USER MOD reduce.3.24.130724 H: found=0, std=0, add=1339, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1338 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 4 SER OG : rot 180:sc= 0.0153 USER MOD Single : A 5 GLN : amide:sc= -0.0172 K(o=-0.017,f=-1.7!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 HIS : no HD1:sc= -1.53 K(o=-1.5,f=-0.35) USER MOD Single : A 15 MET CE :methyl 168:sc= -1.32 (180deg=-2.43) USER MOD Single : A 18 LYS NZ :NH3+ -164:sc= 0.622 (180deg=0.401) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ -160:sc= -0.301 (180deg=-1.26!) USER MOD Single : A 33 LYS NZ :NH3+ -121:sc= -1.42 (180deg=-2.08) USER MOD Single : A 41 LYS NZ :NH3+ -113:sc= -0.0953 (180deg=-2.85!) USER MOD Single : A 43 TYR OH : rot 180:sc= -0.468 USER MOD Single : A 48 GLN : amide:sc= -2.78! K(o=-2.8!,f=-0.38) USER MOD Single : A 53 LYS NZ :NH3+ 171:sc= 0.399 (180deg=0.122) USER MOD Single : A 54 LYS NZ :NH3+ 164:sc=0.000514 (180deg=-0.231) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 105:sc= 0.758 USER MOD Single : A 67 CYS SG : rot -59:sc= 0.938 USER MOD Single : A 70 ASN : amide:sc= -0.169 X(o=-0.17,f=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -1.32! X(o=-1.3!,f=-1.6) USER MOD Single : A 74 SER OG : rot 76:sc= 0.0664 USER MOD Single : A 77 CYS SG : rot -18:sc= -0.107 USER MOD Single : A 80 CYS SG : rot -140:sc= -0.68 USER MOD Single : A 85 CYS SG : rot 180:sc= -0.85 USER MOD Single : B 4 SER OG : rot 180:sc= 0.0191 USER MOD Single : B 5 GLN : amide:sc= -0.0192 K(o=-0.019,f=-1.6!) USER MOD Single : B 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 7 HIS : no HD1:sc= -1.55 K(o=-1.5,f=-0.36) USER MOD Single : B 15 MET CE :methyl 168:sc= -1.28 (180deg=-2.62) USER MOD Single : B 18 LYS NZ :NH3+ -168:sc= 0.642 (180deg=0.139) USER MOD Single : B 22 SER OG : rot 180:sc= 0 USER MOD Single : B 32 LYS NZ :NH3+ -148:sc= -0.285 (180deg=-1.22!) USER MOD Single : B 33 LYS NZ :NH3+ -122:sc= -1.39 (180deg=-2.21) USER MOD Single : B 41 LYS NZ :NH3+ -116:sc= -0.121 (180deg=-2.82!) USER MOD Single : B 43 TYR OH : rot 180:sc= -0.566 USER MOD Single : B 48 GLN : amide:sc= -2.97! K(o=-3!,f=-0.34) USER MOD Single : B 53 LYS NZ :NH3+ 168:sc= -0.354! (180deg=-0.439!) USER MOD Single : B 54 LYS NZ :NH3+ 166:sc= -0.0367 (180deg=-0.112) USER MOD Single : B 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 66 THR OG1 : rot 72:sc= 0.843 USER MOD Single : B 67 CYS SG : rot -32:sc= 0.783 USER MOD Single : B 70 ASN : amide:sc= -0.187 X(o=-0.19,f=0) USER MOD Single : B 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 73 GLN : amide:sc= -1.07! K(o=-1.1!,f=-1.6) USER MOD Single : B 74 SER OG : rot 76:sc= 0.0792 USER MOD Single : B 77 CYS SG : rot -17:sc= -0.129 USER MOD Single : B 80 CYS SG : rot -140:sc= -0.671 USER MOD Single : B 85 CYS SG : rot 180:sc= -0.863 USER MOD ----------------------------------------------------------------- ATOM 48 N SER A 4 121.587 -11.004 4.784 1.00 0.63 N ATOM 49 CA SER A 4 121.470 -12.259 3.985 1.00 0.61 C ATOM 50 C SER A 4 122.773 -13.056 4.088 1.00 0.60 C ATOM 51 O SER A 4 123.725 -12.641 4.720 1.00 0.57 O ATOM 52 CB SER A 4 121.200 -11.912 2.521 1.00 0.63 C ATOM 53 OG SER A 4 122.390 -11.410 1.930 1.00 1.51 O ATOM 0 HA SER A 4 120.646 -12.858 4.373 1.00 0.61 H new ATOM 0 HB2 SER A 4 120.858 -12.796 1.983 1.00 0.63 H new ATOM 0 HB3 SER A 4 120.405 -11.170 2.452 1.00 0.63 H new ATOM 0 HG SER A 4 122.220 -11.188 0.991 1.00 1.51 H new ATOM 59 N GLN A 5 122.809 -14.211 3.477 1.00 0.63 N ATOM 60 CA GLN A 5 124.029 -15.065 3.535 1.00 0.64 C ATOM 61 C GLN A 5 125.227 -14.337 2.927 1.00 0.60 C ATOM 62 O GLN A 5 126.363 -14.668 3.203 1.00 0.59 O ATOM 63 CB GLN A 5 123.780 -16.373 2.780 1.00 0.71 C ATOM 64 CG GLN A 5 122.787 -17.228 3.569 1.00 1.34 C ATOM 65 CD GLN A 5 122.403 -18.461 2.751 1.00 1.60 C ATOM 66 OE1 GLN A 5 122.541 -18.473 1.544 1.00 2.09 O ATOM 67 NE2 GLN A 5 121.924 -19.509 3.365 1.00 2.18 N ATOM 0 H GLN A 5 122.038 -14.601 2.936 1.00 0.63 H new ATOM 0 HA GLN A 5 124.251 -15.284 4.580 1.00 0.64 H new ATOM 0 HB2 GLN A 5 123.387 -16.163 1.785 1.00 0.71 H new ATOM 0 HB3 GLN A 5 124.717 -16.913 2.646 1.00 0.71 H new ATOM 0 HG2 GLN A 5 123.229 -17.533 4.518 1.00 1.34 H new ATOM 0 HG3 GLN A 5 121.897 -16.644 3.804 1.00 1.34 H new ATOM 0 HE21 GLN A 5 121.809 -19.498 4.378 1.00 2.18 H new ATOM 0 HE22 GLN A 5 121.665 -20.339 2.831 1.00 2.18 H new ATOM 76 N LYS A 6 125.000 -13.349 2.102 1.00 0.59 N ATOM 77 CA LYS A 6 126.148 -12.622 1.498 1.00 0.57 C ATOM 78 C LYS A 6 126.999 -11.999 2.603 1.00 0.51 C ATOM 79 O LYS A 6 128.210 -11.958 2.511 1.00 0.50 O ATOM 80 CB LYS A 6 125.649 -11.526 0.554 1.00 0.58 C ATOM 81 CG LYS A 6 125.032 -12.163 -0.692 1.00 0.65 C ATOM 82 CD LYS A 6 124.555 -11.061 -1.641 1.00 0.81 C ATOM 83 CE LYS A 6 123.951 -11.692 -2.896 1.00 1.26 C ATOM 84 NZ LYS A 6 123.451 -10.618 -3.798 1.00 2.02 N ATOM 0 H LYS A 6 124.076 -13.018 1.824 1.00 0.59 H new ATOM 0 HA LYS A 6 126.750 -13.329 0.927 1.00 0.57 H new ATOM 0 HB2 LYS A 6 124.911 -10.904 1.060 1.00 0.58 H new ATOM 0 HB3 LYS A 6 126.474 -10.873 0.270 1.00 0.58 H new ATOM 0 HG2 LYS A 6 125.765 -12.796 -1.191 1.00 0.65 H new ATOM 0 HG3 LYS A 6 124.196 -12.804 -0.411 1.00 0.65 H new ATOM 0 HD2 LYS A 6 123.814 -10.434 -1.144 1.00 0.81 H new ATOM 0 HD3 LYS A 6 125.389 -10.414 -1.912 1.00 0.81 H new ATOM 0 HE2 LYS A 6 124.700 -12.294 -3.410 1.00 1.26 H new ATOM 0 HE3 LYS A 6 123.136 -12.362 -2.623 1.00 1.26 H new ATOM 0 HZ1 LYS A 6 123.040 -11.046 -4.652 1.00 2.02 H new ATOM 0 HZ2 LYS A 6 122.724 -10.061 -3.305 1.00 2.02 H new ATOM 0 HZ3 LYS A 6 124.240 -9.996 -4.068 1.00 2.02 H new ATOM 98 N HIS A 7 126.391 -11.500 3.641 1.00 0.49 N ATOM 99 CA HIS A 7 127.195 -10.872 4.726 1.00 0.45 C ATOM 100 C HIS A 7 128.166 -11.888 5.329 1.00 0.45 C ATOM 101 O HIS A 7 129.351 -11.636 5.433 1.00 0.43 O ATOM 102 CB HIS A 7 126.258 -10.344 5.815 1.00 0.45 C ATOM 103 CG HIS A 7 127.061 -9.871 7.000 1.00 0.42 C ATOM 104 ND1 HIS A 7 127.291 -8.526 7.254 1.00 0.38 N ATOM 105 CD2 HIS A 7 127.692 -10.557 8.009 1.00 0.45 C ATOM 106 CE1 HIS A 7 128.031 -8.446 8.376 1.00 0.38 C ATOM 107 NE2 HIS A 7 128.301 -9.654 8.873 1.00 0.42 N ATOM 0 H HIS A 7 125.381 -11.499 3.786 1.00 0.49 H new ATOM 0 HA HIS A 7 127.771 -10.047 4.306 1.00 0.45 H new ATOM 0 HB2 HIS A 7 125.656 -9.524 5.423 1.00 0.45 H new ATOM 0 HB3 HIS A 7 125.567 -11.128 6.123 1.00 0.45 H new ATOM 0 HD2 HIS A 7 127.712 -11.632 8.115 1.00 0.45 H new ATOM 0 HE1 HIS A 7 128.364 -7.519 8.819 1.00 0.38 H new ATOM 0 HE2 HIS A 7 128.841 -9.870 9.711 1.00 0.42 H new ATOM 115 N ARG A 8 127.682 -13.040 5.730 1.00 0.48 N ATOM 116 CA ARG A 8 128.569 -14.075 6.329 1.00 0.50 C ATOM 117 C ARG A 8 129.490 -14.652 5.257 1.00 0.51 C ATOM 118 O ARG A 8 130.639 -14.957 5.506 1.00 0.51 O ATOM 119 CB ARG A 8 127.705 -15.203 6.902 1.00 0.55 C ATOM 120 CG ARG A 8 126.951 -14.713 8.140 1.00 0.57 C ATOM 121 CD ARG A 8 126.047 -15.836 8.653 1.00 1.00 C ATOM 122 NE ARG A 8 125.133 -15.309 9.720 1.00 1.69 N ATOM 123 CZ ARG A 8 125.596 -14.764 10.813 1.00 2.27 C ATOM 124 NH1 ARG A 8 126.871 -14.820 11.089 1.00 2.42 N ATOM 125 NH2 ARG A 8 124.773 -14.206 11.657 1.00 3.21 N ATOM 0 H ARG A 8 126.699 -13.305 5.665 1.00 0.48 H new ATOM 0 HA ARG A 8 129.170 -13.622 7.118 1.00 0.50 H new ATOM 0 HB2 ARG A 8 126.997 -15.547 6.148 1.00 0.55 H new ATOM 0 HB3 ARG A 8 128.333 -16.055 7.163 1.00 0.55 H new ATOM 0 HG2 ARG A 8 127.656 -14.414 8.916 1.00 0.57 H new ATOM 0 HG3 ARG A 8 126.356 -13.834 7.894 1.00 0.57 H new ATOM 0 HD2 ARG A 8 125.461 -16.247 7.831 1.00 1.00 H new ATOM 0 HD3 ARG A 8 126.653 -16.650 9.051 1.00 1.00 H new ATOM 0 HE ARG A 8 124.124 -15.378 9.588 1.00 1.69 H new ATOM 0 HH11 ARG A 8 127.511 -15.291 10.450 1.00 2.42 H new ATOM 0 HH12 ARG A 8 127.227 -14.393 11.944 1.00 2.42 H new ATOM 0 HH21 ARG A 8 123.772 -14.196 11.462 1.00 3.21 H new ATOM 0 HH22 ARG A 8 125.131 -13.779 12.512 1.00 3.21 H new ATOM 139 N ASP A 9 128.992 -14.801 4.065 1.00 0.52 N ATOM 140 CA ASP A 9 129.831 -15.354 2.970 1.00 0.54 C ATOM 141 C ASP A 9 130.893 -14.333 2.570 1.00 0.49 C ATOM 142 O ASP A 9 132.024 -14.675 2.288 1.00 0.49 O ATOM 143 CB ASP A 9 128.960 -15.688 1.760 1.00 0.61 C ATOM 144 CG ASP A 9 128.077 -16.894 2.085 1.00 0.68 C ATOM 145 OD1 ASP A 9 128.363 -17.566 3.062 1.00 0.67 O ATOM 146 OD2 ASP A 9 127.131 -17.126 1.349 1.00 0.76 O ATOM 0 H ASP A 9 128.036 -14.563 3.800 1.00 0.52 H new ATOM 0 HA ASP A 9 130.317 -16.264 3.321 1.00 0.54 H new ATOM 0 HB2 ASP A 9 128.341 -14.831 1.497 1.00 0.61 H new ATOM 0 HB3 ASP A 9 129.587 -15.906 0.896 1.00 0.61 H new ATOM 151 N PHE A 10 130.533 -13.078 2.521 1.00 0.46 N ATOM 152 CA PHE A 10 131.522 -12.045 2.113 1.00 0.43 C ATOM 153 C PHE A 10 132.657 -11.975 3.138 1.00 0.38 C ATOM 154 O PHE A 10 133.814 -11.856 2.785 1.00 0.36 O ATOM 155 CB PHE A 10 130.831 -10.683 2.017 1.00 0.45 C ATOM 156 CG PHE A 10 131.801 -9.673 1.458 1.00 0.43 C ATOM 157 CD1 PHE A 10 131.936 -9.533 0.072 1.00 0.44 C ATOM 158 CD2 PHE A 10 132.563 -8.875 2.320 1.00 0.43 C ATOM 159 CE1 PHE A 10 132.834 -8.599 -0.453 1.00 0.44 C ATOM 160 CE2 PHE A 10 133.461 -7.940 1.794 1.00 0.43 C ATOM 161 CZ PHE A 10 133.596 -7.802 0.408 1.00 0.43 C ATOM 0 H PHE A 10 129.602 -12.727 2.745 1.00 0.46 H new ATOM 0 HA PHE A 10 131.936 -12.311 1.140 1.00 0.43 H new ATOM 0 HB2 PHE A 10 129.951 -10.753 1.377 1.00 0.45 H new ATOM 0 HB3 PHE A 10 130.485 -10.367 3.001 1.00 0.45 H new ATOM 0 HD1 PHE A 10 131.346 -10.147 -0.592 1.00 0.44 H new ATOM 0 HD2 PHE A 10 132.458 -8.981 3.390 1.00 0.43 H new ATOM 0 HE1 PHE A 10 132.939 -8.493 -1.523 1.00 0.44 H new ATOM 0 HE2 PHE A 10 134.050 -7.325 2.458 1.00 0.43 H new ATOM 0 HZ PHE A 10 134.289 -7.080 0.003 1.00 0.43 H new ATOM 171 N VAL A 11 132.344 -12.047 4.404 1.00 0.37 N ATOM 172 CA VAL A 11 133.415 -11.986 5.443 1.00 0.35 C ATOM 173 C VAL A 11 134.016 -13.380 5.653 1.00 0.37 C ATOM 174 O VAL A 11 134.685 -13.629 6.635 1.00 0.38 O ATOM 175 CB VAL A 11 132.821 -11.482 6.762 1.00 0.37 C ATOM 176 CG1 VAL A 11 132.060 -10.176 6.515 1.00 0.44 C ATOM 177 CG2 VAL A 11 131.860 -12.533 7.326 1.00 0.40 C ATOM 0 H VAL A 11 131.395 -12.145 4.764 1.00 0.37 H new ATOM 0 HA VAL A 11 134.198 -11.304 5.111 1.00 0.35 H new ATOM 0 HB VAL A 11 133.625 -11.305 7.476 1.00 0.37 H new ATOM 0 HG11 VAL A 11 131.638 -9.818 7.454 1.00 0.44 H new ATOM 0 HG12 VAL A 11 132.743 -9.427 6.115 1.00 0.44 H new ATOM 0 HG13 VAL A 11 131.257 -10.353 5.800 1.00 0.44 H new ATOM 0 HG21 VAL A 11 131.438 -12.174 8.264 1.00 0.40 H new ATOM 0 HG22 VAL A 11 131.056 -12.712 6.612 1.00 0.40 H new ATOM 0 HG23 VAL A 11 132.401 -13.462 7.504 1.00 0.40 H new ATOM 187 N ALA A 12 133.771 -14.294 4.740 1.00 0.41 N ATOM 188 CA ALA A 12 134.315 -15.688 4.880 1.00 0.48 C ATOM 189 C ALA A 12 135.285 -15.997 3.736 1.00 0.46 C ATOM 190 O ALA A 12 135.973 -16.999 3.753 1.00 0.49 O ATOM 191 CB ALA A 12 133.156 -16.687 4.842 1.00 0.54 C ATOM 0 H ALA A 12 133.215 -14.134 3.900 1.00 0.41 H new ATOM 0 HA ALA A 12 134.847 -15.768 5.828 1.00 0.48 H new ATOM 0 HB1 ALA A 12 133.545 -17.700 4.943 1.00 0.54 H new ATOM 0 HB2 ALA A 12 132.469 -16.479 5.662 1.00 0.54 H new ATOM 0 HB3 ALA A 12 132.627 -16.595 3.893 1.00 0.54 H new ATOM 197 N GLU A 13 135.354 -15.152 2.743 1.00 0.43 N ATOM 198 CA GLU A 13 136.292 -15.411 1.606 1.00 0.43 C ATOM 199 C GLU A 13 136.757 -14.071 1.018 1.00 0.40 C ATOM 200 O GLU A 13 136.017 -13.108 1.030 1.00 0.37 O ATOM 201 CB GLU A 13 135.566 -16.213 0.522 1.00 0.46 C ATOM 202 CG GLU A 13 134.415 -15.379 -0.048 1.00 0.48 C ATOM 203 CD GLU A 13 133.477 -16.282 -0.852 1.00 0.61 C ATOM 204 OE1 GLU A 13 132.706 -16.999 -0.237 1.00 1.26 O ATOM 205 OE2 GLU A 13 133.546 -16.240 -2.070 1.00 1.05 O ATOM 0 H GLU A 13 134.805 -14.296 2.667 1.00 0.43 H new ATOM 0 HA GLU A 13 137.154 -15.975 1.963 1.00 0.43 H new ATOM 0 HB2 GLU A 13 136.262 -16.483 -0.273 1.00 0.46 H new ATOM 0 HB3 GLU A 13 135.182 -17.144 0.939 1.00 0.46 H new ATOM 0 HG2 GLU A 13 133.867 -14.896 0.761 1.00 0.48 H new ATOM 0 HG3 GLU A 13 134.807 -14.586 -0.685 1.00 0.48 H new ATOM 212 N PRO A 14 137.958 -13.997 0.486 1.00 0.42 N ATOM 213 CA PRO A 14 138.470 -12.740 -0.122 1.00 0.40 C ATOM 214 C PRO A 14 137.392 -12.026 -0.944 1.00 0.36 C ATOM 215 O PRO A 14 136.368 -12.595 -1.266 1.00 0.36 O ATOM 216 CB PRO A 14 139.609 -13.223 -1.027 1.00 0.45 C ATOM 217 CG PRO A 14 140.139 -14.452 -0.355 1.00 0.49 C ATOM 218 CD PRO A 14 138.958 -15.084 0.402 1.00 0.48 C ATOM 0 HA PRO A 14 138.788 -12.015 0.628 1.00 0.40 H new ATOM 0 HB2 PRO A 14 139.248 -13.446 -2.031 1.00 0.45 H new ATOM 0 HB3 PRO A 14 140.383 -12.463 -1.128 1.00 0.45 H new ATOM 0 HG2 PRO A 14 140.547 -15.149 -1.087 1.00 0.49 H new ATOM 0 HG3 PRO A 14 140.948 -14.200 0.330 1.00 0.49 H new ATOM 0 HD2 PRO A 14 138.562 -15.950 -0.129 1.00 0.48 H new ATOM 0 HD3 PRO A 14 139.257 -15.427 1.392 1.00 0.48 H new ATOM 226 N MET A 15 137.621 -10.792 -1.299 1.00 0.35 N ATOM 227 CA MET A 15 136.617 -10.049 -2.116 1.00 0.35 C ATOM 228 C MET A 15 136.974 -10.211 -3.594 1.00 0.36 C ATOM 229 O MET A 15 136.136 -10.101 -4.466 1.00 0.39 O ATOM 230 CB MET A 15 136.664 -8.560 -1.755 1.00 0.37 C ATOM 231 CG MET A 15 138.124 -8.109 -1.653 1.00 0.41 C ATOM 232 SD MET A 15 138.233 -6.311 -1.872 1.00 0.57 S ATOM 233 CE MET A 15 136.921 -5.833 -0.723 1.00 0.43 C ATOM 0 H MET A 15 138.460 -10.264 -1.059 1.00 0.35 H new ATOM 0 HA MET A 15 135.619 -10.441 -1.920 1.00 0.35 H new ATOM 0 HB2 MET A 15 136.143 -7.974 -2.512 1.00 0.37 H new ATOM 0 HB3 MET A 15 136.151 -8.387 -0.809 1.00 0.37 H new ATOM 0 HG2 MET A 15 138.534 -8.391 -0.683 1.00 0.41 H new ATOM 0 HG3 MET A 15 138.723 -8.613 -2.411 1.00 0.41 H new ATOM 0 HE1 MET A 15 136.965 -4.758 -0.547 1.00 0.43 H new ATOM 0 HE2 MET A 15 135.952 -6.091 -1.150 1.00 0.43 H new ATOM 0 HE3 MET A 15 137.054 -6.361 0.221 1.00 0.43 H new ATOM 243 N GLY A 16 138.225 -10.463 -3.877 1.00 0.37 N ATOM 244 CA GLY A 16 138.655 -10.625 -5.294 1.00 0.40 C ATOM 245 C GLY A 16 138.130 -9.445 -6.112 1.00 0.40 C ATOM 246 O GLY A 16 138.136 -8.317 -5.661 1.00 0.38 O ATOM 0 H GLY A 16 138.968 -10.564 -3.185 1.00 0.37 H new ATOM 0 HA2 GLY A 16 139.742 -10.671 -5.354 1.00 0.40 H new ATOM 0 HA3 GLY A 16 138.274 -11.563 -5.698 1.00 0.40 H new ATOM 250 N GLU A 17 137.686 -9.697 -7.318 1.00 0.41 N ATOM 251 CA GLU A 17 137.166 -8.598 -8.194 1.00 0.42 C ATOM 252 C GLU A 17 135.651 -8.740 -8.345 1.00 0.40 C ATOM 253 O GLU A 17 135.081 -8.376 -9.355 1.00 0.40 O ATOM 254 CB GLU A 17 137.831 -8.694 -9.570 1.00 0.47 C ATOM 255 CG GLU A 17 139.307 -8.308 -9.449 1.00 0.52 C ATOM 256 CD GLU A 17 139.980 -8.421 -10.818 1.00 0.57 C ATOM 257 OE1 GLU A 17 140.344 -9.525 -11.188 1.00 0.76 O ATOM 258 OE2 GLU A 17 140.122 -7.402 -11.474 1.00 0.85 O ATOM 0 H GLU A 17 137.661 -10.626 -7.739 1.00 0.41 H new ATOM 0 HA GLU A 17 137.394 -7.631 -7.745 1.00 0.42 H new ATOM 0 HB2 GLU A 17 137.740 -9.708 -9.960 1.00 0.47 H new ATOM 0 HB3 GLU A 17 137.328 -8.034 -10.276 1.00 0.47 H new ATOM 0 HG2 GLU A 17 139.397 -7.290 -9.071 1.00 0.52 H new ATOM 0 HG3 GLU A 17 139.806 -8.960 -8.732 1.00 0.52 H new ATOM 265 N LYS A 18 134.994 -9.274 -7.351 1.00 0.38 N ATOM 266 CA LYS A 18 133.518 -9.450 -7.440 1.00 0.36 C ATOM 267 C LYS A 18 132.860 -8.072 -7.627 1.00 0.32 C ATOM 268 O LYS A 18 133.380 -7.072 -7.171 1.00 0.31 O ATOM 269 CB LYS A 18 133.015 -10.091 -6.143 1.00 0.36 C ATOM 270 CG LYS A 18 133.511 -11.537 -6.067 1.00 0.45 C ATOM 271 CD LYS A 18 132.956 -12.206 -4.809 1.00 1.17 C ATOM 272 CE LYS A 18 133.657 -13.549 -4.595 1.00 1.44 C ATOM 273 NZ LYS A 18 132.998 -14.280 -3.477 1.00 2.01 N ATOM 0 H LYS A 18 135.417 -9.596 -6.481 1.00 0.38 H new ATOM 0 HA LYS A 18 133.265 -10.091 -8.285 1.00 0.36 H new ATOM 0 HB2 LYS A 18 133.373 -9.526 -5.282 1.00 0.36 H new ATOM 0 HB3 LYS A 18 131.926 -10.066 -6.110 1.00 0.36 H new ATOM 0 HG2 LYS A 18 133.195 -12.087 -6.953 1.00 0.45 H new ATOM 0 HG3 LYS A 18 134.601 -11.558 -6.051 1.00 0.45 H new ATOM 0 HD2 LYS A 18 133.109 -11.561 -3.943 1.00 1.17 H new ATOM 0 HD3 LYS A 18 131.881 -12.356 -4.908 1.00 1.17 H new ATOM 0 HE2 LYS A 18 133.614 -14.143 -5.508 1.00 1.44 H new ATOM 0 HE3 LYS A 18 134.711 -13.389 -4.368 1.00 1.44 H new ATOM 0 HZ1 LYS A 18 133.619 -15.048 -3.151 1.00 2.01 H new ATOM 0 HZ2 LYS A 18 132.818 -13.623 -2.691 1.00 2.01 H new ATOM 0 HZ3 LYS A 18 132.097 -14.680 -3.807 1.00 2.01 H new ATOM 287 N PRO A 19 131.737 -8.007 -8.310 1.00 0.31 N ATOM 288 CA PRO A 19 131.035 -6.712 -8.567 1.00 0.29 C ATOM 289 C PRO A 19 130.623 -6.002 -7.271 1.00 0.25 C ATOM 290 O PRO A 19 130.431 -6.617 -6.241 1.00 0.24 O ATOM 291 CB PRO A 19 129.804 -7.108 -9.411 1.00 0.32 C ATOM 292 CG PRO A 19 129.619 -8.576 -9.180 1.00 0.33 C ATOM 293 CD PRO A 19 131.011 -9.144 -8.908 1.00 0.34 C ATOM 0 HA PRO A 19 131.681 -5.997 -9.076 1.00 0.29 H new ATOM 0 HB2 PRO A 19 128.921 -6.548 -9.104 1.00 0.32 H new ATOM 0 HB3 PRO A 19 129.967 -6.894 -10.467 1.00 0.32 H new ATOM 0 HG2 PRO A 19 128.953 -8.756 -8.336 1.00 0.33 H new ATOM 0 HG3 PRO A 19 129.167 -9.053 -10.050 1.00 0.33 H new ATOM 0 HD2 PRO A 19 130.971 -9.996 -8.229 1.00 0.34 H new ATOM 0 HD3 PRO A 19 131.490 -9.489 -9.825 1.00 0.34 H new ATOM 301 N VAL A 20 130.498 -4.704 -7.326 1.00 0.25 N ATOM 302 CA VAL A 20 130.113 -3.930 -6.114 1.00 0.23 C ATOM 303 C VAL A 20 128.777 -4.428 -5.562 1.00 0.21 C ATOM 304 O VAL A 20 128.604 -4.591 -4.371 1.00 0.23 O ATOM 305 CB VAL A 20 130.006 -2.449 -6.481 1.00 0.27 C ATOM 306 CG1 VAL A 20 128.875 -2.244 -7.487 1.00 0.32 C ATOM 307 CG2 VAL A 20 129.721 -1.632 -5.221 1.00 0.29 C ATOM 0 H VAL A 20 130.647 -4.144 -8.165 1.00 0.25 H new ATOM 0 HA VAL A 20 130.873 -4.066 -5.345 1.00 0.23 H new ATOM 0 HB VAL A 20 130.945 -2.121 -6.926 1.00 0.27 H new ATOM 0 HG11 VAL A 20 128.804 -1.187 -7.744 1.00 0.32 H new ATOM 0 HG12 VAL A 20 129.079 -2.824 -8.387 1.00 0.32 H new ATOM 0 HG13 VAL A 20 127.934 -2.575 -7.048 1.00 0.32 H new ATOM 0 HG21 VAL A 20 129.645 -0.576 -5.481 1.00 0.29 H new ATOM 0 HG22 VAL A 20 128.783 -1.965 -4.776 1.00 0.29 H new ATOM 0 HG23 VAL A 20 130.532 -1.771 -4.506 1.00 0.29 H new ATOM 317 N GLY A 21 127.822 -4.655 -6.426 1.00 0.23 N ATOM 318 CA GLY A 21 126.485 -5.126 -5.965 1.00 0.21 C ATOM 319 C GLY A 21 126.635 -6.390 -5.117 1.00 0.20 C ATOM 320 O GLY A 21 125.669 -6.906 -4.592 1.00 0.19 O ATOM 0 H GLY A 21 127.912 -4.534 -7.435 1.00 0.23 H new ATOM 0 HA2 GLY A 21 125.997 -4.344 -5.383 1.00 0.21 H new ATOM 0 HA3 GLY A 21 125.846 -5.329 -6.825 1.00 0.21 H new ATOM 324 N SER A 22 127.831 -6.897 -4.963 1.00 0.20 N ATOM 325 CA SER A 22 128.020 -8.120 -4.135 1.00 0.20 C ATOM 326 C SER