USER MOD reduce.3.24.130724 H: found=0, std=0, add=496, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 495 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 67 THR OG1 : rot -91:sc= 1.23 USER MOD Set 1.2: A 76 ASN : amide:sc= 0.94 K(o=2.2,f=-4.5!) USER MOD Set 2.1: A 28 CYS SG : rot 180:sc= 0 USER MOD Set 2.2: A 60 LYS NZ :NH3+ 163:sc= 1.18 (180deg=0.622) USER MOD Set 3.1: A 34 HIS : no HD1:sc= -2.28 K(o=-1.5,f=-10!) USER MOD Set 3.2: A 35 THR OG1 : rot 40:sc= 0.726 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 170:sc= 0 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot -20:sc= 0.554 USER MOD Single : A 46 SER OG : rot 63:sc= 0.307 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 164:sc= -0.0338 (180deg=-0.329) USER MOD Single : A 51 LYS NZ :NH3+ -161:sc= -0.0524 (180deg=-0.496) USER MOD Single : A 59 CYS SG : rot 180:sc= -0.273 USER MOD Single : A 61 THR OG1 : rot 88:sc= 0.0255 USER MOD Single : A 63 MET CE :methyl -141:sc= -0.107 (180deg=-0.896) USER MOD Single : A 65 MET CE :methyl -172:sc= -1.45 (180deg=-1.53) USER MOD Single : A 69 MET CE :methyl -177:sc= -0.172 (180deg=-0.248) USER MOD Single : A 71 ASN :FLIP amide:sc= -0.768 F(o=-1.8!,f=-0.77) USER MOD Single : A 72 ASN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 149:sc= 0.199 (180deg=-0.33) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 25 2.974 2.478 -2.963 1.00 0.00 N ATOM 2 CA GLY A 25 2.832 1.094 -2.428 1.00 0.00 C ATOM 3 C GLY A 25 4.154 0.646 -1.814 1.00 0.00 C ATOM 4 O GLY A 25 4.241 0.401 -0.610 1.00 0.00 O ATOM 0 HA2 GLY A 25 2.042 1.062 -1.678 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.541 0.412 -3.227 1.00 0.00 H new ATOM 7 N PRO A 26 5.176 0.539 -2.618 1.00 0.00 N ATOM 8 CA PRO A 26 6.531 0.112 -2.156 1.00 0.00 C ATOM 9 C PRO A 26 7.091 1.050 -1.090 1.00 0.00 C ATOM 10 O PRO A 26 6.816 2.250 -1.097 1.00 0.00 O ATOM 11 CB PRO A 26 7.384 0.167 -3.428 1.00 0.00 C ATOM 12 CG PRO A 26 6.411 0.104 -4.559 1.00 0.00 C ATOM 13 CD PRO A 26 5.153 0.805 -4.063 1.00 0.00 C ATOM 0 HA PRO A 26 6.514 -0.874 -1.692 1.00 0.00 H new ATOM 0 HB2 PRO A 26 7.973 1.083 -3.467 1.00 0.00 H new ATOM 0 HB3 PRO A 26 8.086 -0.666 -3.467 1.00 0.00 H new ATOM 0 HG2 PRO A 26 6.810 0.597 -5.446 1.00 0.00 H new ATOM 0 HG3 PRO A 26 6.200 -0.929 -4.836 1.00 0.00 H new ATOM 0 HD2 PRO A 26 5.175 1.873 -4.277 1.00 0.00 H new ATOM 0 HD3 PRO A 26 4.255 0.404 -4.533 1.00 0.00 H new ATOM 21 N PHE A 27 7.876 0.494 -0.173 1.00 0.00 N ATOM 22 CA PHE A 27 8.467 1.290 0.897 1.00 0.00 C ATOM 23 C PHE A 27 9.987 1.322 0.762 1.00 0.00 C ATOM 24 O PHE A 27 10.613 0.310 0.449 1.00 0.00 O ATOM 25 CB PHE A 27 8.088 0.701 2.258 1.00 0.00 C ATOM 26 CG PHE A 27 6.589 0.764 2.432 1.00 0.00 C ATOM 27 CD1 PHE A 27 5.810 -0.380 2.223 1.00 0.00 C ATOM 28 CD2 PHE A 27 5.978 1.968 2.805 1.00 0.00 C ATOM 29 CE1 PHE A 27 4.421 -0.321 2.386 1.00 0.00 C ATOM 30 CE2 PHE A 27 4.589 2.028 2.967 1.00 0.00 C ATOM 31 CZ PHE A 27 3.810 0.883 2.758 1.00 0.00 C ATOM 0 H PHE A 27 8.116 -0.497 -0.149 1.00 0.00 H new ATOM 0 HA PHE A 27 8.083 2.307 0.822 1.00 0.00 H new ATOM 0 HB2 PHE A 27 8.430 -0.332 2.328 1.00 0.00 H new ATOM 0 HB3 PHE A 27 8.581 1.255 3.057 1.00 0.00 H new ATOM 0 HD1 PHE A 27 6.281 -1.309 1.936 1.00 0.00 H new ATOM 0 HD2 PHE A 27 6.579 2.850 2.968 1.00 0.00 H new ATOM 0 HE1 PHE A 27 3.820 -1.204 2.225 1.00 0.00 H new ATOM 0 HE2 PHE A 27 4.118 2.957 3.253 1.00 0.00 H new ATOM 0 HZ PHE A 27 2.738 0.929 2.884 1.00 0.00 H new ATOM 41 N CYS A 28 10.574 2.491 1.002 1.00 0.00 N ATOM 42 CA CYS A 28 12.019 2.645 0.906 1.00 0.00 C ATOM 43 C CYS A 28 12.599 3.083 2.246 1.00 0.00 C ATOM 44 O CYS A 28 11.938 3.769 3.026 1.00 0.00 O ATOM 45 CB CYS A 28 12.364 3.679 -0.167 1.00 0.00 C ATOM 46 SG CYS A 28 11.748 3.110 -1.772 1.00 0.00 S ATOM 0 H CYS A 28 10.073 3.340 1.263 1.00 0.00 H new ATOM 0 HA CYS A 28 12.452 1.683 0.633 1.00 0.00 H new ATOM 0 HB2 CYS A 28 11.920 4.642 0.085 1.00 0.00 H new ATOM 0 HB3 CYS A 28 13.443 3.827 -0.211 1.00 0.00 H new ATOM 0 HG CYS A 28 12.038 3.989 -2.685 1.00 0.00 H new ATOM 52 N GLY A 29 13.838 2.683 2.507 1.00 0.00 N ATOM 53 CA GLY A 29 14.497 3.038 3.759 1.00 0.00 C ATOM 54 C GLY A 29 15.686 2.120 4.028 1.00 0.00 C ATOM 55 O GLY A 29 16.555 1.947 3.172 1.00 0.00 O ATOM 0 H GLY A 29 14.403 2.117 1.874 1.00 0.00 H new ATOM 0 HA2 GLY A 29 14.834 4.074 3.716 1.00 0.00 H new ATOM 0 HA3 GLY A 29 13.785 2.968 4.582 1.00 0.00 H new ATOM 59 N ARG A 30 15.718 1.538 5.222 1.00 0.00 N ATOM 60 CA ARG A 30 16.803 0.639 5.596 1.00 0.00 C ATOM 61 C ARG A 30 16.297 -0.795 5.719 1.00 0.00 C ATOM 62 O ARG A 30 15.202 -1.035 6.230 1.00 0.00 O ATOM 63 CB ARG A 30 17.415 1.081 6.926 1.00 0.00 C ATOM 64 CG ARG A 30 18.665 1.924 6.664 1.00 0.00 C ATOM 65 CD ARG A 30 18.259 3.264 6.060 1.00 0.00 C ATOM 66 NE ARG A 30 19.342 4.232 6.195 1.00 0.00 N ATOM 67 CZ ARG A 30 19.213 5.480 5.750 1.00 0.00 C ATOM 68 NH1 ARG A 30 18.101 5.866 5.177 1.00 0.00 N ATOM 69 NH2 ARG A 30 20.198 6.325 5.889 1.00 0.00 N ATOM 0 H ARG A 30 15.009 1.672 5.943 1.00 0.00 H new ATOM 0 HA ARG A 30 17.563 0.678 4.816 1.00 0.00 H new ATOM 0 HB2 ARG A 30 16.688 1.659 7.498 1.00 0.00 H new ATOM 0 HB3 ARG A 30 17.672 0.209 7.527 1.00 0.00 H new ATOM 0 HG2 ARG A 30 19.211 2.083 7.594 1.00 0.00 H new ATOM 0 HG3 ARG A 30 19.337 1.397 5.987 1.00 0.00 H new ATOM 0 HD2 ARG A 30 18.008 3.134 5.007 1.00 0.00 H new ATOM 0 HD3 ARG A 30 17.364 3.638 6.557 1.00 0.00 H new ATOM 0 HE ARG A 30 20.215 3.947 6.639 1.00 0.00 H new ATOM 0 HH11 ARG A 30 17.328 5.209 5.070 1.00 0.00 H new ATOM 0 HH12 ARG A 30 18.008 6.823 4.838 1.00 0.00 H new ATOM 0 HH21 ARG A 30 21.065 6.029 6.338 1.00 0.00 H new ATOM 0 HH22 ARG A 30 20.101 7.282 5.549 1.00 0.00 H new ATOM 83 N ALA A 31 17.102 -1.744 5.252 1.00 0.00 N ATOM 84 CA ALA A 31 16.727 -3.152 5.318 1.00 0.00 C ATOM 85 C ALA A 31 17.614 -3.894 6.315 1.00 0.00 C ATOM 86 O ALA A 31 18.839 -3.828 6.238 1.00 0.00 O ATOM 87 CB ALA A 31 16.861 -3.792 3.935 1.00 0.00 C ATOM 0 H ALA A 31 18.012 -1.566 4.827 1.00 0.00 H new ATOM 0 HA ALA A 31 15.691 -3.220 5.650 1.00 0.00 H new ATOM 0 HB1 ALA A 31 16.579 -4.843 3.992 1.00 0.00 H new ATOM 0 HB2 ALA A 31 16.206 -3.278 3.231 1.00 0.00 H new ATOM 0 HB3 ALA A 31 17.893 -3.711 3.595 1.00 0.00 H new ATOM 93 N ARG A 32 16.986 -4.593 7.254 1.00 0.00 N ATOM 94 CA ARG A 32 17.730 -5.336 8.264 1.00 0.00 C ATOM 95 C ARG A 32 17.722 -6.826 7.945 1.00 0.00 C ATOM 96 O ARG A 32 16.665 -7.435 7.807 1.00 0.00 O ATOM 97 CB ARG A 32 17.110 -5.095 9.642 1.00 0.00 C ATOM 98 CG ARG A 32 18.020 -5.683 10.719 1.00 0.00 C ATOM 99 CD ARG A 32 17.477 -5.309 12.099 1.00 0.00 C ATOM 100 NE ARG A 32 18.367 -5.819 13.140 1.00 0.00 N ATOM 101 CZ ARG A 32 18.311 -7.089 13.539 1.00 0.00 C ATOM 102 NH1 ARG A 32 17.454 -7.918 12.999 1.00 0.00 N ATOM 103 NH2 ARG A 32 19.122 -7.515 14.472 1.00 0.00 N ATOM 0 H ARG A 32 15.972 -4.661 7.337 1.00 0.00 H new ATOM 0 HA ARG A 32 18.763 -4.987 8.266 1.00 0.00 H new ATOM 0 HB2 ARG A 32 16.974 -4.027 9.810 1.00 0.00 H new ATOM 0 HB3 ARG A 32 16.123 -5.554 9.694 1.00 0.00 H new ATOM 0 HG2 ARG