874 1.00 0.00 C ATOM 1012 CD GLN A 65 -58.876 -35.042 63.728 1.00 0.00 C ATOM 1013 OE1 GLN A 65 -58.947 -35.614 62.658 1.00 0.00 O ATOM 1014 NE2 GLN A 65 -57.953 -34.124 63.901 1.00 0.00 N ATOM 0 H GLN A 65 -59.176 -33.023 67.756 1.00 0.00 H new ATOM 0 HA GLN A 65 -61.357 -34.626 66.947 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -59.177 -33.612 65.859 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -58.409 -35.085 66.416 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -59.890 -36.455 65.046 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -60.867 -35.064 64.620 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -57.881 -33.635 64.793 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -57.308 -33.900 63.143 1.00 0.00 H new ATOM 1023 N MET A 66 -59.748 -35.989 69.269 1.00 0.00 N ATOM 1024 CA MET A 66 -59.699 -37.256 70.094 1.00 0.00 C ATOM 1025 C MET A 66 -60.806 -37.191 71.153 1.00 0.00 C ATOM 1026 O MET A 66 -61.244 -36.120 71.521 1.00 0.00 O ATOM 1027 CB MET A 66 -58.350 -37.375 70.809 1.00 0.00 C ATOM 1028 CG MET A 66 -57.224 -37.361 69.779 1.00 0.00 C ATOM 1029 SD MET A 66 -55.534 -37.416 70.426 1.00 0.00 S ATOM 1030 CE MET A 66 -55.547 -39.137 70.983 1.00 0.00 C ATOM 0 H MET A 66 -59.329 -35.165 69.701 1.00 0.00 H new ATOM 0 HA MET A 66 -59.835 -38.116 69.438 1.00 0.00 H new ATOM 0 HB2 MET A 66 -58.225 -36.551 71.511 1.00 0.00 H new ATOM 0 HB3 MET A 66 -58.314 -38.297 71.390 1.00 0.00 H new ATOM 0 HG2 MET A 66 -57.362 -38.212 69.112 1.00 0.00 H new ATOM 0 HG3 MET A 66 -57.328 -36.461 69.173 1.00 0.00 H new ATOM 0 HE1 MET A 66 -54.524 -39.510 71.037 1.00 0.00 H new ATOM 0 HE2 MET A 66 -56.008 -39.197 71.969 1.00 0.00 H new ATOM 0 HE3 MET A 66 -56.117 -39.743 70.279 1.00 0.00 H new ATOM 1040 N SER A 67 -61.236 -38.333 71.633 1.00 0.00 N ATOM 1041 CA SER A 67 -62.324 -38.375 72.673 1.00 0.00 C ATOM 1042 C SER A 67 -61.853 -38.950 74.006 1.00 0.00 C ATOM 1043 O SER A 67 -60.982 -39.793 74.080 1.00 0.00 O ATOM 1044 CB SER A 67 -63.472 -39.234 72.154 1.00 0.00 C ATOM 1045 OG SER A 67 -62.870 -40.506 71.963 1.00 0.00 O ATOM 0 H SER A 67 -60.880 -39.246 71.350 1.00 0.00 H new ATOM 0 HA SER A 67 -62.638 -37.346 72.851 1.00 0.00 H new ATOM 0 HB2 SER A 67 -64.294 -39.281 72.869 1.00 0.00 H new ATOM 0 HB3 SER A 67 -63.881 -38.839 71.224 1.00 0.00 H new ATOM 0 HG SER A 67 -63.540 -41.138 71.627 1.00 0.00 H new ATOM 1051 N VAL A 68 -62.480 -38.439 75.027 1.00 0.00 N ATOM 1052 CA VAL A 68 -62.178 -38.859 76.417 1.00 0.00 C ATOM 1053 C VAL A 68 -61.972 -40.360 76.579 1.00 0.00 C ATOM 1054 O VAL A 68 -62.916 -41.104 76.747 1.00 0.00 O ATOM 1055 CB VAL A 68 -63.332 -38.371 77.297 1.00 0.00 C ATOM 1056 CG1 VAL A 68 -63.152 -38.794 78.752 1.00 0.00 C ATOM 1057 CG2 VAL A 68 -63.378 -36.844 77.238 1.00 0.00 C ATOM 0 H VAL A 68 -63.208 -37.729 74.951 1.00 0.00 H new ATOM 0 HA VAL A 68 -61.227 -38.416 76.713 1.00 0.00 H new ATOM 0 HB VAL A 68 -64.256 -38.813 76.924 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -63.991 -38.429 79.344 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -63.112 -39.882 78.812 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -62.224 -38.374 79.141 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -64.196 -36.480 77.860 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -62.435 -36.437 77.603 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -63.536 -36.524 76.208 1.00 0.00 H new ATOM 1067 N GLY A 69 -60.736 -40.780 76.526 1.00 0.00 N ATOM 1068 CA GLY A 69 -60.415 -42.233 76.675 1.00 0.00 C ATOM 1069 C GLY A 69 -59.867 -42.749 75.356 1.00 0.00 C ATOM 