A 22 128.097 -7.719 -2.660 1.00 0.19 C ATOM 327 O SER A 22 127.837 -8.511 -1.776 1.00 0.20 O ATOM 328 CB SER A 22 129.325 -8.808 -4.537 1.00 0.23 C ATOM 329 OG SER A 22 129.541 -9.936 -3.700 1.00 1.24 O ATOM 0 H SER A 22 128.683 -6.516 -5.375 1.00 0.20 H new ATOM 0 HA SER A 22 127.184 -8.802 -4.291 1.00 0.20 H new ATOM 0 HB2 SER A 22 129.278 -9.119 -5.581 1.00 0.23 H new ATOM 0 HB3 SER A 22 130.158 -8.111 -4.449 1.00 0.23 H new ATOM 0 HG SER A 22 130.376 -10.379 -3.957 1.00 1.24 H new ATOM 335 N LEU A 23 128.460 -6.494 -2.388 1.00 0.17 N ATOM 336 CA LEU A 23 128.563 -6.045 -0.972 1.00 0.18 C ATOM 337 C LEU A 23 127.188 -6.101 -0.308 1.00 0.18 C ATOM 338 O LEU A 23 126.188 -5.703 -0.872 1.00 0.17 O ATOM 339 CB LEU A 23 129.091 -4.609 -0.923 1.00 0.18 C ATOM 340 CG LEU A 23 130.491 -4.540 -1.545 1.00 0.21 C ATOM 341 CD1 LEU A 23 130.972 -3.087 -1.530 1.00 0.23 C ATOM 342 CD2 LEU A 23 131.473 -5.419 -0.743 1.00 0.24 C ATOM 0 H LEU A 23 128.689 -5.786 -3.086 1.00 0.17 H new ATOM 0 HA LEU A 23 129.249 -6.704 -0.440 1.00 0.18 H new ATOM 0 HB2 LEU A 23 128.413 -3.946 -1.460 1.00 0.18 H new ATOM 0 HB3 LEU A 23 129.126 -4.261 0.109 1.00 0.18 H new ATOM 0 HG LEU A 23 130.450 -4.907 -2.571 1.00 0.21 H new ATOM 0 HD11 LEU A 23 131.967 -3.029 -1.971 1.00 0.23 H new ATOM 0 HD12 LEU A 23 130.283 -2.470 -2.107 1.00 0.23 H new ATOM 0 HD13 LEU A 23 131.009 -2.726 -0.502 1.00 0.23 H new ATOM 0 HD21 LEU A 23 132.464 -5.362 -1.194 1.00 0.24 H new ATOM 0 HD22 LEU A 23 131.522 -5.064 0.286 1.00 0.24 H new ATOM 0 HD23 LEU A 23 131.128 -6.453 -0.754 1.00 0.24 H new ATOM 354 N ALA A 24 127.145 -6.597 0.892 1.00 0.18 N ATOM 355 CA ALA A 24 125.848 -6.689 1.613 1.00 0.19 C ATOM 356 C ALA A 24 125.315 -5.284 1.912 1.00 0.20 C ATOM 357 O ALA A 24 126.031 -4.410 2.359 1.00 0.20 O ATOM 358 CB ALA A 24 126.049 -7.448 2.924 1.00 0.21 C ATOM 0 H ALA A 24 127.954 -6.944 1.408 1.00 0.18 H new ATOM 0 HA ALA A 24 125.128 -7.218 0.989 1.00 0.19 H new ATOM 0 HB1 ALA A 24 125.099 -7.516 3.454 1.00 0.21 H new ATOM 0 HB2 ALA A 24 126.419 -8.451 2.711 1.00 0.21 H new ATOM 0 HB3 ALA A 24 126.773 -6.919 3.544 1.00 0.21 H new ATOM 364 N GLY A 25 124.052 -5.073 1.658 1.00 0.20 N ATOM 365 CA GLY A 25 123.435 -3.732 1.912 1.00 0.21 C ATOM 366 C GLY A 25 123.341 -2.962 0.595 1.00 0.21 C ATOM 367 O GLY A 25 122.561 -2.042 0.459 1.00 0.22 O ATOM 0 H GLY A 25 123.414 -5.775 1.283 1.00 0.20 H new ATOM 0 HA2 GLY A 25 122.443 -3.852 2.348 1.00 0.21 H new ATOM 0 HA3 GLY A 25 124.034 -3.174 2.631 1.00 0.21 H new ATOM 371 N ILE A 26 124.124 -3.339 -0.383 1.00 0.20 N ATOM 372 CA ILE A 26 124.076 -2.640 -1.704 1.00 0.21 C ATOM 373 C ILE A 26 123.236 -3.484 -2.653 1.00 0.23 C ATOM 374 O ILE A 26 123.615 -4.582 -3.010 1.00 0.25 O ATOM 375 CB ILE A 26 125.494 -2.505 -2.265 1.00 0.22 C ATOM 376 CG1 ILE A 26 126.392 -1.777 -1.252 1.00 0.22 C ATOM 377 CG2 ILE A 26 125.457 -1.720 -3.580 1.00 0.25 C ATOM 378 CD1 ILE A 26 125.775 -0.429 -0.849 1.00 0.24 C ATOM 0 H ILE A 26 124.797 -4.103 -0.324 1.00 0.20 H new ATOM 0 HA ILE A 26 123.643 -1.646 -1.591 1.00 0.21 H new ATOM 0 HB ILE A 26 125.900 -3.500 -2.450 1.00 0.22 H new ATOM 0 HG12 ILE A 26 126.529 -2.399 -0.367 1.00 0.22 H new ATOM 0 HG13 ILE A 26 127.380 -1.616 -1.684 1.00 0.22 H new ATOM 0 HG21 ILE A 26 126.468 -1.626 -3.976 1.00 0.25 H new ATOM 0 HG22 ILE A 26 124.832 -2.247 -4.301 1.00 0.25 H new ATOM 0 HG23 ILE A 26 125.044 -0.727 -3.400 1.00 0.25 H new ATOM 0 HD11 ILE A 26 126.427 0.069 -0.132 1.00 0.24 H new ATOM 0 HD12 ILE A 26 125.662 0.198 -1.733 1.00 0.24 H new ATOM 0 HD13 ILE A 26 124.798 -0.597 -0.396 1.00 0.24 H new ATOM 390 N GLY A 27 122.102 -2.997 -3.078 1.00 0.24 N ATOM 391 CA GLY A 27 121.258 -3.792 -4.012 1.00 0.28 C ATOM 392 C GLY A 27 121.603 -3.413 -5.449 1.00 0.28 C ATOM 393 O GLY A 27 122.436 -2.563 -5.697 1.00 0.27 O ATOM 0 H GLY A 27 121.725 -2.085 -2.819 1.00 0.24 H new ATOM 0 HA2 GLY A 27 121.425 -4.857 -3.854 1.00 0.28 H new ATOM 0 HA3 GLY A 27 120.202 -3.603 -3.817 1.00 0.28 H new ATOM 397 N GLU A 28 120.976 -4.041 -6.397 1.00 0.30 N ATOM 398 CA GLU A 28 121.281 -3.718 -7.816 1.00 0.32 C ATOM 399 C GLU A 28 121.043 -2.225 -8.055 1.00 0.32 C ATOM 400 O GLU A 28 121.792 -1.574 -8.758 1.00 0.34 O ATOM 401 CB GLU A 28 120.376 -4.539 -8.740 1.00 0.36 C ATOM 402 CG GLU A 28 120.749 -6.023 -8.647 1.00 0.39 C ATOM 403 CD GLU A 28 122.157 -6.244 -9.204 1.00 1.28 C ATOM 404 OE1 GLU A 28 122.396 -5.848 -10.334 1.00 2.01 O ATOM 405 OE2 GLU A 28 122.972 -6.808 -8.493 1.00 1.65 O ATOM 0 H GLU A 28 120.268 -4.761 -6.254 1.00 0.30 H new ATOM 0 HA GLU A 28 122.322 -3.961 -8.029 1.00 0.32 H new ATOM 0 HB2 GLU A 28 119.332 -4.399 -8.460 1.00 0.36 H new ATOM 0 HB3 GLU A 28 120.480 -4.192 -9.768 1.00 0.36 H new ATOM 0 HG2 GLU A 28 120.703 -6.354 -7.609 1.00 0.39 H new ATOM 0 HG3 GLU A 28 120.030 -6.623 -9.205 1.00 0.39 H new ATOM 412 N VAL A 29 120.007 -1.677 -7.483 1.00 0.31 N ATOM 413 CA VAL A 29 119.726 -0.228 -7.688 1.00 0.33 C ATOM 414 C VAL A 29 120.832 0.608 -7.043 1.00 0.33 C ATOM 415 O VAL A 29 121.367 1.518 -7.647 1.00 0.35 O ATOM 416 CB VAL A 29 118.382 0.125 -7.047 1.00 0.34 C ATOM 417 CG1 VAL A 29 118.148 1.635 -7.139 1.00 0.38 C ATOM 418 CG2 VAL A 29 117.256 -0.617 -7.772 1.00 0.35 C ATOM 0 H VAL A 29 119.344 -2.168 -6.884 1.00 0.31 H new ATOM 0 HA VAL A 29 119.689 -0.015 -8.756 1.00 0.33 H new ATOM 0 HB VAL A 29 118.393 -0.173 -5.999 1.00 0.34 H new ATOM 0 HG11 VAL A 29 117.190 1.883 -6.682 1.00 0.38 H new ATOM 0 HG12 VAL A 29 118.947 2.160 -6.615 1.00 0.38 H new ATOM 0 HG13 VAL A 29 118.140 1.939 -8.186 1.00 0.38 H new ATOM 0 HG21 VAL A 29 116.300 -0.364 -7.314 1.00 0.35 H new ATOM 0 HG22 VAL A 29 117.244 -0.324 -8.822 1.00 0.35 H new ATOM 0 HG23 VAL A 29 117.421 -1.692 -7.697 1.00 0.35 H new ATOM 428 N LEU A 30 121.178 0.316 -5.820 1.00 0.32 N ATOM 429 CA LEU A 30 122.245 1.100 -5.136 1.00 0.32 C ATOM 430 C LEU A 30 123.585 0.821 -5.809 1.00 0.32 C ATOM 431 O LEU A 30 124.396 1.706 -6.000 1.00 0.33 O ATOM 432 CB LEU A 30 122.329 0.680 -3.666 1.00 0.32 C ATOM 433 CG LEU A 30 120.994 0.948 -2.961 1.00 0.35 C ATOM 434 CD1 LEU A 30 121.036 0.331 -1.561 1.00 0.36 C ATOM 435 CD2 LEU A 30 120.742 2.462 -2.848 1.00 0.40 C ATOM 0 H LEU A 30 120.767 -0.433 -5.263 1.00 0.32 H new ATOM 0 HA LEU A 30 122.010 2.162 -5.201 1.00 0.32 H new ATOM 0 HB2 LEU A 30 122.579 -0.379 -3.597 1.00 0.32 H new ATOM 0 HB3 LEU A 30 123.128 1.230 -3.168 1.00 0.32 H new ATOM 0 HG LEU A 30 120.187 0.502 -3.542 1.00 0.35 H new ATOM 0 HD11 LEU A 30 120.090 0.517 -1.053 1.00 0.36 H new ATOM 0 HD12 LEU A 30 121.199 -0.744 -1.642 1.00 0.36 H new ATOM 0 HD13 LEU A 30 121.849 0.779 -0.990 1.00 0.36 H new ATOM 0 HD21 LEU A 30 119.791 2.636 -2.345 1.00 0.40 H new ATOM 0 HD22 LEU A 30 121.546 2.923 -2.273 1.00 0.40 H new ATOM 0 HD23 LEU A 30 120.711 2.901 -3.845 1.00 0.40 H new ATOM 447 N GLY A 31 123.822 -0.408 -6.172 1.00 0.33 N ATOM 448 CA GLY A 31 125.107 -0.748 -6.833 1.00 0.34 C ATOM 449 C GLY A 31 125.210 -0.005 -8.164 1.00 0.35 C ATOM 450 O GLY A 31 126.260 0.473 -8.535 1.00 0.35 O ATOM 0 H GLY A 31 123.181 -1.190 -6.039 1.00 0.33 H new ATOM 0 HA2 GLY A 31 125.943 -0.477 -6.188 1.00 0.34 H new ATOM 0 HA3 GLY A 31 125.169 -1.823 -6.999 1.00 0.34 H new ATOM 454 N LYS A 32 124.130 0.088 -8.893 1.00 0.35 N ATOM 455 CA LYS A 32 124.178 0.782 -10.210 1.00 0.37 C ATOM 456 C LYS A 32 124.591 2.247 -10.026 1.00 0.36 C ATOM 457 O LYS A 32 125.352 2.781 -10.807 1.00 0.38 O ATOM 458 CB LYS A 32 122.795 0.722 -10.861 1.00 0.39 C ATOM 459 CG LYS A 32 122.894 1.207 -12.311 1.00 1.18 C ATOM 460 CD LYS A 32 121.495 1.273 -12.944 1.00 1.37 C ATOM 461 CE LYS A 32 120.974 -0.136 -13.260 1.00 2.06 C ATOM 462 NZ LYS A 32 122.000 -0.897 -14.029 1.00 2.74 N ATOM 0 H LYS A 32 123.218 -0.287 -8.633 1.00 0.35 H new ATOM 0 HA LYS A 32 124.911 0.287 -10.846 1.00 0.37 H new ATOM 0 HB2 LYS A 32 122.411 -0.298 -10.832 1.00 0.39 H new ATOM 0 HB3 LYS A 32 122.092 1.343 -10.305 1.00 0.39 H new ATOM 0 HG2 LYS A 32 123.362 2.191 -12.342 1.00 1.18 H new ATOM 0 HG3 LYS A 32 123.530 0.533 -12.885 1.00 1.18 H new ATOM 0 HD2 LYS A 32 120.807 1.777 -12.265 1.00 1.37 H new ATOM 0 HD3 LYS A 32 121.532 1.866 -13.858 1.00 1.37 H new ATOM 0 HE2 LYS A 32 120.737 -0.661 -12.335 1.00 2.06 H new ATOM 0 HE3 LYS A 32 120.050 -0.071 -13.835 1.00 2.06 H new ATOM 0 HZ1 LYS A 32 121.545 -1.690 -14.525 1.00 2.74 H new ATOM 0 HZ2 LYS A 32 122.451 -0.268 -14.724 1.00 2.74 H new ATOM 0 HZ3 LYS A 32 122.721 -1.265 -13.376 1.00 2.74 H new ATOM 476 N LYS A 33 124.091 2.910 -9.022 1.00 0.35 N ATOM 477 CA LYS A 33 124.463 4.344 -8.841 1.00 0.36 C ATOM 478 C LYS A 33 125.947 4.450 -8.473 1.00 0.34 C ATOM 479 O LYS A 33 126.652 5.315 -8.955 1.00 0.36 O ATOM 480 CB LYS A 33 123.611 4.953 -7.727 1.00 0.36 C ATOM 481 CG LYS A 33 122.158 5.038 -8.197 1.00 0.39 C ATOM 482 CD LYS A 33 121.291 5.646 -7.095 1.00 0.64 C ATOM 483 CE LYS A 33 119.843 5.724 -7.578 1.00 0.65 C ATOM 484 NZ LYS A 33 119.269 4.348 -7.636 1.00 1.54 N ATOM 0 H LYS A 33 123.449 2.530 -8.326 1.00 0.35 H new ATOM 0 HA LYS A 33 124.286 4.885 -9.770 1.00 0.36 H new ATOM 0 HB2 LYS A 33 123.680 4.344 -6.826 1.00 0.36 H new ATOM 0 HB3 LYS A 33 123.982 5.945 -7.470 1.00 0.36 H new ATOM 0 HG2 LYS A 33 122.093 5.645 -9.100 1.00 0.39 H new ATOM 0 HG3 LYS A 33 121.791 4.044 -8.454 1.00 0.39 H new ATOM 0 HD2 LYS A 33 121.353 5.040 -6.191 1.00 0.64 H new ATOM 0 HD3 LYS A 33 121.655 6.641 -6.837 1.00 0.64 H new ATOM 0 HE2 LYS A 33 119.256 6.348 -6.904 1.00 0.65 H new ATOM 0 HE3 LYS A 33 119.800 6.190 -8.562 1.00 0.65 H new ATOM 0 HZ1 LYS A 33 118.958 4.142 -8.607 1.00 1.54 H new ATOM 0 HZ2 LYS A 33 119.993 3.658 -7.351 1.00 1.54 H new ATOM 0 HZ3 LYS A 33 118.456 4.284 -6.991 1.00 1.54 H new ATOM 498 N LEU A 34 126.436 3.571 -7.644 1.00 0.32 N ATOM 499 CA LEU A 34 127.881 3.616 -7.275 1.00 0.31 C ATOM 500 C LEU A 34 128.728 3.404 -8.536 1.00 0.31 C ATOM 501 O LEU A 34 129.754 4.027 -8.728 1.00 0.33 O ATOM 502 CB LEU A 34 128.177 2.515 -6.253 1.00 0.29 C ATOM 503 CG LEU A 34 127.520 2.855 -4.904 1.00 0.30 C ATOM 504 CD1 LEU A 34 127.612 1.637 -3.978 1.00 0.30 C ATOM 505 CD2 LEU A 34 128.232 4.060 -4.245 1.00 0.34 C ATOM 0 H LEU A 34 125.899 2.823 -7.205 1.00 0.32 H new ATOM 0 HA LEU A 34 128.124 4.584 -6.837 1.00 0.31 H new ATOM 0 HB2 LEU A 34 127.802 1.559 -6.618 1.00 0.29 H new ATOM 0 HB3 LEU A 34 129.254 2.407 -6.125 1.00 0.29 H new ATOM 0 HG LEU A 34 126.475 3.116 -5.073 1.00 0.30 H new ATOM 0 HD11 LEU A 34 127.148 1.872 -3.020 1.00 0.30 H new ATOM 0 HD12 LEU A 34 127.095 0.793 -4.434 1.00 0.30 H new ATOM 0 HD13 LEU A 34 128.659 1.378 -3.820 1.00 0.30 H new ATOM 0 HD21 LEU A 34 127.755 4.288 -3.292 1.00 0.34 H new ATOM 0 HD22 LEU A 34 129.281 3.815 -4.077 1.00 0.34 H new ATOM 0 HD23 LEU A 34 128.163 4.927 -4.902 1.00 0.34 H new ATOM 517 N GLU A 35 128.302 2.513 -9.385 1.00 0.32 N ATOM 518 CA GLU A 35 129.084 2.242 -10.630 1.00 0.34 C ATOM 519 C GLU A 35 129.185 3.526 -11.455 1.00 0.37 C ATOM 520 O GLU A 35 130.217 3.844 -12.011 1.00 0.39 O ATOM 521 CB GLU A 35 128.382 1.164 -11.459 1.00 0.35 C ATOM 522 CG GLU A 35 128.480 -0.181 -10.739 1.00 0.93 C ATOM 523 CD GLU A 35 127.578 -1.204 -11.429 1.00 1.02 C ATOM 524 OE1 GLU A 35 126.937 -0.840 -12.402 1.00 1.36 O ATOM 525 OE2 GLU A 35 127.543 -2.336 -10.973 1.00 1.67 O ATOM 0 H GLU A 35 127.451 1.961 -9.275 1.00 0.32 H new ATOM 0 HA GLU A 35 130.082 1.897 -10.359 1.00 0.34 H new ATOM 0 HB2 GLU A 35 127.336 1.431 -11.611 1.00 0.35 H new ATOM 0 HB3 GLU A 35 128.840 1.094 -12.446 1.00 0.35 H new ATOM 0 HG2 GLU A 35 129.512 -0.532 -10.743 1.00 0.93 H new ATOM 0 HG3 GLU A 35 128.185 -0.068 -9.696 1.00 0.93 H new ATOM 532 N GLU A 36 128.116 4.267 -11.529 1.00 0.39 N ATOM 533 CA GLU A 36 128.129 5.537 -12.306 1.00 0.43 C ATOM 534 C GLU A 36 129.023 6.545 -11.587 1.00 0.45 C ATOM 535 O GLU A 36 129.460 7.527 -12.156 1.00 0.49 O ATOM 536 CB GLU A 36 126.708 6.094 -12.397 1.00 0.45 C ATOM 537 CG GLU A 36 125.864 5.195 -13.302 1.00 1.12 C ATOM 538 CD GLU A 36 124.435 5.738 -13.367 1.00 1.39 C ATOM 539 OE1 GLU A 36 124.168 6.730 -12.708 1.00 1.86 O ATOM 540 OE2 GLU A 36 123.631 5.151 -14.072 1.00 2.00 O ATOM 0 H GLU A 36 127.227 4.046 -11.081 1.00 0.39 H new ATOM 0 HA GLU A 36 128.509 5.352 -13.311 1.00 0.43 H new ATOM 0 HB2 GLU A 36 126.263 6.148 -11.403 1.00 0.45 H new ATOM 0 HB3 GLU A 36 126.729 7.109 -12.793 1.00 0.45 H new ATOM 0 HG2 GLU A 36 126.297 5.158 -14.302 1.00 1.12 H new ATOM 0 HG3 GLU A 36 125.860 4.175 -12.918 1.00 1.12 H new ATOM 547 N ARG A 37 129.269 6.319 -10.328 1.00 0.42 N ATOM 548 CA ARG A 37 130.107 7.275 -9.546 1.00 0.45 C ATOM 549 C ARG A 37 131.587 6.884 -9.657 1.00 0.42 C ATOM 550 O ARG A 37 132.446 7.557 -9.124 1.00 0.43 O ATOM 551 CB ARG A 37 129.672 7.246 -8.073 1.00 0.45 C ATOM 552 CG ARG A 37 128.267 7.851 -7.916 1.00 0.53 C ATOM 553 CD ARG A 37 128.330 9.386 -7.912 1.00 0.86 C ATOM 554 NE ARG A 37 126.992 9.925 -7.531 1.00 1.42 N ATOM 555 CZ ARG A 37 126.861 11.178 -7.189 1.00 1.88 C ATOM 556 NH1 ARG A 37 127.904 11.964 -7.170 1.00 2.15 N ATOM 557 NH2 ARG A 37 125.686 11.643 -6.864 1.00 2.69 N ATOM 0 H ARG A 37 128.927 5.514 -9.804 1.00 0.42 H new ATOM 0 HA ARG A 37 129.975 8.281 -9.945 1.00 0.45 H new ATOM 0 HB2 ARG A 37 129.676 6.219 -7.706 1.00 0.45 H new ATOM 0 HB3 ARG A 37 130.385 7.804 -7.466 1.00 0.45 H new ATOM 0 HG2 ARG A 37 127.627 7.511 -8.730 1.00 0.53 H new ATOM 0 HG3 ARG A 37 127.816 7.499 -6.988 1.00 0.53 H new ATOM 0 HD2 ARG A 37 129.089 9.730 -7.209 1.00 0.86 H new ATOM 0 HD3 ARG A 37 128.618 9.754 -8.897 1.00 0.86 H new ATOM 0 HE ARG A 37 126.177 9.312 -7.538 1.00 1.42 H new ATOM 0 HH11 ARG A 37 128.822 11.599 -7.423 1.00 2.15 H new ATOM 0 HH12 ARG A 37 127.800 12.943 -6.903 1.00 2.15 H new ATOM 0 HH21 ARG A 37 124.872 11.028 -6.878 1.00 2.69 H new ATOM 0 HH22 ARG A 37 125.581 12.622 -6.596 1.00 2.69 H new ATOM 571 N GLY A 38 131.899 5.830 -10.382 1.00 0.40 N ATOM 572 CA GLY A 38 133.339 5.436 -10.566 1.00 0.39 C ATOM 573 C GLY A 38 133.687 4.180 -9.760 1.00 0.37 C ATOM 574 O GLY A 38 134.826 3.758 -9.737 1.00 0.48 O ATOM 0 H GLY A 38 131.223 5.228 -10.852 1.00 0.40 H new ATOM 0 HA2 GLY A 38 133.536 5.257 -11.623 1.00 0.39 H new ATOM 0 HA3 GLY A 38 133.984 6.258 -10.257 1.00 0.39 H new ATOM 578 N PHE A 39 132.733 3.568 -9.110 1.00 0.31 N ATOM 579 CA PHE A 39 133.028 2.330 -8.317 1.00 0.28 C ATOM 580 C PHE A 39 132.544 1.107 -9.098 1.00 0.28 C ATOM 581 O PHE A 39 131.507 0.546 -8.805 1.00 0.28 O ATOM 582 CB PHE A 39 132.269 2.398 -6.997 1.00 0.27 C ATOM 583 CG PHE A 39 132.801 3.531 -6.156 1.00 0.28 C ATOM 584 CD1 PHE A 39 132.258 4.810 -6.293 1.00 0.31 C ATOM 585 CD2 PHE A 39 133.830 3.301 -5.239 1.00 0.28 C ATOM 586 CE1 PHE A 39 132.746 5.866 -5.515 1.00 0.33 C ATOM 587 CE2 PHE A 39 134.320 4.354 -4.457 1.00 0.30 C ATOM 588 CZ PHE A 39 133.778 5.638 -4.596 1.00 0.32 C ATOM 0 H PHE A 39 131.759 3.870 -9.092 1.00 0.31 H new ATOM 0 HA PHE A 39 134.100 2.255 -8.133 1.00 0.28 H new ATOM 0 HB2 PHE A 39 131.205 2.543 -7.186 1.00 0.27 H new ATOM 0 HB3 PHE A 39 132.372 1.455 -6.460 1.00 0.27 H new ATOM 0 HD1 PHE A 39 131.461 4.985 -7.000 1.00 0.31 H new ATOM 0 HD2 PHE A 39 134.248 2.311 -5.133 1.00 0.28 H new ATOM 0 HE1 PHE A 39 132.327 6.856 -5.623 1.00 0.33 H new ATOM 0 HE2 PHE A 39 135.115 4.176 -3.748 1.00 0.30 H new ATOM 0 HZ PHE A 39 134.156 6.452 -3.995 1.00 0.32 H new ATOM 598 N ASP A 40 133.263 0.714 -10.116 1.00 0.30 N ATOM 599 CA ASP A 40 132.811 -0.445 -10.937 1.00 0.31 C ATOM 600 C ASP A 40 133.094 -1.775 -10.222 1.00 0.29 C ATOM 601 O ASP A 40 132.612 -2.812 -10.635 1.00 0.30 O ATOM 602 CB ASP A 40 133.543 -0.423 -12.280 1.00 0.35 C ATOM 603 CG ASP A 40 135.036 -0.657 -12.053 1.00 0.37 C ATOM 604 OD1 ASP A 40 135.482 -0.464 -10.933 1.00 0.37 O ATOM 605 OD2 ASP A 40 135.710 -1.024 -13.001 1.00 0.41 O ATOM 0 H ASP A 40 134.139 1.144 -10.413 1.00 0.30 H new ATOM 0 HA ASP A 40 131.735 -0.363 -11.091 1.00 0.31 H new ATOM 0 HB2 ASP A 40 133.140 -1.193 -12.938 1.00 0.35 H new ATOM 0 HB3 ASP A 40 133.386 0.535 -12.776 1.00 0.35 H new ATOM 610 N LYS A 41 133.859 -1.764 -9.154 1.00 0.28 N ATOM 611 CA LYS A 41 134.155 -3.043 -8.417 1.00 0.28 C ATOM 612 C LYS A 41 134.006 -2.808 -6.909 1.00 0.23 C ATOM 613 O LYS A 41 134.064 -1.692 -6.431 1.00 0.23 O ATOM 614 CB LYS A 41 135.583 -3.508 -8.724 1.00 0.34 C ATOM 615 CG LYS A 41 135.743 -3.811 -10.224 1.00 0.48 C ATOM 616 CD LYS A 41 135.062 -5.139 -10.587 1.00 0.74 C ATOM 617 CE LYS A 41 135.534 -5.585 -11.974 1.00 0.71 C ATOM 618 NZ LYS A 41 136.979 -5.948 -11.912 1.00 1.56 N ATOM 0 H LYS A 41 134.291 -0.929 -8.760 1.00 0.28 H new ATOM 0 HA LYS A 41 133.454 -3.812 -8.740 1.00 0.28 H new ATOM 0 HB2 LYS A 41 136.294 -2.738 -8.425 1.00 0.34 H new ATOM 0 HB3 LYS A 41 135.814 -4.399 -8.141 1.00 0.34 H new ATOM 0 HG2 LYS A 41 135.309 -3.002 -10.812 1.00 0.48 H new ATOM 0 HG3 LYS A 41 136.802 -3.858 -10.479 1.00 0.48 H new ATOM 0 HD2 LYS A 41 135.304 -5.900 -9.845 1.00 0.74 H new ATOM 0 HD3 LYS A 41 133.979 -5.020 -10.579 1.00 0.74 H new ATOM 0 HE2 LYS A 41 134.947 -6.439 -12.313 1.00 0.71 H new ATOM 0 HE3 LYS A 41 135.379 -4.785 -12.698 1.00 0.71 H new ATOM 0 HZ1 LYS A 41 137.532 -5.266 -12.469 1.00 1.56 H new ATOM 0 HZ2 LYS A 41 137.300 -5.928 -10.923 1.00 1.56 H new ATOM 0 HZ3 LYS A 41 137.114 -6.903 -12.301 1.00 1.56 H new ATOM 632 N ALA A 42 133.786 -3.859 -6.163 1.00 0.21 N ATOM 633 CA ALA A 42 133.597 -3.726 -4.686 1.00 0.20 C ATOM 634 C ALA A 42 134.866 -3.220 -3.985 1.00 0.18 C ATOM 635 O ALA A 42 134.799 -2.384 -3.105 1.00 0.18 O ATOM 636 CB ALA A 42 133.220 -5.095 -4.115 1.00 0.21 C ATOM 0 H ALA A 42 133.728 -4.814 -6.517 1.00 0.21 H new ATOM 0 HA ALA A 42 132.808 -2.995 -4.509 1.00 0.20 H new ATOM 0 HB1 ALA A 42 133.079 -5.013 -3.037 1.00 0.21 H new ATOM 0 HB2 ALA A 42 132.295 -5.440 -4.577 1.00 0.21 H new ATOM 0 HB3 ALA A 42 134.017 -5.808 -4.323 1.00 0.21 H new ATOM 642 N TYR A 43 136.011 -3.744 -4.321 1.00 0.19 N ATOM 643 CA TYR A 43 137.257 -3.313 -3.619 1.00 0.18 C ATOM 644 C TYR A 43 137.433 -1.793 -3.724 1.00 0.17 C ATOM 645 O TYR A 43 138.155 -1.197 -2.955 1.00 0.17 O ATOM 646 CB TYR A 43 138.480 -4.038 -4.199 1.00 0.20 C ATOM 647 CG TYR A 43 138.893 -3.432 -5.519 1.00 0.21 C ATOM 648 CD1 TYR A 43 139.784 -2.354 -5.537 1.00 0.21 C ATOM 649 CD2 TYR A 43 138.409 -3.958 -6.721 1.00 0.24 C ATOM 650 CE1 TYR A 43 140.189 -1.798 -6.750 1.00 0.25 C ATOM 651 CE2 TYR A 43 138.813 -3.399 -7.938 1.00 0.28 C ATOM 652 CZ TYR A 43 139.703 -2.321 -7.953 1.00 0.28 C ATOM 653 OH TYR A 43 140.103 -1.775 -9.155 1.00 0.32 O ATOM 0 H TYR A 43 136.141 -4.449 -5.047 1.00 0.19 