A 32 18.070 -6.767 10.617 1.00 0.00 H new ATOM 0 HG3 ARG A 32 19.035 -5.304 10.600 1.00 0.00 H new ATOM 0 HD2 ARG A 32 17.388 -4.226 12.183 1.00 0.00 H new ATOM 0 HD3 ARG A 32 16.477 -5.722 12.230 1.00 0.00 H new ATOM 0 HE ARG A 32 19.045 -5.190 13.570 1.00 0.00 H new ATOM 0 HH11 ARG A 32 16.822 -7.593 12.267 1.00 0.00 H new ATOM 0 HH12 ARG A 32 17.418 -8.889 13.310 1.00 0.00 H new ATOM 0 HH21 ARG A 32 19.796 -6.875 14.893 1.00 0.00 H new ATOM 0 HH22 ARG A 32 19.081 -8.487 14.779 1.00 0.00 H new ATOM 117 N VAL A 33 18.909 -7.409 7.831 1.00 0.00 N ATOM 118 CA VAL A 33 19.019 -8.830 7.521 1.00 0.00 C ATOM 119 C VAL A 33 18.736 -9.673 8.759 1.00 0.00 C ATOM 120 O VAL A 33 19.388 -9.518 9.790 1.00 0.00 O ATOM 121 CB VAL A 33 20.425 -9.138 7.001 1.00 0.00 C ATOM 122 CG1 VAL A 33 20.540 -10.631 6.684 1.00 0.00 C ATOM 123 CG2 VAL A 33 20.686 -8.327 5.731 1.00 0.00 C ATOM 0 H VAL A 33 19.800 -6.927 7.947 1.00 0.00 H new ATOM 0 HA VAL A 33 18.284 -9.076 6.755 1.00 0.00 H new ATOM 0 HB VAL A 33 21.159 -8.872 7.762 1.00 0.00 H new ATOM 0 HG11 VAL A 33 21.542 -10.848 6.314 1.00 0.00 H new ATOM 0 HG12 VAL A 33 20.354 -11.210 7.588 1.00 0.00 H new ATOM 0 HG13 VAL A 33 19.806 -10.899 5.924 1.00 0.00 H new ATOM 0 HG21 VAL A 33 21.687 -8.545 5.359 1.00 0.00 H new ATOM 0 HG22 VAL A 33 19.951 -8.593 4.972 1.00 0.00 H new ATOM 0 HG23 VAL A 33 20.606 -7.263 5.956 1.00 0.00 H new ATOM 133 N HIS A 34 17.760 -10.569 8.647 1.00 0.00 N ATOM 134 CA HIS A 34 17.401 -11.436 9.763 1.00 0.00 C ATOM 135 C HIS A 34 17.902 -12.860 9.525 1.00 0.00 C ATOM 136 O HIS A 34 17.977 -13.663 10.455 1.00 0.00 O ATOM 137 CB HIS A 34 15.884 -11.453 9.944 1.00 0.00 C ATOM 138 CG HIS A 34 15.241 -12.033 8.714 1.00 0.00 C ATOM 139 ND1 HIS A 34 15.115 -13.399 8.521 1.00 0.00 N ATOM 140 CD2 HIS A 34 14.681 -11.445 7.607 1.00 0.00 C ATOM 141 CE1 HIS A 34 14.501 -13.587 7.339 1.00 0.00 C ATOM 142 NE2 HIS A 34 14.215 -12.428 6.739 1.00 0.00 N ATOM 0 H HIS A 34 17.208 -10.713 7.802 1.00 0.00 H new ATOM 0 HA HIS A 34 17.872 -11.045 10.665 1.00 0.00 H new ATOM 0 HB2 HIS A 34 15.618 -12.044 10.820 1.00 0.00 H new ATOM 0 HB3 HIS A 34 15.516 -10.442 10.118 1.00 0.00 H new ATOM 0 HD2 HIS A 34 14.612 -10.381 7.436 1.00 0.00 H new ATOM 0 HE1 HIS A 34 14.268 -14.557 6.925 1.00 0.00 H new ATOM 0 HE2 HIS A 34 13.754 -12.293 5.839 1.00 0.00 H new ATOM 150 N THR A 35 18.249 -13.162 8.277 1.00 0.00 N ATOM 151 CA THR A 35 18.748 -14.484 7.926 1.00 0.00 C ATOM 152 C THR A 35 20.061 -14.378 7.160 1.00 0.00 C ATOM 153 O THR A 35 20.163 -13.634 6.184 1.00 0.00 O ATOM 154 CB THR A 35 17.712 -15.226 7.085 1.00 0.00 C ATOM 155 OG1 THR A 35 16.571 -15.518 7.879 1.00 0.00 O ATOM 156 CG2 THR A 35 18.319 -16.511 6.531 1.00 0.00 C ATOM 0 H THR A 35 18.193 -12.510 7.495 1.00 0.00 H new ATOM 0 HA THR A 35 18.929 -15.040 8.846 1.00 0.00 H new ATOM 0 HB THR A 35 17.406 -14.597 6.249 1.00 0.00 H new ATOM 0 HG1 THR A 35 16.370 -14.752 8.456 1.00 0.00 H new ATOM 0 HG21 THR A 35 17.575 -17.036 5.932 1.00 0.00 H new ATOM 0 HG22 THR A 35 19.180 -16.268 5.909 1.00 0.00 H new ATOM 0 HG23 THR A 35 18.636 -17.149 7.356 1.00 0.00 H new ATOM 164 N ASP A 36 21.062 -15.125 7.609 1.00 0.00 N ATOM 165 CA ASP A 36 22.366 -15.104 6.957 1.00 0.00 C ATOM 166 C ASP A 36 22.269 -15.677 5.547 1.00 0.00 C ATOM 167 O ASP A 36 22.081 -16.880 5.366 1.00 0.00 O ATOM 168 CB ASP A 36 23.371 -15.922 7.773 1.00 0.00 C ATOM 169 CG ASP A 36 22.737 -17.235 8.221 1.00 0.00 C ATOM 170 OD1 ASP A 36 21.861 -17.190 9.068 1.00 0.00 O ATOM 171 OD2 ASP A 36 23.135 -18.267 7.707 1.00 0.00 O ATOM 0 H ASP A 36 20.998 -15.748 8.414 1.00 0.00 H new ATOM 0 HA ASP A 36 22.704 -14.069 6.895 1.00 0.00 H new ATOM 0 HB2 ASP A 36 24.259 -16.124 7.174 1.00 0.00 H new ATOM 0 HB3 ASP A 36 23.696 -15.351 8.643 1.00 0.00 H new ATOM 176 N PHE A 37 22.407 -14.807 4.551 1.00 0.00 N ATOM 177 CA PHE A 37 22.343 -15.237 3.158 1.00 0.00 C ATOM 178 C PHE A 37 23.672 -14.974 2.460 1.00 0.00 C ATOM 179 O PHE A 37 24.085 -13.816 2.294 1.00 0.00 O ATOM 180 CB PHE A 37 21.220 -14.496 2.434 1.00 0.00 C ATOM 181 CG PHE A 37 21.280 -14.805 0.958 1.00 0.00 C ATOM 182 CD1 PHE A 37 21.324 -16.134 0.524 1.00 0.00 C ATOM 183 CD2 PHE A 37 21.291 -13.761 0.023 1.00 0.00 C ATOM 184 CE1 PHE A 37 21.379 -16.421 -0.845 1.00 0.00 C ATOM 185 CE2 PHE A 37 21.344 -14.047 -1.346 1.00 0.00 C ATOM 186 CZ PHE A 37 21.391 -15.378 -1.780 1.00 0.00 C ATOM 0 H PHE A 37 22.563 -13.807 4.681 1.00 0.00 H new ATOM 0 HA PHE A 37 22.140 -16.308 3.132 1.00 0.00 H new ATOM 0 HB2 PHE A 37 20.253 -14.794 2.839 1.00 0.00 H new ATOM 0 HB3 PHE A 37 21.316 -13.422 2.595 1.00 0.00 H new ATOM 0 HD1 PHE A 37 21.316 -16.938 1.245 1.00 0.00 H new ATOM 0 HD2 PHE A 37 21.259 -12.735 0.359 1.00 0.00 H new ATOM 0 HE1 PHE A 37 21.412 -17.447 -1.180 1.00 0.00 H new ATOM 0 HE2 PHE A 37 21.349 -13.243 -2.067 1.00 0.00 H new ATOM 0 HZ PHE A 37 21.437 -15.600 -2.836 1.00 0.00 H new ATOM 196 N THR A 38 24.336 -16.051 2.045 1.00 0.00 N ATOM 197 CA THR A 38 25.608 -15.923 1.363 1.00 0.00 C ATOM 198 C THR A 38 25.624 -16.764 0.080 1.00 0.00 C ATOM 199 O THR A 38 25.325 -17.960 0.113 1.00 0.00 O ATOM 200 CB THR A 38 26.747 -16.367 2.279 1.00 0.00 C ATOM 201 OG1 THR A 38 26.780 -15.524 3.420 1.00 0.00 O ATOM 202 CG2 THR A 38 28.081 -16.273 1.531 1.00 0.00 C ATOM 0 H THR A 38 24.013 -17.010 2.171 1.00 0.00 H new ATOM 0 HA THR A 38 25.746 -14.875 1.098 1.00 0.00 H new ATOM 0 HB THR A 38 26.585 -17.399 2.589 1.00 0.00 H new ATOM 0 HG1 THR A 38 27.508 -15.805 4.013 1.00 0.00 H new ATOM 0 HG21 THR A 38 28.890 -16.591 2.189 1.00 0.00 H new ATOM 0 HG22 THR A 38 28.052 -16.919 0.653 1.00 0.00 H new ATOM 0 HG23 THR A 38 28.251 -15.243 1.218 1.00 0.00 H new ATOM 210 N PRO A 39 25.978 -16.174 -1.032 1.00 0.00 N ATOM 211 CA PRO A 39 26.047 -16.883 -2.341 1.00 0.00 C ATOM 212 C PRO A 39 27.237 -17.836 -2.417 1.00 0.00 C ATOM 213 O PRO A 39 28.142 -17.785 -1.581 1.00 0.00 O ATOM 214 CB PRO A 39 26.186 -15.751 -3.358 1.00 0.00 C ATOM 215 CG PRO A 39 26.809 -14.623 -2.609 1.00 0.00 C ATOM 216 CD PRO A 39 26.347 -14.759 -1.169 1.00 0.00 C ATOM 0 HA PRO A 39 25.173 -17.511 -2.514 1.00 0.00 H new ATOM 0 HB2 PRO A 39 26.807 -16.054 -4.201 1.00 0.00 H new ATOM 0 HB3 PRO A 39 25.215 -15.465 -3.764 1.00 0.00 H new ATOM 0 HG2 PRO A 39 27.896 -14.667 -2.674 1.00 0.00 H new ATOM 0 HG3 PRO A 39 26.503 -13.664 -3.026 1.00 0.00 H new ATOM 0 HD2 PRO A 39 27.138 -14.486 -0.471 1.00 0.00 H new ATOM 0 HD3 PRO A 39 25.499 -14.106 -0.961 1.00 0.00 H new ATOM 224 N SER A 40 27.223 -18.707 -3.418 1.00 0.00 N ATOM 225 CA SER A 40 28.298 -19.670 -3.592 1.00 0.00 C ATOM 226 C SER A 40 29.597 -18.961 -3.973 1.00 0.00 C ATOM 227 O SER A 40 29.580 -17.825 -4.442 1.00 0.00 O ATOM 228 CB SER A 40 27.933 -20.680 -4.680 1.00 0.00 C ATOM 229 OG SER A 40 26.860 -21.492 -4.223 1.00 0.00 O ATOM 0 H SER A 40 26.483 -18.765 -4.117 1.00 0.00 H new ATOM 0 HA SER A 40 28.442 -20.193 -2.647 1.00 0.00 H new ATOM 0 HB2 SER A 40 27.647 -20.160 -5.594 1.00 0.00 H new ATOM 0 HB3 SER A 40 28.796 -21.300 -4.922 1.00 0.00 H new ATOM 0 HG SER A 40 26.516 -22.029 -4.967 