1070 O GLY A 69 -59.818 -43.939 75.117 1.00 0.00 O ATOM 0 H GLY A 69 -59.927 -40.175 76.385 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -59.684 -42.379 77.471 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -61.308 -42.790 76.957 1.00 0.00 H new ATOM 1074 N GLN A 70 -59.463 -41.830 74.516 1.00 0.00 N ATOM 1075 CA GLN A 70 -58.898 -42.227 73.177 1.00 0.00 C ATOM 1076 C GLN A 70 -57.389 -41.996 73.127 1.00 0.00 C ATOM 1077 O GLN A 70 -56.877 -41.048 73.688 1.00 0.00 O ATOM 1078 CB GLN A 70 -59.566 -41.392 72.069 1.00 0.00 C ATOM 1079 CG GLN A 70 -58.929 -41.746 70.713 1.00 0.00 C ATOM 1080 CD GLN A 70 -59.740 -41.103 69.587 1.00 0.00 C ATOM 1081 OE1 GLN A 70 -60.930 -41.313 69.461 1.00 0.00 O ATOM 1082 NE2 GLN A 70 -59.131 -40.315 68.745 1.00 0.00 N ATOM 0 H GLN A 70 -59.497 -40.826 74.692 1.00 0.00 H new ATOM 0 HA GLN A 70 -59.097 -43.288 73.026 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -60.637 -41.591 72.044 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -59.444 -40.329 72.275 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -57.898 -41.394 70.680 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -58.901 -42.828 70.584 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -58.132 -40.135 68.846 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -59.654 -39.879 67.986 1.00 0.00 H new ATOM 1091 N ARG A 71 -56.710 -42.885 72.442 1.00 0.00 N ATOM 1092 CA ARG A 71 -55.219 -42.787 72.297 1.00 0.00 C ATOM 1093 C ARG A 71 -54.882 -42.829 70.824 1.00 0.00 C ATOM 1094 O ARG A 71 -55.451 -43.588 70.059 1.00 0.00 O ATOM 1095 CB ARG A 71 -54.534 -43.950 72.973 1.00 0.00 C ATOM 1096 CG ARG A 71 -53.008 -43.859 72.823 1.00 0.00 C ATOM 1097 CD ARG A 71 -52.397 -45.062 73.545 1.00 0.00 C ATOM 1098 NE ARG A 71 -50.932 -45.101 73.224 1.00 0.00 N ATOM 1099 CZ ARG A 71 -50.023 -44.982 74.158 1.00 0.00 C ATOM 1100 NH1 ARG A 71 -50.253 -44.186 75.165 1.00 0.00 N ATOM 1101 NH2 ARG A 71 -48.917 -45.667 74.050 1.00 0.00 N ATOM 0 H ARG A 71 -57.130 -43.686 71.970 1.00 0.00 H new ATOM 0 HA ARG A 71 -54.879 -41.860 72.759 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -54.798 -43.966 74.030 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -54.889 -44.886 72.541 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -52.726 -43.861 71.770 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -52.637 -42.927 73.250 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -52.549 -44.978 74.621 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -52.882 -45.985 73.226 1.00 0.00 H new ATOM 0 HE ARG A 71 -50.638 -45.223 72.255 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -51.130 -43.668 75.216 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -49.556 -44.081 75.902 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -48.774 -46.281 73.248 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -48.196 -45.588 74.767 1.00 0.00 H new ATOM 1115 N ALA A 72 -53.935 -41.993 70.494 1.00 0.00 N ATOM 1116 CA ALA A 72 -53.470 -41.886 69.072 1.00 0.00 C ATOM 1117 C ALA A 72 -51.998 -41.544 68.890 1.00 0.00 C ATOM 1118 O ALA A 72 -51.257 -41.299 69.819 1.00 0.00 O ATOM 1119 CB ALA A 72 -54.284 -40.813 68.356 1.00 0.00 C ATOM 0 H ALA A 72 -53.458 -41.374 71.149 1.00 0.00 H new ATOM 0 HA ALA A 72 -53.614 -42.883 68.654 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -53.949 -40.732 67.322 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -55.340 -41.084 68.375 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -54.146 -39.856 68.858 1.00 0.00 H new ATOM 1125 N LYS A 73 -51.658 -41.550 67.629 1.00 