H new ATOM 0 HA TYR A 43 137.168 -3.578 -2.565 1.00 0.18 H new ATOM 0 HB2 TYR A 43 139.309 -3.981 -3.494 1.00 0.20 H new ATOM 0 HB3 TYR A 43 138.250 -5.095 -4.336 1.00 0.20 H new ATOM 0 HD1 TYR A 43 140.160 -1.951 -4.608 1.00 0.21 H new ATOM 0 HD2 TYR A 43 137.725 -4.794 -6.710 1.00 0.24 H new ATOM 0 HE1 TYR A 43 140.877 -0.965 -6.761 1.00 0.25 H new ATOM 0 HE2 TYR A 43 138.437 -3.801 -8.867 1.00 0.28 H new ATOM 0 HH TYR A 43 139.673 -2.257 -9.892 1.00 0.32 H new ATOM 663 N VAL A 44 136.765 -1.155 -4.644 1.00 0.18 N ATOM 664 CA VAL A 44 136.895 0.329 -4.755 1.00 0.18 C ATOM 665 C VAL A 44 136.000 0.971 -3.690 1.00 0.17 C ATOM 666 O VAL A 44 136.286 2.025 -3.151 1.00 0.18 O ATOM 667 CB VAL A 44 136.463 0.782 -6.152 1.00 0.20 C ATOM 668 CG1 VAL A 44 136.784 2.271 -6.335 1.00 0.22 C ATOM 669 CG2 VAL A 44 137.219 -0.030 -7.207 1.00 0.24 C ATOM 0 H VAL A 44 136.138 -1.591 -5.321 1.00 0.18 H new ATOM 0 HA VAL A 44 137.931 0.631 -4.599 1.00 0.18 H new ATOM 0 HB VAL A 44 135.390 0.625 -6.265 1.00 0.20 H new ATOM 0 HG11 VAL A 44 136.475 2.590 -7.330 1.00 0.22 H new ATOM 0 HG12 VAL A 44 136.249 2.853 -5.585 1.00 0.22 H new ATOM 0 HG13 VAL A 44 137.856 2.429 -6.220 1.00 0.22 H new ATOM 0 HG21 VAL A 44 136.912 0.292 -8.202 1.00 0.24 H new ATOM 0 HG22 VAL A 44 138.291 0.128 -7.089 1.00 0.24 H new ATOM 0 HG23 VAL A 44 136.993 -1.089 -7.082 1.00 0.24 H new ATOM 679 N VAL A 45 134.916 0.308 -3.385 1.00 0.17 N ATOM 680 CA VAL A 45 133.970 0.824 -2.355 1.00 0.17 C ATOM 681 C VAL A 45 134.570 0.563 -0.975 1.00 0.16 C ATOM 682 O VAL A 45 134.494 1.394 -0.091 1.00 0.16 O ATOM 683 CB VAL A 45 132.619 0.112 -2.489 1.00 0.18 C ATOM 684 CG1 VAL A 45 131.734 0.446 -1.283 1.00 0.22 C ATOM 685 CG2 VAL A 45 131.917 0.566 -3.780 1.00 0.20 C ATOM 0 H VAL A 45 134.644 -0.578 -3.811 1.00 0.17 H new ATOM 0 HA VAL A 45 133.811 1.894 -2.491 1.00 0.17 H new ATOM 0 HB VAL A 45 132.787 -0.964 -2.527 1.00 0.18 H new ATOM 0 HG11 VAL A 45 130.775 -0.063 -1.383 1.00 0.22 H new ATOM 0 HG12 VAL A 45 132.226 0.116 -0.368 1.00 0.22 H new ATOM 0 HG13 VAL A 45 131.571 1.523 -1.239 1.00 0.22 H new ATOM 0 HG21 VAL A 45 130.957 0.057 -3.871 1.00 0.20 H new ATOM 0 HG22 VAL A 45 131.755 1.643 -3.746 1.00 0.20 H new ATOM 0 HG23 VAL A 45 132.541 0.320 -4.639 1.00 0.20 H new ATOM 695 N LEU A 46 135.201 -0.562 -0.789 1.00 0.17 N ATOM 696 CA LEU A 46 135.836 -0.828 0.526 1.00 0.18 C ATOM 697 C LEU A 46 136.862 0.279 0.748 1.00 0.17 C ATOM 698 O LEU A 46 137.045 0.777 1.840 1.00 0.18 O ATOM 699 CB LEU A 46 136.537 -2.197 0.505 1.00 0.22 C ATOM 700 CG LEU A 46 137.202 -2.486 1.868 1.00 0.25 C ATOM 701 CD1 LEU A 46 136.138 -2.773 2.937 1.00 0.40 C ATOM 702 CD2 LEU A 46 138.135 -3.698 1.752 1.00 0.35 C ATOM 0 H LEU A 46 135.303 -1.301 -1.485 1.00 0.17 H new ATOM 0 HA LEU A 46 135.094 -0.844 1.325 1.00 0.18 H new ATOM 0 HB2 LEU A 46 135.814 -2.979 0.274 1.00 0.22 H new ATOM 0 HB3 LEU A 46 137.289 -2.215 -0.284 1.00 0.22 H new ATOM 0 HG LEU A 46 137.776 -1.607 2.160 1.00 0.25 H new ATOM 0 HD11 LEU A 46 136.626 -2.974 3.891 1.00 0.40 H new ATOM 0 HD12 LEU A 46 135.483 -1.908 3.040 1.00 0.40 H new ATOM 0 HD13 LEU A 46 135.549 -3.641 2.640 1.00 0.40 H new ATOM 0 HD21 LEU A 46 138.599 -3.894 2.719 1.00 0.35 H new ATOM 0 HD22 LEU A 46 137.561 -4.571 1.442 1.00 0.35 H new ATOM 0 HD23 LEU A 46 138.909 -3.492 1.013 1.00 0.35 H new ATOM 714 N GLY A 47 137.528 0.664 -0.306 1.00 0.17 N ATOM 715 CA GLY A 47 138.547 1.742 -0.213 1.00 0.18 C ATOM 716 C GLY A 47 137.941 2.972 0.453 1.00 0.18 C ATOM 717 O GLY A 47 138.533 3.569 1.328 1.00 0.18 O ATOM 0 H GLY A 47 137.406 0.271 -1.239 1.00 0.17 H new ATOM 0 HA2 GLY A 47 139.406 1.394 0.360 1.00 0.18 H new ATOM 0 HA3 GLY A 47 138.910 1.998 -1.208 1.00 0.18 H new ATOM 721 N GLN A 48 136.765 3.361 0.047 1.00 0.17 N ATOM 722 CA GLN A 48 136.133 4.560 0.663 1.00 0.18 C ATOM 723 C GLN A 48 135.952 4.322 2.168 1.00 0.17 C ATOM 724 O GLN A 48 136.201 5.193 2.975 1.00 0.18 O ATOM 725 CB GLN A 48 134.771 4.806 0.005 1.00 0.19 C ATOM 726 CG GLN A 48 134.226 6.173 0.434 1.00 0.22 C ATOM 727 CD GLN A 48 134.923 7.282 -0.363 1.00 0.28 C ATOM 728 OE1 GLN A 48 134.508 8.423 -0.326 1.00 0.98 O ATOM 729 NE2 GLN A 48 135.968 6.992 -1.090 1.00 1.09 N ATOM 0 H GLN A 48 136.217 2.903 -0.681 1.00 0.17 H new ATOM 0 HA GLN A 48 136.768 5.433 0.513 1.00 0.18 H new ATOM 0 HB2 GLN A 48 134.869 4.768 -1.080 1.00 0.19 H new ATOM 0 HB3 GLN A 48 134.072 4.020 0.290 1.00 0.19 H new ATOM 0 HG2 GLN A 48 133.150 6.214 0.268 1.00 0.22 H new ATOM 0 HG3 GLN A 48 134.390 6.322 1.501 1.00 0.22 H new ATOM 0 HE21 GLN A 48 136.317 6.034 -1.122 1.00 1.09 H new ATOM 0 HE22 GLN A 48 136.435 7.723 -1.626 1.00 1.09 H new ATOM 738 N PHE A 49 135.533 3.148 2.554 1.00 0.17 N ATOM 739 CA PHE A 49 135.352 2.856 4.007 1.00 0.17 C ATOM 740 C PHE A 49 136.696 3.031 4.717 1.00 0.18 C ATOM 741 O PHE A 49 136.777 3.560 5.808 1.00 0.19 O ATOM 742 CB PHE A 49 134.865 1.415 4.163 1.00 0.17 C ATOM 743 CG PHE A 49 134.658 1.088 5.624 1.00 0.19 C ATOM 744 CD1 PHE A 49 133.585 1.659 6.320 1.00 0.23 C ATOM 745 CD2 PHE A 49 135.523 0.200 6.280 1.00 0.28 C ATOM 746 CE1 PHE A 49 133.377 1.345 7.669 1.00 0.26 C ATOM 747 CE2 PHE A 49 135.315 -0.112 7.628 1.00 0.31 C ATOM 748 CZ PHE A 49 134.242 0.460 8.323 1.00 0.26 C ATOM 0 H PHE A 49 135.308 2.376 1.926 1.00 0.17 H new ATOM 0 HA PHE A 49 134.620 3.535 4.444 1.00 0.17 H new ATOM 0 HB2 PHE A 49 133.932 1.278 3.617 1.00 0.17 H new ATOM 0 HB3 PHE A 49 135.592 0.729 3.729 1.00 0.17 H new ATOM 0 HD1 PHE A 49 132.917 2.342 5.816 1.00 0.23 H new ATOM 0 HD2 PHE A 49 136.350 -0.243 5.745 1.00 0.28 H new ATOM 0 HE1 PHE A 49 132.549 1.786 8.205 1.00 0.26 H new ATOM 0 HE2 PHE A 49 135.982 -0.795 8.133 1.00 0.31 H new ATOM 0 HZ PHE A 49 134.082 0.218 9.363 1.00 0.26 H new ATOM 758 N LEU A 50 137.744 2.588 4.095 1.00 0.19 N ATOM 759 CA LEU A 50 139.089 2.722 4.721 1.00 0.21 C ATOM 760 C LEU A 50 139.483 4.207 4.728 1.00 0.21 C ATOM 761 O LEU A 50 140.060 4.700 5.677 1.00 0.23 O ATOM 762 CB LEU A 50 140.109 1.897 3.922 1.00 0.23 C ATOM 763 CG LEU A 50 139.758 0.395 3.995 1.00 0.23 C ATOM 764 CD1 LEU A 50 140.484 -0.360 2.873 1.00 0.28 C ATOM 765 CD2 LEU A 50 140.196 -0.194 5.345 1.00 0.28 C ATOM 0 H LEU A 50 137.732 2.138 3.180 1.00 0.19 H new ATOM 0 HA LEU A 50 139.070 2.350 5.746 1.00 0.21 H new ATOM 0 HB2 LEU A 50 140.118 2.225 2.883 1.00 0.23 H new ATOM 0 HB3 LEU A 50 141.111 2.063 4.318 1.00 0.23 H new ATOM 0 HG LEU A 50 138.679 0.288 3.885 1.00 0.23 H new ATOM 0 HD11 LEU A 50 140.235 -1.420 2.927 1.00 0.28 H new ATOM 0 HD12 LEU A 50 140.173 0.037 1.907 1.00 0.28 H new ATOM 0 HD13 LEU A 50 141.561 -0.234 2.987 1.00 0.28 H new ATOM 0 HD21 LEU A 50 139.941 -1.253 5.380 1.00 0.28 H new ATOM 0 HD22 LEU A 50 141.273 -0.076 5.461 1.00 0.28 H new ATOM 0 HD23 LEU A 50 139.685 0.329 6.153 1.00 0.28 H new ATOM 777 N VAL A 51 139.184 4.917 3.676 1.00 0.21 N ATOM 778 CA VAL A 51 139.549 6.367 3.611 1.00 0.23 C ATOM 779 C VAL A 51 138.725 7.178 4.628 1.00 0.23 C ATOM 780 O VAL A 51 139.094 8.274 5.001 1.00 0.24 O ATOM 781 CB VAL A 51 139.287 6.903 2.192 1.00 0.25 C ATOM 782 CG1 VAL A 51 139.397 8.433 2.178 1.00 0.28 C ATOM 783 CG2 VAL A 51 140.317 6.319 1.217 1.00 0.27 C ATOM 0 H VAL A 51 138.701 4.557 2.853 1.00 0.21 H new ATOM 0 HA VAL A 51 140.606 6.472 3.854 1.00 0.23 H new ATOM 0 HB VAL A 51 138.283 6.608 1.887 1.00 0.25 H new ATOM 0 HG11 VAL A 51 139.210 8.802 1.170 1.00 0.28 H new ATOM 0 HG12 VAL A 51 138.662 8.857 2.862 1.00 0.28 H new ATOM 0 HG13 VAL A 51 140.398 8.729 2.493 1.00 0.28 H new ATOM 0 HG21 VAL A 51 140.127 6.702 0.214 1.00 0.27 H new ATOM 0 HG22 VAL A 51 141.320 6.608 1.531 1.00 0.27 H new ATOM 0 HG23 VAL A 51 140.237 5.232 1.212 1.00 0.27 H new ATOM 793 N LEU A 52 137.599 6.667 5.053 1.00 0.22 N ATOM 794 CA LEU A 52 136.738 7.429 6.015 1.00 0.23 C ATOM 795 C LEU A 52 137.118 7.104 7.462 1.00 0.23 C ATOM 796 O LEU A 52 136.391 7.422 8.383 1.00 0.24 O ATOM 797 CB LEU A 52 135.279 7.043 5.780 1.00 0.24 C ATOM 798 CG LEU A 52 134.803 7.585 4.422 1.00 0.25 C ATOM 799 CD1 LEU A 52 133.443 6.962 4.085 1.00 0.31 C ATOM 800 CD2 LEU A 52 134.677 9.124 4.468 1.00 0.27 C ATOM 0 H LEU A 52 137.236 5.755 4.777 1.00 0.22 H new ATOM 0 HA LEU A 52 136.884 8.497 5.851 1.00 0.23 H new ATOM 0 HB2 LEU A 52 135.173 5.958 5.805 1.00 0.24 H new ATOM 0 HB3 LEU A 52 134.655 7.443 6.579 1.00 0.24 H new ATOM 0 HG LEU A 52 135.532 7.322 3.655 1.00 0.25 H new ATOM 0 HD11 LEU A 52 133.098 7.341 3.123 1.00 0.31 H new ATOM 0 HD12 LEU A 52 133.542 5.878 4.034 1.00 0.31 H new ATOM 0 HD13 LEU A 52 132.721 7.224 4.859 1.00 0.31 H new ATOM 0 HD21 LEU A 52 134.339 9.491 3.499 1.00 0.27 H new ATOM 0 HD22 LEU A 52 133.956 9.407 5.235 1.00 0.27 H new ATOM 0 HD23 LEU A 52 135.647 9.562 4.703 1.00 0.27 H new ATOM 812 N LYS A 53 138.238 6.485 7.683 1.00 0.22 N ATOM 813 CA LYS A 53 138.643 6.155 9.079 1.00 0.23 C ATOM 814 C LYS A 53 137.502 5.430 9.805 1.00 0.24 C ATOM 815 O LYS A 53 137.298 5.616 10.987 1.00 0.30 O ATOM 816 CB LYS A 53 138.982 7.441 9.837 1.00 0.29 C ATOM 817 CG LYS A 53 140.182 8.126 9.182 1.00 0.38 C ATOM 818 CD LYS A 53 140.557 9.367 9.995 1.00 0.49 C ATOM 819 CE LYS A 53 141.635 10.163 9.256 1.00 0.90 C ATOM 820 NZ LYS A 53 141.105 10.608 7.934 1.00 1.70 N ATOM 0 H LYS A 53 138.894 6.191 6.959 1.00 0.22 H new ATOM 0 HA LYS A 53 139.518 5.506 9.044 1.00 0.23 H new ATOM 0 HB2 LYS A 53 138.123 8.112 9.836 1.00 0.29 H new ATOM 0 HB3 LYS A 53 139.206 7.212 10.879 1.00 0.29 H new ATOM 0 HG2 LYS A 53 141.027 7.439 9.134 1.00 0.38 H new ATOM 0 HG3 LYS A 53 139.941 8.407 8.157 1.00 0.38 H new ATOM 0 HD2 LYS A 53 139.676 9.989 10.153 1.00 0.49 H new ATOM 0 HD3 LYS A 53 140.920 9.072 10.980 1.00 0.49 H new ATOM 0 HE2 LYS A 53 141.935 11.027 9.849 1.00 0.90 H new ATOM 0 HE3 LYS A 53 142.524 9.548 9.115 1.00 0.90 H new ATOM 0 HZ1 LYS A 53 141.775 11.273 7.497 1.00 1.70 H new ATOM 0 HZ2 LYS A 53 140.983 9.783 7.313 1.00 1.70 H new ATOM 0 HZ3 LYS A 53 140.188 11.079 8.068 1.00 1.70 H new ATOM 834 N LYS A 54 136.761 4.600 9.109 1.00 0.22 N ATOM 835 CA LYS A 54 135.639 3.843 9.743 1.00 0.25 C ATOM 836 C LYS A 54 134.653 4.804 10.410 1.00 0.27 C ATOM 837 O LYS A 54 133.864 4.405 11.244 1.00 0.33 O ATOM 838 CB LYS A 54 136.201 2.876 10.791 1.00 0.35 C ATOM 839 CG LYS A 54 137.154 1.891 10.112 1.00 0.67 C ATOM 840 CD LYS A 54 137.721 0.922 11.152 1.00 0.83 C ATOM 841 CE LYS A 54 138.673 -0.061 10.465 1.00 1.41 C ATOM 842 NZ LYS A 54 139.902 0.663 10.029 1.00 2.24 N ATOM 0 H LYS A 54 136.890 4.414 8.114 1.00 0.22 H new ATOM 0 HA LYS A 54 135.113 3.283 8.970 1.00 0.25 H new ATOM 0 HB2 LYS A 54 136.726 3.430 11.569 1.00 0.35 H new ATOM 0 HB3 LYS A 54 135.388 2.337 11.277 1.00 0.35 H new ATOM 0 HG2 LYS A 54 136.627 1.338 9.334 1.00 0.67 H new ATOM 0 HG3 LYS A 54 137.965 2.432 9.625 1.00 0.67 H new ATOM 0 HD2 LYS A 54 138.249 1.474 11.930 1.00 0.83 H new ATOM 0 HD3 LYS A 54 136.911 0.380 11.640 1.00 0.83 H new ATOM 0 HE2 LYS A 54 138.936 -0.868 11.149 1.00 1.41 H new ATOM 0 HE3 LYS A 54 138.183 -0.519 9.606 1.00 1.41 H new ATOM 0 HZ1 LYS A 54 140.652 -0.025 9.814 1.00 2.24 H new ATOM 0 HZ2 LYS A 54 139.692 1.223 9.178 1.00 2.24 H new ATOM 0 HZ3 LYS A 54 140.220 1.296 10.790 1.00 2.24 H new ATOM 856 N ASP A 55 134.659 6.055 10.044 1.00 0.29 N ATOM 857 CA ASP A 55 133.683 6.998 10.662 1.00 0.39 C ATOM 858 C ASP A 55 132.280 6.632 10.164 1.00 0.37 C ATOM 859 O ASP A 55 131.928 6.881 9.028 1.00 0.37 O ATOM 860 CB ASP A 55 134.026 8.426 10.244 1.00 0.46 C ATOM 861 CG ASP A 55 135.253 8.905 11.019 1.00 1.18 C ATOM 862 OD1 ASP A 55 135.320 8.639 12.208 1.00 1.80 O ATOM 863 OD2 ASP A 55 136.108 9.527 10.411 1.00 1.55 O ATOM 0 H ASP A 55 135.288 6.463 9.353 1.00 0.29 H new ATOM 0 HA ASP A 55 133.722 6.929 11.749 1.00 0.39 H new ATOM 0 HB2 ASP A 55 134.222 8.465 9.172 1.00 0.46 H new ATOM 0 HB3 ASP A 55 133.180 9.086 10.438 1.00 0.46 H new ATOM 868 N GLU A 56 131.487 6.020 11.002 1.00 0.38 N ATOM 869 CA GLU A 56 130.112 5.603 10.593 1.00 0.37 C ATOM 870 C GLU A 56 129.230 6.807 10.232 1.00 0.38 C ATOM 871 O GLU A 56 128.459 6.755 9.297 1.00 0.37 O ATOM 872 CB GLU A 56 129.465 4.834 11.747 1.00 0.39 C ATOM 873 CG GLU A 56 128.163 4.188 11.270 1.00 0.41 C ATOM 874 CD GLU A 56 127.592 3.313 12.388 1.00 0.62 C ATOM 875 OE1 GLU A 56 128.210 3.253 13.439 1.00 0.87 O ATOM 876 OE2 GLU A 56 126.553 2.712 12.171 1.00 0.85 O ATOM 0 H GLU A 56 131.735 5.788 11.964 1.00 0.38 H new ATOM 0 HA GLU A 56 130.198 4.976 9.706 1.00 0.37 H new ATOM 0 HB2 GLU A 56 130.148 4.069 12.115 1.00 0.39 H new ATOM 0 HB3 GLU A 56 129.264 5.509 12.579 1.00 0.39 H new ATOM 0 HG2 GLU A 56 127.443 4.957 10.991 1.00 0.41 H new ATOM 0 HG3 GLU A 56 128.347 3.586 10.380 1.00 0.41 H new ATOM 883 N ASP A 57 129.322 7.883 10.965 1.00 0.40 N ATOM 884 CA ASP A 57 128.463 9.069 10.660 1.00 0.41 C ATOM 885 C ASP A 57 128.870 9.663 9.310 1.00 0.40 C ATOM 886 O ASP A 57 128.041 10.053 8.512 1.00 0.40 O ATOM 887 CB ASP A 57 128.673 10.131 11.742 1.00 0.45 C ATOM 888 CG ASP A 57 128.061 9.657 13.061 1.00 0.47 C ATOM 889 OD1 ASP A 57 127.224 8.771 13.021 1.00 0.64 O ATOM 890 OD2 ASP A 57 128.445 10.188 14.091 1.00 0.73 O ATOM 0 H ASP A 57 129.952 7.995 11.760 1.00 0.40 H new ATOM 0 HA ASP A 57 127.418 8.760 10.630 1.00 0.41 H new ATOM 0 HB2 ASP A 57 129.738 10.324 11.873 1.00 0.45 H new ATOM 0 HB3 ASP A 57 128.215 11.071 11.435 1.00 0.45 H new ATOM 895 N LEU A 58 130.137 9.709 9.046 1.00 0.40 N ATOM 896 CA LEU A 58 130.593 10.255 7.737 1.00 0.40 C ATOM 897 C LEU A 58 130.235 9.259 6.639 1.00 0.37 C ATOM 898 O LEU A 58 129.837 9.628 5.551 1.00 0.38 O ATOM 899 CB LEU A 58 132.108 10.479 7.743 1.00 0.40 C ATOM 900 CG LEU A 58 132.486 11.583 8.741 1.00 0.47 C ATOM 901 CD1 LEU A 58 134.012 11.720 8.777 1.00 0.45 C ATOM 902 CD2 LEU A 58 131.857 12.926 8.318 1.00 0.55 C ATOM 0 H LEU A 58 130.878 9.395 9.673 1.00 0.40 H new ATOM 0 HA LEU A 58 130.102 11.212 7.559 1.00 0.40 H new ATOM 0 HB2 LEU A 58 132.617 9.552 8.007 1.00 0.40 H new ATOM 0 HB3 LEU A 58 132.445 10.754 6.743 1.00 0.40 H new ATOM 0 HG LEU A 58 132.111 11.318 9.730 1.00 0.47 H new ATOM 0 HD11 LEU A 58 134.291 12.502 9.483 1.00 0.45 H new ATOM 0 HD12 LEU A 58 134.455 10.774 9.089 1.00 0.45 H new ATOM 0 HD13 LEU A 58 134.377 11.981 7.784 1.00 0.45 H new ATOM 0 HD21 LEU A 58 132.134 13.699 9.035 1.00 0.55 H new ATOM 0 HD22 LEU A 58 132.220 13.202 7.328 1.00 0.55 H new ATOM 0 HD23 LEU A 58 130.772 12.827 8.292 1.00 0.55 H new ATOM 914 N PHE A 59 130.359 7.994 6.927 1.00 0.36 N ATOM 915 CA PHE A 59 130.011 6.962 5.918 1.00 0.35 C ATOM 916 C PHE A 59 128.517 7.024 5.603 1.00 0.35 C ATOM 917 O PHE A 59 128.109 6.910 4.465 1.00 0.35 O ATOM 918 CB PHE A 59 130.372 5.578 6.458 1.00 0.34 C ATOM 919 CG PHE A 59 129.932 4.530 5.469 1.00 0.33 C ATOM 920 CD1 PHE A 59 130.796 4.126 4.444 1.00 0.35 C ATOM 921 CD2 PHE A 59 128.658 3.962 5.577 1.00 0.36 C ATOM 922 CE1 PHE A 59 130.384 3.153 3.527 1.00 0.36 C ATOM 923 CE2 PHE A 59 128.247 2.989 4.661 1.00 0.38 C ATOM 924 CZ PHE A 59 129.109 2.585 3.635 1.00 0.36 C ATOM 0 H PHE A 59 130.688 7.631 7.822 1.00 0.36 H new ATOM 0 HA PHE A 59 130.572 7.150 5.003 1.00 0.35 H new ATOM 0 HB2 PHE A 59 131.447 5.509 6.625 1.00 0.34 H new ATOM 0 HB3 PHE A 59 129.888 5.413 7.421 1.00 0.34 H new ATOM 0 HD1 PHE A 59 131.779 4.565 4.361 1.00 0.35 H new ATOM 0 HD2 PHE A 59 127.992 4.275 6.368 1.00 0.36 H new ATOM 0 HE1 PHE A 59 131.049 2.840 2.736 1.00 0.36 H new ATOM 0 HE2 PHE A 59 127.264 2.549 4.745 1.00 0.38 H new ATOM 0 HZ PHE A 59 128.790 1.835 2.926 1.00 0.36 H new ATOM 934 N ARG A 60 127.695 7.187 6.604 1.00 0.37 N ATOM 935 CA ARG A 60 126.229 7.231 6.350 1.00 0.38 C ATOM 936 C ARG A 60 125.886 8.389 5.411 1.00 0.39 C ATOM 937 O ARG A 60 125.174 8.212 4.442 1.00 0.39 O ATOM 938 CB ARG A 60 125.476 7.412 7.675 1.00 0.42 C ATOM 939 CG ARG A 60 125.490 6.099 8.465 1.00 0.43 C ATOM 940 CD ARG A 60 124.882 6.326 9.852 1.00 0.50 C ATOM 941 NE ARG A 60 124.783 5.020 10.569 1.00 1.31 N ATOM 942 CZ ARG A 60 124.518 4.993 11.847 1.00 1.55 C ATOM 943 NH1 ARG A 60 124.311 6.108 12.494 1.00 1.16 N ATOM 944 NH2 ARG A 60 124.451 3.852 12.478 1.00 2.64 N ATOM 0 H ARG A 60 127.974 7.291 7.580 1.00 0.37 H new ATOM 0 HA ARG A 60 125.929 6.293 5.884 1.00 0.38 H new ATOM 0 HB2 ARG A 60 125.940 8.205 8.262 1.00 0.42 H new ATOM 0 HB3 ARG A 60 124.448 7.719 7.481 1.00 0.42 H new ATOM 0 HG2 ARG A 60 124.925 5.335 7.930 1.00 0.43 H new ATOM 0 HG3 ARG A 60 126.512 5.732 8.561 1.00 0.43 H new ATOM 0 HD2 ARG A 60 125.498 7.021 10.422 1.00 0.50 H new ATOM 0 HD3 ARG A 60 123.895 6.778 9.759 1.00 0.50 H new ATOM 0 HE ARG A 60 124.923 4.148 10.059 1.00 1.31 H new ATOM 0 HH11 ARG A 60 124.356 7.000 12.001 1.00 1.16 H new ATOM 0 HH12 ARG A 60 124.104 6.087 13.493 1.00 1.16 H new ATOM 0 HH21 ARG A 60 124.606 2.980 11.972 1.00 2.64 H new ATOM 0 HH22 ARG A 60 124.244 3.833 13.477 1.00 2.64 H new ATOM 958 N GLU A 61 126.379 9.571 5.669 1.00 0.41 N ATOM 959 CA GLU A 61 126.064 10.710 4.764 1.00 0.44 C ATOM 960 C GLU A 61 126.689 10.467 3.388 1.00 0.42 C ATOM 961 O GLU A 61 126.092 10.758 2.371 1.00 0.42 O ATOM 962 CB GLU A 61 126.624 12.007 5.355 1.00 0.48 C ATOM 963 CG GLU A 61 126.298 13.177 4.422 1.00 1.29 C ATOM 964 CD GLU A 61 126.705 14.491 5.092 1.00 1.76 C ATOM 965 OE1 GLU A 61 127.189 14.439 6.210 1.00 2.32 O ATOM 966 OE2 GLU A 61 126.523 15.528 4.476 1.00 2.37 O ATOM 0 H GLU A 61 126.981 9.794 6.461 1.00 0.41 H new ATOM 0 HA GLU A 61 124.982 10.795 4.660 1.00 0.44 H new ATOM 0 HB2 GLU A 61 126.195 12.184 6.341 1.00 0.48 H new ATOM 0 HB3 GLU A 61 127.703 11.923 5.487 1.00 0.48 H new ATOM 0 HG2 GLU A 61 126.826 13.060 3.476 1.00 1.29 H new ATOM 0 HG3 GLU A 61 125.232 13.188 4.193 1.00 1.29 H new ATOM 973 N TRP A 62 127.881 9.946 3.340 1.00 0.40 N ATOM 974 CA TRP A 62 128.527 9.703 2.017 1.00 0.38 C ATOM 975 C TRP A 62 127.706 8.711 1.189 1.00 0.36 C ATOM 976 O TRP A 62 127.409 8.948 0.037 1.00 0.36 O ATOM 977 CB TRP A 62 129.948 9.149 2.223 1.00 0.38 C ATOM 978 CG TRP A 62 130.502 8.678 0.908 1.00 0.36 C ATOM 979 CD1 TRP A 62 131.123 9.457 -0.009 1.00 0.38 C ATOM 980 CD2 TRP A 62 130.471 7.333 0.350 1.00 0.34 C ATOM 981 NE1 TRP A 62 131.476 8.671 -1.095 1.00 0.37 N ATOM 982 CE2 TRP A 62 131.095 7.354 -0.920 1.00 0.35 C ATOM 983 CE3 TRP A 62 129.966 6.107 0.819 1.00 0.32 C ATOM 984 CZ2 TRP A 62 131.212 6.197 -1.696 1.00 0.34 C ATOM 985 CZ3 TRP A 62 130.083 4.944 0.043 1.00 0.31 C ATOM 986 CH2 TRP A 62 130.704 4.990 -1.212 1.00 0.32 C ATOM 0 H TRP A 62 128.436 9.678 4.153 1.00 0.40 H new ATOM 0 HA TRP A 62 128.578 10.650 1.480 1.00 0.38 H new ATOM 0 HB2 TRP A 62 