1.00 0.00 H new ATOM 235 N PRO A 41 30.716 -19.605 -3.767 1.00 0.00 N ATOM 236 CA PRO A 41 32.055 -19.022 -4.088 1.00 0.00 C ATOM 237 C PRO A 41 32.157 -18.580 -5.547 1.00 0.00 C ATOM 238 O PRO A 41 32.852 -17.617 -5.866 1.00 0.00 O ATOM 239 CB PRO A 41 33.026 -20.172 -3.805 1.00 0.00 C ATOM 240 CG PRO A 41 32.306 -21.071 -2.859 1.00 0.00 C ATOM 241 CD PRO A 41 30.833 -20.962 -3.212 1.00 0.00 C ATOM 0 HA PRO A 41 32.260 -18.125 -3.503 1.00 0.00 H new ATOM 0 HB2 PRO A 41 33.291 -20.698 -4.722 1.00 0.00 H new ATOM 0 HB3 PRO A 41 33.955 -19.804 -3.368 1.00 0.00 H new ATOM 0 HG2 PRO A 41 32.655 -22.099 -2.957 1.00 0.00 H new ATOM 0 HG3 PRO A 41 32.482 -20.771 -1.826 1.00 0.00 H new ATOM 0 HD2 PRO A 41 30.536 -21.720 -3.937 1.00 0.00 H new ATOM 0 HD3 PRO A 41 30.199 -21.094 -2.335 1.00 0.00 H new ATOM 249 N TYR A 42 31.458 -19.292 -6.426 1.00 0.00 N ATOM 250 CA TYR A 42 31.477 -18.963 -7.847 1.00 0.00 C ATOM 251 C TYR A 42 30.284 -18.080 -8.215 1.00 0.00 C ATOM 252 O TYR A 42 30.004 -17.861 -9.393 1.00 0.00 O ATOM 253 CB TYR A 42 31.442 -20.244 -8.680 1.00 0.00 C ATOM 254 CG TYR A 42 30.067 -20.862 -8.599 1.00 0.00 C ATOM 255 CD1 TYR A 42 29.122 -20.599 -9.598 1.00 0.00 C ATOM 256 CD2 TYR A 42 29.737 -21.696 -7.524 1.00 0.00 C ATOM 257 CE1 TYR A 42 27.847 -21.171 -9.523 1.00 0.00 C ATOM 258 CE2 TYR A 42 28.461 -22.267 -7.449 1.00 0.00 C ATOM 259 CZ TYR A 42 27.516 -22.006 -8.448 1.00 0.00 C ATOM 260 OH TYR A 42 26.259 -22.569 -8.374 1.00 0.00 O ATOM 0 H TYR A 42 30.876 -20.094 -6.182 1.00 0.00 H new ATOM 0 HA TYR A 42 32.395 -18.416 -8.059 1.00 0.00 H new ATOM 0 HB2 TYR A 42 31.692 -20.022 -9.718 1.00 0.00 H new ATOM 0 HB3 TYR A 42 32.190 -20.948 -8.315 1.00 0.00 H new ATOM 0 HD1 TYR A 42 29.377 -19.955 -10.426 1.00 0.00 H new ATOM 0 HD2 TYR A 42 30.466 -21.899 -6.753 1.00 0.00 H new ATOM 0 HE1 TYR A 42 27.118 -20.969 -10.294 1.00 0.00 H new ATOM 0 HE2 TYR A 42 28.205 -22.910 -6.619 1.00 0.00 H new ATOM 0 HH TYR A 42 26.195 -23.122 -7.567 1.00 0.00 H new ATOM 270 N ASP A 43 29.589 -17.571 -7.200 1.00 0.00 N ATOM 271 CA ASP A 43 28.439 -16.711 -7.430 1.00 0.00 C ATOM 272 C ASP A 43 28.785 -15.263 -7.098 1.00 0.00 C ATOM 273 O ASP A 43 28.940 -14.903 -5.931 1.00 0.00 O ATOM 274 CB ASP A 43 27.263 -17.170 -6.566 1.00 0.00 C ATOM 275 CG ASP A 43 26.644 -18.432 -7.157 1.00 0.00 C ATOM 276 OD1 ASP A 43 26.987 -18.767 -8.278 1.00 0.00 O ATOM 277 OD2 ASP A 43 25.833 -19.043 -6.479 1.00 0.00 O ATOM 0 H ASP A 43 29.803 -17.740 -6.217 1.00 0.00 H new ATOM 0 HA ASP A 43 28.161 -16.776 -8.482 1.00 0.00 H new ATOM 0 HB2 ASP A 43 27.602 -17.363 -5.548 1.00 0.00 H new ATOM 0 HB3 ASP A 43 26.514 -16.380 -6.508 1.00 0.00 H new ATOM 282 N THR A 44 28.898 -14.439 -8.131 1.00 0.00 N ATOM 283 CA THR A 44 29.217 -13.029 -7.944 1.00 0.00 C ATOM 284 C THR A 44 28.040 -12.148 -8.356 1.00 0.00 C ATOM 285 O THR A 44 28.055 -10.937 -8.132 1.00 0.00 O ATOM 286 CB THR A 44 30.447 -12.657 -8.774 1.00 0.00 C ATOM 287 OG1 THR A 44 30.691 -11.262 -8.660 1.00 0.00 O ATOM 288 CG2 THR A 44 30.201 -13.017 -10.240 1.00 0.00 C ATOM 0 H THR A 44 28.774 -14.720 -9.104 1.00 0.00 H new ATOM 0 HA THR A 44 29.426 -12.864 -6.887 1.00 0.00 H new ATOM 0 HB THR A 44 31.314 -13.207 -8.407 1.00 0.00 H new ATOM 0 HG1 THR A 44 29.875 -10.811 -8.359 1.00 0.00 H new ATOM 0 HG21 THR A 44 31.077 -12.752 -10.832 1.00 0.00 H new ATOM 0 HG22 THR A 44 30.016 -14.088 -10.326 1.00 0.00 H new ATOM 0 HG23 THR A 44 29.335 -12.468 -10.609 1.00 0.00 H new ATOM 296 N ASP A 45 27.024 -12.759 -8.963 1.00 0.00 N ATOM 297 CA ASP A 45 25.855 -12.014 -9.400 1.00 0.00 C ATOM 298 C ASP A 45 24.964 -11.658 -8.211 1.00 0.00 C ATOM 299 O ASP A 45 23.992 -10.917 -8.358 1.00 0.00 O ATOM 300 CB ASP A 45 25.055 -12.851 -10.401 1.00 0.00 C ATOM 301 CG ASP A 45 24.480 -14.086 -9.711 1.00 0.00 C ATOM 302 OD1 ASP A 45 24.878 -14.358 -8.590 1.00 0.00 O ATOM 303 OD2 ASP A 45 23.643 -14.738 -10.312 1.00 0.00 O ATOM 0 H ASP A 45 26.990 -13.759 -9.160 1.00 0.00 H new ATOM 0 HA ASP A 45 26.191 -11.092 -9.874 1.00 0.00 H new ATOM 0 HB2 ASP A 45 24.248 -12.253 -10.824 1.00 0.00 H new ATOM 0 HB3 ASP A 45 25.696 -13.153 -11.229 1.00 0.00 H new ATOM 308 N SER A 46 25.299 -12.190 -7.036 1.00 0.00 N ATOM 309 CA SER A 46 24.521 -11.919 -5.837 1.00 0.00 C ATOM 310 C SER A 46 25.382 -11.228 -4.787 1.00 0.00 C ATOM 311 O SER A 46 26.575 -11.513 -4.662 1.00 0.00 O ATOM 312 CB SER A 46 23.971 -13.228 -5.270 1.00 0.00 C ATOM 313 OG SER A 46 23.055 -13.795 -6.196 1.00 0.00 O ATOM 0 H SER A 46 26.099 -12.806 -6.893 1.00 0.00 H new ATOM 0 HA SER A 46 23.693 -11.260 -6.101 1.00 0.00 H new ATOM 0 HB2 SER A 46 24.787 -13.924 -5.076 1.00 0.00 H new ATOM 0 HB3 SER A 46 23.475 -13.044 -4.317 1.00 0.00 H new ATOM 0 HG SER A 46 23.526 -14.022 -7.025 1.00 0.00 H new ATOM 319 N LEU A 47 24.773 -10.315 -4.038 1.00 0.00 N ATOM 320 CA LEU A 47 25.494 -9.585 -3.005 1.00 0.00 C ATOM 321 C LEU A 47 25.584 -10.414 -1.728 1.00 0.00 C ATOM 322 O LEU A 47 24.738 -11.270 -1.473 1.00 0.00 O ATOM 323 CB LEU A 47 24.789 -8.262 -2.710 1.00 0.00 C ATOM 324 CG LEU A 47 25.794 -7.258 -2.142 1.00 0.00 C ATOM 325 CD1 LEU A 47 26.722 -6.774 -3.261 1.00 0.00 C ATOM 326 CD2 LEU A 47 25.044 -6.064 -1.552 1.00 0.00 C ATOM 0 H LEU A 47 23.788 -10.065 -4.127 1.00 0.00 H new ATOM 0 HA LEU A 47 26.503 -9.384 -3.366 1.00 0.00 H new ATOM 0 HB2 LEU A 47 24.341 -7.867 -3.621 1.00 0.00 H new ATOM 0 HB3 LEU A 47 23.978 -8.421 -1.999 1.00 0.00 H new ATOM 0 HG LEU A 47 26.385 -7.738 -1.362 1.00 0.00 H new ATOM 0 HD11 LEU A 47 27.438 -6.059 -2.856 1.00 0.00 H new ATOM 0 HD12 LEU A 47 27.258 -7.624 -3.683 1.00 0.00 H new ATOM 0 HD13 LEU A 47 26.131 -6.294 -4.041 1.00 0.00 H new ATOM 0 HD21 LEU A 47 25.760 -5.349 -1.147 1.00 0.00 H new ATOM 0 HD22 LEU A 47 24.453 -5.584 -2.332 1.00 0.00 H new ATOM 0 HD23 LEU A 47 24.384 -6.407 -0.755 1.00 0.00 H new ATOM 338 N LYS A 48 26.613 -10.151 -0.926 1.00 0.00 N ATOM 339 CA LYS A 48 26.797 -10.881 0.322 1.00 0.00 C ATOM 340 C LYS A 48 26.212 -10.097 1.493 1.00 0.00 C ATOM 341 O LYS A 48 26.489 -8.906 1.654 1.00 0.00 O ATOM 342 CB LYS A 48 28.288 -11.122 0.564 1.00 0.00 C ATOM 343 CG LYS A 48 28.864 -11.946 -0.589 1.00 0.00 C ATOM 344 CD LYS A 48 30.351 -12.204 -0.344 1.00 0.00 C ATOM 345 CE LYS A 48 30.919 -13.045 -1.488 1.00 0.00 C ATOM 346 NZ LYS A 48 32.368 -13.295 -1.247 1.00 0.00 N ATOM 0 H LYS A 48 27.324 -9.445 -1.116 1.00 0.00 H new ATOM 0 HA LYS A 48 26.278 -11.837 0.245 1.00 0.00 H new ATOM 0 HB2 LYS A 48 28.813 -10.170 0.643 1.00 0.00 H new ATOM 0 HB3 LYS A 48 28.434 -11.646 1.508 1.00 0.00 H new ATOM 0 HG2 LYS A 48 28.330 -12.892 -0.675 1.00 0.00 H new ATOM 0 HG3 LYS A 48 28.727 -11.416 -1.532 1.00 0.00 H new ATOM 0 HD2 LYS A 48 30.888 -11.258 -0.273 1.00 0.00 H new ATOM 0 HD3 LYS A 48 30.489 -12.722 0.605 1.00 0.00 H new ATOM 0 HE2 LYS A 48 30.383 -13.991 -1.560 1.00 0.00 H new ATOM 0 HE3 LYS A 48 30.781 -12.528 -2.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 32.756 -13.867 -2.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 32.874 -12.387 -1.