0.00 N ATOM 1126 CA LYS A 73 -50.282 -41.243 67.148 1.00 0.00 C ATOM 1127 C LYS A 73 -50.503 -40.152 66.104 1.00 0.00 C ATOM 1128 O LYS A 73 -50.937 -40.419 65.001 1.00 0.00 O ATOM 1129 CB LYS A 73 -49.664 -42.489 66.513 1.00 0.00 C ATOM 1130 CG LYS A 73 -48.245 -42.151 66.053 1.00 0.00 C ATOM 1131 CD LYS A 73 -47.632 -43.400 65.416 1.00 0.00 C ATOM 1132 CE LYS A 73 -46.192 -43.085 65.008 1.00 0.00 C ATOM 1133 NZ LYS A 73 -45.394 -42.725 66.214 1.00 0.00 N ATOM 0 H LYS A 73 -52.313 -41.766 66.878 1.00 0.00 H new ATOM 0 HA LYS A 73 -49.603 -40.930 67.941 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -49.643 -43.309 67.231 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -50.267 -42.821 65.668 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -48.264 -41.330 65.336 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -47.641 -41.821 66.898 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -47.652 -44.232 66.120 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -48.213 -43.705 64.546 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -45.748 -43.947 64.511 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -46.178 -42.263 64.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -44.383 -42.710 65.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -45.682 -41.785 66.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -45.559 -43.428 66.962 1.00 0.00 H new ATOM 1147 N LEU A 74 -50.201 -38.939 66.475 1.00 0.00 N ATOM 1148 CA LEU A 74 -50.395 -37.807 65.515 1.00 0.00 C ATOM 1149 C LEU A 74 -49.076 -37.467 64.830 1.00 0.00 C ATOM 1150 O LEU A 74 -48.011 -37.567 65.406 1.00 0.00 O ATOM 1151 CB LEU A 74 -50.898 -36.569 66.258 1.00 0.00 C ATOM 1152 CG LEU A 74 -52.243 -36.839 66.992 1.00 0.00 C ATOM 1153 CD1 LEU A 74 -52.023 -37.426 68.400 1.00 0.00 C ATOM 1154 CD2 LEU A 74 -53.013 -35.527 67.148 1.00 0.00 C ATOM 0 H LEU A 74 -49.832 -38.680 67.390 1.00 0.00 H new ATOM 0 HA LEU A 74 -51.128 -38.112 64.768 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -50.148 -36.250 66.981 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -51.028 -35.749 65.551 1.00 0.00 H new ATOM 0 HG LEU A 74 -52.800 -37.558 66.391 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -52.988 -37.599 68.877 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -51.483 -38.369 68.321 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -51.442 -36.725 69.000 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -53.955 -35.717 67.662 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -52.418 -34.823 67.729 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -53.216 -35.105 66.164 1.00 0.00 H new ATOM 1166 N THR A 75 -49.202 -37.067 63.592 1.00 0.00 N ATOM 1167 CA THR A 75 -48.017 -36.687 62.756 1.00 0.00 C ATOM 1168 C THR A 75 -48.259 -35.230 62.392 1.00 0.00 C ATOM 1169 O THR A 75 -49.108 -34.918 61.581 1.00 0.00 O ATOM 1170 CB THR A 75 -47.977 -37.552 61.497 1.00 0.00 C ATOM 1171 OG1 THR A 75 -47.913 -38.883 61.990 1.00 0.00 O ATOM 1172 CG2 THR A 75 -46.648 -37.364 60.763 1.00 0.00 C ATOM 0 H THR A 75 -50.098 -36.985 63.111 1.00 0.00 H new ATOM 0 HA THR A 75 -47.069 -36.829 63.275 1.00 0.00 H new ATOM 0 HB THR A 75 -48.817 -37.318 60.843 1.00 0.00 H new ATOM 0 HG1 THR A 75 -47.886 -39.510 61.237 1.00 0.00 H new ATOM 0 HG21 THR A 75 -46.635 -37.987 59.869 1.00 0.00 H new ATOM 0 HG22 THR A 75 -46.534 -36.318 60.479 1.00 0.00 H new ATOM 0 HG23 THR A 75 -45.826 -37.653 61.418 1.00 0.00 H new ATOM 1180 N ILE A 76 -47.500 -34.363 63.006 1.00 0.00 N ATOM 1181 CA ILE A 76 -47.638 -32.894 62.751 1.00 0.00 C ATOM 1182 C ILE