130.592 9.920 2.645 1.00 0.38 H new ATOM 0 HB3 TRP A 62 129.928 8.325 2.936 1.00 0.38 H new ATOM 0 HD1 TRP A 62 131.312 10.516 0.089 1.00 0.38 H new ATOM 0 HE1 TRP A 62 131.958 9.022 -1.922 1.00 0.37 H new ATOM 0 HE3 TRP A 62 129.484 6.060 1.784 1.00 0.32 H new ATOM 0 HZ2 TRP A 62 131.692 6.237 -2.663 1.00 0.34 H new ATOM 0 HZ3 TRP A 62 129.692 4.008 0.415 1.00 0.31 H new ATOM 0 HH2 TRP A 62 130.790 4.092 -1.805 1.00 0.32 H new ATOM 997 N LEU A 63 127.350 7.597 1.759 1.00 0.34 N ATOM 998 CA LEU A 63 126.565 6.595 0.988 1.00 0.32 C ATOM 999 C LEU A 63 125.159 7.133 0.704 1.00 0.33 C ATOM 1000 O LEU A 63 124.680 7.084 -0.410 1.00 0.32 O ATOM 1001 CB LEU A 63 126.481 5.294 1.798 1.00 0.31 C ATOM 1002 CG LEU A 63 125.677 4.236 1.033 1.00 0.31 C ATOM 1003 CD1 LEU A 63 126.331 3.948 -0.331 1.00 0.30 C ATOM 1004 CD2 LEU A 63 125.638 2.949 1.865 1.00 0.32 C ATOM 0 H LEU A 63 127.567 7.336 2.721 1.00 0.34 H new ATOM 0 HA LEU A 63 127.058 6.399 0.036 1.00 0.32 H new ATOM 0 HB2 LEU A 63 127.484 4.920 2.001 1.00 0.31 H new ATOM 0 HB3 LEU A 63 126.012 5.489 2.762 1.00 0.31 H new ATOM 0 HG LEU A 63 124.665 4.605 0.862 1.00 0.31 H new ATOM 0 HD11 LEU A 63 125.749 3.195 -0.862 1.00 0.30 H new ATOM 0 HD12 LEU A 63 126.362 4.864 -0.920 1.00 0.30 H new ATOM 0 HD13 LEU A 63 127.346 3.580 -0.178 1.00 0.30 H new ATOM 0 HD21 LEU A 63 125.069 2.188 1.331 1.00 0.32 H new ATOM 0 HD22 LEU A 63 126.654 2.592 2.031 1.00 0.32 H new ATOM 0 HD23 LEU A 63 125.163 3.151 2.825 1.00 0.32 H new ATOM 1016 N LYS A 64 124.497 7.645 1.703 1.00 0.35 N ATOM 1017 CA LYS A 64 123.125 8.192 1.498 1.00 0.37 C ATOM 1018 C LYS A 64 123.176 9.364 0.518 1.00 0.39 C ATOM 1019 O LYS A 64 122.394 9.453 -0.408 1.00 0.39 O ATOM 1020 CB LYS A 64 122.560 8.661 2.840 1.00 0.41 C ATOM 1021 CG LYS A 64 121.109 9.112 2.666 1.00 0.43 C ATOM 1022 CD LYS A 64 120.560 9.552 4.023 1.00 0.68 C ATOM 1023 CE LYS A 64 119.096 9.974 3.884 1.00 1.25 C ATOM 1024 NZ LYS A 64 118.477 10.055 5.239 1.00 2.11 N ATOM 0 H LYS A 64 124.848 7.709 2.658 1.00 0.35 H new ATOM 0 HA LYS A 64 122.482 7.414 1.087 1.00 0.37 H new ATOM 0 HB2 LYS A 64 122.614 7.853 3.569 1.00 0.41 H new ATOM 0 HB3 LYS A 64 123.161 9.483 3.230 1.00 0.41 H new ATOM 0 HG2 LYS A 64 121.053 9.934 1.952 1.00 0.43 H new ATOM 0 HG3 LYS A 64 120.507 8.298 2.262 1.00 0.43 H new ATOM 0 HD2 LYS A 64 120.645 8.736 4.741 1.00 0.68 H new ATOM 0 HD3 LYS A 64 121.151 10.381 4.412 1.00 0.68 H new ATOM 0 HE2 LYS A 64 119.030 10.940 3.383 1.00 1.25 H new ATOM 0 HE3 LYS A 64 118.555 9.256 3.267 1.00 1.25 H new ATOM 0 HZ1 LYS A 64 117.481 10.342 5.149 1.00 2.11 H new ATOM 0 HZ2 LYS A 64 118.529 9.125 5.701 1.00 2.11 H new ATOM 0 HZ3 LYS A 64 118.988 10.755 5.813 1.00 2.11 H new ATOM 1038 N ASP A 65 124.095 10.264 0.723 1.00 0.41 N ATOM 1039 CA ASP A 65 124.216 11.440 -0.183 1.00 0.45 C ATOM 1040 C ASP A 65 124.702 10.983 -1.557 1.00 0.43 C ATOM 1041 O ASP A 65 124.406 11.594 -2.565 1.00 0.46 O ATOM 1042 CB ASP A 65 125.212 12.443 0.407 1.00 0.49 C ATOM 1043 CG ASP A 65 125.193 13.729 -0.420 1.00 1.17 C ATOM 1044 OD1 ASP A 65 125.305 13.634 -1.632 1.00 1.90 O ATOM 1045 OD2 ASP A 65 125.068 14.789 0.171 1.00 1.42 O ATOM 0 H ASP A 65 124.773 10.236 1.485 1.00 0.41 H new ATOM 0 HA ASP A 65 123.241 11.917 -0.286 1.00 0.45 H new ATOM 0 HB2 ASP A 65 124.954 12.661 1.443 1.00 0.49 H new ATOM 0 HB3 ASP A 65 126.215 12.016 0.411 1.00 0.49 H new ATOM 1050 N THR A 66 125.472 9.930 -1.605 1.00 0.40 N ATOM 1051 CA THR A 66 126.006 9.454 -2.912 1.00 0.39 C ATOM 1052 C THR A 66 124.955 8.639 -3.671 1.00 0.39 C ATOM 1053 O THR A 66 124.950 8.641 -4.885 1.00 0.41 O ATOM 1054 CB THR A 66 127.248 8.589 -2.677 1.00 0.38 C ATOM 1055 OG1 THR A 66 128.274 9.387 -2.103 1.00 0.37 O ATOM 1056 CG2 THR A 66 127.739 8.016 -4.010 1.00 0.39 C ATOM 0 H THR A 66 125.754 9.379 -0.795 1.00 0.40 H new ATOM 0 HA THR A 66 126.268 10.326 -3.512 1.00 0.39 H new ATOM 0 HB THR A 66 126.996 7.771 -2.003 1.00 0.38 H new ATOM 0 HG1 THR A 66 128.355 9.179 -1.149 1.00 0.37 H new ATOM 0 HG21 THR A 66 128.623 7.401 -3.838 1.00 0.39 H new ATOM 0 HG22 THR A 66 126.953 7.406 -4.455 1.00 0.39 H new ATOM 0 HG23 THR A 66 127.991 8.833 -4.686 1.00 0.39 H new ATOM 1064 N CYS A 67 124.086 7.911 -2.998 1.00 0.37 N ATOM 1065 CA CYS A 67 123.077 7.074 -3.732 1.00 0.38 C ATOM 1066 C CYS A 67 121.663 7.245 -3.164 1.00 0.37 C ATOM 1067 O CYS A 67 120.691 7.207 -3.892 1.00 0.40 O ATOM 1068 CB CYS A 67 123.482 5.603 -3.617 1.00 0.37 C ATOM 1069 SG CYS A 67 123.398 5.087 -1.883 1.00 0.36 S ATOM 0 H CYS A 67 124.033 7.861 -1.981 1.00 0.37 H new ATOM 0 HA CYS A 67 123.061 7.400 -4.772 1.00 0.38 H new ATOM 0 HB2 CYS A 67 122.821 4.984 -4.224 1.00 0.37 H new ATOM 0 HB3 CYS A 67 124.492 5.462 -4.001 1.00 0.37 H new ATOM 0 HG CYS A 67 124.190 5.832 -1.170 1.00 0.36 H new ATOM 1075 N GLY A 68 121.537 7.425 -1.868 1.00 0.36 N ATOM 1076 CA GLY A 68 120.181 7.589 -1.243 1.00 0.36 C ATOM 1077 C GLY A 68 119.871 6.365 -0.375 1.00 0.34 C ATOM 1078 O GLY A 68 118.738 6.129 -0.005 1.00 0.34 O ATOM 0 H GLY A 68 122.318 7.466 -1.213 1.00 0.36 H new ATOM 0 HA2 GLY A 68 120.155 8.495 -0.637 1.00 0.36 H new ATOM 0 HA3 GLY A 68 119.422 7.701 -2.017 1.00 0.36 H new ATOM 1082 N ALA A 69 120.865 5.581 -0.046 1.00 0.33 N ATOM 1083 CA ALA A 69 120.626 4.375 0.799 1.00 0.32 C ATOM 1084 C ALA A 69 119.847 4.766 2.055 1.00 0.31 C ATOM 1085 O ALA A 69 119.921 5.887 2.518 1.00 0.32 O ATOM 1086 CB ALA A 69 121.970 3.770 1.205 1.00 0.32 C ATOM 0 H ALA A 69 121.835 5.725 -0.328 1.00 0.33 H new ATOM 0 HA ALA A 69 120.048 3.646 0.231 1.00 0.32 H new ATOM 0 HB1 ALA A 69 121.800 2.888 1.823 1.00 0.32 H new ATOM 0 HB2 ALA A 69 122.526 3.486 0.311 1.00 0.32 H new ATOM 0 HB3 ALA A 69 122.544 4.504 1.771 1.00 0.32 H new ATOM 1092 N ASN A 70 119.088 3.856 2.607 1.00 0.30 N ATOM 1093 CA ASN A 70 118.291 4.180 3.826 1.00 0.30 C ATOM 1094 C ASN A 70 119.110 3.874 5.082 1.00 0.30 C ATOM 1095 O ASN A 70 120.195 3.329 5.015 1.00 0.29 O ATOM 1096 CB ASN A 70 117.026 3.319 3.842 1.00 0.30 C ATOM 1097 CG ASN A 70 116.253 3.519 2.539 1.00 1.06 C ATOM 1098 OD1 ASN A 70 115.802 2.566 1.934 1.00 1.90 O ATOM 1099 ND2 ASN A 70 116.082 4.726 2.077 1.00 1.77 N ATOM 0 H ASN A 70 118.986 2.900 2.265 1.00 0.30 H new ATOM 0 HA ASN A 70 118.029 5.238 3.811 1.00 0.30 H new ATOM 0 HB2 ASN A 70 117.291 2.268 3.962 1.00 0.30 H new ATOM 0 HB3 ASN A 70 116.401 3.589 4.693 1.00 0.30 H new ATOM 0 HD21 ASN A 70 115.569 4.871 1.207 1.00 1.77 H new ATOM 0 HD22 ASN A 70 116.461 5.525 2.585 1.00 1.77 H new ATOM 1106 N ALA A 71 118.594 4.229 6.226 1.00 0.32 N ATOM 1107 CA ALA A 71 119.325 3.972 7.500 1.00 0.34 C ATOM 1108 C ALA A 71 119.531 2.467 7.692 1.00 0.32 C ATOM 1109 O ALA A 71 120.531 2.034 8.227 1.00 0.32 O ATOM 1110 CB ALA A 71 118.508 4.520 8.670 1.00 0.39 C ATOM 0 H ALA A 71 117.690 4.690 6.334 1.00 0.32 H new ATOM 0 HA ALA A 71 120.296 4.465 7.460 1.00 0.34 H new ATOM 0 HB1 ALA A 71 119.039 4.334 9.603 1.00 0.39 H new ATOM 0 HB2 ALA A 71 118.364 5.593 8.542 1.00 0.39 H new ATOM 0 HB3 ALA A 71 117.538 4.024 8.700 1.00 0.39 H new ATOM 1116 N LYS A 72 118.593 1.666 7.268 1.00 0.30 N ATOM 1117 CA LYS A 72 118.750 0.194 7.442 1.00 0.29 C ATOM 1118 C LYS A 72 119.829 -0.323 6.492 1.00 0.27 C ATOM 1119 O LYS A 72 120.618 -1.182 6.835 1.00 0.27 O ATOM 1120 CB LYS A 72 117.422 -0.500 7.137 1.00 0.29 C ATOM 1121 CG LYS A 72 117.515 -1.977 7.530 1.00 1.18 C ATOM 1122 CD LYS A 72 116.186 -2.667 7.224 1.00 1.29 C ATOM 1123 CE LYS A 72 116.273 -4.142 7.615 1.00 2.11 C ATOM 1124 NZ LYS A 72 114.943 -4.785 7.421 1.00 2.58 N ATOM 0 H LYS A 72 117.731 1.964 6.812 1.00 0.30 H new ATOM 0 HA LYS A 72 119.043 -0.020 8.470 1.00 0.29 H new ATOM 0 HB2 LYS A 72 116.613 -0.017 7.685 1.00 0.29 H new ATOM 0 HB3 LYS A 72 117.187 -0.409 6.076 1.00 0.29 H new ATOM 0 HG2 LYS A 72 118.323 -2.461 6.982 1.00 1.18 H new ATOM 0 HG3 LYS A 72 117.750 -2.069 8.590 1.00 1.18 H new ATOM 0 HD2 LYS A 72 115.378 -2.182 7.772 1.00 1.29 H new ATOM 0 HD3 LYS A 72 115.952 -2.575 6.163 1.00 1.29 H new ATOM 0 HE2 LYS A 72 117.025 -4.647 7.008 1.00 2.11 H new ATOM 0 HE3 LYS A 72 116.586 -4.236 8.655 1.00 2.11 H new ATOM 0 HZ1 LYS A 72 115.001 -5.789 7.687 1.00 2.58 H new ATOM 0 HZ2 LYS A 72 114.237 -4.309 8.018 1.00 2.58 H new ATOM 0 HZ3 LYS A 72 114.662 -4.707 6.423 1.00 2.58 H new ATOM 1138 N GLN A 73 119.853 0.185 5.292 1.00 0.26 N ATOM 1139 CA GLN A 73 120.854 -0.275 4.293 1.00 0.25 C ATOM 1140 C GLN A 73 122.259 0.129 4.732 1.00 0.25 C ATOM 1141 O GLN A 73 123.205 -0.617 4.577 1.00 0.25 O ATOM 1142 CB GLN A 73 120.536 0.354 2.935 1.00 0.26 C ATOM 1143 CG GLN A 73 119.201 -0.196 2.419 1.00 0.29 C ATOM 1144 CD GLN A 73 119.339 -1.687 2.110 1.00 1.24 C ATOM 1145 OE1 GLN A 73 118.566 -2.492 2.591 1.00 2.12 O ATOM 1146 NE2 GLN A 73 120.297 -2.094 1.324 1.00 1.88 N ATOM 0 H GLN A 73 119.214 0.907 4.958 1.00 0.26 H new ATOM 0 HA GLN A 73 120.810 -1.361 4.214 1.00 0.25 H new ATOM 0 HB2 GLN A 73 120.484 1.439 3.028 1.00 0.26 H new ATOM 0 HB3 GLN A 73 121.332 0.133 2.224 1.00 0.26 H new ATOM 0 HG2 GLN A 73 118.421 -0.041 3.164 1.00 0.29 H new ATOM 0 HG3 GLN A 73 118.897 0.344 1.522 1.00 0.29 H new ATOM 0 HE21 GLN A 73 120.946 -1.419 0.920 1.00 1.88 H new ATOM 0 HE22 GLN A 73 120.397 -3.087 1.114 1.00 1.88 H new ATOM 1155 N SER A 74 122.405 1.303 5.279 1.00 0.26 N ATOM 1156 CA SER A 74 123.749 1.750 5.727 1.00 0.27 C ATOM 1157 C SER A 74 124.258 0.827 6.831 1.00 0.26 C ATOM 1158 O SER A 74 125.430 0.512 6.896 1.00 0.26 O ATOM 1159 CB SER A 74 123.668 3.174 6.270 1.00 0.30 C ATOM 1160 OG SER A 74 123.318 4.063 5.218 1.00 1.36 O ATOM 0 H SER A 74 121.650 1.971 5.434 1.00 0.26 H new ATOM 0 HA SER A 74 124.431 1.720 4.877 1.00 0.27 H new ATOM 0 HB2 SER A 74 122.928 3.229 7.068 1.00 0.30 H new ATOM 0 HB3 SER A 74 124.625 3.465 6.703 1.00 0.30 H new ATOM 0 HG SER A 74 122.364 3.970 5.015 1.00 1.36 H new ATOM 1166 N ARG A 75 123.392 0.398 7.714 1.00 0.27 N ATOM 1167 CA ARG A 75 123.823 -0.490 8.826 1.00 0.28 C ATOM 1168 C ARG A 75 124.418 -1.774 8.255 1.00 0.26 C ATOM 1169 O ARG A 75 125.384 -2.297 8.774 1.00 0.27 O ATOM 1170 CB ARG A 75 122.595 -0.847 9.670 1.00 0.30 C ATOM 1171 CG ARG A 75 122.066 0.393 10.409 1.00 0.33 C ATOM 1172 CD ARG A 75 122.885 0.659 11.678 1.00 0.61 C ATOM 1173 NE ARG A 75 122.219 1.725 12.476 1.00 1.34 N ATOM 1174 CZ ARG A 75 122.516 1.875 13.736 1.00 1.81 C ATOM 1175 NH1 ARG A 75 123.384 1.081 14.298 1.00 1.88 N ATOM 1176 NH2 ARG A 75 121.941 2.814 14.437 1.00 2.80 N ATOM 0 H ARG A 75 122.398 0.629 7.709 1.00 0.27 H new ATOM 0 HA ARG A 75 124.571 0.019 9.435 1.00 0.28 H new ATOM 0 HB2 ARG A 75 121.814 -1.256 9.030 1.00 0.30 H new ATOM 0 HB3 ARG A 75 122.855 -1.623 10.390 1.00 0.30 H new ATOM 0 HG2 ARG A 75 122.112 1.261 9.752 1.00 0.33 H new ATOM 0 HG3 ARG A 75 121.018 0.247 10.671 1.00 0.33 H new ATOM 0 HD2 ARG A 75 122.971 -0.254 12.268 1.00 0.61 H new ATOM 0 HD3 ARG A 75 123.898 0.964 11.414 1.00 0.61 H new ATOM 0 HE ARG A 75 121.531 2.337 12.037 1.00 1.34 H new ATOM 0 HH11 ARG A 75 123.829 0.344 13.752 1.00 1.88 H new ATOM 0 HH12 ARG A 75 123.618 1.197 15.284 1.00 1.88 H new ATOM 0 HH21 ARG A 75 121.258 3.432 13.999 1.00 2.80 H new ATOM 0 HH22 ARG A 75 122.175 2.930 15.423 1.00 2.80 H new ATOM 1190 N ASP A 76 123.844 -2.316 7.215 1.00 0.25 N ATOM 1191 CA ASP A 76 124.369 -3.586 6.649 1.00 0.24 C ATOM 1192 C ASP A 76 125.728 -3.363 5.989 1.00 0.23 C ATOM 1193 O ASP A 76 126.622 -4.173 6.121 1.00 0.23 O ATOM 1194 CB ASP A 76 123.381 -4.116 5.608 1.00 0.24 C ATOM 1195 CG ASP A 76 122.110 -4.605 6.306 1.00 0.25 C ATOM 1196 OD1 ASP A 76 122.188 -4.912 7.485 1.00 0.40 O ATOM 1197 OD2 ASP A 76 121.083 -4.664 5.653 1.00 0.39 O ATOM 0 H ASP A 76 123.032 -1.931 6.733 1.00 0.25 H new ATOM 0 HA ASP A 76 124.489 -4.308 7.457 1.00 0.24 H new ATOM 0 HB2 ASP A 76 123.136 -3.331 4.893 1.00 0.24 H new ATOM 0 HB3 ASP A 76 123.834 -4.931 5.044 1.00 0.24 H new ATOM 1202 N CYS A 77 125.914 -2.274 5.295 1.00 0.22 N ATOM 1203 CA CYS A 77 127.238 -2.036 4.661 1.00 0.22 C ATOM 1204 C CYS A 77 128.285 -1.735 5.734 1.00 0.22 C ATOM 1205 O CYS A 77 129.416 -2.168 5.637 1.00 0.21 O ATOM 1206 CB CYS A 77 127.142 -0.850 3.699 1.00 0.23 C ATOM 1207 SG CYS A 77 126.151 -1.320 2.260 1.00 0.24 S ATOM 0 H CYS A 77 125.215 -1.547 5.141 1.00 0.22 H new ATOM 0 HA CYS A 77 127.533 -2.930 4.111 1.00 0.22 H new ATOM 0 HB2 CYS A 77 126.690 0.005 4.202 1.00 0.23 H new ATOM 0 HB3 CYS A 77 128.139 -0.543 3.383 1.00 0.23 H new ATOM 0 HG CYS A 77 126.078 -2.616 2.188 1.00 0.24 H new ATOM 1213 N PHE A 78 127.942 -0.980 6.743 1.00 0.23 N ATOM 1214 CA PHE A 78 128.960 -0.652 7.778 1.00 0.25 C ATOM 1215 C PHE A 78 129.453 -1.933 8.453 1.00 0.24 C ATOM 1216 O PHE A 78 130.624 -2.253 8.417 1.00 0.23 O ATOM 1217 CB PHE A 78 128.339 0.282 8.820 1.00 0.29 C ATOM 1218 CG PHE A 78 129.365 0.619 9.873 1.00 0.32 C ATOM 1219 CD1 PHE A 78 130.216 1.715 9.692 1.00 0.36 C ATOM 1220 CD2 PHE A 78 129.463 -0.160 11.031 1.00 0.38 C ATOM 1221 CE1 PHE A 78 131.168 2.032 10.669 1.00 0.41 C ATOM 1222 CE2 PHE A 78 130.413 0.157 12.009 1.00 0.43 C ATOM 1223 CZ PHE A 78 131.266 1.252 11.828 1.00 0.43 C ATOM 0 H PHE A 78 127.015 -0.582 6.893 1.00 0.23 H new ATOM 0 HA PHE A 78 129.809 -0.157 7.306 1.00 0.25 H new ATOM 0 HB2 PHE A 78 127.983 1.194 8.340 1.00 0.29 H new ATOM 0 HB3 PHE A 78 127.474 -0.195 9.280 1.00 0.29 H new ATOM 0 HD1 PHE A 78 130.139 2.317 8.798 1.00 0.36 H new ATOM 0 HD2 PHE A 78 128.806 -1.006 11.170 1.00 0.38 H new ATOM 0 HE1 PHE A 78 131.826 2.877 10.529 1.00 0.41 H new ATOM 0 HE2 PHE A 78 130.488 -0.443 12.904 1.00 0.43 H new ATOM 0 HZ PHE A 78 132.000 1.495 12.582 1.00 0.43 H new ATOM 1233 N GLY A 79 128.571 -2.662 9.076 1.00 0.25 N ATOM 1234 CA GLY A 79 128.988 -3.916 9.766 1.00 0.26 C ATOM 1235 C GLY A 79 129.564 -4.914 8.757 1.00 0.24 C ATOM 1236 O GLY A 79 130.448 -5.683 9.067 1.00 0.24 O ATOM 0 H GLY A 79 127.577 -2.444 9.138 1.00 0.25 H new ATOM 0 HA2 GLY A 79 129.733 -3.689 10.528 1.00 0.26 H new ATOM 0 HA3 GLY A 79 128.133 -4.359 10.278 1.00 0.26 H new ATOM 1240 N CYS A 80 129.073 -4.908 7.552 1.00 0.22 N ATOM 1241 CA CYS A 80 129.603 -5.863 6.539 1.00 0.22 C ATOM 1242 C CYS A 80 131.042 -5.484 6.176 1.00 0.22 C ATOM 1243 O CYS A 80 131.934 -6.309 6.195 1.00 0.23 O ATOM 1244 CB CYS A 80 128.729 -5.814 5.286 1.00 0.22 C ATOM 1245 SG CYS A 80 129.443 -6.876 4.006 1.00 0.25 S ATOM 0 H CYS A 80 128.332 -4.288 7.224 1.00 0.22 H new ATOM 0 HA CYS A 80 129.590 -6.872 6.952 1.00 0.22 H new ATOM 0 HB2 CYS A 80 127.717 -6.143 5.523 1.00 0.22 H new ATOM 0 HB3 CYS A 80 128.654 -4.789 4.922 1.00 0.22 H new ATOM 0 HG CYS A 80 129.332 -6.295 2.848 1.00 0.25 H new ATOM 1251 N LEU A 81 131.277 -4.241 5.865 1.00 0.21 N ATOM 1252 CA LEU A 81 132.667 -3.824 5.524 1.00 0.21 C ATOM 1253 C LEU A 81 133.532 -3.861 6.788 1.00 0.22 C ATOM 1254 O LEU A 81 134.677 -4.265 6.755 1.00 0.22 O ATOM 1255 CB LEU A 81 132.642 -2.395 4.973 1.00 0.22 C ATOM 1256 CG LEU A 81 131.771 -2.328 3.705 1.00 0.24 C ATOM 1257 CD1 LEU A 81 131.326 -0.882 3.469 1.00 0.30 C ATOM 1258 CD2 LEU A 81 132.574 -2.793 2.484 1.00 0.28 C ATOM 0 H LEU A 81 130.576 -3.501 5.832 1.00 0.21 H new ATOM 0 HA LEU A 81 133.081 -4.501 4.777 1.00 0.21 H new ATOM 0 HB2 LEU A 81 132.251 -1.713 5.728 1.00 0.22 H new ATOM 0 HB3 LEU A 81 133.656 -2.068 4.744 1.00 0.22 H new ATOM 0 HG LEU A 81 130.905 -2.976 3.842 1.00 0.24 H new ATOM 0 HD11 LEU A 81 130.709 -0.833 2.572 1.00 0.30 H new ATOM 0 HD12 LEU A 81 130.748 -0.535 4.326 1.00 0.30 H new ATOM 0 HD13 LEU A 81 132.203 -0.248 3.342 1.00 0.30 H new ATOM 0 HD21 LEU A 81 131.946 -2.741 1.594 1.00 0.28 H new ATOM 0 HD22 LEU A 81 133.443 -2.149 2.353 1.00 0.28 H new ATOM 0 HD23 LEU A 81 132.904 -3.821 2.635 1.00 0.28 H new ATOM 1270 N ARG A 82 132.997 -3.436 7.904 1.00 0.22 N ATOM 1271 CA ARG A 82 133.802 -3.443 9.161 1.00 0.24 C ATOM 1272 C ARG A 82 134.198 -4.875 9.507 1.00 0.25 C ATOM 1273 O ARG A 82 135.303 -5.136 9.939 1.00 0.26 O ATOM 1274 CB ARG A 82 132.979 -2.866 10.313 1.00 0.28 C ATOM 1275 CG ARG A 82 133.843 -2.800 11.578 1.00 0.33 C ATOM 1276 CD ARG A 82 133.019 -2.224 12.725 1.00 0.84 C ATOM 1277 NE ARG A 82 131.889 -3.149 13.014 1.00 1.41 N ATOM 1278 CZ ARG A 82 131.209 -3.027 14.120 1.00 1.95 C ATOM 1279 NH1 ARG A 82 131.489 -2.065 14.955 1.00 2.25 N ATOM 1280 NH2 ARG A 82 130.243 -3.865 14.384 1.00 2.73 N ATOM 0 H ARG A 82 132.043 -3.087 7.999 1.00 0.22 H new ATOM 0 HA ARG A 82 134.695 -2.836 9.010 1.00 0.24 H new ATOM 0 HB2 ARG A 82 132.619 -1.870 10.054 1.00 0.28 H new ATOM 0 HB3 ARG A 82 132.100 -3.486 10.492 1.00 0.28 H new ATOM 0 HG2 ARG A 82 134.203 -3.795 11.838 1.00 0.33 H new ATOM 0 HG3 ARG A 82 134.722 -2.180 11.400 1.00 0.33 H new ATOM 0 HD2 ARG A 82 133.641 -2.099 13.611 1.00 0.84 H new ATOM 0 HD3 ARG A 82 132.641 -1.237 12.460 1.00 0.84 H new ATOM 0 HE ARG A 82 131.646 -3.880 12.345 1.00 1.41 H new ATOM 0 HH11 ARG A 82 132.240 -1.408 14.743 1.00 2.25 H new ATOM 0 HH12 ARG A 82 130.957 -1.970 15.820 1.00 2.25 H new ATOM 0 HH21 ARG A 82 130.022 -4.612 13.726 1.00 2.73 H new ATOM 0 HH22 ARG A 82 129.709 -3.772 15.248 1.00 2.73 H new ATOM 1294 N GLU A 83 133.303 -5.805 9.333 1.00 0.25 N ATOM 1295 CA GLU A 83 133.624 -7.216 9.665 1.00 0.28 C ATOM 1296 C GLU A 83 134.635 -7.774 8.663 1.00 0.27 C ATOM 1297 O GLU A 83 135.539 -8.495 9.037 1.00 0.29 O ATOM 1298 CB GLU A 83 132.339 -8.053 9.652 1.00 0.30 C ATOM 1299 CG GLU A 83 131.489 -7.704 10.880 1.00 0.33 C ATOM 1300 CD GLU A 83 132.165 -8.243 12.143 1.00 1.19 C ATOM 1301 OE1 GLU A 83 132.828 -9.263 12.046 1.00 1.91 O ATOM 1302 OE2 GLU A 83 132.009 -7.626 13.183 1.00 1.56 O ATOM 0 H GLU A 83 132.361 -5.647 8.974 1.00 0.25 H new ATOM 0 HA GLU A 83 134.065 -7.260 10.661 1.00 0.28 H new ATOM 0 HB2 GLU A 83 131.775 -7.859 8.739 1.00 0.30 H new ATOM 0 HB3 GLU A 83 132.584 -9.115 9.656 1.00 0.30 H new ATOM 0 HG2 GLU A 83 131.366 -6.624 10.954 1.00 0.33 H new ATOM 0 HG3 GLU A 83 130.492 -8.132 10.778 1.00 0.33 H new ATOM 1309 N TRP A 84 134.530 -7.441 7.401 1.00 0.25 N ATOM 1310 CA TRP A 84 135.532 -7.953 6.423 1.00 0.25 C ATOM 1311 C TRP A 84 136.912 -7.430 6.817 1.00 0.27 C ATOM 1312 O TRP A 84 137.885 -8.157 6.838 1.00 0.28 O ATOM 1313 CB TRP A 84 135.204 -7.463 5.013 1.00 0.25 C ATOM 1314 CG TRP A 84 136.179 -8.068 4.051 1.00 0.27 C ATOM 1315 CD1 TRP A 84 135.996 -9.246 3.412 1.00 0.30 C ATOM 1316 CD2 TRP A 84 137.485 -7.570 3.621 1.00 0.30 C ATOM 1317 NE1 TRP A 84 137.094 -9.500 2.613 1.00 0.33 N ATOM 1318 CE2 TRP A 84 138.040 -8.498 2.707 1.00 0.32 C ATOM 1319 CE3 TRP A 84 138.233 -6.416 3.928 1.00 0.31 C ATOM 1320 CZ2 TRP A 84 139.288 -8.291 