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 32.488 -13.805 -0.349 1.00 0.00 H new ATOM 360 N ILE A 49 25.404 -10.771 2.310 1.00 0.00 N ATOM 361 CA ILE A 49 24.795 -10.119 3.464 1.00 0.00 C ATOM 362 C ILE A 49 24.906 -11.009 4.698 1.00 0.00 C ATOM 363 O ILE A 49 25.070 -12.223 4.585 1.00 0.00 O ATOM 364 CB ILE A 49 23.326 -9.820 3.170 1.00 0.00 C ATOM 365 CG1 ILE A 49 22.547 -11.133 3.028 1.00 0.00 C ATOM 366 CG2 ILE A 49 23.215 -9.026 1.866 1.00 0.00 C ATOM 367 CD1 ILE A 49 21.057 -10.832 2.840 1.00 0.00 C ATOM 0 H ILE A 49 25.159 -11.755 2.196 1.00 0.00 H new ATOM 0 HA ILE A 49 25.322 -9.185 3.659 1.00 0.00 H new ATOM 0 HB ILE A 49 22.910 -9.237 3.992 1.00 0.00 H new ATOM 0 HG12 ILE A 49 22.923 -11.700 2.177 1.00 0.00 H new ATOM 0 HG13 ILE A 49 22.694 -11.752 3.913 1.00 0.00 H new ATOM 0 HG21 ILE A 49 22.166 -8.813 1.658 1.00 0.00 H new ATOM 0 HG22 ILE A 49 23.763 -8.089 1.963 1.00 0.00 H new ATOM 0 HG23 ILE A 49 23.637 -9.610 1.048 1.00 0.00 H new ATOM 0 HD11 ILE A 49 20.507 -11.767 2.739 1.00 0.00 H new ATOM 0 HD12 ILE A 49 20.685 -10.283 3.705 1.00 0.00 H new ATOM 0 HD13 ILE A 49 20.918 -10.231 1.942 1.00 0.00 H new ATOM 379 N LYS A 50 24.808 -10.399 5.872 1.00 0.00 N ATOM 380 CA LYS A 50 24.896 -11.145 7.122 1.00 0.00 C ATOM 381 C LYS A 50 23.837 -10.670 8.112 1.00 0.00 C ATOM 382 O LYS A 50 23.495 -9.489 8.151 1.00 0.00 O ATOM 383 CB LYS A 50 26.286 -10.974 7.734 1.00 0.00 C ATOM 384 CG LYS A 50 26.367 -11.754 9.048 1.00 0.00 C ATOM 385 CD LYS A 50 27.765 -11.598 9.648 1.00 0.00 C ATOM 386 CE LYS A 50 27.815 -12.287 11.013 1.00 0.00 C ATOM 387 NZ LYS A 50 27.616 -13.754 10.839 1.00 0.00 N ATOM 0 H LYS A 50 24.668 -9.395 5.986 1.00 0.00 H new ATOM 0 HA LYS A 50 24.721 -12.199 6.905 1.00 0.00 H new ATOM 0 HB2 LYS A 50 27.047 -11.331 7.040 1.00 0.00 H new ATOM 0 HB3 LYS A 50 26.488 -9.918 7.913 1.00 0.00 H new ATOM 0 HG2 LYS A 50 25.616 -11.387 9.748 1.00 0.00 H new ATOM 0 HG3 LYS A 50 26.151 -12.808 8.872 1.00 0.00 H new ATOM 0 HD2 LYS A 50 28.509 -12.034 8.981 1.00 0.00 H new ATOM 0 HD3 LYS A 50 28.011 -10.541 9.753 1.00 0.00 H new ATOM 0 HE2 LYS A 50 28.774 -12.094 11.494 1.00 0.00 H new ATOM 0 HE3 LYS A 50 27.043 -11.880 11.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 27.914 -14.250 11.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 26.611 -13.949 10.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 28.184 -14.088 10.035 1.00 0.00 H new ATOM 401 N LYS A 51 23.316 -11.600 8.906 1.00 0.00 N ATOM 402 CA LYS A 51 22.292 -11.261 9.888 1.00 0.00 C ATOM 403 C LYS A 51 22.771 -10.131 10.797 1.00 0.00 C ATOM 404 O LYS A 51 23.866 -10.190 11.356 1.00 0.00 O ATOM 405 CB LYS A 51 21.964 -12.488 10.742 1.00 0.00 C ATOM 406 CG LYS A 51 20.858 -12.137 11.739 1.00 0.00 C ATOM 407 CD LYS A 51 20.535 -13.361 12.597 1.00 0.00 C ATOM 408 CE LYS A 51 19.431 -13.008 13.595 1.00 0.00 C ATOM 409 NZ LYS A 51 19.921 -11.949 14.524 1.00 0.00 N ATOM 0 H LYS A 51 23.582 -12.584 8.890 1.00 0.00 H new ATOM 0 HA LYS A 51 21.400 -10.934 9.354 1.00 0.00 H new ATOM 0 HB2 LYS A 51 21.645 -13.313 10.105 1.00 0.00 H new ATOM 0 HB3 LYS A 51 22.855 -12.822 11.274 1.00 0.00 H new ATOM 0 HG2 LYS A 51 21.175 -11.309 12.373 1.00 0.00 H new ATOM 0 HG3 LYS A 51 19.966 -11.807 11.207 1.00 0.00 H new ATOM 0 HD2 LYS A 51 20.216 -14.188 11.963 1.00 0.00 H new ATOM 0 HD3 LYS A 51 21.428 -13.692 13.128 1.00 0.00 H new ATOM 0 HE2 LYS A 51 18.544 -12.660 13.065 1.00 0.00 H new ATOM 0 HE3 LYS A 51 19.138 -13.894 14.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 19.326 -11.933 15.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 20.905 -12.151 14.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 19.874 -11.024 14.052 1.00 0.00 H new ATOM 423 N GLY A 52 21.943 -9.101 10.932 1.00 0.00 N ATOM 424 CA GLY A 52 22.287 -7.956 11.767 1.00 0.00 C ATOM 425 C GLY A 52 22.832 -6.804 10.926 1.00 0.00 C ATOM 426 O GLY A 52 22.883 -5.662 11.383 1.00 0.00 O ATOM 0 H GLY A 52 21.033 -9.035 10.476 1.00 0.00 H new ATOM 0 HA2 GLY A 52 21.405 -7.624 12.315 1.00 0.00 H new ATOM 0 HA3 GLY A 52 23.030 -8.253 12.507 1.00 0.00 H new ATOM 430 N ASP A 53 23.232 -7.108 9.695 1.00 0.00 N ATOM 431 CA ASP A 53 23.762 -6.090 8.799 1.00 0.00 C ATOM 432 C ASP A 53 22.637 -5.211 8.259 1.00 0.00 C ATOM 433 O ASP A 53 21.509 -5.673 8.073 1.00 0.00 O ATOM 434 CB ASP A 53 24.498 -6.752 7.634 1.00 0.00 C ATOM 435 CG ASP A 53 25.314 -5.710 6.877 1.00 0.00 C ATOM 436 OD1 ASP A 53 24.775 -5.122 5.953 1.00 0.00 O ATOM 437 OD2 ASP A 53 26.466 -5.518 7.228 1.00 0.00 O ATOM 0 H ASP A 53 23.199 -8.047 9.298 1.00 0.00 H new ATOM 0 HA ASP A 53 24.457 -5.466 9.360 1.00 0.00 H new ATOM 0 HB2 ASP A 53 25.153 -7.539 8.007 1.00 0.00 H new ATOM 0 HB3 ASP A 53 23.782 -7.225 6.962 1.00 0.00 H new ATOM 442 N ILE A 54 22.951 -3.945 8.002 1.00 0.00 N ATOM 443 CA ILE A 54 21.958 -3.011 7.479 1.00 0.00 C ATOM 444 C ILE A 54 22.273 -2.657 6.031 1.00 0.00 C ATOM 445 O ILE A 54 23.385 -2.242 5.711 1.00 0.00 O ATOM 446 CB ILE A 54 21.940 -1.740 8.328 1.00 0.00 C ATOM 447 CG1 ILE A 54 21.763 -2.114 9.806 1.00 0.00 C ATOM 448 CG2 ILE A 54 20.777 -0.847 7.887 1.00 0.00 C ATOM 449 CD1 ILE A 54 20.457 -2.899 10.001 1.00 0.00 C ATOM 0 H ILE A 54 23.878 -3.544 8.146 1.00 0.00 H new ATOM 0 HA ILE A 54 20.978 -3.486 7.520 1.00 0.00 H new ATOM 0 HB ILE A 54 22.880 -1.204 8.198 1.00 0.00 H new ATOM 0 HG12 ILE A 54 22.610 -2.713 10.141 1.00 0.00 H new ATOM 0 HG13 ILE A 54 21.749 -1.212 10.418 1.00 0.00 H new ATOM 0 HG21 ILE A 54 20.764 0.059 8.492 1.00 0.00 H new ATOM 0 HG22 ILE A 54 20.901 -0.580 6.837 1.00 0.00 H new ATOM 0 HG23 ILE A 54 19.837 -1.383 8.017 1.00 0.00 H new ATOM 0 HD11 ILE A 54 20.342 -3.159 11.053 1.00 0.00 H new ATOM 0 HD12 ILE A 54 19.613 -2.286 9.685 1.00 0.00 H new ATOM 0 HD13 ILE A 54 20.488 -3.810 9.404 1.00 0.00 H new ATOM 461 N ILE A 55 21.286 -2.833 5.159 1.00 0.00 N ATOM 462 CA ILE A 55 21.467 -2.538 3.743 1.00 0.00 C ATOM 463 C ILE A 55 20.497 -1.450 3.293 1.00 0.00 C ATOM 464 O ILE A 55 19.293 -1.542 3.528 1.00 0.00 O ATOM 465 CB ILE A 55 21.237 -3.803 2.917 1.00 0.00 C ATOM 466 CG1 ILE A 55 22.234 -4.878 3.351 1.00 0.00 C ATOM 467 CG2 ILE A 55 21.446 -3.487 1.434 1.00 0.00 C ATOM 468 CD1 ILE A 55 21.845 -6.222 2.729 1.00 0.00 C ATOM 0 H ILE A 55 20.358 -3.176 5.406 1.00 0.00 H new ATOM 0 HA ILE A 55 22.486 -2.183 3.591 1.00 0.00 H new ATOM 0 HB ILE A 55 20.220 -4.162 3.074 1.00 0.00 H new ATOM 0 HG12 ILE A 55 23.241 -4.600 3.041 1.00 0.00 H new ATOM 0 HG13 ILE A 55 22.246 -4.959 4.438 1.00 0.00 H new ATOM 0 HG21 ILE A 55 21.282 -4.388 0.843 1.00 0.00 H new ATOM 0 HG22 ILE A 55 20.740 -2.716 1.123 1.00 0.00 H new ATOM 0 HG23 ILE A 55 22.464 -3.131 1.278 1.00 0.00 H new ATOM 0 HD11 ILE A 55 22.557 -6.986 3.040 1.00 0.00 H new ATOM 0 HD12 ILE A 55 20.845 -6.501 3.061 1.00 0.00 H new ATOM 0 HD13 ILE A 55 21.856 -6.137 1.642 1.00 0.00 H new ATOM 480 N ASP A 56 21.028 -0.424 2.639 1.00 0.00 N ATOM 481 CA ASP A 56 20.200 0.674 2.155 1.00 0.00 C ATOM 482 C ASP A 56 19.454 0.258 0.893 1.00 0.00 C ATOM 483 O ASP A 56 20.074 -0.135 -0.100 1.00 0.00 O ATOM 484 CB ASP A 56 21.070 1.894 1.856 