A 76 -46.532 -32.415 61.822 1.00 0.00 C ATOM 1183 O ILE A 76 -45.396 -32.827 61.930 1.00 0.00 O ATOM 1184 CB ILE A 76 -47.527 -32.146 64.089 1.00 0.00 C ATOM 1185 CG1 ILE A 76 -48.488 -32.805 65.104 1.00 0.00 C ATOM 1186 CG2 ILE A 76 -47.923 -30.671 63.804 1.00 0.00 C ATOM 1187 CD1 ILE A 76 -48.289 -32.247 66.515 1.00 0.00 C ATOM 0 H ILE A 76 -46.779 -34.611 63.684 1.00 0.00 H new ATOM 0 HA ILE A 76 -48.604 -32.699 62.285 1.00 0.00 H new ATOM 0 HB ILE A 76 -46.522 -32.184 64.510 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -49.519 -32.640 64.789 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -48.326 -33.883 65.112 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -47.861 -30.093 64.726 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -47.243 -30.248 63.064 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -48.943 -30.636 63.422 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -48.982 -32.735 67.200 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -47.266 -32.435 66.840 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -48.477 -31.173 66.512 1.00 0.00 H new ATOM 1199 N SER A 77 -46.917 -31.532 60.935 1.00 0.00 N ATOM 1200 CA SER A 77 -45.972 -30.939 59.927 1.00 0.00 C ATOM 1201 C SER A 77 -45.789 -29.446 60.272 1.00 0.00 C ATOM 1202 O SER A 77 -46.669 -28.868 60.880 1.00 0.00 O ATOM 1203 CB SER A 77 -46.620 -31.140 58.546 1.00 0.00 C ATOM 1204 OG SER A 77 -47.899 -30.543 58.706 1.00 0.00 O ATOM 0 H SER A 77 -47.874 -31.185 60.863 1.00 0.00 H new ATOM 0 HA SER A 77 -44.988 -31.407 59.931 1.00 0.00 H new ATOM 0 HB2 SER A 77 -46.045 -30.657 57.756 1.00 0.00 H new ATOM 0 HB3 SER A 77 -46.697 -32.196 58.285 1.00 0.00 H new ATOM 0 HG SER A 77 -48.402 -30.617 57.868 1.00 0.00 H new ATOM 1210 N PRO A 78 -44.687 -28.838 59.898 1.00 0.00 N ATOM 1211 CA PRO A 78 -44.383 -27.440 60.300 1.00 0.00 C ATOM 1212 C PRO A 78 -45.612 -26.522 60.329 1.00 0.00 C ATOM 1213 O PRO A 78 -45.905 -25.892 61.325 1.00 0.00 O ATOM 1214 CB PRO A 78 -43.278 -26.999 59.292 1.00 0.00 C ATOM 1215 CG PRO A 78 -43.280 -28.114 58.216 1.00 0.00 C ATOM 1216 CD PRO A 78 -43.605 -29.370 59.026 1.00 0.00 C ATOM 0 HA PRO A 78 -44.041 -27.371 61.333 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -43.501 -26.025 58.857 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -42.306 -26.916 59.778 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -44.025 -27.928 57.443 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -42.315 -28.194 57.716 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -43.942 -30.195 58.399 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -42.749 -29.732 59.596 1.00 0.00 H new ATOM 1224 N ASP A 79 -46.293 -26.482 59.219 1.00 0.00 N ATOM 1225 CA ASP A 79 -47.507 -25.643 59.073 1.00 0.00 C ATOM 1226 C ASP A 79 -48.318 -25.536 60.359 1.00 0.00 C ATOM 1227 O ASP A 79 -48.852 -24.494 60.685 1.00 0.00 O ATOM 1228 CB ASP A 79 -48.338 -26.249 57.918 1.00 0.00 C ATOM 1229 CG ASP A 79 -48.369 -27.783 58.006 1.00 0.00 C ATOM 1230 OD1 ASP A 79 -47.289 -28.348 58.054 1.00 0.00 O ATOM 1231 OD2 ASP A 79 -49.467 -28.313 58.016 1.00 0.00 O ATOM 0 H ASP A 79 -46.048 -27.014 58.384 1.00 0.00 H new ATOM 0 HA ASP A 79 -47.217 -24.617 58.847 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -49.355 -25.859 57.954 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -47.913 -25.945 56.961 1.00 0.00 H new ATOM 1236 N TYR A 80 -48.388 -26.634 61.067 1.00 0.00 N ATOM 1237 CA TYR A 80 -49.153 -26.699 62.351 1.00 0.00 C ATOM 1238 C TYR A 80 -48.235 -26.694 63.583 1.00 0.00 C ATOM 1239 O TYR A 80 -48.421 -25.913 