2.119 1.00 0.36 C ATOM 1321 CZ3 TRP A 84 139.493 -6.206 3.337 1.00 0.35 C ATOM 1322 CH2 TRP A 84 140.017 -7.142 2.435 1.00 0.37 C ATOM 0 H TRP A 84 133.801 -6.843 7.011 1.00 0.25 H new ATOM 0 HA TRP A 84 135.514 -9.043 6.432 1.00 0.25 H new ATOM 0 HB2 TRP A 84 134.186 -7.743 4.744 1.00 0.25 H new ATOM 0 HB3 TRP A 84 135.257 -6.375 4.970 1.00 0.25 H new ATOM 0 HD1 TRP A 84 135.131 -9.885 3.511 1.00 0.30 H new ATOM 0 HE1 TRP A 84 137.194 -10.327 2.025 1.00 0.33 H new ATOM 0 HE3 TRP A 84 137.837 -5.688 4.621 1.00 0.31 H new ATOM 0 HZ2 TRP A 84 139.688 -9.014 1.424 1.00 0.36 H new ATOM 0 HZ3 TRP A 84 140.059 -5.319 3.580 1.00 0.35 H new ATOM 0 HH2 TRP A 84 140.984 -6.975 1.984 1.00 0.37 H new ATOM 1333 N CYS A 85 137.003 -6.159 7.112 1.00 0.27 N ATOM 1334 CA CYS A 85 138.321 -5.577 7.482 1.00 0.30 C ATOM 1335 C CYS A 85 138.861 -6.282 8.726 1.00 0.33 C ATOM 1336 O CYS A 85 140.036 -6.564 8.833 1.00 0.36 O ATOM 1337 CB CYS A 85 138.159 -4.080 7.768 1.00 0.33 C ATOM 1338 SG CYS A 85 137.996 -3.182 6.205 1.00 0.33 S ATOM 0 H CYS A 85 136.222 -5.503 7.112 1.00 0.27 H new ATOM 0 HA CYS A 85 139.021 -5.713 6.658 1.00 0.30 H new ATOM 0 HB2 CYS A 85 137.280 -3.911 8.390 1.00 0.33 H new ATOM 0 HB3 CYS A 85 139.020 -3.710 8.324 1.00 0.33 H new ATOM 0 HG CYS A 85 137.856 -1.912 6.447 1.00 0.33 H new ATOM 1344 N ASP A 86 138.008 -6.569 9.664 1.00 0.34 N ATOM 1345 CA ASP A 86 138.464 -7.256 10.901 1.00 0.39 C ATOM 1346 C ASP A 86 139.105 -8.597 10.532 1.00 0.41 C ATOM 1347 O ASP A 86 139.991 -9.080 11.208 1.00 0.43 O ATOM 1348 CB ASP A 86 137.263 -7.502 11.816 1.00 0.41 C ATOM 1349 CG ASP A 86 136.769 -6.169 12.382 1.00 0.42 C ATOM 1350 OD1 ASP A 86 137.553 -5.235 12.416 1.00 0.55 O ATOM 1351 OD2 ASP A 86 135.613 -6.104 12.766 1.00 0.51 O ATOM 0 H ASP A 86 137.011 -6.357 9.628 1.00 0.34 H new ATOM 0 HA ASP A 86 139.195 -6.633 11.416 1.00 0.39 H new ATOM 0 HB2 ASP A 86 136.463 -7.991 11.260 1.00 0.41 H new ATOM 0 HB3 ASP A 86 137.543 -8.172 12.628 1.00 0.41 H new ATOM 1356 N ALA A 87 138.648 -9.212 9.471 1.00 0.41 N ATOM 1357 CA ALA A 87 139.211 -10.535 9.066 1.00 0.43 C ATOM 1358 C ALA A 87 140.344 -10.363 8.042 1.00 0.43 C ATOM 1359 O ALA A 87 141.279 -11.140 8.017 1.00 0.48 O ATOM 1360 CB ALA A 87 138.097 -11.380 8.444 1.00 0.41 C ATOM 0 H ALA A 87 137.908 -8.854 8.867 1.00 0.41 H new ATOM 0 HA ALA A 87 139.617 -11.026 9.950 1.00 0.43 H new ATOM 0 HB1 ALA A 87 138.499 -12.348 8.145 1.00 0.41 H new ATOM 0 HB2 ALA A 87 137.301 -11.527 9.174 1.00 0.41 H new ATOM 0 HB3 ALA A 87 137.697 -10.867 7.569 1.00 0.41 H new ATOM 1366 N PHE A 88 140.249 -9.387 7.170 1.00 0.40 N ATOM 1367 CA PHE A 88 141.303 -9.204 6.108 1.00 0.44 C ATOM 1368 C PHE A 88 142.179 -7.966 6.349 1.00 0.54 C ATOM 1369 O PHE A 88 143.130 -7.747 5.625 1.00 1.24 O ATOM 1370 CB PHE A 88 140.614 -9.025 4.754 1.00 0.41 C ATOM 1371 CG PHE A 88 139.977 -10.316 4.303 1.00 0.39 C ATOM 1372 CD1 PHE A 88 138.655 -10.606 4.656 1.00 0.35 C ATOM 1373 CD2 PHE A 88 140.702 -11.211 3.505 1.00 0.44 C ATOM 1374 CE1 PHE A 88 138.057 -11.792 4.213 1.00 0.40 C ATOM 1375 CE2 PHE A 88 140.106 -12.398 3.066 1.00 0.47 C ATOM 1376 CZ PHE A 88 138.783 -12.688 3.419 1.00 0.45 C ATOM 0 H PHE A 88 139.489 -8.707 7.144 1.00 0.40 H new ATOM 0 HA PHE A 88 141.941 -10.087 6.134 1.00 0.44 H new ATOM 0 HB2 PHE A 88 139.855 -8.246 4.827 1.00 0.41 H new ATOM 0 HB3 PHE A 88 141.341 -8.694 4.012 1.00 0.41 H new ATOM 0 HD1 PHE A 88 138.096 -9.915 5.270 1.00 0.35 H new ATOM 0 HD2 PHE A 88 141.721 -10.984 3.229 1.00 0.44 H new ATOM 0 HE1 PHE A 88 137.036 -12.016 4.484 1.00 0.40 H new ATOM 0 HE2 PHE A 88 140.666 -13.090 2.455 1.00 0.47 H new ATOM 0 HZ PHE A 88 138.322 -13.603 3.079 1.00 0.45 H new ATOM 1454 N SER B 4 163.247 -2.335 1.456 1.00 0.63 N ATOM 1455 CA SER B 4 163.765 -2.784 2.782 1.00 0.62 C ATOM 1456 C SER B 4 162.917 -3.948 3.298 1.00 0.60 C ATOM 1457 O SER B 4 161.962 -4.366 2.675 1.00 0.58 O ATOM 1458 CB SER B 4 163.701 -1.625 3.777 1.00 0.63 C ATOM 1459 OG SER B 4 162.349 -1.409 4.159 1.00 1.50 O ATOM 0 HA SER B 4 164.799 -3.111 2.673 1.00 0.62 H new ATOM 0 HB2 SER B 4 164.308 -1.850 4.654 1.00 0.63 H new ATOM 0 HB3 SER B 4 164.113 -0.721 3.328 1.00 0.63 H new ATOM 0 HG SER B 4 162.304 -0.668 4.798 1.00 1.50 H new ATOM 1465 N GLN B 5 163.278 -4.483 4.435 1.00 0.63 N ATOM 1466 CA GLN B 5 162.521 -5.632 5.010 1.00 0.64 C ATOM 1467 C GLN B 5 161.070 -5.238 5.283 1.00 0.60 C ATOM 1468 O GLN B 5 160.204 -6.085 5.382 1.00 0.60 O ATOM 1469 CB GLN B 5 163.185 -6.090 6.309 1.00 0.71 C ATOM 1470 CG GLN B 5 164.522 -6.756 5.982 1.00 1.34 C ATOM 1471 CD GLN B 5 165.273 -7.070 7.277 1.00 1.59 C ATOM 1472 OE1 GLN B 5 165.012 -6.477 8.304 1.00 2.09 O ATOM 1473 NE2 GLN B 5 166.200 -7.988 7.269 1.00 2.18 N ATOM 0 H GLN B 5 164.072 -4.170 4.994 1.00 0.63 H new ATOM 0 HA GLN B 5 162.530 -6.450 4.289 1.00 0.64 H new ATOM 0 HB2 GLN B 5 163.341 -5.239 6.971 1.00 0.71 H new ATOM 0 HB3 GLN B 5 162.536 -6.789 6.836 1.00 0.71 H new ATOM 0 HG2 GLN B 5 164.354 -7.673 5.417 1.00 1.34 H new ATOM 0 HG3 GLN B 5 165.122 -6.099 5.353 1.00 1.34 H new ATOM 0 HE21 GLN B 5 166.418 -8.485 6.405 1.00 2.18 H new ATOM 0 HE22 GLN B 5 166.707 -8.209 8.126 1.00 2.18 H new ATOM 1482 N LYS B 6 160.782 -3.969 5.405 1.00 0.59 N ATOM 1483 CA LYS B 6 159.376 -3.560 5.667 1.00 0.57 C ATOM 1484 C LYS B 6 158.480 -4.040 4.524 1.00 0.51 C ATOM 1485 O LYS B 6 157.355 -4.443 4.741 1.00 0.50 O ATOM 1486 CB LYS B 6 159.276 -2.038 5.790 1.00 0.58 C ATOM 1487 CG LYS B 6 159.948 -1.586 7.087 1.00 0.66 C ATOM 1488 CD LYS B 6 159.825 -0.068 7.218 1.00 0.80 C ATOM 1489 CE LYS B 6 160.480 0.390 8.522 1.00 1.25 C ATOM 1490 NZ LYS B 6 160.393 1.874 8.624 1.00 2.01 N ATOM 0 H LYS B 6 161.455 -3.206 5.335 1.00 0.59 H new ATOM 0 HA LYS B 6 159.049 -4.011 6.604 1.00 0.57 H new ATOM 0 HB2 LYS B 6 159.755 -1.561 4.935 1.00 0.58 H new ATOM 0 HB3 LYS B 6 158.230 -1.730 5.783 1.00 0.58 H new ATOM 0 HG2 LYS B 6 159.481 -2.075 7.942 1.00 0.66 H new ATOM 0 HG3 LYS B 6 160.998 -1.879 7.087 1.00 0.66 H new ATOM 0 HD2 LYS B 6 160.303 0.420 6.368 1.00 0.80 H new ATOM 0 HD3 LYS B 6 158.775 0.224 7.205 1.00 0.80 H new ATOM 0 HE2 LYS B 6 159.983 -0.074 9.374 1.00 1.25 H new ATOM 0 HE3 LYS B 6 161.522 0.073 8.549 1.00 1.25 H new ATOM 0 HZ1 LYS B 6 160.838 2.188 9.510 1.00 2.01 H new ATOM 0 HZ2 LYS B 6 160.886 2.307 7.817 1.00 2.01 H new ATOM 0 HZ3 LYS B 6 159.394 2.165 8.616 1.00 2.01 H new ATOM 1504 N HIS B 7 158.953 -3.994 3.312 1.00 0.49 N ATOM 1505 CA HIS B 7 158.097 -4.442 2.178 1.00 0.45 C ATOM 1506 C HIS B 7 157.696 -5.908 2.355 1.00 0.45 C ATOM 1507 O HIS B 7 156.531 -6.251 2.291 1.00 0.43 O ATOM 1508 CB HIS B 7 158.863 -4.272 0.864 1.00 0.45 C ATOM 1509 CG HIS B 7 158.083 -4.886 -0.271 1.00 0.42 C ATOM 1510 ND1 HIS B 7 157.359 -4.122 -1.175 1.00 0.39 N ATOM 1511 CD2 HIS B 7 157.906 -6.192 -0.656 1.00 0.45 C ATOM 1512 CE1 HIS B 7 156.786 -4.969 -2.054 1.00 0.38 C ATOM 1513 NE2 HIS B 7 157.089 -6.238 -1.779 1.00 0.42 N ATOM 0 H HIS B 7 159.886 -3.669 3.057 1.00 0.49 H new ATOM 0 HA HIS B 7 157.192 -3.834 2.158 1.00 0.45 H new ATOM 0 HB2 HIS B 7 159.034 -3.214 0.668 1.00 0.45 H new ATOM 0 HB3 HIS B 7 159.842 -4.745 0.941 1.00 0.45 H new ATOM 0 HD2 HIS B 7 158.336 -7.051 -0.162 1.00 0.45 H new ATOM 0 HE1 HIS B 7 156.160 -4.658 -2.878 1.00 0.38 H new ATOM 0 HE2 HIS B 7 156.785 -7.069 -2.287 1.00 0.42 H new ATOM 1521 N ARG B 8 158.647 -6.784 2.579 1.00 0.48 N ATOM 1522 CA ARG B 8 158.328 -8.228 2.759 1.00 0.50 C ATOM 1523 C ARG B 8 157.601 -8.437 4.084 1.00 0.51 C ATOM 1524 O ARG B 8 156.710 -9.254 4.195 1.00 0.51 O ATOM 1525 CB ARG B 8 159.633 -9.029 2.777 1.00 0.55 C ATOM 1526 CG ARG B 8 160.263 -9.039 1.383 1.00 0.57 C ATOM 1527 CD ARG B 8 161.596 -9.790 1.445 1.00 1.00 C ATOM 1528 NE ARG B 8 162.340 -9.614 0.153 1.00 1.70 N ATOM 1529 CZ ARG B 8 161.829 -9.990 -0.987 1.00 2.29 C ATOM 1530 NH1 ARG B 8 160.729 -10.688 -1.021 1.00 2.43 N ATOM 1531 NH2 ARG B 8 162.450 -9.709 -2.100 1.00 3.23 N ATOM 0 H ARG B 8 159.638 -6.553 2.645 1.00 0.48 H new ATOM 0 HA ARG B 8 157.691 -8.562 1.940 1.00 0.50 H new ATOM 0 HB2 ARG B 8 160.327 -8.592 3.495 1.00 0.55 H new ATOM 0 HB3 ARG B 8 159.437 -10.050 3.104 1.00 0.55 H new ATOM 0 HG2 ARG B 8 159.593 -9.519 0.670 1.00 0.57 H new ATOM 0 HG3 ARG B 8 160.421 -8.019 1.034 1.00 0.57 H new ATOM 0 HD2 ARG B 8 162.196 -9.416 2.275 1.00 1.00 H new ATOM 0 HD3 ARG B 8 161.419 -10.849 1.632 1.00 1.00 H new ATOM 0 HE ARG B 8 163.268 -9.190 0.167 1.00 1.70 H new ATOM 0 HH11 ARG B 8 160.261 -10.944 -0.152 1.00 2.43 H new ATOM 0 HH12 ARG B 8 160.336 -10.978 -1.917 1.00 2.43 H new ATOM 0 HH21 ARG B 8 163.332 -9.197 -2.077 1.00 3.23 H new ATOM 0 HH22 ARG B 8 162.053 -10.001 -2.993 1.00 3.23 H new ATOM 1545 N ASP B 9 157.973 -7.700 5.090 1.00 0.52 N ATOM 1546 CA ASP B 9 157.305 -7.847 6.408 1.00 0.54 C ATOM 1547 C ASP B 9 155.881 -7.300 6.330 1.00 0.49 C ATOM 1548 O ASP B 9 154.961 -7.848 6.901 1.00 0.48 O ATOM 1549 CB ASP B 9 158.089 -7.088 7.477 1.00 0.61 C ATOM 1550 CG ASP B 9 159.415 -7.801 7.745 1.00 0.68 C ATOM 1551 OD1 ASP B 9 159.546 -8.941 7.328 1.00 0.67 O ATOM 1552 OD2 ASP B 9 160.276 -7.198 8.364 1.00 0.76 O ATOM 0 H ASP B 9 158.714 -7.000 5.055 1.00 0.52 H new ATOM 0 HA ASP B 9 157.271 -8.904 6.673 1.00 0.54 H new ATOM 0 HB2 ASP B 9 158.274 -6.065 7.149 1.00 0.61 H new ATOM 0 HB3 ASP B 9 157.505 -7.027 8.396 1.00 0.61 H new ATOM 1557 N PHE B 10 155.698 -6.204 5.644 1.00 0.46 N ATOM 1558 CA PHE B 10 154.335 -5.612 5.558 1.00 0.43 C ATOM 1559 C PHE B 10 153.396 -6.569 4.819 1.00 0.37 C ATOM 1560 O PHE B 10 152.258 -6.752 5.204 1.00 0.36 O ATOM 1561 CB PHE B 10 154.403 -4.278 4.811 1.00 0.45 C ATOM 1562 CG PHE B 10 153.050 -3.612 4.860 1.00 0.43 C ATOM 1563 CD1 PHE B 10 152.712 -2.808 5.954 1.00 0.44 C ATOM 1564 CD2 PHE B 10 152.137 -3.798 3.816 1.00 0.43 C ATOM 1565 CE1 PHE B 10 151.459 -2.189 6.006 1.00 0.44 C ATOM 1566 CE2 PHE B 10 150.883 -3.177 3.867 1.00 0.43 C ATOM 1567 CZ PHE B 10 150.544 -2.373 4.962 1.00 0.43 C ATOM 0 H PHE B 10 156.428 -5.697 5.143 1.00 0.46 H new ATOM 0 HA PHE B 10 153.953 -5.445 6.565 1.00 0.43 H new ATOM 0 HB2 PHE B 10 155.156 -3.632 5.263 1.00 0.45 H new ATOM 0 HB3 PHE B 10 154.704 -4.442 3.776 1.00 0.45 H new ATOM 0 HD1 PHE B 10 153.419 -2.665 6.758 1.00 0.44 H new ATOM 0 HD2 PHE B 10 152.399 -4.419 2.972 1.00 0.43 H new ATOM 0 HE1 PHE B 10 151.197 -1.569 6.851 1.00 0.44 H new ATOM 0 HE2 PHE B 10 150.177 -3.318 3.062 1.00 0.43 H new ATOM 0 HZ PHE B 10 149.577 -1.895 5.001 1.00 0.43 H new ATOM 1577 N VAL B 11 153.859 -7.187 3.766 1.00 0.37 N ATOM 1578 CA VAL B 11 152.985 -8.134 3.012 1.00 0.35 C ATOM 1579 C VAL B 11 153.029 -9.519 3.669 1.00 0.36 C ATOM 1580 O VAL B 11 152.637 -10.504 3.075 1.00 0.37 O ATOM 1581 CB VAL B 11 153.475 -8.240 1.563 1.00 0.37 C ATOM 1582 CG1 VAL B 11 153.611 -6.837 0.964 1.00 0.44 C ATOM 1583 CG2 VAL B 11 154.836 -8.944 1.534 1.00 0.40 C ATOM 0 H VAL B 11 154.803 -7.078 3.395 1.00 0.37 H new ATOM 0 HA VAL B 11 151.960 -7.763 3.025 1.00 0.35 H new ATOM 0 HB VAL B 11 152.757 -8.815 0.978 1.00 0.37 H new ATOM 0 HG11 VAL B 11 153.959 -6.913 -0.066 1.00 0.44 H new ATOM 0 HG12 VAL B 11 152.642 -6.338 0.983 1.00 0.44 H new ATOM 0 HG13 VAL B 11 154.328 -6.260 1.548 1.00 0.44 H new ATOM 0 HG21 VAL B 11 155.185 -9.020 0.504 1.00 0.40 H new ATOM 0 HG22 VAL B 11 155.555 -8.371 2.119 1.00 0.40 H new ATOM 0 HG23 VAL B 11 154.738 -9.943 1.958 1.00 0.40 H new ATOM 1593 N ALA B 12 153.510 -9.600 4.889 1.00 0.41 N ATOM 1594 CA ALA B 12 153.594 -10.922 5.597 1.00 0.47 C ATOM 1595 C ALA B 12 152.706 -10.916 6.843 1.00 0.45 C ATOM 1596 O ALA B 12 152.486 -11.939 7.460 1.00 0.48 O ATOM 1597 CB ALA B 12 155.043 -11.177 6.014 1.00 0.53 C ATOM 0 H ALA B 12 153.850 -8.804 5.428 1.00 0.41 H new ATOM 0 HA ALA B 12 153.253 -11.708 4.923 1.00 0.47 H new ATOM 0 HB1 ALA B 12 155.110 -12.136 6.529 1.00 0.53 H new ATOM 0 HB2 ALA B 12 155.679 -11.195 5.129 1.00 0.53 H new ATOM 0 HB3 ALA B 12 155.374 -10.382 6.682 1.00 0.53 H new ATOM 1603 N GLU B 13 152.187 -9.778 7.223 1.00 0.42 N ATOM 1604 CA GLU B 13 151.309 -9.727 8.433 1.00 0.43 C ATOM 1605 C GLU B 13 150.278 -8.602 8.262 1.00 0.39 C ATOM 1606 O GLU B 13 150.560 -7.602 7.634 1.00 0.36 O ATOM 1607 CB GLU B 13 152.165 -9.440 9.670 1.00 0.46 C ATOM 1608 CG GLU B 13 152.807 -8.057 9.538 1.00 0.48 C ATOM 1609 CD GLU B 13 153.933 -7.914 10.566 1.00 0.62 C ATOM 1610 OE1 GLU B 13 154.992 -8.473 10.335 1.00 1.27 O ATOM 1611 OE2 GLU B 13 153.715 -7.248 11.565 1.00 1.04 O ATOM 0 H GLU B 13 152.331 -8.885 6.752 1.00 0.42 H new ATOM 0 HA GLU B 13 150.798 -10.682 8.554 1.00 0.43 H new ATOM 0 HB2 GLU B 13 151.550 -9.483 10.569 1.00 0.46 H new ATOM 0 HB3 GLU B 13 152.937 -10.202 9.776 1.00 0.46 H new ATOM 0 HG2 GLU B 13 153.201 -7.922 8.531 1.00 0.48 H new ATOM 0 HG3 GLU B 13 152.058 -7.281 9.694 1.00 0.48 H new ATOM 1618 N PRO B 14 149.096 -8.739 8.824 1.00 0.42 N ATOM 1619 CA PRO B 14 148.051 -7.683 8.721 1.00 0.40 C ATOM 1620 C PRO B 14 148.646 -6.280 8.877 1.00 0.36 C ATOM 1621 O PRO B 14 149.767 -6.118 9.316 1.00 0.36 O ATOM 1622 CB PRO B 14 147.108 -8.004 9.885 1.00 0.45 C ATOM 1623 CG PRO B 14 147.200 -9.488 10.056 1.00 0.49 C ATOM 1624 CD PRO B 14 148.615 -9.895 9.609 1.00 0.48 C ATOM 0 HA PRO B 14 147.556 -7.680 7.750 1.00 0.40 H new ATOM 0 HB2 PRO B 14 147.409 -7.482 10.793 1.00 0.45 H new ATOM 0 HB3 PRO B 14 146.087 -7.694 9.663 1.00 0.45 H new ATOM 0 HG2 PRO B 14 147.026 -9.770 11.094 1.00 0.49 H new ATOM 0 HG3 PRO B 14 146.444 -9.995 9.457 1.00 0.49 H new ATOM 0 HD2 PRO B 14 149.261 -10.092 10.464 1.00 0.48 H new ATOM 0 HD3 PRO B 14 148.596 -10.804 9.008 1.00 0.48 H new ATOM 1632 N MET B 15 147.898 -5.267 8.538 1.00 0.35 N ATOM 1633 CA MET B 15 148.412 -3.873 8.682 1.00 0.34 C ATOM 1634 C MET B 15 147.978 -3.329 10.042 1.00 0.35 C ATOM 1635 O MET B 15 148.592 -2.437 10.595 1.00 0.37 O ATOM 1636 CB MET B 15 147.813 -2.994 7.577 1.00 0.36 C ATOM 1637 CG MET B 15 146.314 -3.293 7.441 1.00 0.40 C ATOM 1638 SD MET B 15 145.469 -1.878 6.688 1.00 0.56 S ATOM 1639 CE MET B 15 146.590 -1.632 5.291 1.00 0.42 C ATOM 0 H MET B 15 146.951 -5.343 8.167 1.00 0.35 H new ATOM 0 HA MET B 15 149.499 -3.868 8.604 1.00 0.34 H new ATOM 0 HB2 MET B 15 147.965 -1.941 7.813 1.00 0.36 H new ATOM 0 HB3 MET B 15 148.320 -3.185 6.631 1.00 0.36 H new ATOM 0 HG2 MET B 15 146.166 -4.183 6.830 1.00 0.40 H new ATOM 0 HG3 MET B 15 145.886 -3.504 8.421 1.00 0.40 H new ATOM 0 HE1 MET B 15 146.137 -0.942 4.578 1.00 0.42 H new ATOM 0 HE2 MET B 15 147.532 -1.217 5.649 1.00 0.42 H new ATOM 0 HE3 MET B 15 146.777 -2.588 4.802 1.00 0.42 H new ATOM 1649 N GLY B 16 146.914 -3.863 10.580 1.00 0.36 N ATOM 1650 CA GLY B 16 146.420 -3.383 11.902 1.00 0.39 C ATOM 1651 C GLY B 16 146.326 -1.858 11.875 1.00 0.38 C ATOM 1652 O GLY B 16 145.921 -1.272 10.891 1.00 0.37 O ATOM 0 H GLY B 16 146.365 -4.613 10.159 1.00 0.36 H new ATOM 0 HA2 GLY B 16 145.444 -3.816 12.119 1.00 0.39 H new ATOM 0 HA3 GLY B 16 147.095 -3.704 12.695 1.00 0.39 H new ATOM 1656 N GLU B 17 146.689 -1.213 12.954 1.00 0.40 N ATOM 1657 CA GLU B 17 146.617 0.283 13.020 1.00 0.41 C ATOM 1658 C GLU B 17 148.033 0.862 13.020 1.00 0.38 C ATOM 1659 O GLU B 17 148.286 1.905 13.589 1.00 0.39 O ATOM 1660 CB GLU B 17 145.894 0.694 14.304 1.00 0.46 C ATOM 1661 CG GLU B 17 144.412 0.327 14.191 1.00 0.50 C ATOM 1662 CD GLU B 17 143.685 0.725 15.477 1.00 0.55 C ATOM 1663 OE1 GLU B 17 143.759 -0.030 16.433 1.00 0.73 O ATOM 1664 OE2 GLU B 17 143.067 1.777 15.485 1.00 0.84 O ATOM 0 H GLU B 17 147.036 -1.661 13.802 1.00 0.40 H new ATOM 0 HA GLU B 17 146.073 0.664 12.156 1.00 0.41 H new ATOM 0 HB2 GLU B 17 146.340 0.192 15.163 1.00 0.46 H new ATOM 0 HB3 GLU B 17 146.003 1.766 14.469 1.00 0.46 H new ATOM 0 HG2 GLU B 17 143.965 0.835 13.337 1.00 0.50 H new ATOM 0 HG3 GLU B 17 144.304 -0.744 14.017 1.00 0.50 H new ATOM 1671 N LYS B 18 148.961 0.191 12.394 1.00 0.36 N ATOM 1672 CA LYS B 18 150.362 0.697 12.368 1.00 0.35 C ATOM 1673 C LYS B 18 150.379 2.078 11.693 1.00 0.31 C ATOM 1674 O LYS B 18 149.557 2.360 10.845 1.00 0.30 O ATOM 1675 CB LYS B 18 151.228 -0.281 11.570 1.00 0.35 C ATOM 1676 CG LYS B 18 151.370 -1.588 12.354 1.00 0.45 C ATOM 1677 CD LYS B 18 152.288 -2.545 11.592 1.00 1.16 C ATOM 1678 CE LYS B 18 152.220 -3.933 12.233 1.00 1.44 C ATOM 1679 NZ LYS B 18 153.246 -4.818 11.615 1.00 2.02 N ATOM 0 H LYS B 18 148.809 -0.687 11.899 1.00 0.36 H new ATOM 0 HA LYS B 18 150.753 0.783 13.382 1.00 0.35 H new ATOM 0 HB2 LYS B 18 150.776 -0.474 10.597 1.00 0.35 H new ATOM 0 HB3 LYS B 18 152.210 0.153 11.384 1.00 0.35 H new ATOM 0 HG2 LYS B 18 151.778 -1.387 13.344 1.00 0.45 H new ATOM 0 HG3 LYS B 18 150.391 -2.045 12.499 1.00 0.45 H new ATOM 0 HD2 LYS B 18 151.986 -2.600 10.546 1.00 1.16 H new ATOM 0 HD3 LYS B 18 153.313 -2.174 11.609 1.00 1.16 H new ATOM 0 HE2 LYS B 18 152.389 -3.858 13.307 1.00 1.44 H new ATOM 0 HE3 LYS B 18 151.226 -4.360 12.096 1.00 1.44 H new ATOM 0 HZ1 LYS B 18 153.070 -5.803 11.897 1.00 2.02 H new ATOM 0 HZ2 LYS B 18 153.193 -4.740 10.579 1.00 2.02 H new ATOM 0 HZ3 LYS B 18 154.192 -4.529 11.936 1.00 2.02 H new ATOM 1693 N PRO B 19 151.294 2.945 12.075 1.00 0.31 N ATOM 1694 CA PRO B 19 151.378 4.322 11.497 1.00 0.29 C ATOM 1695 C PRO B 19 151.619 4.307 9.982 1.00 0.25 C ATOM 1696 O PRO B 19 152.161 3.370 9.432 1.00 0.23 O ATOM 1697 CB PRO B 19 152.557 4.978 12.248 1.00 0.32 C ATOM 1698 CG PRO B 19 153.344 3.841 12.824 1.00 0.32 C ATOM 1699 CD PRO B 19 152.340 2.720 13.088 1.00 0.34 C ATOM 0 HA PRO B 19 150.443 4.869 11.621 1.00 0.29 H new ATOM 0 HB2 PRO B 19 153.168 5.577 11.573 1.00 0.32 H new ATOM 0 HB3 PRO B 19 152.200 5.646 13.032 1.00 0.32 H new ATOM 0 HG2 PRO B 19 154.120 3.514 12.132 1.00 0.32 H new ATOM 0 HG3 PRO B 19 153.844 4.141 13.745 1.00 0.32 H new ATOM 0 HD2 PRO B 19 152.799 1.737 12.979 1.00 0.34 H new ATOM 0 HD3 PRO B 19 151.937 2.773 14.099 1.00 0.34 H new ATOM 1707 N VAL B 20 151.202 5.346 9.310 1.00 0.24 N ATOM 1708 CA VAL B 20 151.380 5.412 7.834 1.00 0.22 C ATOM 1709 C VAL B 20 152.859 5.279 7.465 1.00 0.21 C ATOM 1710 O VAL B 20 153.222 4.581 6.539 1.00 0.22 O ATOM 1711 CB VAL B 20 150.837 6.747 7.325 1.00 0.26 C ATOM 1712 CG1 VAL B 20 151.663 7.898 7.899 1.00 0.32 C ATOM 1713 CG2 VAL B 20 150.913 6.780 5.798 1.00 0.28 C ATOM 0 H VAL B 20 150.743 6.157 9.725 1.00 0.24 H new ATOM 0 HA VAL B 20 150.835 4.589 7.371 1.00 0.22 H new ATOM 0 HB VAL B 20 149.800 6.855 7.643 1.00 0.26 H new ATOM 0 HG11 VAL B 20 151.270 8.846 7.532 1.00 0.32 H new ATOM 0 HG12 VAL B 20 151.607 7.879 8.987 1.00 0.32 H new ATOM 0 HG13 VAL B 20 152.702 7.791 7.588 1.00 0.32 H new ATOM 0 HG21 VAL