1.00 0.00 C ATOM 485 CG ASP A 56 20.191 3.080 1.475 1.00 0.00 C ATOM 486 OD1 ASP A 56 19.443 3.535 2.325 1.00 0.00 O ATOM 487 OD2 ASP A 56 20.280 3.517 0.340 1.00 0.00 O ATOM 0 H ASP A 56 22.022 -0.329 2.432 1.00 0.00 H new ATOM 0 HA ASP A 56 19.476 0.929 2.929 1.00 0.00 H new ATOM 0 HB2 ASP A 56 21.673 2.143 2.729 1.00 0.00 H new ATOM 0 HB3 ASP A 56 21.762 1.668 1.044 1.00 0.00 H new ATOM 492 N ILE A 57 18.125 0.353 0.938 1.00 0.00 N ATOM 493 CA ILE A 57 17.301 -0.012 -0.209 1.00 0.00 C ATOM 494 C ILE A 57 17.345 1.084 -1.268 1.00 0.00 C ATOM 495 O ILE A 57 17.057 2.247 -0.986 1.00 0.00 O ATOM 496 CB ILE A 57 15.853 -0.232 0.237 1.00 0.00 C ATOM 497 CG1 ILE A 57 15.794 -1.415 1.205 1.00 0.00 C ATOM 498 CG2 ILE A 57 14.981 -0.527 -0.985 1.00 0.00 C ATOM 499 CD1 ILE A 57 14.410 -1.475 1.855 1.00 0.00 C ATOM 0 H ILE A 57 17.601 0.677 1.751 1.00 0.00 H new ATOM 0 HA ILE A 57 17.694 -0.934 -0.637 1.00 0.00 H new ATOM 0 HB ILE A 57 15.485 0.665 0.736 1.00 0.00 H new ATOM 0 HG12 ILE A 57 15.998 -2.344 0.673 1.00 0.00 H new ATOM 0 HG13 ILE A 57 16.563 -1.311 1.971 1.00 0.00 H new ATOM 0 HG21 ILE A 57 13.950 -0.684 -0.667 1.00 0.00 H new ATOM 0 HG22 ILE A 57 15.024 0.316 -1.675 1.00 0.00 H new ATOM 0 HG23 ILE A 57 15.347 -1.424 -1.485 1.00 0.00 H new ATOM 0 HD11 ILE A 57 14.368 -2.318 2.545 1.00 0.00 H new ATOM 0 HD12 ILE A 57 14.224 -0.550 2.401 1.00 0.00 H new ATOM 0 HD13 ILE A 57 13.651 -1.600 1.083 1.00 0.00 H new ATOM 511 N ILE A 58 17.708 0.704 -2.489 1.00 0.00 N ATOM 512 CA ILE A 58 17.785 1.666 -3.582 1.00 0.00 C ATOM 513 C ILE A 58 16.736 1.353 -4.642 1.00 0.00 C ATOM 514 O ILE A 58 16.283 2.244 -5.365 1.00 0.00 O ATOM 515 CB ILE A 58 19.181 1.622 -4.213 1.00 0.00 C ATOM 516 CG1 ILE A 58 19.391 0.278 -4.924 1.00 0.00 C ATOM 517 CG2 ILE A 58 20.237 1.777 -3.119 1.00 0.00 C ATOM 518 CD1 ILE A 58 20.744 0.278 -5.633 1.00 0.00 C ATOM 0 H ILE A 58 17.951 -0.253 -2.745 1.00 0.00 H new ATOM 0 HA ILE A 58 17.596 2.663 -3.183 1.00 0.00 H new ATOM 0 HB ILE A 58 19.271 2.433 -4.936 1.00 0.00 H new ATOM 0 HG12 ILE A 58 19.348 -0.537 -4.202 1.00 0.00 H new ATOM 0 HG13 ILE A 58 18.591 0.108 -5.645 1.00 0.00 H new ATOM 0 HG21 ILE A 58 21.231 1.746 -3.566 1.00 0.00 H new ATOM 0 HG22 ILE A 58 20.097 2.731 -2.611 1.00 0.00 H new ATOM 0 HG23 ILE A 58 20.137 0.965 -2.399 1.00 0.00 H new ATOM 0 HD11 ILE A 58 20.891 -0.677 -6.137 1.00 0.00 H new ATOM 0 HD12 ILE A 58 20.770 1.083 -6.367 1.00 0.00 H new ATOM 0 HD13 ILE A 58 21.538 0.428 -4.902 1.00 0.00 H new ATOM 530 N CYS A 59 16.369 0.076 -4.744 1.00 0.00 N ATOM 531 CA CYS A 59 15.386 -0.342 -5.736 1.00 0.00 C ATOM 532 C CYS A 59 14.908 -1.762 -5.454 1.00 0.00 C ATOM 533 O CYS A 59 15.559 -2.511 -4.729 1.00 0.00 O ATOM 534 CB CYS A 59 15.991 -0.274 -7.141 1.00 0.00 C ATOM 535 SG CYS A 59 14.666 -0.337 -8.373 1.00 0.00 S ATOM 0 H CYS A 59 16.733 -0.676 -4.159 1.00 0.00 H new ATOM 0 HA CYS A 59 14.534 0.335 -5.677 1.00 0.00 H new ATOM 0 HB2 CYS A 59 16.566 0.645 -7.257 1.00 0.00 H new ATOM 0 HB3 CYS A 59 16.682 -1.104 -7.292 1.00 0.00 H new ATOM 0 HG CYS A 59 15.179 -0.277 -9.566 1.00 0.00 H new ATOM 541 N LYS A 60 13.768 -2.130 -6.032 1.00 0.00 N ATOM 542 CA LYS A 60 13.221 -3.469 -5.831 1.00 0.00 C ATOM 543 C LYS A 60 13.120 -4.203 -7.164 1.00 0.00 C ATOM 544 O LYS A 60 12.856 -3.590 -8.203 1.00 0.00 O ATOM 545 CB LYS A 60 11.840 -3.379 -5.190 1.00 0.00 C ATOM 546 CG LYS A 60 11.955 -2.679 -3.835 1.00 0.00 C ATOM 547 CD LYS A 60 10.569 -2.580 -3.195 1.00 0.00 C ATOM 548 CE LYS A 60 10.680 -1.855 -1.852 1.00 0.00 C ATOM 549 NZ LYS A 60 11.166 -0.461 -2.077 1.00 0.00 N ATOM 0 H LYS A 60 13.210 -1.528 -6.637 1.00 0.00 H new ATOM 0 HA LYS A 60 13.888 -4.022 -5.170 1.00 0.00 H new ATOM 0 HB2 LYS A 60 11.160 -2.828 -5.840 1.00 0.00 H new ATOM 0 HB3 LYS A 60 11.420 -4.377 -5.062 1.00 0.00 H new ATOM 0 HG2 LYS A 60 12.630 -3.233 -3.183 1.00 0.00 H new ATOM 0 HG3 LYS A 60 12.381 -1.684 -3.962 1.00 0.00 H new ATOM 0 HD2 LYS A 60 9.889 -2.043 -3.856 1.00 0.00 H new ATOM 0 HD3 LYS A 60 10.151 -3.576 -3.050 1.00 0.00 H new ATOM 0 HE2 LYS A 60 9.710 -1.838 -1.355 1.00 0.00 H new ATOM 0 HE3 LYS A 60 11.366 -2.389 -1.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 10.972 0.115 -1.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 12.190 -0.475 -2.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 10.675 -0.050 -2.896 1.00 0.00 H new ATOM 563 N THR A 61 13.343 -5.516 -7.129 1.00 0.00 N ATOM 564 CA THR A 61 13.291 -6.310 -8.344 1.00 0.00 C ATOM 565 C THR A 61 11.901 -6.935 -8.516 1.00 0.00 C ATOM 566 O THR A 61 11.343 -7.483 -7.562 1.00 0.00 O ATOM 567 CB THR A 61 14.343 -7.417 -8.304 1.00 0.00 C ATOM 568 OG1 THR A 61 15.601 -6.846 -7.986 1.00 0.00 O ATOM 569 CG2 THR A 61 14.436 -8.090 -9.678 1.00 0.00 C ATOM 0 H THR A 61 13.558 -6.042 -6.282 1.00 0.00 H new ATOM 0 HA THR A 61 13.496 -5.652 -9.188 1.00 0.00 H new ATOM 0 HB THR A 61 14.064 -8.157 -7.554 1.00 0.00 H new ATOM 0 HG1 THR A 61 15.707 -6.809 -7.012 1.00 0.00 H new ATOM 0 HG21 THR A 61 15.187 -8.879 -9.646 1.00 0.00 H new ATOM 0 HG22 THR A 61 13.469 -8.520 -9.939 1.00 0.00 H new ATOM 0 HG23 THR A 61 14.718 -7.350 -10.427 1.00 0.00 H new ATOM 577 N PRO A 62 11.339 -6.868 -9.698 1.00 0.00 N ATOM 578 CA PRO A 62 9.987 -7.436 -9.985 1.00 0.00 C ATOM 579 C PRO A 62 9.862 -8.886 -9.517 1.00 0.00 C ATOM 580 O PRO A 62 8.806 -9.304 -9.043 1.00 0.00 O ATOM 581 CB PRO A 62 9.882 -7.349 -11.509 1.00 0.00 C ATOM 582 CG PRO A 62 10.802 -6.245 -11.907 1.00 0.00 C ATOM 583 CD PRO A 62 11.925 -6.236 -10.891 1.00 0.00 C ATOM 0 HA PRO A 62 9.195 -6.899 -9.463 1.00 0.00 H new ATOM 0 HB2 PRO A 62 10.172 -8.290 -11.977 1.00 0.00 H new ATOM 0 HB3 PRO A 62 8.859 -7.140 -11.821 1.00 0.00 H new ATOM 0 HG2 PRO A 62 11.190 -6.406 -12.913 1.00 0.00 H new ATOM 0 HG3 PRO A 62 10.279 -5.289 -11.917 1.00 0.00 H new ATOM 0 HD2 PRO A 62 12.791 -6.791 -11.250 1.00 0.00 H new ATOM 0 HD3 PRO A 62 12.262 -5.221 -10.679 1.00 0.00 H new ATOM 591 N MET A 63 10.945 -9.643 -9.645 1.00 0.00 N ATOM 592 CA MET A 63 10.945 -11.040 -9.228 1.00 0.00 C ATOM 593 C MET A 63 10.609 -11.150 -7.744 1.00 0.00 C ATOM 594 O MET A 63 9.868 -12.042 -7.332 1.00 0.00 O ATOM 595 CB MET A 63 12.318 -11.664 -9.488 1.00 0.00 C ATOM 596 CG MET A 63 12.296 -13.137 -9.076 1.00 0.00 C ATOM 597 SD MET A 63 13.923 -13.871 -9.376 1.00 0.00 S ATOM 598 CE MET A 63 13.834 -13.890 -11.182 1.00 0.00 C ATOM 0 H MET A 63 11.830 -9.315 -10.032 1.00 0.00 H new ATOM 0 HA MET A 63 10.190 -11.574 -9.805 1.00 0.00 H new ATOM 0 HB2 MET A 63 12.576 -11.574 -10.543 1.00 0.00 H new ATOM 0 HB3 MET A 63 13.084 -11.130 -8.926 1.00 0.00 H new ATOM 0 HG2 MET A 63 12.033 -13.227 -8.022 1.00 0.00 H new ATOM 0 HG3 MET A 63 11.534 -13.673 -9.642 1.00 0.00 H new ATOM 0 HE1 MET A 63 14.282 -14.810 -11.559 1.00 0.00 H new ATOM 0 HE2 MET A 63 12.791 -13.839 -11.495 1.00 0.00 H new ATOM 0 HE3 MET A 63 14.375 -13.033 -11.582 1.00 0.00 H new ATOM 608 N GLY A 64 11.153 -10.236 -6.949 1.00 0.00 N ATOM 609 CA GLY A 64 10.900 -10.238 -5.513 1.00 0.00 C ATOM 610 C GLY A 64 12.138 -9.807 -4.738 1.00 0.00 C ATOM 