64.495 1.00 0.00 O ATOM 1240 CB TYR A 80 -49.985 -27.989 62.297 1.00 0.00 C ATOM 1241 CG TYR A 80 -51.292 -27.804 61.504 1.00 0.00 C ATOM 1242 CD1 TYR A 80 -51.288 -27.288 60.220 1.00 0.00 C ATOM 1243 CD2 TYR A 80 -52.502 -28.157 62.074 1.00 0.00 C ATOM 1244 CE1 TYR A 80 -52.471 -27.127 59.527 1.00 0.00 C ATOM 1245 CE2 TYR A 80 -53.683 -27.995 61.378 1.00 0.00 C ATOM 1246 CZ TYR A 80 -53.675 -27.480 60.100 1.00 0.00 C ATOM 1247 OH TYR A 80 -54.855 -27.317 59.406 1.00 0.00 O ATOM 0 H TYR A 80 -47.936 -27.510 60.803 1.00 0.00 H new ATOM 0 HA TYR A 80 -49.784 -25.816 62.453 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -49.394 -28.782 61.840 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -50.220 -28.311 63.312 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -50.353 -27.009 59.757 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -52.523 -28.564 63.074 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -52.454 -26.721 58.526 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -54.619 -28.274 61.838 1.00 0.00 H new ATOM 0 HH TYR A 80 -55.605 -27.618 59.960 1.00 0.00 H new ATOM 1457 N THR A 96 -40.507 -32.580 61.367 1.00 0.00 N ATOM 1458 CA THR A 96 -41.868 -33.120 61.683 1.00 0.00 C ATOM 1459 C THR A 96 -41.956 -33.596 63.146 1.00 0.00 C ATOM 1460 O THR A 96 -41.055 -34.270 63.604 1.00 0.00 O ATOM 1461 CB THR A 96 -42.102 -34.268 60.709 1.00 0.00 C ATOM 1462 OG1 THR A 96 -41.933 -33.654 59.440 1.00 0.00 O ATOM 1463 CG2 THR A 96 -43.550 -34.741 60.665 1.00 0.00 C ATOM 0 HA THR A 96 -42.633 -32.351 61.574 1.00 0.00 H new ATOM 0 HB THR A 96 -41.456 -35.103 60.979 1.00 0.00 H new ATOM 0 HG1 THR A 96 -41.154 -33.061 59.465 1.00 0.00 H new ATOM 0 HG21 THR A 96 -43.644 -35.559 59.951 1.00 0.00 H new ATOM 0 HG22 THR A 96 -43.850 -35.086 61.654 1.00 0.00 H new ATOM 0 HG23 THR A 96 -44.193 -33.916 60.358 1.00 0.00 H new ATOM 1471 N LEU A 97 -43.004 -33.263 63.870 1.00 0.00 N ATOM 1472 CA LEU A 97 -43.110 -33.712 65.282 1.00 0.00 C ATOM 1473 C LEU A 97 -44.080 -34.901 65.274 1.00 0.00 C ATOM 1474 O LEU A 97 -45.036 -34.906 64.526 1.00 0.00 O ATOM 1475 CB LEU A 97 -43.725 -32.602 66.159 1.00 0.00 C ATOM 1476 CG LEU A 97 -43.182 -31.192 65.988 1.00 0.00 C ATOM 1477 CD1 LEU A 97 -43.810 -30.304 67.067 1.00 0.00 C ATOM 1478 CD2 LEU A 97 -41.687 -31.093 66.129 1.00 0.00 C ATOM 0 H LEU A 97 -43.785 -32.699 63.535 1.00 0.00 H new ATOM 0 HA LEU A 97 -42.127 -33.965 65.679 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -44.797 -32.575 65.965 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -43.597 -32.888 67.203 1.00 0.00 H new ATOM 0 HG LEU A 97 -43.434 -30.878 64.975 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -43.435 -29.286 66.964 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -44.894 -30.304 66.953 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -43.549 -30.689 68.053 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -41.377 -30.057 65.994 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -41.392 -31.434 67.121 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -41.208 -31.716 65.374 1.00 0.00 H new ATOM 1490 N VAL A 98 -43.829 -35.889 66.095 1.00 0.00 N ATOM 1491 CA VAL A 98 -44.738 -37.078 66.144 1.00 0.00 C ATOM 1492 C VAL A 98 -45.069 -37.369 67.604 1.00 0.00 C ATOM 1493 O VAL A 98 -44.205 -37.758 68.366 1.00 0.00 O ATOM 1494 CB VAL A 98 -44.041 -38.286 65.535 1.00 0.00 C ATOM 1495 CG1 VAL A 98 -45.030 -39.470 65.534 1.00 0.00 C ATOM 1496 CG2 VAL A 98 -43.661 -37.959 64.091 1.00 0.00 C ATOM 0 H VAL A 98 -43.035 -35.925 66.734 1.00 0.00 H new ATOM 0 HA VAL A 98 -45.649 -36.873 65.581 1.00 0.00 H new ATOM 0 HB VAL A 98 -43.148 -38.538 66.107 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -44.548 -40.346 65.101 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -45.333 -39.692 66.557 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -45.908 -39.210 64.943 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -43.160 -38.817 63.643 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -44.561 -37.726 63.522 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -42.990 -37.100 64.077 1.00 0.00 H new ATOM 1506 N PHE A 99 -46.305 -37.179 67.980 1.00 0.00 N ATOM 1507 CA PHE A 99 -46.699 -37.450 69.399 1.00 0.00 C ATOM 1508 C PHE A 99 -47.518 -38.747 69.462 1.00 0.00 C ATOM 1509 O PHE A 99 -48.024 -39.249 68.477 1.00 0.00 O ATOM 1510 CB PHE A 99 -47.596 -36.348 69.972 1.00 0.00 C ATOM 1511 CG PHE A 99 -46.824 -35.063 70.275 1.00 0.00 C ATOM 1512 CD1 PHE A 99 -46.300 -34.335 69.243 1.00 0.00 C ATOM 1513 CD2 PHE A 99 -46.680 -34.608 71.578 1.00 0.00 C ATOM 1514 CE1 PHE A 99 -45.639 -33.158 69.505 1.00 0.00 C ATOM 1515 CE2 PHE A 99 -46.023 -33.430 71.863 1.00 0.00 C ATOM 1516 CZ PHE A 99 -45.493 -32.698 70.794 1.00 0.00 C ATOM 0 H PHE A 99 -47.056 -36.850 67.373 1.00 0.00 H new ATOM 0 HA PHE A 99 -45.775 -37.510 69.974 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -48.395 -36.129 69.264 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -48.069 -36.708 70.886 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -46.405 -34.683 68.226 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -47.093 -35.191 72.388 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -45.228 -32.586 68.687 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -45.920 -33.082 72.880 1.00 0.00 H new ATOM 0 HZ PHE A 99 -44.969 -31.772 70.981 1.00 0.00 H new ATOM 1526 N ASP A 100 -47.598 -39.227 70.668 1.00 0.00 N ATOM 1527 CA ASP A 100 -48.354 -40.471 70.995 1.00 0.00 C ATOM 1528 C ASP A 100 -49.186 -39.924 72.145 1.00 0.00 C ATOM 1529 O ASP A 100 -48.747 -39.992 73.273 1.00 0.00 O ATOM 1530 CB ASP A 100 -47.389 -41.558 71.471 1.00 0.00 C ATOM 1531 CG ASP A 100 -46.385 -41.879 70.358 1.00 0.00 C ATOM 1532 OD1 ASP A 100 -46.522 -41.277 69.304 1.00 0.00 O ATOM 1533 OD2 ASP A 100 -45.537 -42.712 70.629 1.00 0.00 O ATOM 0 H ASP A 100 -47.152 -38.791 71.475 1.00 0.00 H new ATOM 0 HA ASP A 100 -48.918 -40.932 70.185 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -46.862 -41.224 72.365 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -47.943 -42.456 71.744 1.00 0.00 H new ATOM 1538 N VAL A 101 -50.360 -39.395 71.881 1.00 0.00 N ATOM 1539 CA VAL A 101 -51.191 -38.826 73.005 1.00 0.00 C ATOM 1540 C VAL A 101 -52.383 -39.661 73.425 1.00 0.00 C ATOM 1541 O VAL A 101 -52.972 -40.403 72.662 1.00 0.00 O ATOM 1542 CB VAL A 101 -51.731 -37.442 72.599 1.00 0.00 C ATOM 1543 CG1 VAL A 101 -52.381 -36.692 73.793 1.00 0.00 C ATOM 1544 CG2 VAL A 101 -50.634 -36.624 71.944 1.00 0.00 C ATOM 0 H VAL A 101 -50.777 -39.331 70.953 1.00 0.00 H new ATOM 0 HA VAL A 101 -50.509 -38.792 73.855 1.00 0.00 H new ATOM 0 HB VAL A 101 -52.527 -37.592 71.869 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -52.747 -35.722 73.457 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -53.213 -37.279 74.182 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -51.640 -36.548 74.579 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -51.028 -35.648 71.661 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -49.809 -36.494 72.645 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -50.276 -37.142 71.054 1.00 0.00 