B 20 150.526 7.732 5.435 1.00 0.28 H new ATOM 0 HG22 VAL B 20 151.950 6.666 5.483 1.00 0.28 H new ATOM 0 HG23 VAL B 20 150.317 5.965 5.386 1.00 0.28 H new ATOM 1723 N GLY B 21 153.714 5.960 8.180 1.00 0.22 N ATOM 1724 CA GLY B 21 155.171 5.897 7.874 1.00 0.21 C ATOM 1725 C GLY B 21 155.646 4.443 7.873 1.00 0.19 C ATOM 1726 O GLY B 21 156.793 4.163 7.589 1.00 0.19 O ATOM 0 H GLY B 21 153.464 6.560 8.966 1.00 0.22 H new ATOM 0 HA2 GLY B 21 155.367 6.352 6.903 1.00 0.21 H new ATOM 0 HA3 GLY B 21 155.731 6.470 8.613 1.00 0.21 H new ATOM 1730 N SER B 22 154.783 3.508 8.174 1.00 0.20 N ATOM 1731 CA SER B 22 155.204 2.079 8.170 1.00 0.20 C ATOM 1732 C SER B 22 155.143 1.543 6.740 1.00 0.19 C ATOM 1733 O SER B 22 155.803 0.582 6.397 1.00 0.20 O ATOM 1734 CB SER B 22 154.252 1.268 9.052 1.00 0.23 C ATOM 1735 OG SER B 22 154.610 -0.107 8.991 1.00 1.24 O ATOM 0 H SER B 22 153.807 3.673 8.422 1.00 0.20 H new ATOM 0 HA SER B 22 156.221 1.994 8.554 1.00 0.20 H new ATOM 0 HB2 SER B 22 154.301 1.623 10.081 1.00 0.23 H new ATOM 0 HB3 SER B 22 153.224 1.403 8.717 1.00 0.23 H new ATOM 0 HG SER B 22 154.003 -0.629 9.556 1.00 1.24 H new ATOM 1741 N LEU B 23 154.349 2.154 5.901 1.00 0.18 N ATOM 1742 CA LEU B 23 154.240 1.674 4.495 1.00 0.18 C ATOM 1743 C LEU B 23 155.587 1.822 3.790 1.00 0.18 C ATOM 1744 O LEU B 23 156.266 2.823 3.908 1.00 0.18 O ATOM 1745 CB LEU B 23 153.187 2.498 3.750 1.00 0.19 C ATOM 1746 CG LEU B 23 151.814 2.328 4.415 1.00 0.21 C ATOM 1747 CD1 LEU B 23 150.793 3.202 3.683 1.00 0.23 C ATOM 1748 CD2 LEU B 23 151.374 0.851 4.352 1.00 0.24 C ATOM 0 H LEU B 23 153.772 2.964 6.129 1.00 0.18 H new ATOM 0 HA LEU B 23 153.947 0.624 4.500 1.00 0.18 H new ATOM 0 HB2 LEU B 23 153.471 3.550 3.750 1.00 0.19 H new ATOM 0 HB3 LEU B 23 153.137 2.181 2.708 1.00 0.19 H new ATOM 0 HG LEU B 23 151.878 2.631 5.460 1.00 0.21 H new ATOM 0 HD11 LEU B 23 149.815 3.087 4.149 1.00 0.23 H new ATOM 0 HD12 LEU B 23 151.101 4.246 3.739 1.00 0.23 H new ATOM 0 HD13 LEU B 23 150.735 2.896 2.638 1.00 0.23 H new ATOM 0 HD21 LEU B 23 150.399 0.741 4.826 1.00 0.24 H new ATOM 0 HD22 LEU B 23 151.309 0.535 3.311 1.00 0.24 H new ATOM 0 HD23 LEU B 23 152.103 0.232 4.874 1.00 0.24 H new ATOM 1760 N ALA B 24 155.967 0.820 3.055 1.00 0.18 N ATOM 1761 CA ALA B 24 157.265 0.879 2.331 1.00 0.19 C ATOM 1762 C ALA B 24 157.216 1.965 1.251 1.00 0.19 C ATOM 1763 O ALA B 24 156.267 2.080 0.502 1.00 0.20 O ATOM 1764 CB ALA B 24 157.544 -0.476 1.678 1.00 0.21 C ATOM 0 H ALA B 24 155.435 -0.040 2.923 1.00 0.18 H new ATOM 0 HA ALA B 24 158.058 1.117 3.039 1.00 0.19 H new ATOM 0 HB1 ALA B 24 158.495 -0.435 1.147 1.00 0.21 H new ATOM 0 HB2 ALA B 24 157.591 -1.248 2.447 1.00 0.21 H new ATOM 0 HB3 ALA B 24 156.745 -0.712 0.975 1.00 0.21 H new ATOM 1770 N GLY B 25 158.248 2.763 1.182 1.00 0.20 N ATOM 1771 CA GLY B 25 158.298 3.861 0.165 1.00 0.21 C ATOM 1772 C GLY B 25 157.918 5.184 0.831 1.00 0.20 C ATOM 1773 O GLY B 25 158.241 6.250 0.344 1.00 0.22 O ATOM 0 H GLY B 25 159.065 2.703 1.789 1.00 0.20 H new ATOM 0 HA2 GLY B 25 159.298 3.930 -0.263 1.00 0.21 H new ATOM 0 HA3 GLY B 25 157.614 3.644 -0.655 1.00 0.21 H new ATOM 1777 N ILE B 26 157.245 5.125 1.950 1.00 0.20 N ATOM 1778 CA ILE B 26 156.852 6.378 2.666 1.00 0.21 C ATOM 1779 C ILE B 26 157.846 6.605 3.800 1.00 0.23 C ATOM 1780 O ILE B 26 157.903 5.837 4.740 1.00 0.25 O ATOM 1781 CB ILE B 26 155.445 6.216 3.250 1.00 0.22 C ATOM 1782 CG1 ILE B 26 154.456 5.845 2.133 1.00 0.22 C ATOM 1783 CG2 ILE B 26 155.009 7.526 3.915 1.00 0.24 C ATOM 1784 CD1 ILE B 26 154.520 6.867 0.991 1.00 0.24 C ATOM 0 H ILE B 26 156.949 4.260 2.402 1.00 0.20 H new ATOM 0 HA ILE B 26 156.856 7.224 1.978 1.00 0.21 H new ATOM 0 HB ILE B 26 155.455 5.421 3.995 1.00 0.22 H new ATOM 0 HG12 ILE B 26 154.687 4.851 1.751 1.00 0.22 H new ATOM 0 HG13 ILE B 26 153.444 5.805 2.535 1.00 0.22 H new ATOM 0 HG21 ILE B 26 154.008 7.408 4.330 1.00 0.24 H new ATOM 0 HG22 ILE B 26 155.706 7.777 4.715 1.00 0.24 H new ATOM 0 HG23 ILE B 26 155.003 8.326 3.174 1.00 0.24 H new ATOM 0 HD11 ILE B 26 153.812 6.586 0.211 1.00 0.24 H new ATOM 0 HD12 ILE B 26 154.265 7.856 1.373 1.00 0.24 H new ATOM 0 HD13 ILE B 26 155.528 6.887 0.577 1.00 0.24 H new ATOM 1796 N GLY B 27 158.631 7.647 3.739 1.00 0.24 N ATOM 1797 CA GLY B 27 159.609 7.903 4.833 1.00 0.27 C ATOM 1798 C GLY B 27 158.975 8.826 5.869 1.00 0.28 C ATOM 1799 O GLY B 27 157.847 9.257 5.726 1.00 0.27 O ATOM 0 H GLY B 27 158.637 8.330 2.981 1.00 0.24 H new ATOM 0 HA2 GLY B 27 159.905 6.963 5.299 1.00 0.27 H new ATOM 0 HA3 GLY B 27 160.514 8.358 4.429 1.00 0.27 H new ATOM 1803 N GLU B 28 159.685 9.126 6.915 1.00 0.30 N ATOM 1804 CA GLU B 28 159.111 10.014 7.961 1.00 0.32 C ATOM 1805 C GLU B 28 158.698 11.341 7.324 1.00 0.32 C ATOM 1806 O GLU B 28 157.676 11.906 7.659 1.00 0.35 O ATOM 1807 CB GLU B 28 160.156 10.266 9.052 1.00 0.36 C ATOM 1808 CG GLU B 28 160.428 8.971 9.825 1.00 0.39 C ATOM 1809 CD GLU B 28 159.173 8.550 10.594 1.00 1.27 C ATOM 1810 OE1 GLU B 28 158.668 9.360 11.353 1.00 2.00 O ATOM 1811 OE2 GLU B 28 158.741 7.424 10.412 1.00 1.64 O ATOM 0 H GLU B 28 160.634 8.797 7.092 1.00 0.30 H new ATOM 0 HA GLU B 28 158.238 9.538 8.407 1.00 0.32 H new ATOM 0 HB2 GLU B 28 161.080 10.633 8.605 1.00 0.36 H new ATOM 0 HB3 GLU B 28 159.803 11.039 9.734 1.00 0.36 H new ATOM 0 HG2 GLU B 28 160.725 8.181 9.135 1.00 0.39 H new ATOM 0 HG3 GLU B 28 161.257 9.118 10.517 1.00 0.39 H new ATOM 1818 N VAL B 29 159.484 11.847 6.414 1.00 0.31 N ATOM 1819 CA VAL B 29 159.130 13.141 5.765 1.00 0.33 C ATOM 1820 C VAL B 29 157.862 12.968 4.926 1.00 0.33 C ATOM 1821 O VAL B 29 156.939 13.754 5.010 1.00 0.35 O ATOM 1822 CB VAL B 29 160.280 13.588 4.861 1.00 0.34 C ATOM 1823 CG1 VAL B 29 159.873 14.849 4.094 1.00 0.38 C ATOM 1824 CG2 VAL B 29 161.517 13.882 5.716 1.00 0.35 C ATOM 0 H VAL B 29 160.354 11.422 6.092 1.00 0.31 H new ATOM 0 HA VAL B 29 158.954 13.894 6.534 1.00 0.33 H new ATOM 0 HB VAL B 29 160.511 12.795 4.150 1.00 0.34 H new ATOM 0 HG11 VAL B 29 160.695 15.165 3.451 1.00 0.38 H new ATOM 0 HG12 VAL B 29 158.995 14.636 3.483 1.00 0.38 H new ATOM 0 HG13 VAL B 29 159.639 15.645 4.801 1.00 0.38 H new ATOM 0 HG21 VAL B 29 162.337 14.201 5.072 1.00 0.35 H new ATOM 0 HG22 VAL B 29 161.287 14.674 6.429 1.00 0.35 H new ATOM 0 HG23 VAL B 29 161.809 12.981 6.256 1.00 0.35 H new ATOM 1834 N LEU B 30 157.810 11.950 4.111 1.00 0.32 N ATOM 1835 CA LEU B 30 156.605 11.732 3.262 1.00 0.33 C ATOM 1836 C LEU B 30 155.423 11.358 4.149 1.00 0.32 C ATOM 1837 O LEU B 30 154.308 11.792 3.937 1.00 0.33 O ATOM 1838 CB LEU B 30 156.870 10.591 2.277 1.00 0.33 C ATOM 1839 CG LEU B 30 158.057 10.939 1.370 1.00 0.35 C ATOM 1840 CD1 LEU B 30 158.431 9.704 0.545 1.00 0.36 C ATOM 1841 CD2 LEU B 30 157.688 12.096 0.425 1.00 0.40 C ATOM 0 H LEU B 30 158.551 11.259 3.996 1.00 0.32 H new ATOM 0 HA LEU B 30 156.382 12.646 2.712 1.00 0.33 H new ATOM 0 HB2 LEU B 30 157.078 9.671 2.823 1.00 0.33 H new ATOM 0 HB3 LEU B 30 155.982 10.409 1.672 1.00 0.33 H new ATOM 0 HG LEU B 30 158.901 11.248 1.986 1.00 0.35 H new ATOM 0 HD11 LEU B 30 159.274 9.941 -0.103 1.00 0.36 H new ATOM 0 HD12 LEU B 30 158.706 8.889 1.214 1.00 0.36 H new ATOM 0 HD13 LEU B 30 157.579 9.402 -0.064 1.00 0.36 H new ATOM 0 HD21 LEU B 30 158.540 12.331 -0.212 1.00 0.40 H new ATOM 0 HD22 LEU B 30 156.841 11.803 -0.195 1.00 0.40 H new ATOM 0 HD23 LEU B 30 157.421 12.974 1.012 1.00 0.40 H new ATOM 1853 N GLY B 31 155.660 10.552 5.144 1.00 0.33 N ATOM 1854 CA GLY B 31 154.555 10.148 6.047 1.00 0.34 C ATOM 1855 C GLY B 31 154.007 11.378 6.768 1.00 0.35 C ATOM 1856 O GLY B 31 152.818 11.514 6.960 1.00 0.36 O ATOM 0 H GLY B 31 156.573 10.156 5.369 1.00 0.33 H new ATOM 0 HA2 GLY B 31 153.762 9.666 5.475 1.00 0.34 H new ATOM 0 HA3 GLY B 31 154.913 9.418 6.773 1.00 0.34 H new ATOM 1860 N LYS B 32 154.864 12.273 7.181 1.00 0.35 N ATOM 1861 CA LYS B 32 154.384 13.481 7.908 1.00 0.37 C ATOM 1862 C LYS B 32 153.439 14.297 7.018 1.00 0.37 C ATOM 1863 O LYS B 32 152.440 14.811 7.480 1.00 0.38 O ATOM 1864 CB LYS B 32 155.588 14.342 8.298 1.00 0.40 C ATOM 1865 CG LYS B 32 155.134 15.450 9.255 1.00 1.18 C ATOM 1866 CD LYS B 32 156.303 16.400 9.559 1.00 1.36 C ATOM 1867 CE LYS B 32 157.308 15.738 10.514 1.00 2.07 C ATOM 1868 NZ LYS B 32 156.594 15.187 11.701 1.00 2.75 N ATOM 0 H LYS B 32 155.874 12.219 7.046 1.00 0.35 H new ATOM 0 HA LYS B 32 153.843 13.170 8.802 1.00 0.37 H new ATOM 0 HB2 LYS B 32 156.351 13.726 8.774 1.00 0.40 H new ATOM 0 HB3 LYS B 32 156.040 14.778 7.408 1.00 0.40 H new ATOM 0 HG2 LYS B 32 154.308 16.007 8.812 1.00 1.18 H new ATOM 0 HG3 LYS B 32 154.762 15.011 10.181 1.00 1.18 H new ATOM 0 HD2 LYS B 32 156.804 16.677 8.631 1.00 1.36 H new ATOM 0 HD3 LYS B 32 155.924 17.320 10.003 1.00 1.36 H new ATOM 0 HE2 LYS B 32 157.842 14.940 9.998 1.00 2.07 H new ATOM 0 HE3 LYS B 32 158.054 16.466 10.833 1.00 2.07 H new ATOM 0 HZ1 LYS B 32 157.213 15.241 12.535 1.00 2.75 H new ATOM 0 HZ2 LYS B 32 155.730 15.740 11.874 1.00 2.75 H new ATOM 0 HZ3 LYS B 32 156.339 14.194 11.523 1.00 2.75 H new ATOM 1882 N LYS B 33 153.745 14.444 5.759 1.00 0.35 N ATOM 1883 CA LYS B 33 152.849 15.258 4.887 1.00 0.36 C ATOM 1884 C LYS B 33 151.502 14.545 4.718 1.00 0.34 C ATOM 1885 O LYS B 33 150.458 15.164 4.748 1.00 0.36 O ATOM 1886 CB LYS B 33 153.507 15.444 3.518 1.00 0.36 C ATOM 1887 CG LYS B 33 154.735 16.342 3.672 1.00 0.39 C ATOM 1888 CD LYS B 33 155.405 16.539 2.311 1.00 0.64 C ATOM 1889 CE LYS B 33 156.632 17.437 2.478 1.00 0.66 C ATOM 1890 NZ LYS B 33 157.697 16.682 3.198 1.00 1.56 N ATOM 0 H LYS B 33 154.563 14.043 5.300 1.00 0.35 H new ATOM 0 HA LYS B 33 152.682 16.232 5.347 1.00 0.36 H new ATOM 0 HB2 LYS B 33 153.797 14.478 3.106 1.00 0.36 H new ATOM 0 HB3 LYS B 33 152.800 15.890 2.818 1.00 0.36 H new ATOM 0 HG2 LYS B 33 154.442 17.307 4.087 1.00 0.39 H new ATOM 0 HG3 LYS B 33 155.439 15.894 4.373 1.00 0.39 H new ATOM 0 HD2 LYS B 33 155.699 15.576 1.894 1.00 0.64 H new ATOM 0 HD3 LYS B 33 154.703 16.989 1.609 1.00 0.64 H new ATOM 0 HE2 LYS B 33 156.995 17.762 1.503 1.00 0.66 H new ATOM 0 HE3 LYS B 33 156.367 18.336 3.035 1.00 0.66 H new ATOM 0 HZ1 LYS B 33 157.959 17.193 4.065 1.00 1.56 H new ATOM 0 HZ2 LYS B 33 157.344 15.736 3.447 1.00 1.56 H new ATOM 0 HZ3 LYS B 33 158.532 16.590 2.585 1.00 1.56 H new ATOM 1904 N LEU B 34 151.512 13.250 4.569 1.00 0.32 N ATOM 1905 CA LEU B 34 150.225 12.508 4.428 1.00 0.31 C ATOM 1906 C LEU B 34 149.394 12.699 5.704 1.00 0.31 C ATOM 1907 O LEU B 34 148.189 12.855 5.662 1.00 0.32 O ATOM 1908 CB LEU B 34 150.521 11.021 4.212 1.00 0.28 C ATOM 1909 CG LEU B 34 151.138 10.803 2.820 1.00 0.29 C ATOM 1910 CD1 LEU B 34 151.657 9.363 2.718 1.00 0.29 C ATOM 1911 CD2 LEU B 34 150.081 11.048 1.716 1.00 0.33 C ATOM 0 H LEU B 34 152.353 12.673 4.539 1.00 0.32 H new ATOM 0 HA LEU B 34 149.665 12.888 3.574 1.00 0.31 H new ATOM 0 HB2 LEU B 34 151.204 10.662 4.982 1.00 0.28 H new ATOM 0 HB3 LEU B 34 149.603 10.442 4.306 1.00 0.28 H new ATOM 0 HG LEU B 34 151.959 11.506 2.682 1.00 0.29 H new ATOM 0 HD11 LEU B 34 152.095 9.203 1.733 1.00 0.29 H new ATOM 0 HD12 LEU B 34 152.414 9.194 3.484 1.00 0.29 H new ATOM 0 HD13 LEU B 34 150.831 8.667 2.865 1.00 0.29 H new ATOM 0 HD21 LEU B 34 150.534 10.890 0.737 1.00 0.33 H new ATOM 0 HD22 LEU B 34 149.250 10.355 1.848 1.00 0.33 H new ATOM 0 HD23 LEU B 34 149.714 12.072 1.785 1.00 0.33 H new ATOM 1923 N GLU B 35 150.040 12.672 6.836 1.00 0.31 N ATOM 1924 CA GLU B 35 149.294 12.837 8.121 1.00 0.34 C ATOM 1925 C GLU B 35 148.589 14.194 8.126 1.00 0.37 C ATOM 1926 O GLU B 35 147.460 14.321 8.556 1.00 0.39 O ATOM 1927 CB GLU B 35 150.271 12.769 9.299 1.00 0.35 C ATOM 1928 CG GLU B 35 150.809 11.345 9.438 1.00 0.92 C ATOM 1929 CD GLU B 35 151.959 11.323 10.445 1.00 1.02 C ATOM 1930 OE1 GLU B 35 152.277 12.375 10.975 1.00 1.35 O ATOM 1931 OE2 GLU B 35 152.501 10.254 10.671 1.00 1.68 O ATOM 0 H GLU B 35 151.047 12.544 6.930 1.00 0.31 H new ATOM 0 HA GLU B 35 148.558 12.039 8.216 1.00 0.34 H new ATOM 0 HB2 GLU B 35 151.094 13.466 9.142 1.00 0.35 H new ATOM 0 HB3 GLU B 35 149.769 13.070 10.219 1.00 0.35 H new ATOM 0 HG2 GLU B 35 150.013 10.676 9.766 1.00 0.92 H new ATOM 0 HG3 GLU B 35 151.154 10.980 8.470 1.00 0.92 H new ATOM 1938 N GLU B 36 149.253 15.207 7.646 1.00 0.39 N ATOM 1939 CA GLU B 36 148.638 16.562 7.611 1.00 0.44 C ATOM 1940 C GLU B 36 147.503 16.562 6.588 1.00 0.45 C ATOM 1941 O GLU B 36 146.644 17.421 6.591 1.00 0.49 O ATOM 1942 CB GLU B 36 149.693 17.589 7.197 1.00 0.46 C ATOM 1943 CG GLU B 36 150.716 17.756 8.321 1.00 1.11 C ATOM 1944 CD GLU B 36 151.789 18.757 7.889 1.00 1.38 C ATOM 1945 OE1 GLU B 36 151.704 19.239 6.771 1.00 1.85 O ATOM 1946 OE2 GLU B 36 152.678 19.022 8.680 1.00 1.99 O ATOM 0 H GLU B 36 150.201 15.154 7.274 1.00 0.39 H new ATOM 0 HA GLU B 36 148.251 16.819 8.597 1.00 0.44 H new ATOM 0 HB2 GLU B 36 150.191 17.265 6.283 1.00 0.46 H new ATOM 0 HB3 GLU B 36 149.218 18.546 6.979 1.00 0.46 H new ATOM 0 HG2 GLU B 36 150.222 18.105 9.228 1.00 1.11 H new ATOM 0 HG3 GLU B 36 151.174 16.795 8.557 1.00 1.11 H new ATOM 1953 N ARG B 37 147.519 15.613 5.696 1.00 0.42 N ATOM 1954 CA ARG B 37 146.464 15.559 4.642 1.00 0.45 C ATOM 1955 C ARG B 37 145.268 14.740 5.140 1.00 0.42 C ATOM 1956 O ARG B 37 144.281 14.601 4.445 1.00 0.43 O ATOM 1957 CB ARG B 37 147.042 14.912 3.375 1.00 0.45 C ATOM 1958 CG ARG B 37 148.091 15.833 2.729 1.00 0.52 C ATOM 1959 CD ARG B 37 147.415 16.940 1.906 1.00 0.86 C ATOM 1960 NE ARG B 37 148.456 17.665 1.123 1.00 1.42 N ATOM 1961 CZ ARG B 37 148.111 18.456 0.144 1.00 1.87 C ATOM 1962 NH1 ARG B 37 146.851 18.610 -0.159 1.00 2.15 N ATOM 1963 NH2 ARG B 37 149.026 19.094 -0.533 1.00 2.68 N ATOM 0 H ARG B 37 148.217 14.871 5.649 1.00 0.42 H new ATOM 0 HA ARG B 37 146.130 16.572 4.415 1.00 0.45 H new ATOM 0 HB2 ARG B 37 147.496 13.953 3.624 1.00 0.45 H new ATOM 0 HB3 ARG B 37 146.240 14.710 2.665 1.00 0.45 H new ATOM 0 HG2 ARG B 37 148.715 16.279 3.503 1.00 0.52 H new ATOM 0 HG3 ARG B 37 148.749 15.247 2.087 1.00 0.52 H new ATOM 0 HD2 ARG B 37 146.671 16.510 1.236 1.00 0.86 H new ATOM 0 HD3 ARG B 37 146.889 17.631 2.565 1.00 0.86 H new ATOM 0 HE ARG B 37 149.442 17.542 1.353 1.00 1.42 H new ATOM 0 HH11 ARG B 37 146.135 18.112 0.370 1.00 2.15 H new ATOM 0 HH12 ARG B 37 146.582 19.228 -0.924 1.00 2.15 H new ATOM 0 HH21 ARG B 37 150.011 18.975 -0.297 1.00 2.68 H new ATOM 0 HH22 ARG B 37 148.756 19.712 -1.298 1.00 2.68 H new ATOM 1977 N GLY B 38 145.322 14.233 6.354 1.00 0.41 N ATOM 1978 CA GLY B 38 144.153 13.466 6.907 1.00 0.39 C ATOM 1979 C GLY B 38 144.436 11.962 6.961 1.00 0.37 C ATOM 1980 O GLY B 38 143.574 11.183 7.316 1.00 0.49 O ATOM 0 H GLY B 38 146.121 14.317 6.983 1.00 0.41 H new ATOM 0 HA2 GLY B 38 143.921 13.829 7.908 1.00 0.39 H new ATOM 0 HA3 GLY B 38 143.273 13.649 6.290 1.00 0.39 H new ATOM 1984 N PHE B 39 145.626 11.537 6.626 1.00 0.31 N ATOM 1985 CA PHE B 39 145.951 10.074 6.674 1.00 0.28 C ATOM 1986 C PHE B 39 146.794 9.789 7.919 1.00 0.28 C ATOM 1987 O PHE B 39 147.996 9.630 7.842 1.00 0.28 O ATOM 1988 CB PHE B 39 146.767 9.710 5.439 1.00 0.27 C ATOM 1989 CG PHE B 39 145.925 9.878 4.201 1.00 0.28 C ATOM 1990 CD1 PHE B 39 145.888 11.113 3.551 1.00 0.31 C ATOM 1991 CD2 PHE B 39 145.190 8.800 3.699 1.00 0.27 C ATOM 1992 CE1 PHE B 39 145.111 11.276 2.399 1.00 0.33 C ATOM 1993 CE2 PHE B 39 144.413 8.958 2.546 1.00 0.30 C ATOM 1994 CZ PHE B 39 144.373 10.198 1.896 1.00 0.32 C ATOM 0 H PHE B 39 146.391 12.139 6.320 1.00 0.31 H new ATOM 0 HA PHE B 39 145.031 9.491 6.704 1.00 0.28 H new ATOM 0 HB2 PHE B 39 147.651 10.344 5.377 1.00 0.27 H new ATOM 0 HB3 PHE B 39 147.117 8.681 5.514 1.00 0.27 H new ATOM 0 HD1 PHE B 39 146.460 11.943 3.938 1.00 0.31 H new ATOM 0 HD2 PHE B 39 145.222 7.845 4.201 1.00 0.27 H new ATOM 0 HE1 PHE B 39 145.081 12.232 1.898 1.00 0.33 H new ATOM 0 HE2 PHE B 39 143.845 8.125 2.158 1.00 0.30 H new ATOM 0 HZ PHE B 39 143.773 10.322 1.007 1.00 0.32 H new ATOM 2004 N ASP B 40 146.181 9.762 9.073 1.00 0.30 N ATOM 2005 CA ASP B 40 146.962 9.534 10.323 1.00 0.31 C ATOM 2006 C ASP B 40 147.323 8.050 10.484 1.00 0.29 C ATOM 2007 O ASP B 40 148.128 7.700 11.324 1.00 0.30 O ATOM 2008 CB ASP B 40 146.130 9.989 11.523 1.00 0.35 C ATOM 2009 CG ASP B 40 144.897 9.096 11.660 1.00 0.37 C ATOM 2010 OD1 ASP B 40 144.545 8.453 10.686 1.00 0.36 O ATOM 2011 OD2 ASP B 40 144.323 9.073 12.737 1.00 0.41 O ATOM 0 H ASP B 40 145.177 9.887 9.203 1.00 0.30 H new ATOM 0 HA ASP B 40 147.887 10.107 10.266 1.00 0.31 H new ATOM 0 HB2 ASP B 40 146.729 9.941 12.433 1.00 0.35 H new ATOM 0 HB3 ASP B 40 145.827 11.028 11.395 1.00 0.35 H new ATOM 2016 N LYS B 41 146.752 7.173 9.690 1.00 0.28 N ATOM 2017 CA LYS B 41 147.085 5.711 9.806 1.00 0.28 C ATOM 2018 C LYS B 41 147.303 5.124 8.405 1.00 0.23 C ATOM 2019 O LYS B 41 146.858 5.668 7.414 1.00 0.23 O ATOM 2020 CB LYS B 41 145.941 4.964 10.503 1.00 0.33 C ATOM 2021 CG LYS B 41 145.744 5.493 11.936 1.00 0.47 C ATOM 2022 CD LYS B 41 146.859 4.985 12.862 1.00 0.74 C ATOM 2023 CE LYS B 41 146.448 5.216 14.320 1.00 0.71 C ATOM 2024 NZ LYS B 41 145.291 4.338 14.655 1.00 1.56 N ATOM 0 H LYS B 41 146.071 7.404 8.967 1.00 0.28 H new ATOM 0 HA LYS B 41 147.994 5.598 10.396 1.00 0.28 H new ATOM 0 HB2 LYS B 41 145.019 5.086 9.934 1.00 0.33 H new ATOM 0 HB3 LYS B 41 146.159 3.896 10.530 1.00 0.33 H new ATOM 0 HG2 LYS B 41 145.739 6.583 11.929 1.00 0.47 H new ATOM 0 HG3 LYS B 41 144.774 5.172 12.317 1.00 0.47 H new ATOM 0 HD2 LYS B 41 147.039 3.924 12.686 1.00 0.74 H new ATOM 0 HD3 LYS B 41 147.792 5.507 12.648 1.00 0.74 H new ATOM 0 HE2 LYS B 41 147.286 5.001 14.984 1.00 0.71 H new ATOM 0 HE3 LYS B 41 146.181 6.262 14.472 1.00 0.71 H new ATOM 0 HZ1 LYS B 41 144.462 4.926 14.875 1.00 1.56 H new ATOM 0 HZ2 LYS B 41 145.075 3.724 13.844 1.00 1.56 H new ATOM 0 HZ3 LYS B 41 145.528 3.751 15.480 1.00 1.56 H new ATOM 2038 N ALA B 42 148.011 4.030 8.324 1.00 0.21 N ATOM 2039 CA ALA B 42 148.303 3.399 7.000 1.00 0.20 C ATOM 2040 C ALA B 42 147.029 2.884 6.313 1.00 0.18 C ATOM 2041 O ALA B 42 146.855 3.051 5.122 1.00 0.18 O ATOM 2042 CB ALA B 42 149.264 2.226 7.216 1.00 0.21 C ATOM 0 H ALA B 42 148.405 3.539 9.127 1.00 0.21 H new ATOM 0 HA ALA B 42 148.746 4.157 6.354 1.00 0.20 H new ATOM 0 HB1 ALA B 42 149.486 1.756 6.258 1.00 0.21 H new ATOM 0 HB2 ALA B 42 150.188 2.591 7.664 1.00 0.21 H new ATOM 0 HB3 ALA B 42 148.803 1.495 7.880 1.00 0.21 H new ATOM 2048 N TYR B 43 146.160 2.225 7.027 1.00 0.18 N ATOM 2049 CA TYR B 43 144.938 1.665 6.375 1.00 0.18 C ATOM 2050 C TYR B 43 144.150 2.774 5.665 1.00 0.17 C ATOM 2051 O TYR B 43 143.342 2.507 4.799 1.00 