611 O GLY A 64 12.034 -9.186 -3.680 1.00 0.00 O ATOM 0 H GLY A 64 11.768 -9.489 -7.271 1.00 0.00 H new ATOM 0 HA2 GLY A 64 10.072 -9.566 -5.285 1.00 0.00 H new ATOM 0 HA3 GLY A 64 10.597 -11.236 -5.195 1.00 0.00 H new ATOM 615 N MET A 65 13.309 -10.126 -5.276 1.00 0.00 N ATOM 616 CA MET A 65 14.562 -9.765 -4.625 1.00 0.00 C ATOM 617 C MET A 65 14.703 -8.251 -4.522 1.00 0.00 C ATOM 618 O MET A 65 14.228 -7.510 -5.382 1.00 0.00 O ATOM 619 CB MET A 65 15.744 -10.335 -5.409 1.00 0.00 C ATOM 620 CG MET A 65 15.785 -11.854 -5.252 1.00 0.00 C ATOM 621 SD MET A 65 17.112 -12.533 -6.279 1.00 0.00 S ATOM 622 CE MET A 65 18.501 -11.906 -5.300 1.00 0.00 C ATOM 0 H MET A 65 13.417 -10.631 -6.156 1.00 0.00 H new ATOM 0 HA MET A 65 14.555 -10.185 -3.619 1.00 0.00 H new ATOM 0 HB2 MET A 65 15.654 -10.071 -6.463 1.00 0.00 H new ATOM 0 HB3 MET A 65 16.675 -9.898 -5.049 1.00 0.00 H new ATOM 0 HG2 MET A 65 15.949 -12.118 -4.207 1.00 0.00 H new ATOM 0 HG3 MET A 65 14.828 -12.286 -5.544 1.00 0.00 H new ATOM 0 HE1 MET A 65 19.434 -12.089 -5.833 1.00 0.00 H new ATOM 0 HE2 MET A 65 18.379 -10.835 -5.140 1.00 0.00 H new ATOM 0 HE3 MET A 65 18.527 -12.416 -4.337 1.00 0.00 H new ATOM 632 N TRP A 66 15.338 -7.796 -3.448 1.00 0.00 N ATOM 633 CA TRP A 66 15.520 -6.364 -3.229 1.00 0.00 C ATOM 634 C TRP A 66 16.935 -5.934 -3.587 1.00 0.00 C ATOM 635 O TRP A 66 17.879 -6.716 -3.484 1.00 0.00 O ATOM 636 CB TRP A 66 15.232 -6.018 -1.763 1.00 0.00 C ATOM 637 CG TRP A 66 13.760 -6.069 -1.504 1.00 0.00 C ATOM 638 CD1 TRP A 66 12.827 -6.469 -2.395 1.00 0.00 C ATOM 639 CD2 TRP A 66 13.039 -5.714 -0.288 1.00 0.00 C ATOM 640 NE1 TRP A 66 11.581 -6.375 -1.813 1.00 0.00 N ATOM 641 CE2 TRP A 66 11.657 -5.918 -0.510 1.00 0.00 C ATOM 642 CE3 TRP A 66 13.445 -5.239 0.973 1.00 0.00 C ATOM 643 CZ2 TRP A 66 10.711 -5.657 0.484 1.00 0.00 C ATOM 644 CZ3 TRP A 66 12.496 -4.978 1.973 1.00 0.00 C ATOM 645 CH2 TRP A 66 11.132 -5.188 1.729 1.00 0.00 C ATOM 0 H TRP A 66 15.733 -8.391 -2.720 1.00 0.00 H new ATOM 0 HA TRP A 66 14.822 -5.830 -3.874 1.00 0.00 H new ATOM 0 HB2 TRP A 66 15.749 -6.718 -1.107 1.00 0.00 H new ATOM 0 HB3 TRP A 66 15.616 -5.024 -1.533 1.00 0.00 H new ATOM 0 HD1 TRP A 66 13.025 -6.808 -3.401 1.00 0.00 H new ATOM 0 HE1 TRP A 66 10.709 -6.613 -2.286 1.00 0.00 H new ATOM 0 HE3 TRP A 66 14.494 -5.074 1.172 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 9.661 -5.817 0.290 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 12.819 -4.613 2.937 1.00 0.00 H new ATOM 0 HH2 TRP A 66 10.407 -4.987 2.504 1.00 0.00 H new ATOM 656 N THR A 67 17.074 -4.682 -4.010 1.00 0.00 N ATOM 657 CA THR A 67 18.377 -4.145 -4.382 1.00 0.00 C ATOM 658 C THR A 67 18.823 -3.106 -3.361 1.00 0.00 C ATOM 659 O THR A 67 18.027 -2.260 -2.936 1.00 0.00 O ATOM 660 CB THR A 67 18.318 -3.517 -5.772 1.00 0.00 C ATOM 661 OG1 THR A 67 17.931 -4.504 -6.718 1.00 0.00 O ATOM 662 CG2 THR A 67 19.699 -2.970 -6.141 1.00 0.00 C ATOM 0 H THR A 67 16.302 -4.022 -4.104 1.00 0.00 H new ATOM 0 HA THR A 67 19.098 -4.962 -4.399 1.00 0.00 H new ATOM 0 HB THR A 67 17.592 -2.704 -5.776 1.00 0.00 H new ATOM 0 HG1 THR A 67 18.730 -4.938 -7.083 1.00 0.00 H new ATOM 0 HG21 THR A 67 19.659 -2.521 -7.133 1.00 0.00 H new ATOM 0 HG22 THR A 67 19.998 -2.216 -5.413 1.00 0.00 H new ATOM 0 HG23 THR A 67 20.425 -3.783 -6.140 1.00 0.00 H new ATOM 670 N GLY A 68 20.099 -3.169 -2.979 1.00 0.00 N ATOM 671 CA GLY A 68 20.638 -2.229 -2.003 1.00 0.00 C ATOM 672 C GLY A 68 22.147 -2.087 -2.154 1.00 0.00 C ATOM 673 O GLY A 68 22.737 -2.591 -3.112 1.00 0.00 O ATOM 0 H GLY A 68 20.770 -3.854 -3.327 1.00 0.00 H new ATOM 0 HA2 GLY A 68 20.164 -1.256 -2.130 1.00 0.00 H new ATOM 0 HA3 GLY A 68 20.401 -2.570 -0.995 1.00 0.00 H new ATOM 677 N MET A 69 22.765 -1.390 -1.205 1.00 0.00 N ATOM 678 CA MET A 69 24.211 -1.182 -1.246 1.00 0.00 C ATOM 679 C MET A 69 24.864 -1.693 0.035 1.00 0.00 C ATOM 680 O MET A 69 24.269 -1.650 1.109 1.00 0.00 O ATOM 681 CB MET A 69 24.520 0.308 -1.416 1.00 0.00 C ATOM 682 CG MET A 69 23.995 1.078 -0.204 1.00 0.00 C ATOM 683 SD MET A 69 25.376 1.509 0.883 1.00 0.00 S ATOM 684 CE MET A 69 24.389 2.113 2.274 1.00 0.00 C ATOM 0 H MET A 69 22.295 -0.964 -0.407 1.00 0.00 H new ATOM 0 HA MET A 69 24.614 -1.737 -2.093 1.00 0.00 H new ATOM 0 HB2 MET A 69 25.595 0.458 -1.518 1.00 0.00 H new ATOM 0 HB3 MET A 69 24.057 0.685 -2.328 1.00 0.00 H new ATOM 0 HG2 MET A 69 23.479 1.981 -0.529 1.00 0.00 H new ATOM 0 HG3 MET A 69 23.268 0.473 0.337 1.00 0.00 H new ATOM 0 HE1 MET A 69 25.051 2.487 3.055 1.00 0.00 H new ATOM 0 HE2 MET A 69 23.737 2.918 1.935 1.00 0.00 H new ATOM 0 HE3 MET A 69 23.784 1.298 2.672 1.00 0.00 H new ATOM 694 N LEU A 70 26.092 -2.183 -0.091 1.00 0.00 N ATOM 695 CA LEU A 70 26.819 -2.706 1.055 1.00 0.00 C ATOM 696 C LEU A 70 28.324 -2.539 0.861 1.00 0.00 C ATOM 697 O LEU A 70 28.909 -3.119 -0.055 1.00 0.00 O ATOM 698 CB LEU A 70 26.486 -4.187 1.255 1.00 0.00 C ATOM 699 CG LEU A 70 26.045 -4.421 2.701 1.00 0.00 C ATOM 700 CD1 LEU A 70 25.492 -5.843 2.841 1.00 0.00 C ATOM 701 CD2 LEU A 70 27.243 -4.249 3.639 1.00 0.00 C ATOM 0 H LEU A 70 26.602 -2.228 -0.973 1.00 0.00 H new ATOM 0 HA LEU A 70 26.516 -2.144 1.939 1.00 0.00 H new ATOM 0 HB2 LEU A 70 25.694 -4.488 0.569 1.00 0.00 H new ATOM 0 HB3 LEU A 70 27.357 -4.801 1.026 1.00 0.00 H new ATOM 0 HG LEU A 70 25.272 -3.699 2.964 1.00 0.00 H new ATOM 0 HD11 LEU A 70 25.177 -6.011 3.871 1.00 0.00 H new ATOM 0 HD12 LEU A 70 24.638 -5.968 2.176 1.00 0.00 H new ATOM 0 HD13 LEU A 70 26.267 -6.562 2.576 1.00 0.00 H new ATOM 0 HD21 LEU A 70 26.926 -4.416 4.668 1.00 0.00 H new ATOM 0 HD22 LEU A 70 28.017 -4.970 3.376 1.00 0.00 H new ATOM 0 HD23 LEU A 70 27.640 -3.238 3.541 1.00 0.00 H new ATOM 713 N ASN A 71 28.947 -1.758 1.736 1.00 0.00 N ATOM 714 CA ASN A 71 30.388 -1.534 1.658 1.00 0.00 C ATOM 715 C ASN A 71 30.777 -1.106 0.248 1.00 0.00 C ATOM 716 O ASN A 71 31.655 -1.710 -0.369 1.00 0.00 O ATOM 717 CB ASN A 71 31.138 -2.816 2.025 1.00 0.00 C ATOM 718 CG ASN A 71 30.640 -3.342 3.364 1.00 0.00 C ATOM 719 OD1 ASN A 71 30.265 -4.587 3.458 1.00 0.00 O flip ATOM 720 ND2 ASN A 71 30.586 -2.601 4.347 1.00 0.00 N flip ATOM 0 H ASN A 71 28.482 -1.272 2.503 1.00 0.00 H new ATOM 0 HA ASN A 71 30.656 -0.745 2.360 1.00 0.00 H new ATOM 0 HB2 ASN A 71 30.990 -3.569 1.251 1.00 0.00 H new ATOM 0 HB3 ASN A 71 32.209 -2.619 2.077 1.00 0.00 H new ATOM 0 HD21 ASN A 71 30.881 -1.628 4.269 1.00 0.00 H new ATOM 0 HD22 ASN A 71 30.247 -2.961 5.239 1.00 0.00 H new ATOM 727 N ASN A 72 30.112 -0.075 -0.263 1.00 0.00 N ATOM 728 CA ASN A 72 30.390 0.418 -1.606 1.00 0.00 C ATOM 729 C ASN A 72 30.152 -0.684 -2.632 1.00 0.00 C ATOM 730 O ASN A 72 30.745 -0.679 -3.711 1.00 0.00 O ATOM 731 CB ASN A 72 31.839 0.903 -1.703 1.00 0.00 C ATOM 732 CG ASN A 72 32.083 2.019 -0.694 1.00 0.00 C ATOM 733 OD1 ASN A 72 31.224 2.879 -0.498 1.00 0.00 O ATOM 734 ND2 ASN A 72 33.211 2.059 -0.041 1.00 0.00 N ATOM 0 H ASN A 72 29.379 0.434 0.231 1.00 0.00 H new ATOM 0 HA ASN A 72 29.719 1.251 -1.813 1.00 0.00 H new ATOM 0 HB2 ASN A 72 32.522 0.075 -1.514 1.00 0.00 H new ATOM 0 HB3 