H new ATOM 1554 N GLU A 102 -52.682 -39.481 74.682 1.00 0.00 N ATOM 1555 CA GLU A 102 -53.821 -40.175 75.341 1.00 0.00 C ATOM 1556 C GLU A 102 -54.697 -39.112 76.015 1.00 0.00 C ATOM 1557 O GLU A 102 -54.325 -38.608 77.054 1.00 0.00 O ATOM 1558 CB GLU A 102 -53.270 -41.152 76.381 1.00 0.00 C ATOM 1559 CG GLU A 102 -54.441 -41.910 77.014 1.00 0.00 C ATOM 1560 CD GLU A 102 -53.886 -42.947 77.994 1.00 0.00 C ATOM 1561 OE1 GLU A 102 -53.134 -43.783 77.522 1.00 0.00 O ATOM 1562 OE2 GLU A 102 -54.247 -42.843 79.155 1.00 0.00 O ATOM 0 H GLU A 102 -52.163 -38.858 75.300 1.00 0.00 H new ATOM 0 HA GLU A 102 -54.415 -40.733 74.617 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -52.577 -41.851 75.913 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -52.711 -40.613 77.146 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -55.103 -41.217 77.533 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -55.035 -42.400 76.242 1.00 0.00 H new ATOM 1569 N LEU A 103 -55.825 -38.767 75.439 1.00 0.00 N ATOM 1570 CA LEU A 103 -56.667 -37.730 76.123 1.00 0.00 C ATOM 1571 C LEU A 103 -57.226 -38.501 77.307 1.00 0.00 C ATOM 1572 O LEU A 103 -57.901 -39.498 77.145 1.00 0.00 O ATOM 1573 CB LEU A 103 -57.806 -37.251 75.186 1.00 0.00 C ATOM 1574 CG LEU A 103 -58.854 -36.349 75.927 1.00 0.00 C ATOM 1575 CD1 LEU A 103 -58.228 -35.048 76.517 1.00 0.00 C ATOM 1576 CD2 LEU A 103 -59.945 -35.951 74.914 1.00 0.00 C ATOM 0 H LEU A 103 -56.189 -39.139 74.562 1.00 0.00 H new ATOM 0 HA LEU A 103 -56.120 -36.831 76.407 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -57.377 -36.694 74.353 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -58.313 -38.118 74.763 1.00 0.00 H new ATOM 0 HG LEU A 103 -59.255 -36.924 76.762 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -59.002 -34.466 77.017 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -57.451 -35.311 77.235 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -57.792 -34.456 75.712 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -60.687 -35.322 75.406 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -59.492 -35.400 74.089 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -60.429 -36.849 74.529 1.00 0.00 H new ATOM 1588 N LEU A 104 -56.934 -38.012 78.486 1.00 0.00 N ATOM 1589 CA LEU A 104 -57.410 -38.691 79.729 1.00 0.00 C ATOM 1590 C LEU A 104 -58.762 -38.208 80.217 1.00 0.00 C ATOM 1591 O LEU A 104 -59.674 -38.992 80.391 1.00 0.00 O ATOM 1592 CB LEU A 104 -56.374 -38.476 80.838 1.00 0.00 C ATOM 1593 CG LEU A 104 -54.978 -38.943 80.352 1.00 0.00 C ATOM 1594 CD1 LEU A 104 -53.904 -38.312 81.203 1.00 0.00 C ATOM 1595 CD2 LEU A 104 -54.821 -40.470 80.465 1.00 0.00 C ATOM 0 H LEU A 104 -56.384 -37.167 78.641 1.00 0.00 H new ATOM 0 HA LEU A 104 -57.529 -39.746 79.482 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -56.339 -37.423 81.116 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -56.663 -39.031 81.730 1.00 0.00 H new ATOM 0 HG LEU A 104 -54.883 -38.644 79.308 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -52.925 -38.643 80.858 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -53.968 -37.227 81.125 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -54.042 -38.610 82.243 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -53.830 -40.761 80.115 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -54.942 -40.772 81.505 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -55.579 -40.960 79.854 1.00 0.00 H new ATOM 1607 N LYS A 105 -58.881 -36.929 80.432 1.00 0.00 N ATOM 1608 CA LYS A 105 -60.178 -36.398 80.912 1.00 0.00 C ATOM 1609 C LYS A 