0.17 O ATOM 2052 CB TYR B 43 144.058 0.953 7.411 1.00 0.20 C ATOM 2053 CG TYR B 43 143.284 1.950 8.237 1.00 0.21 C ATOM 2054 CD1 TYR B 43 142.038 2.392 7.789 1.00 0.21 C ATOM 2055 CD2 TYR B 43 143.798 2.413 9.452 1.00 0.24 C ATOM 2056 CE1 TYR B 43 141.303 3.299 8.551 1.00 0.25 C ATOM 2057 CE2 TYR B 43 143.062 3.325 10.217 1.00 0.28 C ATOM 2058 CZ TYR B 43 141.814 3.768 9.768 1.00 0.27 C ATOM 2059 OH TYR B 43 141.091 4.666 10.527 1.00 0.32 O ATOM 0 H TYR B 43 146.240 2.049 8.029 1.00 0.18 H new ATOM 0 HA TYR B 43 145.248 0.935 5.627 1.00 0.18 H new ATOM 0 HB2 TYR B 43 143.366 0.279 6.905 1.00 0.20 H new ATOM 0 HB3 TYR B 43 144.680 0.340 8.063 1.00 0.20 H new ATOM 0 HD1 TYR B 43 141.643 2.031 6.851 1.00 0.21 H new ATOM 0 HD2 TYR B 43 144.761 2.068 9.799 1.00 0.24 H new ATOM 0 HE1 TYR B 43 140.339 3.640 8.203 1.00 0.25 H new ATOM 0 HE2 TYR B 43 143.458 3.687 11.154 1.00 0.28 H new ATOM 0 HH TYR B 43 141.592 4.885 11.340 1.00 0.32 H new ATOM 2069 N VAL B 44 144.390 4.012 5.998 1.00 0.18 N ATOM 2070 CA VAL B 44 143.661 5.117 5.308 1.00 0.18 C ATOM 2071 C VAL B 44 144.340 5.371 3.957 1.00 0.17 C ATOM 2072 O VAL B 44 143.720 5.743 2.977 1.00 0.17 O ATOM 2073 CB VAL B 44 143.708 6.384 6.167 1.00 0.20 C ATOM 2074 CG1 VAL B 44 142.795 7.454 5.559 1.00 0.21 C ATOM 2075 CG2 VAL B 44 143.228 6.055 7.583 1.00 0.24 C ATOM 0 H VAL B 44 145.055 4.307 6.713 1.00 0.18 H new ATOM 0 HA VAL B 44 142.617 4.843 5.154 1.00 0.18 H new ATOM 0 HB VAL B 44 144.731 6.758 6.203 1.00 0.20 H new ATOM 0 HG11 VAL B 44 142.831 8.354 6.173 1.00 0.21 H new ATOM 0 HG12 VAL B 44 143.132 7.689 4.550 1.00 0.21 H new ATOM 0 HG13 VAL B 44 141.772 7.081 5.522 1.00 0.21 H new ATOM 0 HG21 VAL B 44 143.261 6.955 8.197 1.00 0.24 H new ATOM 0 HG22 VAL B 44 142.205 5.680 7.543 1.00 0.24 H new ATOM 0 HG23 VAL B 44 143.876 5.295 8.019 1.00 0.24 H new ATOM 2085 N VAL B 45 145.626 5.146 3.918 1.00 0.17 N ATOM 2086 CA VAL B 45 146.398 5.344 2.660 1.00 0.17 C ATOM 2087 C VAL B 45 146.120 4.163 1.732 1.00 0.15 C ATOM 2088 O VAL B 45 145.959 4.326 0.539 1.00 0.15 O ATOM 2089 CB VAL B 45 147.896 5.428 2.974 1.00 0.18 C ATOM 2090 CG1 VAL B 45 148.704 5.373 1.673 1.00 0.22 C ATOM 2091 CG2 VAL B 45 148.198 6.746 3.708 1.00 0.20 C ATOM 0 H VAL B 45 146.180 4.830 4.714 1.00 0.17 H new ATOM 0 HA VAL B 45 146.096 6.273 2.177 1.00 0.17 H new ATOM 0 HB VAL B 45 148.175 4.586 3.608 1.00 0.18 H new ATOM 0 HG11 VAL B 45 149.768 5.433 1.903 1.00 0.22 H new ATOM 0 HG12 VAL B 45 148.497 4.436 1.155 1.00 0.22 H new ATOM 0 HG13 VAL B 45 148.423 6.210 1.034 1.00 0.22 H new ATOM 0 HG21 VAL B 45 149.264 6.803 3.930 1.00 0.20 H new ATOM 0 HG22 VAL B 45 147.913 7.588 3.077 1.00 0.20 H new ATOM 0 HG23 VAL B 45 147.631 6.782 4.638 1.00 0.20 H new ATOM 2101 N LEU B 46 146.022 2.980 2.269 1.00 0.17 N ATOM 2102 CA LEU B 46 145.708 1.814 1.403 1.00 0.17 C ATOM 2103 C LEU B 46 144.355 2.102 0.759 1.00 0.17 C ATOM 2104 O LEU B 46 144.118 1.806 -0.396 1.00 0.17 O ATOM 2105 CB LEU B 46 145.623 0.535 2.253 1.00 0.22 C ATOM 2106 CG LEU B 46 145.296 -0.684 1.363 1.00 0.25 C ATOM 2107 CD1 LEU B 46 146.502 -1.053 0.486 1.00 0.40 C ATOM 2108 CD2 LEU B 46 144.924 -1.889 2.238 1.00 0.35 C ATOM 0 H LEU B 46 146.144 2.772 3.260 1.00 0.17 H new ATOM 0 HA LEU B 46 146.480 1.664 0.649 1.00 0.17 H new ATOM 0 HB2 LEU B 46 146.568 0.372 2.771 1.00 0.22 H new ATOM 0 HB3 LEU B 46 144.856 0.650 3.019 1.00 0.22 H new ATOM 0 HG LEU B 46 144.455 -0.421 0.722 1.00 0.25 H new ATOM 0 HD11 LEU B 46 146.251 -1.914 -0.134 1.00 0.40 H new ATOM 0 HD12 LEU B 46 146.759 -0.208 -0.153 1.00 0.40 H new ATOM 0 HD13 LEU B 46 147.353 -1.299 1.122 1.00 0.40 H new ATOM 0 HD21 LEU B 46 144.695 -2.744 1.602 1.00 0.35 H new ATOM 0 HD22 LEU B 46 145.761 -2.137 2.891 1.00 0.35 H new ATOM 0 HD23 LEU B 46 144.052 -1.643 2.844 1.00 0.35 H new ATOM 2120 N GLY B 47 143.469 2.691 1.515 1.00 0.17 N ATOM 2121 CA GLY B 47 142.121 3.024 0.989 1.00 0.18 C ATOM 2122 C GLY B 47 142.257 3.820 -0.308 1.00 0.17 C ATOM 2123 O GLY B 47 141.585 3.550 -1.283 1.00 0.18 O ATOM 0 H GLY B 47 143.627 2.958 2.487 1.00 0.17 H new ATOM 0 HA2 GLY B 47 141.554 2.110 0.809 1.00 0.18 H new ATOM 0 HA3 GLY B 47 141.565 3.603 1.726 1.00 0.18 H new ATOM 2127 N GLN B 48 143.120 4.797 -0.334 1.00 0.17 N ATOM 2128 CA GLN B 48 143.280 5.600 -1.578 1.00 0.18 C ATOM 2129 C GLN B 48 143.718 4.680 -2.724 1.00 0.17 C ATOM 2130 O GLN B 48 143.236 4.786 -3.833 1.00 0.18 O ATOM 2131 CB GLN B 48 144.341 6.683 -1.345 1.00 0.18 C ATOM 2132 CG GLN B 48 144.335 7.679 -2.512 1.00 0.22 C ATOM 2133 CD GLN B 48 143.162 8.652 -2.356 1.00 0.28 C ATOM 2134 OE1 GLN B 48 143.080 9.640 -3.060 1.00 0.97 O ATOM 2135 NE2 GLN B 48 142.247 8.417 -1.456 1.00 1.09 N ATOM 0 H GLN B 48 143.717 5.073 0.446 1.00 0.17 H new ATOM 0 HA GLN B 48 142.333 6.072 -1.839 1.00 0.18 H new ATOM 0 HB2 GLN B 48 144.141 7.205 -0.409 1.00 0.18 H new ATOM 0 HB3 GLN B 48 145.326 6.225 -1.251 1.00 0.18 H new ATOM 0 HG2 GLN B 48 145.275 8.229 -2.537 1.00 0.22 H new ATOM 0 HG3 GLN B 48 144.253 7.144 -3.458 1.00 0.22 H new ATOM 0 HE21 GLN B 48 142.314 7.589 -0.865 1.00 1.09 H new ATOM 0 HE22 GLN B 48 141.464 9.062 -1.344 1.00 1.09 H new ATOM 2144 N PHE B 49 144.617 3.771 -2.466 1.00 0.17 N ATOM 2145 CA PHE B 49 145.073 2.838 -3.542 1.00 0.17 C ATOM 2146 C PHE B 49 143.867 2.045 -4.049 1.00 0.18 C ATOM 2147 O PHE B 49 143.709 1.811 -5.231 1.00 0.19 O ATOM 2148 CB PHE B 49 146.114 1.883 -2.959 1.00 0.18 C ATOM 2149 CG PHE B 49 146.604 0.929 -4.025 1.00 0.20 C ATOM 2150 CD1 PHE B 49 147.429 1.401 -5.053 1.00 0.24 C ATOM 2151 CD2 PHE B 49 146.253 -0.427 -3.977 1.00 0.27 C ATOM 2152 CE1 PHE B 49 147.902 0.520 -6.032 1.00 0.27 C ATOM 2153 CE2 PHE B 49 146.725 -1.307 -4.958 1.00 0.31 C ATOM 2154 CZ PHE B 49 147.549 -0.834 -5.985 1.00 0.27 C ATOM 0 H PHE B 49 145.058 3.632 -1.557 1.00 0.17 H new ATOM 0 HA PHE B 49 145.515 3.395 -4.368 1.00 0.17 H new ATOM 0 HB2 PHE B 49 146.953 2.450 -2.555 1.00 0.18 H new ATOM 0 HB3 PHE B 49 145.680 1.322 -2.131 1.00 0.18 H new ATOM 0 HD1 PHE B 49 147.701 2.446 -5.090 1.00 0.24 H new ATOM 0 HD2 PHE B 49 145.619 -0.793 -3.183 1.00 0.27 H new ATOM 0 HE1 PHE B 49 148.539 0.885 -6.824 1.00 0.27 H new ATOM 0 HE2 PHE B 49 146.453 -2.352 -4.922 1.00 0.31 H new ATOM 0 HZ PHE B 49 147.913 -1.513 -6.742 1.00 0.27 H new ATOM 2164 N LEU B 50 143.021 1.638 -3.156 1.00 0.18 N ATOM 2165 CA LEU B 50 141.823 0.860 -3.570 1.00 0.20 C ATOM 2166 C LEU B 50 140.866 1.796 -4.328 1.00 0.21 C ATOM 2167 O LEU B 50 140.258 1.416 -5.308 1.00 0.23 O ATOM 2168 CB LEU B 50 141.141 0.278 -2.321 1.00 0.22 C ATOM 2169 CG LEU B 50 142.071 -0.734 -1.620 1.00 0.23 C ATOM 2170 CD1 LEU B 50 141.586 -0.970 -0.182 1.00 0.27 C ATOM 2171 CD2 LEU B 50 142.066 -2.078 -2.363 1.00 0.27 C ATOM 0 H LEU B 50 143.104 1.809 -2.154 1.00 0.18 H new ATOM 0 HA LEU B 50 142.108 0.036 -4.224 1.00 0.20 H new ATOM 0 HB2 LEU B 50 140.884 1.082 -1.632 1.00 0.22 H new ATOM 0 HB3 LEU B 50 140.208 -0.211 -2.603 1.00 0.22 H new ATOM 0 HG LEU B 50 143.081 -0.325 -1.618 1.00 0.23 H new ATOM 0 HD11 LEU B 50 142.244 -1.685 0.311 1.00 0.27 H new ATOM 0 HD12 LEU B 50 141.599 -0.028 0.366 1.00 0.27 H new ATOM 0 HD13 LEU B 50 140.570 -1.365 -0.201 1.00 0.27 H new ATOM 0 HD21 LEU B 50 142.728 -2.778 -1.853 1.00 0.27 H new ATOM 0 HD22 LEU B 50 141.054 -2.481 -2.378 1.00 0.27 H new ATOM 0 HD23 LEU B 50 142.413 -1.930 -3.386 1.00 0.27 H new ATOM 2183 N VAL B 51 140.721 3.010 -3.873 1.00 0.21 N ATOM 2184 CA VAL B 51 139.798 3.973 -4.554 1.00 0.23 C ATOM 2185 C VAL B 51 140.338 4.349 -5.947 1.00 0.23 C ATOM 2186 O VAL B 51 139.605 4.809 -6.799 1.00 0.25 O ATOM 2187 CB VAL B 51 139.653 5.243 -3.697 1.00 0.25 C ATOM 2188 CG1 VAL B 51 138.935 6.337 -4.497 1.00 0.28 C ATOM 2189 CG2 VAL B 51 138.837 4.927 -2.437 1.00 0.27 C ATOM 0 H VAL B 51 141.203 3.382 -3.055 1.00 0.21 H new ATOM 0 HA VAL B 51 138.825 3.497 -4.674 1.00 0.23 H new ATOM 0 HB VAL B 51 140.646 5.592 -3.415 1.00 0.25 H new ATOM 0 HG11 VAL B 51 138.837 7.232 -3.883 1.00 0.28 H new ATOM 0 HG12 VAL B 51 139.512 6.572 -5.391 1.00 0.28 H new ATOM 0 HG13 VAL B 51 137.945 5.985 -4.787 1.00 0.28 H new ATOM 0 HG21 VAL B 51 138.737 5.829 -1.833 1.00 0.27 H new ATOM 0 HG22 VAL B 51 137.848 4.571 -2.724 1.00 0.27 H new ATOM 0 HG23 VAL B 51 139.346 4.157 -1.857 1.00 0.27 H new ATOM 2198 N LEU B 52 141.615 4.188 -6.172 1.00 0.22 N ATOM 2199 CA LEU B 52 142.203 4.572 -7.497 1.00 0.23 C ATOM 2200 C LEU B 52 142.159 3.390 -8.471 1.00 0.23 C ATOM 2201 O LEU B 52 142.801 3.411 -9.502 1.00 0.24 O ATOM 2202 CB LEU B 52 143.655 4.996 -7.289 1.00 0.24 C ATOM 2203 CG LEU B 52 143.709 6.324 -6.516 1.00 0.25 C ATOM 2204 CD1 LEU B 52 145.156 6.588 -6.081 1.00 0.30 C ATOM 2205 CD2 LEU B 52 143.207 7.487 -7.400 1.00 0.27 C ATOM 0 H LEU B 52 142.279 3.808 -5.498 1.00 0.22 H new ATOM 0 HA LEU B 52 141.622 5.393 -7.918 1.00 0.23 H new ATOM 0 HB2 LEU B 52 144.193 4.224 -6.739 1.00 0.24 H new ATOM 0 HB3 LEU B 52 144.152 5.106 -8.253 1.00 0.24 H new ATOM 0 HG LEU B 52 143.064 6.256 -5.640 1.00 0.25 H new ATOM 0 HD11 LEU B 52 145.205 7.528 -5.532 1.00 0.30 H new ATOM 0 HD12 LEU B 52 145.497 5.775 -5.440 1.00 0.30 H new ATOM 0 HD13 LEU B 52 145.795 6.649 -6.962 1.00 0.30 H new ATOM 0 HD21 LEU B 52 143.253 8.419 -6.836 1.00 0.27 H new ATOM 0 HD22 LEU B 52 143.836 7.568 -8.286 1.00 0.27 H new ATOM 0 HD23 LEU B 52 142.177 7.296 -7.702 1.00 0.27 H new ATOM 2217 N LYS B 53 141.415 2.368 -8.171 1.00 0.23 N ATOM 2218 CA LYS B 53 141.345 1.201 -9.098 1.00 0.24 C ATOM 2219 C LYS B 53 142.757 0.731 -9.466 1.00 0.24 C ATOM 2220 O LYS B 53 143.005 0.311 -10.579 1.00 0.30 O ATOM 2221 CB LYS B 53 140.604 1.603 -10.377 1.00 0.29 C ATOM 2222 CG LYS B 53 139.163 1.992 -10.041 1.00 0.39 C ATOM 2223 CD LYS B 53 138.417 2.317 -11.336 1.00 0.48 C ATOM 2224 CE LYS B 53 137.031 2.878 -11.011 1.00 0.92 C ATOM 2225 NZ LYS B 53 137.178 4.137 -10.227 1.00 1.71 N ATOM 0 H LYS B 53 140.851 2.286 -7.325 1.00 0.23 H new ATOM 0 HA LYS B 53 140.813 0.390 -8.600 1.00 0.24 H new ATOM 0 HB2 LYS B 53 141.114 2.439 -10.856 1.00 0.29 H new ATOM 0 HB3 LYS B 53 140.611 0.776 -11.087 1.00 0.29 H new ATOM 0 HG2 LYS B 53 138.666 1.176 -9.516 1.00 0.39 H new ATOM 0 HG3 LYS B 53 139.152 2.854 -9.374 1.00 0.39 H new ATOM 0 HD2 LYS B 53 138.984 3.041 -11.921 1.00 0.48 H new ATOM 0 HD3 LYS B 53 138.322 1.419 -11.946 1.00 0.48 H new ATOM 0 HE2 LYS B 53 136.480 3.072 -11.931 1.00 0.92 H new ATOM 0 HE3 LYS B 53 136.455 2.148 -10.443 1.00 0.92 H new ATOM 0 HZ1 LYS B 53 136.261 4.625 -10.179 1.00 1.71 H new ATOM 0 HZ2 LYS B 53 137.500 3.911 -9.264 1.00 1.71 H new ATOM 0 HZ3 LYS B 53 137.875 4.755 -10.690 1.00 1.71 H new ATOM 2239 N LYS B 54 143.683 0.790 -8.537 1.00 0.23 N ATOM 2240 CA LYS B 54 145.084 0.338 -8.806 1.00 0.26 C ATOM 2241 C LYS B 54 145.669 1.082 -10.011 1.00 0.28 C ATOM 2242 O LYS B 54 146.644 0.650 -10.594 1.00 0.34 O ATOM 2243 CB LYS B 54 145.087 -1.170 -9.083 1.00 0.36 C ATOM 2244 CG LYS B 54 144.540 -1.910 -7.861 1.00 0.67 C ATOM 2245 CD LYS B 54 144.540 -3.417 -8.129 1.00 0.83 C ATOM 2246 CE LYS B 54 143.992 -4.150 -6.902 1.00 1.41 C ATOM 2247 NZ LYS B 54 142.535 -3.869 -6.764 1.00 2.25 N ATOM 0 H LYS B 54 143.524 1.137 -7.591 1.00 0.23 H new ATOM 0 HA LYS B 54 145.697 0.556 -7.932 1.00 0.26 H new ATOM 0 HB2 LYS B 54 144.478 -1.392 -9.959 1.00 0.36 H new ATOM 0 HB3 LYS B 54 146.099 -1.509 -9.304 1.00 0.36 H new ATOM 0 HG2 LYS B 54 145.149 -1.686 -6.985 1.00 0.67 H new ATOM 0 HG3 LYS B 54 143.528 -1.570 -7.640 1.00 0.67 H new ATOM 0 HD2 LYS B 54 143.930 -3.642 -9.004 1.00 0.83 H new ATOM 0 HD3 LYS B 54 145.551 -3.759 -8.349 1.00 0.83 H new ATOM 0 HE2 LYS B 54 144.158 -5.223 -7.002 1.00 1.41 H new ATOM 0 HE3 LYS B 54 144.522 -3.827 -6.006 1.00 1.41 H new ATOM 0 HZ1 LYS B 54 142.115 -4.539 -6.089 1.00 2.25 H new ATOM 0 HZ2 LYS B 54 142.400 -2.898 -6.417 1.00 2.25 H new ATOM 0 HZ3 LYS B 54 142.072 -3.974 -7.689 1.00 2.25 H new ATOM 2261 N ASP B 55 145.114 2.201 -10.381 1.00 0.30 N ATOM 2262 CA ASP B 55 145.691 2.950 -11.535 1.00 0.39 C ATOM 2263 C ASP B 55 147.055 3.507 -11.110 1.00 0.38 C ATOM 2264 O ASP B 55 147.143 4.444 -10.344 1.00 0.37 O ATOM 2265 CB ASP B 55 144.753 4.095 -11.912 1.00 0.47 C ATOM 2266 CG ASP B 55 143.538 3.539 -12.657 1.00 1.18 C ATOM 2267 OD1 ASP B 55 143.727 2.671 -13.492 1.00 1.80 O ATOM 2268 OD2 ASP B 55 142.439 3.988 -12.376 1.00 1.54 O ATOM 0 H ASP B 55 144.297 2.627 -9.943 1.00 0.30 H new ATOM 0 HA ASP B 55 145.811 2.295 -12.398 1.00 0.39 H new ATOM 0 HB2 ASP B 55 144.431 4.625 -11.016 1.00 0.47 H new ATOM 0 HB3 ASP B 55 145.277 4.817 -12.538 1.00 0.47 H new ATOM 2273 N GLU B 56 148.119 2.918 -11.585 1.00 0.39 N ATOM 2274 CA GLU B 56 149.484 3.382 -11.198 1.00 0.38 C ATOM 2275 C GLU B 56 149.755 4.820 -11.662 1.00 0.38 C ATOM 2276 O GLU B 56 150.364 5.597 -10.958 1.00 0.38 O ATOM 2277 CB GLU B 56 150.517 2.447 -11.831 1.00 0.40 C ATOM 2278 CG GLU B 56 151.905 2.745 -11.261 1.00 0.41 C ATOM 2279 CD GLU B 56 152.904 1.718 -11.796 1.00 0.63 C ATOM 2280 OE1 GLU B 56 152.492 0.861 -12.560 1.00 0.88 O ATOM 2281 OE2 GLU B 56 154.062 1.800 -11.426 1.00 0.85 O ATOM 0 H GLU B 56 148.101 2.128 -12.230 1.00 0.39 H new ATOM 0 HA GLU B 56 149.554 3.365 -10.110 1.00 0.38 H new ATOM 0 HB2 GLU B 56 150.249 1.409 -11.636 1.00 0.40 H new ATOM 0 HB3 GLU B 56 150.523 2.576 -12.913 1.00 0.40 H new ATOM 0 HG2 GLU B 56 152.217 3.752 -11.540 1.00 0.41 H new ATOM 0 HG3 GLU B 56 151.878 2.710 -10.172 1.00 0.41 H new ATOM 2288 N ASP B 57 149.326 5.181 -12.842 1.00 0.40 N ATOM 2289 CA ASP B 57 149.589 6.567 -13.342 1.00 0.42 C ATOM 2290 C ASP B 57 148.821 7.574 -12.486 1.00 0.41 C ATOM 2291 O ASP B 57 149.322 8.626 -12.141 1.00 0.41 O ATOM 2292 CB ASP B 57 149.096 6.680 -14.787 1.00 0.45 C ATOM 2293 CG ASP B 57 149.995 5.858 -15.710 1.00 0.47 C ATOM 2294 OD1 ASP B 57 151.110 5.564 -15.312 1.00 0.65 O ATOM 2295 OD2 ASP B 57 149.553 5.535 -16.801 1.00 0.74 O ATOM 0 H ASP B 57 148.806 4.580 -13.481 1.00 0.40 H new ATOM 0 HA ASP B 57 150.658 6.774 -13.289 1.00 0.42 H new ATOM 0 HB2 ASP B 57 148.067 6.327 -14.858 1.00 0.45 H new ATOM 0 HB3 ASP B 57 149.097 7.724 -15.100 1.00 0.45 H new ATOM 2300 N LEU B 58 147.622 7.245 -12.127 1.00 0.40 N ATOM 2301 CA LEU B 58 146.834 8.175 -11.271 1.00 0.40 C ATOM 2302 C LEU B 58 147.432 8.179 -9.867 1.00 0.38 C ATOM 2303 O LEU B 58 147.514 9.201 -9.215 1.00 0.38 O ATOM 2304 CB LEU B 58 145.371 7.735 -11.195 1.00 0.41 C ATOM 2305 CG LEU B 58 144.699 7.858 -12.569 1.00 0.47 C ATOM 2306 CD1 LEU B 58 143.265 7.330 -12.468 1.00 0.45 C ATOM 2307 CD2 LEU B 58 144.677 9.330 -13.028 1.00 0.55 C ATOM 0 H LEU B 58 147.150 6.378 -12.384 1.00 0.40 H new ATOM 0 HA LEU B 58 146.873 9.174 -11.705 1.00 0.40 H new ATOM 0 HB2 LEU B 58 145.313 6.704 -10.847 1.00 0.41 H new ATOM 0 HB3 LEU B 58 144.839 8.347 -10.467 1.00 0.41 H new ATOM 0 HG LEU B 58 145.262 7.276 -13.298 1.00 0.47 H new ATOM 0 HD11 LEU B 58 142.778 7.413 -13.439 1.00 0.45 H new ATOM 0 HD12 LEU B 58 143.283 6.285 -12.159 1.00 0.45 H new ATOM 0 HD13 LEU B 58 142.712 7.916 -11.734 1.00 0.45 H new ATOM 0 HD21 LEU B 58 144.197 9.400 -14.004 1.00 0.55 H new ATOM 0 HD22 LEU B 58 144.120 9.928 -12.306 1.00 0.55 H new ATOM 0 HD23 LEU B 58 145.698 9.705 -13.098 1.00 0.55 H new ATOM 2319 N PHE B 59 147.868 7.040 -9.409 1.00 0.37 N ATOM 2320 CA PHE B 59 148.483 6.964 -8.058 1.00 0.35 C ATOM 2321 C PHE B 59 149.777 7.777 -8.029 1.00 0.36 C ATOM 2322 O PHE B 59 150.061 8.473 -7.074 1.00 0.35 O ATOM 2323 CB PHE B 59 148.774 5.505 -7.713 1.00 0.35 C ATOM 2324 CG PHE B 59 149.481 5.443 -6.383 1.00 0.34 C ATOM 2325 CD1 PHE B 59 148.742 5.354 -5.198 1.00 0.35 C ATOM 2326 CD2 PHE B 59 150.880 5.474 -6.336 1.00 0.37 C ATOM 2327 CE1 PHE B 59 149.403 5.300 -3.966 1.00 0.37 C ATOM 2328 CE2 PHE B 59 151.540 5.419 -5.104 1.00 0.38 C ATOM 2329 CZ PHE B 59 150.801 5.331 -3.918 1.00 0.37 C ATOM 0 H PHE B 59 147.824 6.155 -9.915 1.00 0.37 H new ATOM 0 HA PHE B 59 147.792 7.376 -7.322 1.00 0.35 H new ATOM 0 HB2 PHE B 59 147.845 4.936 -7.672 1.00 0.35 H new ATOM 0 HB3 PHE B 59 149.391 5.051 -8.488 1.00 0.35 H new ATOM 0 HD1 PHE B 59 147.663 5.327 -5.234 1.00 0.35 H new ATOM 0 HD2 PHE B 59 151.450 5.540 -7.251 1.00 0.37 H new ATOM 0 HE1 PHE B 59 148.833 5.234 -3.051 1.00 0.37 H new ATOM 0 HE2 PHE B 59 152.619 5.444 -5.068 1.00 0.38 H new ATOM 0 HZ PHE B 59 151.310 5.287 -2.966 1.00 0.37 H new ATOM 2339 N ARG B 60 150.574 7.681 -9.057 1.00 0.38 N ATOM 2340 CA ARG B 60 151.855 8.437 -9.065 1.00 0.39 C ATOM 2341 C ARG B 60 151.587 9.939 -8.954 1.00 0.40 C ATOM 2342 O ARG B 60 152.185 10.617 -8.141 1.00 0.39 O ATOM 2343 CB ARG B 60 152.619 8.150 -10.366 1.00 0.43 C ATOM 2344 CG ARG B 60 153.229 6.746 -10.312 1.00 0.44 C ATOM 2345 CD ARG B 60 153.849 6.402 -11.669 1.00 0.51 C ATOM 2346 NE ARG B 60 154.549 5.086 -11.572 1.00 1.31 N ATOM 2347 CZ ARG B 60 154.951 4.476 -12.656 1.00 1.54 C ATOM 2348 NH1 ARG B 60 154.764 5.029 -13.822 1.00 1.15 N ATOM 2349 NH2 ARG B 60 155.546 3.317 -12.572 1.00 2.64 N ATOM 0 H ARG B 60 150.394 7.115 -9.886 1.00 0.38 H new ATOM 0 HA ARG B 60 152.453 8.119 -8.211 1.00 0.39 H new ATOM 0 HB2 ARG B 60 151.945 8.231 -11.219 1.00 0.43 H new ATOM 0 HB3 ARG B 60 153.404 8.892 -10.508 1.00 0.43 H new ATOM 0 HG2 ARG B 60 153.988 6.698 -9.532 1.00 0.44 H new ATOM 0 HG3 ARG B 60 152.462 6.015 -10.056 1.00 0.44 H new ATOM 0 HD2 ARG B 60 153.075 6.360 -12.435 1.00 0.51 H new ATOM 0 HD3 ARG B 60 154.552 7.180 -11.968 1.00 0.51 H new ATOM 0 HE ARG B 60 154.714 4.663 -10.659 1.00 1.31 H new ATOM 0 HH11 ARG B 60 154.304 5.937 -13.888 1.00 1.15 H new ATOM 0 HH12 ARG B 60 155.078 4.553 -14.668 1.00 1.15 H new ATOM 0 HH21 ARG B 60 155.698 2.886 -11.660 1.00 2.64 H new ATOM 0 HH22 ARG B 60 155.859 2.842 -13.419 1.00 2.64 H new ATOM 2363 N GLU B 61 150.698 10.477 -9.746 1.00 0.42 N ATOM 2364 CA GLU B 61 150.416 11.937 -9.648 1.00 0.44 C ATOM 2365 C GLU B 61 149.785 12.254 -8.290 1.00 0.42 C ATOM 2366 O GLU B 61 150.088 13.260 -7.680 1.00 0.43 O ATOM 2367 CB GLU B 61 149.453 12.349 -10.764 1.00 0.48 C ATOM 2368 CG GLU B 61 149.166 13.850 -10.664 1.00 1.30 C ATOM 2369 CD GLU B 61 148.348 14.296 -11.876 1.00 1.77 C ATOM 2370 OE1 GLU B 61 148.059 13.457 -12.713 1.00 2.33 O ATOM 2371 OE2 GLU B 61 148.024 15.470 -11.946 1.00 2.38 O ATOM 0 H GLU B 61 150.159 9.973 -10.451 1.00 0.42 H new ATOM 0 HA GLU B 61 151.350 12.489 -9.749 1.00 0.44 H new ATOM 0 HB2 GLU B 61 149.886 12.115 -11.737 1.00 0.48 H new ATOM 0 HB3 GLU B 61 148.524 11.784 -10.684 1.00 0.48 H new ATOM 0 HG2 GLU B 61 148.621 14.066 -9.745 1.00 1.30 H new ATOM 0 HG3 GLU B 61 150.102 14.407 -10.619 1.00 1.30 H new ATOM 2378 N TRP B 62 148.908 