ASN A 72 32.044 1.262 -2.712 1.00 0.00 H new ATOM 0 HD21 ASN A 72 33.383 2.804 0.634 1.00 0.00 H new ATOM 0 HD22 ASN A 72 33.921 1.345 -0.205 1.00 0.00 H new ATOM 741 N LYS A 73 29.279 -1.628 -2.289 1.00 0.00 N ATOM 742 CA LYS A 73 28.973 -2.731 -3.192 1.00 0.00 C ATOM 743 C LYS A 73 27.465 -2.894 -3.344 1.00 0.00 C ATOM 744 O LYS A 73 26.773 -3.266 -2.404 1.00 0.00 O ATOM 745 CB LYS A 73 29.577 -4.029 -2.645 1.00 0.00 C ATOM 746 CG LYS A 73 29.856 -4.986 -3.805 1.00 0.00 C ATOM 747 CD LYS A 73 30.184 -6.376 -3.255 1.00 0.00 C ATOM 748 CE LYS A 73 31.562 -6.817 -3.756 1.00 0.00 C ATOM 749 NZ LYS A 73 32.602 -6.394 -2.776 1.00 0.00 N ATOM 0 H LYS A 73 28.776 -1.651 -1.402 1.00 0.00 H new ATOM 0 HA LYS A 73 29.403 -2.511 -4.169 1.00 0.00 H new ATOM 0 HB2 LYS A 73 30.500 -3.815 -2.105 1.00 0.00 H new ATOM 0 HB3 LYS A 73 28.892 -4.491 -1.934 1.00 0.00 H new ATOM 0 HG2 LYS A 73 28.988 -5.039 -4.463 1.00 0.00 H new ATOM 0 HG3 LYS A 73 30.688 -4.615 -4.404 1.00 0.00 H new ATOM 0 HD2 LYS A 73 30.171 -6.359 -2.165 1.00 0.00 H new ATOM 0 HD3 LYS A 73 29.425 -7.091 -3.572 1.00 0.00 H new ATOM 0 HE2 LYS A 73 31.586 -7.899 -3.884 1.00 0.00 H new ATOM 0 HE3 LYS A 73 31.765 -6.376 -4.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 33.539 -6.692 -3.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 32.584 -5.359 -2.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 32.410 -6.835 -1.854 1.00 0.00 H new ATOM 763 N VAL A 74 26.964 -2.625 -4.542 1.00 0.00 N ATOM 764 CA VAL A 74 25.533 -2.749 -4.806 1.00 0.00 C ATOM 765 C VAL A 74 25.225 -4.067 -5.501 1.00 0.00 C ATOM 766 O VAL A 74 25.976 -4.511 -6.370 1.00 0.00 O ATOM 767 CB VAL A 74 25.063 -1.586 -5.684 1.00 0.00 C ATOM 768 CG1 VAL A 74 25.094 -0.288 -4.875 1.00 0.00 C ATOM 769 CG2 VAL A 74 25.991 -1.452 -6.897 1.00 0.00 C ATOM 0 H VAL A 74 27.520 -2.322 -5.342 1.00 0.00 H new ATOM 0 HA VAL A 74 25.005 -2.725 -3.853 1.00 0.00 H new ATOM 0 HB VAL A 74 24.045 -1.778 -6.024 1.00 0.00 H new ATOM 0 HG11 VAL A 74 24.759 0.539 -5.501 1.00 0.00 H new ATOM 0 HG12 VAL A 74 24.434 -0.381 -4.013 1.00 0.00 H new ATOM 0 HG13 VAL A 74 26.111 -0.096 -4.534 1.00 0.00 H new ATOM 0 HG21 VAL A 74 25.656 -0.624 -7.522 1.00 0.00 H new ATOM 0 HG22 VAL A 74 27.009 -1.261 -6.557 1.00 0.00 H new ATOM 0 HG23 VAL A 74 25.969 -2.375 -7.476 1.00 0.00 H new ATOM 779 N GLY A 75 24.121 -4.697 -5.107 1.00 0.00 N ATOM 780 CA GLY A 75 23.731 -5.971 -5.697 1.00 0.00 C ATOM 781 C GLY A 75 22.335 -6.376 -5.232 1.00 0.00 C ATOM 782 O GLY A 75 21.665 -5.628 -4.507 1.00 0.00 O ATOM 0 H GLY A 75 23.487 -4.349 -4.388 1.00 0.00 H new ATOM 0 HA2 GLY A 75 23.750 -5.895 -6.784 1.00 0.00 H new ATOM 0 HA3 GLY A 75 24.450 -6.742 -5.419 1.00 0.00 H new ATOM 786 N ASN A 76 21.901 -7.561 -5.655 1.00 0.00 N ATOM 787 CA ASN A 76 20.583 -8.056 -5.282 1.00 0.00 C ATOM 788 C ASN A 76 20.702 -9.131 -4.202 1.00 0.00 C ATOM 789 O ASN A 76 21.698 -9.851 -4.129 1.00 0.00 O ATOM 790 CB ASN A 76 19.877 -8.639 -6.508 1.00 0.00 C ATOM 791 CG ASN A 76 19.724 -7.565 -7.580 1.00 0.00 C ATOM 792 OD1 ASN A 76 19.459 -6.406 -7.264 1.00 0.00 O ATOM 793 ND2 ASN A 76 19.869 -7.884 -8.836 1.00 0.00 N ATOM 0 H ASN A 76 22.439 -8.190 -6.251 1.00 0.00 H new ATOM 0 HA ASN A 76 20.000 -7.223 -4.890 1.00 0.00 H new ATOM 0 HB2 ASN A 76 20.449 -9.479 -6.902 1.00 0.00 H new ATOM 0 HB3 ASN A 76 18.898 -9.025 -6.225 1.00 0.00 H new ATOM 0 HD21 ASN A 76 19.763 -7.172 -9.559 1.00 0.00 H new ATOM 0 HD22 ASN A 76 20.089 -8.846 -9.096 1.00 0.00 H new ATOM 800 N PHE A 77 19.677 -9.230 -3.363 1.00 0.00 N ATOM 801 CA PHE A 77 19.668 -10.216 -2.289 1.00 0.00 C ATOM 802 C PHE A 77 18.252 -10.720 -2.031 1.00 0.00 C ATOM 803 O PHE A 77 17.269 -10.043 -2.352 1.00 0.00 O ATOM 804 CB PHE A 77 20.246 -9.597 -1.014 1.00 0.00 C ATOM 805 CG PHE A 77 19.436 -8.382 -0.635 1.00 0.00 C ATOM 806 CD1 PHE A 77 18.353 -8.503 0.240 1.00 0.00 C ATOM 807 CD2 PHE A 77 19.773 -7.130 -1.165 1.00 0.00 C ATOM 808 CE1 PHE A 77 17.606 -7.371 0.588 1.00 0.00 C ATOM 809 CE2 PHE A 77 19.025 -5.999 -0.819 1.00 0.00 C ATOM 810 CZ PHE A 77 17.942 -6.119 0.060 1.00 0.00 C ATOM 0 H PHE A 77 18.845 -8.642 -3.405 1.00 0.00 H new ATOM 0 HA PHE A 77 20.284 -11.064 -2.589 1.00 0.00 H new ATOM 0 HB2 PHE A 77 20.230 -10.326 -0.203 1.00 0.00 H new ATOM 0 HB3 PHE A 77 21.288 -9.318 -1.172 1.00 0.00 H new ATOM 0 HD1 PHE A 77 18.093 -9.469 0.647 1.00 0.00 H new ATOM 0 HD2 PHE A 77 20.610 -7.037 -1.841 1.00 0.00 H new ATOM 0 HE1 PHE A 77 16.769 -7.464 1.265 1.00 0.00 H new ATOM 0 HE2 PHE A 77 19.283 -5.034 -1.230 1.00 0.00 H new ATOM 0 HZ PHE A 77 17.366 -5.246 0.330 1.00 0.00 H new ATOM 820 N LYS A 78 18.156 -11.917 -1.456 1.00 0.00 N ATOM 821 CA LYS A 78 16.857 -12.507 -1.168 1.00 0.00 C ATOM 822 C LYS A 78 16.123 -11.714 -0.093 1.00 0.00 C ATOM 823 O LYS A 78 16.618 -11.536 1.018 1.00 0.00 O ATOM 824 CB LYS A 78 17.035 -13.957 -0.708 1.00 0.00 C ATOM 825 CG LYS A 78 17.281 -14.859 -1.919 1.00 0.00 C ATOM 826 CD LYS A 78 17.505 -16.298 -1.448 1.00 0.00 C ATOM 827 CE LYS A 78 17.550 -17.231 -2.659 1.00 0.00 C ATOM 828 NZ LYS A 78 18.689 -16.846 -3.539 1.00 0.00 N ATOM 0 H LYS A 78 18.955 -12.490 -1.184 1.00 0.00 H new ATOM 0 HA LYS A 78 16.261 -12.483 -2.081 1.00 0.00 H new ATOM 0 HB2 LYS A 78 17.873 -14.028 -0.014 1.00 0.00 H new ATOM 0 HB3 LYS A 78 16.147 -14.289 -0.170 1.00 0.00 H new ATOM 0 HG2 LYS A 78 16.429 -14.816 -2.597 1.00 0.00 H new ATOM 0 HG3 LYS A 78 18.150 -14.508 -2.476 1.00 0.00 H new ATOM 0 HD2 LYS A 78 18.437 -16.367 -0.888 1.00 0.00 H new ATOM 0 HD3 LYS A 78 16.704 -16.600 -0.773 1.00 0.00 H new ATOM 0 HE2 LYS A 78 17.662 -18.265 -2.332 1.00 0.00 H new ATOM 0 HE3 LYS A 78 16.613 -17.172 -3.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 19.057 -17.691 -4.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 18.363 -16.158 -4.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 19.443 -16.420 -2.964 1.00 0.00 H new ATOM 842 N PHE A 79 14.934 -11.239 -0.438 1.00 0.00 N ATOM 843 CA PHE A 79 14.127 -10.467 0.501 1.00 0.00 C ATOM 844 C PHE A 79 13.630 -11.355 1.635 1.00 0.00 C ATOM 845 O PHE A 79 13.420 -10.889 2.751 1.00 0.00 O ATOM 846 CB PHE A 79 12.936 -9.837 -0.220 1.00 0.00 C ATOM 847 CG PHE A 79 12.051 -10.929 -0.775 1.00 0.00 C ATOM 848 CD1 PHE A 79 10.991 -11.431 -0.013 1.00 0.00 C ATOM 849 CD2 PHE A 79 12.294 -11.438 -2.056 1.00 0.00 C ATOM 850 CE1 PHE A 79 10.175 -12.442 -0.534 1.00 0.00 C ATOM 851 CE2 PHE A 79 11.483 -12.447 -2.577 1.00 0.00 C ATOM 852 CZ PHE A 79 10.420 -12.951 -1.816 1.00 0.00 C ATOM 0 H PHE A 79 14.508 -11.373 -1.355 1.00 0.00 H new ATOM 0 HA PHE A 79 14.751 -9.677 0.920 1.00 0.00 H new ATOM 0 HB2 PHE A 79 12.370 -9.210 0.469 1.00 0.00 H new ATOM 0 HB3 PHE A 79 13.285 -9.191 -1.026 1.00 0.00 H new ATOM 0 HD1 PHE A 79 10.802 -11.039 0.976 1.00 0.00 H new ATOM 0 HD2 PHE A 79 13.112 -11.048 -2.643 1.00 0.00 H new ATOM 0 HE1 PHE A 79 9.356 -12.830 0.053 1.00 0.00 H new ATOM 0 HE2 PHE A 79 11.674 -12.839 -3.565 1.00 0.00 H new ATOM 0 HZ PHE A 79 9.790 -13.731 -2.217 1.00 0.00 H new ATOM 862 N ILE A 80 13.440 -12.636 1.341 1.00 0.00 N ATOM 