105 -60.250 -34.880 80.764 1.00 0.00 C ATOM 1610 O LYS A 105 -59.294 -34.243 80.374 1.00 0.00 O ATOM 1611 CB LYS A 105 -60.338 -36.849 82.383 1.00 0.00 C ATOM 1612 CG LYS A 105 -61.755 -36.549 82.900 1.00 0.00 C ATOM 1613 CD LYS A 105 -61.965 -37.301 84.216 1.00 0.00 C ATOM 1614 CE LYS A 105 -63.387 -37.026 84.711 1.00 0.00 C ATOM 1615 NZ LYS A 105 -63.632 -37.768 85.980 1.00 0.00 N ATOM 0 H LYS A 105 -58.143 -36.238 80.297 1.00 0.00 H new ATOM 0 HA LYS A 105 -61.000 -36.788 80.311 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -60.136 -37.917 82.464 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -59.604 -36.338 83.006 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -61.883 -35.477 83.052 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -62.499 -36.858 82.165 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -61.815 -38.371 84.069 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -61.236 -36.976 84.958 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -63.526 -35.957 84.872 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -64.110 -37.331 83.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -64.599 -37.578 86.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -63.517 -38.788 85.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -62.951 -37.456 86.701 1.00 0.00 H new ATOM 1629 N LEU A 106 -61.393 -34.323 81.077 1.00 0.00 N ATOM 1630 CA LEU A 106 -61.584 -32.839 80.973 1.00 0.00 C ATOM 1631 C LEU A 106 -61.872 -32.275 82.362 1.00 0.00 C ATOM 1632 O LEU A 106 -62.496 -32.912 83.187 1.00 0.00 O ATOM 1633 CB LEU A 106 -62.782 -32.525 80.062 1.00 0.00 C ATOM 1634 CG LEU A 106 -62.756 -33.397 78.810 1.00 0.00 C ATOM 1635 CD1 LEU A 106 -63.988 -33.080 77.970 1.00 0.00 C ATOM 1636 CD2 LEU A 106 -61.503 -33.136 77.976 1.00 0.00 C ATOM 0 H LEU A 106 -62.212 -34.836 81.404 1.00 0.00 H new ATOM 0 HA LEU A 106 -60.681 -32.392 80.557 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -63.712 -32.691 80.607 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -62.762 -31.473 79.778 1.00 0.00 H new ATOM 0 HG LEU A 106 -62.751 -34.444 79.115 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -63.984 -33.696 77.071 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -64.887 -33.290 78.549 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -63.975 -32.027 77.689 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -61.515 -33.773 77.092 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -61.481 -32.090 77.670 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -60.617 -33.358 78.571 1.00 0.00 H new ATOM 1648 N GLU A 107 -61.400 -31.076 82.576 1.00 0.00 N ATOM 1649 CA GLU A 107 -61.606 -30.386 83.898 1.00 0.00 C ATOM 1650 C GLU A 107 -62.104 -28.958 83.668 1.00 0.00 C ATOM 1651 O GLU A 107 -63.188 -28.683 84.155 1.00 0.00 O ATOM 1652 CB GLU A 107 -60.278 -30.353 84.667 1.00 0.00 C ATOM 1653 CG GLU A 107 -59.723 -31.776 84.824 1.00 0.00 C ATOM 1654 CD GLU A 107 -60.578 -32.607 85.789 1.00 0.00 C ATOM 1655 OE1 GLU A 107 -61.692 -32.932 85.415 1.00 0.00 O ATOM 1656 OE2 GLU A 107 -60.057 -32.870 86.860 1.00 0.00 O ATOM 1657 OXT GLU A 107 -61.377 -28.223 83.022 1.00 0.00 O ATOM 0 H GLU A 107 -60.875 -30.534 81.890 1.00 0.00 H new ATOM 0 HA GLU A 107 -62.350 -30.932 84.478 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -59.558 -29.730 84.137 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -60.428 -29.903 85.648 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -59.691 -32.265 83.850 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -58.698 -31.730 85.191 1.00 0.00 H new