863 CA ILE A 80 12.967 -13.577 2.350 1.00 0.00 C ATOM 864 C ILE A 80 13.945 -13.656 3.520 1.00 0.00 C ATOM 865 O ILE A 80 13.572 -14.058 4.622 1.00 0.00 O ATOM 866 CB ILE A 80 12.798 -14.964 1.731 1.00 0.00 C ATOM 867 CG1 ILE A 80 14.117 -15.393 1.088 1.00 0.00 C ATOM 868 CG2 ILE A 80 11.703 -14.920 0.664 1.00 0.00 C ATOM 869 CD1 ILE A 80 14.063 -16.881 0.745 1.00 0.00 C ATOM 0 H ILE A 80 13.604 -13.045 0.421 1.00 0.00 H new ATOM 0 HA ILE A 80 12.005 -13.223 2.722 1.00 0.00 H new ATOM 0 HB ILE A 80 12.518 -15.677 2.506 1.00 0.00 H new ATOM 0 HG12 ILE A 80 14.300 -14.809 0.186 1.00 0.00 H new ATOM 0 HG13 ILE A 80 14.945 -15.197 1.769 1.00 0.00 H new ATOM 0 HG21 ILE A 80 11.584 -15.910 0.224 1.00 0.00 H new ATOM 0 HG22 ILE A 80 10.763 -14.610 1.120 1.00 0.00 H new ATOM 0 HG23 ILE A 80 11.981 -14.208 -0.113 1.00 0.00 H new ATOM 0 HD11 ILE A 80 15.005 -17.183 0.287 1.00 0.00 H new ATOM 0 HD12 ILE A 80 13.900 -17.458 1.655 1.00 0.00 H new ATOM 0 HD13 ILE A 80 13.245 -17.064 0.048 1.00 0.00 H new ATOM 881 N TYR A 81 15.191 -13.261 3.277 1.00 0.00 N ATOM 882 CA TYR A 81 16.203 -13.278 4.319 1.00 0.00 C ATOM 883 C TYR A 81 16.449 -11.871 4.862 1.00 0.00 C ATOM 884 O TYR A 81 17.295 -11.677 5.737 1.00 0.00 O ATOM 885 CB TYR A 81 17.509 -13.847 3.755 1.00 0.00 C ATOM 886 CG TYR A 81 17.275 -15.257 3.258 1.00 0.00 C ATOM 887 CD1 TYR A 81 17.896 -15.698 2.084 1.00 0.00 C ATOM 888 CD2 TYR A 81 16.438 -16.125 3.972 1.00 0.00 C ATOM 889 CE1 TYR A 81 17.678 -17.003 1.626 1.00 0.00 C ATOM 890 CE2 TYR A 81 16.221 -17.426 3.515 1.00 0.00 C ATOM 891 CZ TYR A 81 16.841 -17.867 2.342 1.00 0.00 C ATOM 892 OH TYR A 81 16.628 -19.152 1.892 1.00 0.00 O ATOM 0 H TYR A 81 15.520 -12.927 2.371 1.00 0.00 H new ATOM 0 HA TYR A 81 15.848 -13.906 5.136 1.00 0.00 H new ATOM 0 HB2 TYR A 81 17.870 -13.219 2.941 1.00 0.00 H new ATOM 0 HB3 TYR A 81 18.281 -13.845 4.525 1.00 0.00 H new ATOM 0 HD1 TYR A 81 18.543 -15.032 1.532 1.00 0.00 H new ATOM 0 HD2 TYR A 81 15.959 -15.786 4.879 1.00 0.00 H new ATOM 0 HE1 TYR A 81 18.156 -17.343 0.719 1.00 0.00 H new ATOM 0 HE2 TYR A 81 15.574 -18.092 4.067 1.00 0.00 H new ATOM 0 HH TYR A 81 16.023 -19.618 2.506 1.00 0.00 H new ATOM 902 N VAL A 82 15.708 -10.897 4.342 1.00 0.00 N ATOM 903 CA VAL A 82 15.859 -9.520 4.780 1.00 0.00 C ATOM 904 C VAL A 82 14.511 -8.929 5.179 1.00 0.00 C ATOM 905 O VAL A 82 13.511 -9.107 4.489 1.00 0.00 O ATOM 906 CB VAL A 82 16.478 -8.686 3.654 1.00 0.00 C ATOM 907 CG1 VAL A 82 16.623 -7.235 4.116 1.00 0.00 C ATOM 908 CG2 VAL A 82 17.859 -9.254 3.288 1.00 0.00 C ATOM 0 H VAL A 82 15.001 -11.038 3.620 1.00 0.00 H new ATOM 0 HA VAL A 82 16.515 -9.502 5.650 1.00 0.00 H new ATOM 0 HB VAL A 82 15.832 -8.724 2.777 1.00 0.00 H new ATOM 0 HG11 VAL A 82 17.063 -6.641 3.316 1.00 0.00 H new ATOM 0 HG12 VAL A 82 15.641 -6.834 4.368 1.00 0.00 H new ATOM 0 HG13 VAL A 82 17.268 -7.195 4.994 1.00 0.00 H new ATOM 0 HG21 VAL A 82 18.297 -8.659 2.487 1.00 0.00 H new ATOM 0 HG22 VAL A 82 18.510 -9.220 4.162 1.00 0.00 H new ATOM 0 HG23 VAL A 82 17.751 -10.286 2.955 1.00 0.00 H new ATOM 918 N ASP A 83 14.496 -8.213 6.292 1.00 0.00 N ATOM 919 CA ASP A 83 13.273 -7.587 6.773 1.00 0.00 C ATOM 920 C ASP A 83 13.367 -6.069 6.646 1.00 0.00 C ATOM 921 O ASP A 83 14.419 -5.478 6.869 1.00 0.00 O ATOM 922 CB ASP A 83 13.022 -7.968 8.230 1.00 0.00 C ATOM 923 CG ASP A 83 11.592 -7.611 8.623 1.00 0.00 C ATOM 924 OD1 ASP A 83 10.778 -7.439 7.729 1.00 0.00 O ATOM 925 OD2 ASP A 83 11.331 -7.514 9.810 1.00 0.00 O ATOM 0 H ASP A 83 15.314 -8.051 6.879 1.00 0.00 H new ATOM 0 HA ASP A 83 12.442 -7.942 6.164 1.00 0.00 H new ATOM 0 HB2 ASP A 83 13.191 -9.036 8.370 1.00 0.00 H new ATOM 0 HB3 ASP A 83 13.727 -7.447 8.878 1.00 0.00 H new ATOM 930 N VAL A 84 12.256 -5.447 6.289 1.00 0.00 N ATOM 931 CA VAL A 84 12.219 -3.993 6.134 1.00 0.00 C ATOM 932 C VAL A 84 11.915 -3.314 7.467 1.00 0.00 C ATOM 933 O VAL A 84 10.925 -3.626 8.127 1.00 0.00 O ATOM 934 CB VAL A 84 11.151 -3.598 5.103 1.00 0.00 C ATOM 935 CG1 VAL A 84 9.865 -4.397 5.350 1.00 0.00 C ATOM 936 CG2 VAL A 84 10.852 -2.101 5.228 1.00 0.00 C ATOM 0 H VAL A 84 11.371 -5.917 6.101 1.00 0.00 H new ATOM 0 HA VAL A 84 13.198 -3.664 5.787 1.00 0.00 H new ATOM 0 HB VAL A 84 11.522 -3.816 4.102 1.00 0.00 H new ATOM 0 HG11 VAL A 84 9.112 -4.111 4.615 1.00 0.00 H new ATOM 0 HG12 VAL A 84 10.075 -5.463 5.259 1.00 0.00 H new ATOM 0 HG13 VAL A 84 9.492 -4.186 6.352 1.00 0.00 H new ATOM 0 HG21 VAL A 84 10.094 -1.819 4.497 1.00 0.00 H new ATOM 0 HG22 VAL A 84 10.486 -1.886 6.232 1.00 0.00 H new ATOM 0 HG23 VAL A 84 11.763 -1.531 5.044 1.00 0.00 H new ATOM 946 N ILE A 85 12.773 -2.379 7.855 1.00 0.00 N ATOM 947 CA ILE A 85 12.587 -1.658 9.108 1.00 0.00 C ATOM 948 C ILE A 85 12.624 -0.151 8.874 1.00 0.00 C ATOM 949 O ILE A 85 13.092 0.312 7.834 1.00 0.00 O ATOM 950 CB ILE A 85 13.677 -2.049 10.108 1.00 0.00 C ATOM 951 CG1 ILE A 85 15.053 -1.760 9.503 1.00 0.00 C ATOM 952 CG2 ILE A 85 13.565 -3.543 10.424 1.00 0.00 C ATOM 953 CD1 ILE A 85 16.099 -1.708 10.613 1.00 0.00 C ATOM 0 H ILE A 85 13.599 -2.103 7.324 1.00 0.00 H new ATOM 0 HA ILE A 85 11.612 -1.926 9.514 1.00 0.00 H new ATOM 0 HB ILE A 85 13.554 -1.471 11.024 1.00 0.00 H new ATOM 0 HG12 ILE A 85 15.313 -2.533 8.780 1.00 0.00 H new ATOM 0 HG13 ILE A 85 15.033 -0.813 8.964 1.00 0.00 H new ATOM 0 HG21 ILE A 85 14.341 -3.823 11.136 1.00 0.00 H new ATOM 0 HG22 ILE A 85 12.585 -3.752 10.854 1.00 0.00 H new ATOM 0 HG23 ILE A 85 13.689 -4.119 9.507 1.00 0.00 H new ATOM 0 HD11 ILE A 85 17.078 -1.502 10.181 1.00 0.00 H new ATOM 0 HD12 ILE A 85 15.841 -0.919 11.319 1.00 0.00 H new ATOM 0 HD13 ILE A 85 16.126 -2.666 11.133 1.00 0.00 H new ATOM 965 N SER A 86 12.134 0.608 9.848 1.00 0.00 N ATOM 966 CA SER A 86 12.121 2.062 9.736 1.00 0.00 C ATOM 967 C SER A 86 13.212 2.677 10.608 1.00 0.00 C ATOM 968 O SER A 86 13.335 2.351 11.789 1.00 0.00 O ATOM 969 CB SER A 86 10.758 2.605 10.164 1.00 0.00 C ATOM 970 OG SER A 86 10.801 4.026 10.172 1.00 0.00 O ATOM 0 H SER A 86 11.743 0.244 10.717 1.00 0.00 H new ATOM 0 HA SER A 86 12.309 2.329 8.696 1.00 0.00 H new ATOM 0 HB2 SER A 86 9.984 2.257 9.480 1.00 0.00 H new ATOM 0 HB3 SER A 86 10.500 2.232 11.155 1.00 0.00 H new ATOM 0 HG SER A 86 9.928 4.378 10.444 1.00 0.00 H new ATOM 976 N GLU A 87 14.000 3.570 10.018 1.00 0.00 N ATOM 977 CA GLU A 87 15.077 4.227 10.750 1.00 0.00 C ATOM 978 C GLU A 87 14.828 5.729 10.835 1.00 0.00 C ATOM 979 O GLU A 87 15.781 6.456 11.061 1.00 0.00 O ATOM 980 CB GLU A 87 16.415 3.968 10.055 1.00 0.00 C ATOM 981 CG GLU A 87 17.536 3.952 11.096 1.00 0.00 C ATOM 982 CD GLU A 87 18.809 3.378 10.483 1.00 0.00 C ATOM 983 OE1 GLU A 87 19.171 3.814 9.403 1.00 0.00 O ATOM 984 OE2 GLU A 87 19.403 2.511 11.103 1.00 0.00 O ATOM 0 H GLU A 87 13.914 3.854 9.042 1.00 0.00 H new ATOM 0 HA GLU A 87 15.107 3.817 11.760 1.00 0.00 H new ATOM 0 HB2 GLU A 87 16.383 3.016 9.525 1.00 0.00 H new ATOM 0 HB3 GLU A 87 16.606 4.741 9.311 1.00 0.00 H new ATOM 0 HG2 GLU A 87 17.721 4.963 11.459 1.00 0.00 H new ATOM 0 HG3 GLU A 87 17.236 3.355 11.957 1.00 0.00 H new TER 991 GLU A 87