11.420 -7.811 1.00 0.40 N ATOM 2379 CA TRP B 62 148.266 11.701 -6.494 1.00 0.39 C ATOM 2380 C TRP B 62 149.314 11.743 -5.379 1.00 0.36 C ATOM 2381 O TRP B 62 149.353 12.663 -4.588 1.00 0.36 O ATOM 2382 CB TRP B 62 147.225 10.612 -6.176 1.00 0.38 C ATOM 2383 CG TRP B 62 146.759 10.757 -4.756 1.00 0.36 C ATOM 2384 CD1 TRP B 62 145.774 11.583 -4.331 1.00 0.39 C ATOM 2385 CD2 TRP B 62 147.265 10.080 -3.569 1.00 0.34 C ATOM 2386 NE1 TRP B 62 145.643 11.452 -2.958 1.00 0.37 N ATOM 2387 CE2 TRP B 62 146.542 10.536 -2.443 1.00 0.34 C ATOM 2388 CE3 TRP B 62 148.273 9.121 -3.366 1.00 0.32 C ATOM 2389 CZ2 TRP B 62 146.811 10.056 -1.158 1.00 0.34 C ATOM 2390 CZ3 TRP B 62 148.545 8.637 -2.076 1.00 0.31 C ATOM 2391 CH2 TRP B 62 147.816 9.104 -0.976 1.00 0.32 C ATOM 0 H TRP B 62 148.607 10.560 -8.269 1.00 0.40 H new ATOM 0 HA TRP B 62 147.775 12.672 -6.552 1.00 0.39 H new ATOM 0 HB2 TRP B 62 146.378 10.695 -6.857 1.00 0.38 H new ATOM 0 HB3 TRP B 62 147.660 9.624 -6.327 1.00 0.38 H new ATOM 0 HD1 TRP B 62 145.187 12.237 -4.959 1.00 0.39 H new ATOM 0 HE1 TRP B 62 144.966 11.968 -2.396 1.00 0.37 H new ATOM 0 HE3 TRP B 62 148.842 8.754 -4.208 1.00 0.32 H new ATOM 0 HZ2 TRP B 62 146.246 10.419 -0.312 1.00 0.34 H new ATOM 0 HZ3 TRP B 62 149.321 7.900 -1.932 1.00 0.31 H new ATOM 0 HH2 TRP B 62 148.031 8.728 0.013 1.00 0.32 H new ATOM 2402 N LEU B 63 150.154 10.754 -5.300 1.00 0.34 N ATOM 2403 CA LEU B 63 151.180 10.745 -4.223 1.00 0.32 C ATOM 2404 C LEU B 63 152.203 11.858 -4.464 1.00 0.33 C ATOM 2405 O LEU B 63 152.523 12.624 -3.575 1.00 0.32 O ATOM 2406 CB LEU B 63 151.877 9.377 -4.204 1.00 0.31 C ATOM 2407 CG LEU B 63 152.944 9.333 -3.103 1.00 0.30 C ATOM 2408 CD1 LEU B 63 152.306 9.599 -1.728 1.00 0.30 C ATOM 2409 CD2 LEU B 63 153.598 7.946 -3.106 1.00 0.32 C ATOM 0 H LEU B 63 150.176 9.953 -5.932 1.00 0.34 H new ATOM 0 HA LEU B 63 150.701 10.920 -3.260 1.00 0.32 H new ATOM 0 HB2 LEU B 63 151.142 8.590 -4.038 1.00 0.31 H new ATOM 0 HB3 LEU B 63 152.337 9.183 -5.173 1.00 0.31 H new ATOM 0 HG LEU B 63 153.692 10.102 -3.293 1.00 0.30 H new ATOM 0 HD11 LEU B 63 153.076 9.565 -0.957 1.00 0.30 H new ATOM 0 HD12 LEU B 63 151.837 10.583 -1.729 1.00 0.30 H new ATOM 0 HD13 LEU B 63 151.553 8.838 -1.523 1.00 0.30 H new ATOM 0 HD21 LEU B 63 154.359 7.901 -2.327 1.00 0.32 H new ATOM 0 HD22 LEU B 63 152.840 7.186 -2.917 1.00 0.32 H new ATOM 0 HD23 LEU B 63 154.060 7.764 -4.076 1.00 0.32 H new ATOM 2421 N LYS B 64 152.718 11.957 -5.657 1.00 0.35 N ATOM 2422 CA LYS B 64 153.719 13.020 -5.964 1.00 0.37 C ATOM 2423 C LYS B 64 153.084 14.398 -5.776 1.00 0.38 C ATOM 2424 O LYS B 64 153.649 15.279 -5.158 1.00 0.38 O ATOM 2425 CB LYS B 64 154.197 12.863 -7.408 1.00 0.41 C ATOM 2426 CG LYS B 64 155.313 13.870 -7.702 1.00 0.43 C ATOM 2427 CD LYS B 64 155.794 13.674 -9.140 1.00 0.68 C ATOM 2428 CE LYS B 64 156.937 14.643 -9.446 1.00 1.24 C ATOM 2429 NZ LYS B 64 157.623 14.215 -10.698 1.00 2.10 N ATOM 0 H LYS B 64 152.488 11.344 -6.439 1.00 0.35 H new ATOM 0 HA LYS B 64 154.569 12.925 -5.288 1.00 0.37 H new ATOM 0 HB2 LYS B 64 154.559 11.848 -7.572 1.00 0.41 H new ATOM 0 HB3 LYS B 64 153.365 13.019 -8.094 1.00 0.41 H new ATOM 0 HG2 LYS B 64 154.948 14.888 -7.562 1.00 0.43 H new ATOM 0 HG3 LYS B 64 156.140 13.729 -7.006 1.00 0.43 H new ATOM 0 HD2 LYS B 64 156.129 12.647 -9.283 1.00 0.68 H new ATOM 0 HD3 LYS B 64 154.970 13.840 -9.834 1.00 0.68 H new ATOM 0 HE2 LYS B 64 156.550 15.656 -9.557 1.00 1.24 H new ATOM 0 HE3 LYS B 64 157.645 14.661 -8.618 1.00 1.24 H new ATOM 0 HZ1 LYS B 64 158.401 14.872 -10.909 1.00 2.10 H new ATOM 0 HZ2 LYS B 64 158.004 13.255 -10.574 1.00 2.10 H new ATOM 0 HZ3 LYS B 64 156.943 14.219 -11.485 1.00 2.10 H new ATOM 2443 N ASP B 65 151.911 14.585 -6.310 1.00 0.41 N ATOM 2444 CA ASP B 65 151.223 15.899 -6.176 1.00 0.44 C ATOM 2445 C ASP B 65 150.804 16.114 -4.722 1.00 0.43 C ATOM 2446 O ASP B 65 150.706 17.231 -4.253 1.00 0.45 O ATOM 2447 CB ASP B 65 149.985 15.925 -7.075 1.00 0.48 C ATOM 2448 CG ASP B 65 149.385 17.332 -7.082 1.00 1.17 C ATOM 2449 OD1 ASP B 65 149.165 17.866 -6.008 1.00 1.90 O ATOM 2450 OD2 ASP B 65 149.155 17.851 -8.161 1.00 1.41 O ATOM 0 H ASP B 65 151.395 13.880 -6.837 1.00 0.41 H new ATOM 0 HA ASP B 65 151.905 16.694 -6.477 1.00 0.44 H new ATOM 0 HB2 ASP B 65 150.253 15.628 -8.089 1.00 0.48 H new ATOM 0 HB3 ASP B 65 149.248 15.206 -6.717 1.00 0.48 H new ATOM 2455 N THR B 66 150.525 15.054 -4.012 1.00 0.39 N ATOM 2456 CA THR B 66 150.079 15.199 -2.598 1.00 0.39 C ATOM 2457 C THR B 66 151.272 15.430 -1.666 1.00 0.38 C ATOM 2458 O THR B 66 151.132 16.095 -0.658 1.00 0.40 O ATOM 2459 CB THR B 66 149.328 13.937 -2.162 1.00 0.37 C ATOM 2460 OG1 THR B 66 148.140 13.808 -2.933 1.00 0.37 O ATOM 2461 CG2 THR B 66 148.962 14.042 -0.680 1.00 0.38 C ATOM 0 H THR B 66 150.587 14.094 -4.351 1.00 0.39 H new ATOM 0 HA THR B 66 149.419 16.064 -2.535 1.00 0.39 H new ATOM 0 HB THR B 66 149.964 13.065 -2.316 1.00 0.37 H new ATOM 0 HG1 THR B 66 148.371 13.552 -3.850 1.00 0.37 H new ATOM 0 HG21 THR B 66 148.428 13.143 -0.373 1.00 0.38 H new ATOM 0 HG22 THR B 66 149.871 14.145 -0.087 1.00 0.38 H new ATOM 0 HG23 THR B 66 148.326 14.913 -0.523 1.00 0.38 H new ATOM 2469 N CYS B 67 152.433 14.873 -1.948 1.00 0.36 N ATOM 2470 CA CYS B 67 153.601 15.056 -1.020 1.00 0.37 C ATOM 2471 C CYS B 67 154.881 15.439 -1.774 1.00 0.37 C ATOM 2472 O CYS B 67 155.691 16.196 -1.277 1.00 0.39 O ATOM 2473 CB CYS B 67 153.842 13.746 -0.267 1.00 0.36 C ATOM 2474 SG CYS B 67 154.328 12.455 -1.439 1.00 0.36 S ATOM 0 H CYS B 67 152.620 14.304 -2.774 1.00 0.36 H new ATOM 0 HA CYS B 67 153.362 15.867 -0.333 1.00 0.37 H new ATOM 0 HB2 CYS B 67 154.621 13.883 0.483 1.00 0.36 H new ATOM 0 HB3 CYS B 67 152.938 13.448 0.264 1.00 0.36 H new ATOM 0 HG CYS B 67 153.750 12.668 -2.584 1.00 0.36 H new ATOM 2480 N GLY B 68 155.076 14.916 -2.962 1.00 0.35 N ATOM 2481 CA GLY B 68 156.313 15.238 -3.750 1.00 0.36 C ATOM 2482 C GLY B 68 157.191 13.985 -3.849 1.00 0.34 C ATOM 2483 O GLY B 68 158.359 14.063 -4.176 1.00 0.33 O ATOM 0 H GLY B 68 154.429 14.276 -3.423 1.00 0.35 H new ATOM 0 HA2 GLY B 68 156.043 15.586 -4.747 1.00 0.36 H new ATOM 0 HA3 GLY B 68 156.865 16.046 -3.269 1.00 0.36 H new ATOM 2487 N ALA B 69 156.643 12.830 -3.574 1.00 0.32 N ATOM 2488 CA ALA B 69 157.446 11.575 -3.656 1.00 0.31 C ATOM 2489 C ALA B 69 158.140 11.493 -5.017 1.00 0.31 C ATOM 2490 O ALA B 69 157.675 12.041 -5.995 1.00 0.32 O ATOM 2491 CB ALA B 69 156.519 10.371 -3.488 1.00 0.31 C ATOM 0 H ALA B 69 155.670 12.702 -3.295 1.00 0.32 H new ATOM 0 HA ALA B 69 158.198 11.575 -2.867 1.00 0.31 H new ATOM 0 HB1 ALA B 69 157.102 9.452 -3.547 1.00 0.31 H new ATOM 0 HB2 ALA B 69 156.024 10.425 -2.518 1.00 0.31 H new ATOM 0 HB3 ALA B 69 155.769 10.376 -4.279 1.00 0.31 H new ATOM 2497 N ASN B 70 159.261 10.822 -5.084 1.00 0.29 N ATOM 2498 CA ASN B 70 159.998 10.715 -6.378 1.00 0.29 C ATOM 2499 C ASN B 70 159.524 9.482 -7.149 1.00 0.29 C ATOM 2500 O ASN B 70 158.747 8.685 -6.660 1.00 0.29 O ATOM 2501 CB ASN B 70 161.494 10.573 -6.095 1.00 0.29 C ATOM 2502 CG ASN B 70 161.965 11.735 -5.221 1.00 1.07 C ATOM 2503 OD1 ASN B 70 162.688 11.536 -4.264 1.00 1.91 O ATOM 2504 ND2 ASN B 70 161.581 12.947 -5.508 1.00 1.78 N ATOM 0 H ASN B 70 159.698 10.343 -4.297 1.00 0.29 H new ATOM 0 HA ASN B 70 159.809 11.610 -6.971 1.00 0.29 H new ATOM 0 HB2 ASN B 70 161.691 9.625 -5.594 1.00 0.29 H new ATOM 0 HB3 ASN B 70 162.052 10.560 -7.031 1.00 0.29 H new ATOM 0 HD21 ASN B 70 161.887 13.729 -4.930 1.00 1.78 H new ATOM 0 HD22 ASN B 70 160.974 13.113 -6.311 1.00 1.78 H new ATOM 2511 N ALA B 71 159.987 9.327 -8.359 1.00 0.31 N ATOM 2512 CA ALA B 71 159.575 8.156 -9.182 1.00 0.33 C ATOM 2513 C ALA B 71 160.017 6.857 -8.506 1.00 0.31 C ATOM 2514 O ALA B 71 159.347 5.848 -8.587 1.00 0.31 O ATOM 2515 CB ALA B 71 160.228 8.252 -10.560 1.00 0.38 C ATOM 0 H ALA B 71 160.638 9.966 -8.816 1.00 0.31 H new ATOM 0 HA ALA B 71 158.490 8.156 -9.283 1.00 0.33 H new ATOM 0 HB1 ALA B 71 159.928 7.396 -11.165 1.00 0.38 H new ATOM 0 HB2 ALA B 71 159.910 9.172 -11.050 1.00 0.38 H new ATOM 0 HB3 ALA B 71 161.312 8.256 -10.449 1.00 0.38 H new ATOM 2521 N LYS B 72 161.139 6.869 -7.843 1.00 0.29 N ATOM 2522 CA LYS B 72 161.611 5.625 -7.175 1.00 0.28 C ATOM 2523 C LYS B 72 160.728 5.327 -5.964 1.00 0.26 C ATOM 2524 O LYS B 72 160.399 4.192 -5.680 1.00 0.26 O ATOM 2525 CB LYS B 72 163.061 5.804 -6.723 1.00 0.28 C ATOM 2526 CG LYS B 72 163.617 4.464 -6.238 1.00 1.18 C ATOM 2527 CD LYS B 72 165.066 4.649 -5.788 1.00 1.28 C ATOM 2528 CE LYS B 72 165.626 3.311 -5.303 1.00 2.10 C ATOM 2529 NZ LYS B 72 167.070 3.471 -4.974 1.00 2.57 N ATOM 0 H LYS B 72 161.747 7.681 -7.735 1.00 0.29 H new ATOM 0 HA LYS B 72 161.553 4.793 -7.877 1.00 0.28 H new ATOM 0 HB2 LYS B 72 163.665 6.183 -7.547 1.00 0.28 H new ATOM 0 HB3 LYS B 72 163.115 6.542 -5.923 1.00 0.28 H new ATOM 0 HG2 LYS B 72 163.014 4.085 -5.413 1.00 1.18 H new ATOM 0 HG3 LYS B 72 163.564 3.725 -7.038 1.00 1.18 H new ATOM 0 HD2 LYS B 72 165.668 5.029 -6.613 1.00 1.28 H new ATOM 0 HD3 LYS B 72 165.118 5.388 -4.988 1.00 1.28 H new ATOM 0 HE2 LYS B 72 165.077 2.971 -4.425 1.00 2.10 H new ATOM 0 HE3 LYS B 72 165.499 2.550 -6.073 1.00 2.10 H new ATOM 0 HZ1 LYS B 72 167.454 2.562 -4.644 1.00 2.57 H new ATOM 0 HZ2 LYS B 72 167.587 3.777 -5.822 1.00 2.57 H new ATOM 0 HZ3 LYS B 72 167.179 4.185 -4.226 1.00 2.57 H new ATOM 2543 N GLN B 73 160.361 6.346 -5.235 1.00 0.25 N ATOM 2544 CA GLN B 73 159.520 6.149 -4.024 1.00 0.24 C ATOM 2545 C GLN B 73 158.135 5.650 -4.419 1.00 0.25 C ATOM 2546 O GLN B 73 157.558 4.806 -3.761 1.00 0.25 O ATOM 2547 CB GLN B 73 159.398 7.478 -3.276 1.00 0.26 C ATOM 2548 CG GLN B 73 160.770 7.885 -2.730 1.00 0.28 C ATOM 2549 CD GLN B 73 161.211 6.897 -1.646 1.00 1.25 C ATOM 2550 OE1 GLN B 73 162.292 6.347 -1.713 1.00 2.12 O ATOM 2551 NE2 GLN B 73 160.413 6.647 -0.647 1.00 1.89 N ATOM 0 H GLN B 73 160.611 7.315 -5.430 1.00 0.25 H new ATOM 0 HA GLN B 73 159.987 5.405 -3.379 1.00 0.24 H new ATOM 0 HB2 GLN B 73 159.017 8.250 -3.945 1.00 0.26 H new ATOM 0 HB3 GLN B 73 158.683 7.383 -2.459 1.00 0.26 H new ATOM 0 HG2 GLN B 73 161.502 7.904 -3.537 1.00 0.28 H new ATOM 0 HG3 GLN B 73 160.723 8.893 -2.319 1.00 0.28 H new ATOM 0 HE21 GLN B 73 159.505 7.109 -0.591 1.00 1.89 H new ATOM 0 HE22 GLN B 73 160.696 5.989 0.079 1.00 1.89 H new ATOM 2560 N SER B 74 157.593 6.161 -5.490 1.00 0.26 N ATOM 2561 CA SER B 74 156.246 5.713 -5.925 1.00 0.27 C ATOM 2562 C SER B 74 156.285 4.228 -6.277 1.00 0.26 C ATOM 2563 O SER B 74 155.357 3.493 -6.005 1.00 0.26 O ATOM 2564 CB SER B 74 155.808 6.502 -7.157 1.00 0.30 C ATOM 2565 OG SER B 74 155.652 7.872 -6.809 1.00 1.36 O ATOM 0 H SER B 74 158.027 6.870 -6.081 1.00 0.26 H new ATOM 0 HA SER B 74 155.540 5.882 -5.112 1.00 0.27 H new ATOM 0 HB2 SER B 74 156.548 6.399 -7.951 1.00 0.30 H new ATOM 0 HB3 SER B 74 154.869 6.104 -7.543 1.00 0.30 H new ATOM 0 HG SER B 74 156.534 8.289 -6.718 1.00 1.36 H new ATOM 2571 N ARG B 75 157.348 3.777 -6.894 1.00 0.27 N ATOM 2572 CA ARG B 75 157.447 2.344 -7.281 1.00 0.27 C ATOM 2573 C ARG B 75 157.358 1.469 -6.034 1.00 0.26 C ATOM 2574 O ARG B 75 156.752 0.417 -6.056 1.00 0.26 O ATOM 2575 CB ARG B 75 158.805 2.112 -7.955 1.00 0.29 C ATOM 2576 CG ARG B 75 158.867 2.840 -9.308 1.00 0.32 C ATOM 2577 CD ARG B 75 158.165 2.021 -10.397 1.00 0.61 C ATOM 2578 NE ARG B 75 158.434 2.641 -11.724 1.00 1.35 N ATOM 2579 CZ ARG B 75 158.249 1.949 -12.813 1.00 1.82 C ATOM 2580 NH1 ARG B 75 157.845 0.711 -12.737 1.00 1.89 N ATOM 2581 NH2 ARG B 75 158.475 2.494 -13.979 1.00 2.81 N ATOM 0 H ARG B 75 158.155 4.347 -7.146 1.00 0.27 H new ATOM 0 HA ARG B 75 156.635 2.089 -7.962 1.00 0.27 H new ATOM 0 HB2 ARG B 75 159.605 2.469 -7.306 1.00 0.29 H new ATOM 0 HB3 ARG B 75 158.967 1.044 -8.102 1.00 0.29 H new ATOM 0 HG2 ARG B 75 158.396 3.819 -9.222 1.00 0.32 H new ATOM 0 HG3 ARG B 75 159.907 3.010 -9.588 1.00 0.32 H new ATOM 0 HD2 ARG B 75 158.524 0.992 -10.383 1.00 0.61 H new ATOM 0 HD3 ARG B 75 157.092 1.987 -10.209 1.00 0.61 H new ATOM 0 HE ARG B 75 158.762 3.605 -11.781 1.00 1.35 H new ATOM 0 HH11 ARG B 75 157.674 0.285 -11.826 1.00 1.89 H new ATOM 0 HH12 ARG B 75 157.700 0.169 -13.589 1.00 1.89 H new ATOM 0 HH21 ARG B 75 158.796 3.460 -14.037 1.00 2.81 H new ATOM 0 HH22 ARG B 75 158.330 1.953 -14.831 1.00 2.81 H new ATOM 2595 N ASP B 76 157.975 1.863 -4.954 1.00 0.24 N ATOM 2596 CA ASP B 76 157.945 1.022 -3.728 1.00 0.24 C ATOM 2597 C ASP B 76 156.544 1.003 -3.120 1.00 0.22 C ATOM 2598 O ASP B 76 156.076 -0.024 -2.671 1.00 0.22 O ATOM 2599 CB ASP B 76 158.931 1.593 -2.706 1.00 0.23 C ATOM 2600 CG ASP B 76 160.364 1.357 -3.193 1.00 0.25 C ATOM 2601 OD1 ASP B 76 160.556 0.458 -3.994 1.00 0.40 O ATOM 2602 OD2 ASP B 76 161.242 2.085 -2.759 1.00 0.39 O ATOM 0 H ASP B 76 158.500 2.734 -4.869 1.00 0.24 H new ATOM 0 HA ASP B 76 158.223 0.002 -3.994 1.00 0.24 H new ATOM 0 HB2 ASP B 76 158.753 2.660 -2.569 1.00 0.23 H new ATOM 0 HB3 ASP B 76 158.782 1.118 -1.736 1.00 0.23 H new ATOM 2607 N CYS B 77 155.855 2.111 -3.105 1.00 0.22 N ATOM 2608 CA CYS B 77 154.484 2.104 -2.530 1.00 0.21 C ATOM 2609 C CYS B 77 153.537 1.325 -3.446 1.00 0.22 C ATOM 2610 O CYS B 77 152.675 0.607 -2.981 1.00 0.21 O ATOM 2611 CB CYS B 77 153.979 3.541 -2.382 1.00 0.22 C ATOM 2612 SG CYS B 77 154.901 4.371 -1.064 1.00 0.23 S ATOM 0 H CYS B 77 156.179 3.010 -3.462 1.00 0.22 H new ATOM 0 HA CYS B 77 154.513 1.625 -1.551 1.00 0.21 H new ATOM 0 HB2 CYS B 77 154.102 4.080 -3.322 1.00 0.22 H new ATOM 0 HB3 CYS B 77 152.914 3.542 -2.151 1.00 0.22 H new ATOM 0 HG CYS B 77 155.499 3.483 -0.327 1.00 0.23 H new ATOM 2618 N PHE B 78 153.661 1.473 -4.739 1.00 0.23 N ATOM 2619 CA PHE B 78 152.727 0.746 -5.641 1.00 0.25 C ATOM 2620 C PHE B 78 152.874 -0.764 -5.446 1.00 0.24 C ATOM 2621 O PHE B 78 151.936 -1.447 -5.089 1.00 0.23 O ATOM 2622 CB PHE B 78 153.033 1.119 -7.093 1.00 0.28 C ATOM 2623 CG PHE B 78 152.088 0.386 -8.012 1.00 0.32 C ATOM 2624 CD1 PHE B 78 150.853 0.956 -8.339 1.00 0.36 C ATOM 2625 CD2 PHE B 78 152.449 -0.857 -8.543 1.00 0.38 C ATOM 2626 CE1 PHE B 78 149.975 0.281 -9.196 1.00 0.40 C ATOM 2627 CE2 PHE B 78 151.572 -1.532 -9.400 1.00 0.43 C ATOM 2628 CZ PHE B 78 150.334 -0.963 -9.726 1.00 0.42 C ATOM 0 H PHE B 78 154.358 2.057 -5.202 1.00 0.23 H new ATOM 0 HA PHE B 78 151.702 1.029 -5.402 1.00 0.25 H new ATOM 0 HB2 PHE B 78 152.931 2.195 -7.232 1.00 0.28 H new ATOM 0 HB3 PHE B 78 154.064 0.863 -7.336 1.00 0.28 H new ATOM 0 HD1 PHE B 78 150.577 1.917 -7.930 1.00 0.36 H new ATOM 0 HD2 PHE B 78 153.404 -1.295 -8.292 1.00 0.38 H new ATOM 0 HE1 PHE B 78 149.021 0.721 -9.448 1.00 0.40 H new ATOM 0 HE2 PHE B 78 151.850 -2.492 -9.810 1.00 0.43 H new ATOM 0 HZ PHE B 78 149.657 -1.485 -10.386 1.00 0.42 H new ATOM 2638 N GLY B 79 154.042 -1.290 -5.686 1.00 0.25 N ATOM 2639 CA GLY B 79 154.250 -2.758 -5.526 1.00 0.25 C ATOM 2640 C GLY B 79 154.014 -3.177 -4.071 1.00 0.23 C ATOM 2641 O GLY B 79 153.562 -4.267 -3.796 1.00 0.24 O ATOM 0 H GLY B 79 154.864 -0.766 -5.987 1.00 0.25 H new ATOM 0 HA2 GLY B 79 153.570 -3.301 -6.182 1.00 0.25 H new ATOM 0 HA3 GLY B 79 155.264 -3.023 -5.827 1.00 0.25 H new ATOM 2645 N CYS B 80 154.315 -2.322 -3.138 1.00 0.22 N ATOM 2646 CA CYS B 80 154.100 -2.690 -1.710 1.00 0.21 C ATOM 2647 C CYS B 80 152.600 -2.785 -1.422 1.00 0.21 C ATOM 2648 O CYS B 80 152.125 -3.760 -0.875 1.00 0.22 O ATOM 2649 CB CYS B 80 154.729 -1.623 -0.813 1.00 0.22 C ATOM 2650 SG CYS B 80 154.357 -1.995 0.920 1.00 0.24 S ATOM 0 H CYS B 80 154.698 -1.390 -3.298 1.00 0.22 H new ATOM 0 HA CYS B 80 154.564 -3.655 -1.509 1.00 0.21 H new ATOM 0 HB2 CYS B 80 155.808 -1.594 -0.966 1.00 0.22 H new ATOM 0 HB3 CYS B 80 154.343 -0.638 -1.076 1.00 0.22 H new ATOM 0 HG CYS B 80 154.089 -0.891 1.553 1.00 0.24 H new ATOM 2656 N LEU B 81 151.850 -1.790 -1.802 1.00 0.21 N ATOM 2657 CA LEU B 81 150.380 -1.850 -1.559 1.00 0.21 C ATOM 2658 C LEU B 81 149.757 -2.909 -2.476 1.00 0.21 C ATOM 2659 O LEU B 81 148.875 -3.644 -2.078 1.00 0.22 O ATOM 2660 CB LEU B 81 149.759 -0.486 -1.872 1.00 0.22 C ATOM 2661 CG LEU B 81 150.375 0.600 -0.970 1.00 0.24 C ATOM 2662 CD1 LEU B 81 150.171 1.973 -1.614 1.00 0.29 C ATOM 2663 CD2 LEU B 81 149.689 0.597 0.403 1.00 0.28 C ATOM 0 H LEU B 81 152.185 -0.945 -2.266 1.00 0.21 H new ATOM 0 HA LEU B 81 150.192 -2.109 -0.517 1.00 0.21 H new ATOM 0 HB2 LEU B 81 149.924 -0.235 -2.920 1.00 0.22 H new ATOM 0 HB3 LEU B 81 148.680 -0.526 -1.720 1.00 0.22 H new ATOM 0 HG LEU B 81 151.438 0.394 -0.849 1.00 0.24 H new ATOM 0 HD11 LEU B 81 150.607 2.742 -0.976 1.00 0.29 H new ATOM 0 HD12 LEU B 81 150.656 1.993 -2.590 1.00 0.29 H new ATOM 0 HD13 LEU B 81 149.105 2.163 -1.735 1.00 0.29 H new ATOM 0 HD21 LEU B 81 150.132 1.368 1.033 1.00 0.28 H new ATOM 0 HD22 LEU B 81 148.625 0.797 0.278 1.00 0.28 H new ATOM 0 HD23 LEU B 81 149.822 -0.377 0.874 1.00 0.28 H new ATOM 2675 N ARG B 82 150.202 -2.988 -3.703 1.00 0.22 N ATOM 2676 CA ARG B 82 149.623 -3.996 -4.638 1.00 0.24 C ATOM 2677 C ARG B 82 149.882 -5.400 -4.100 1.00 0.25 C ATOM 2678 O ARG B 82 149.036 -6.270 -4.171 1.00 0.26 O ATOM 2679 CB ARG B 82 150.273 -3.867 -6.017 1.00 0.28 C ATOM 2680 CG ARG B 82 149.608 -4.850 -6.988 1.00 0.32 C ATOM 2681 CD ARG B 82 150.256 -4.721 -8.362 1.00 0.85 C ATOM 2682 NE ARG B 82 151.690 -5.109 -8.253 1.00 1.42 N ATOM 2683 CZ ARG B 82 152.386 -5.350 -9.327 1.00 1.96 C ATOM 2684 NH1 ARG B 82 151.841 -5.210 -10.504 1.00 2.26 N ATOM 2685 NH2 ARG B 82 153.632 -5.723 -9.224 1.00 2.74 N ATOM 0 H ARG B 82 150.938 -2.401 -4.096 1.00 0.22 H new ATOM 0 HA ARG B 82 148.550 -3.821 -4.723 1.00 0.24 H new ATOM 0 HB2 ARG B 82 150.168 -2.847 -6.386 1.00 0.28 H new ATOM 0 HB3 ARG B 82 151.341 -4.073 -5.948 1.00 0.28 H new ATOM 0 HG2 ARG B 82 149.713 -5.870 -6.619 1.00 0.32 H new ATOM 0 HG3 ARG B 82 148.540 -4.644 -7.057 1.00 0.32 H new ATOM 0 HD2 ARG B 82 149.745 -5.361 -9.082 1.00 0.85 H new ATOM 0 HD3 ARG B 82 150.168 -3.697 -8.726 1.00 0.85 H new ATOM 0 HE ARG B 82 152.128 -5.186 -7.335 1.00 1.42 H new ATOM 0 HH11 ARG B 82 150.869 -4.912 -10.584 1.00 2.26 H new ATOM 0 HH12 ARG B 82 152.387 -5.399 -11.345 1.00 2.26 H new ATOM 0 HH21 ARG B 82 154.059 -5.825 -8.303 1.00 2.74 H new ATOM 0 HH22 ARG B 82 154.179 -5.912 -10.064 1.00 2.74 H new ATOM 2699 N GLU B 83 151.048 -5.636 -3.573 1.00 0.25 N ATOM 2700 CA GLU B 83 151.366 -6.986 -3.042 1.00 0.27 C ATOM 2701 C GLU B 83 150.555 -7.258 -1.774 1.00 0.27 C ATOM 2702 O GLU B 83 150.071 -8.355 -1.575 1.00 0.28 O ATOM 2703 CB GLU B 83 152.867 -7.085 -2.752 1.00 0.29 C ATOM 2704 CG GLU B 83 153.643 -7.159 -4.074 1.00 0.33 C ATOM 2705 CD GLU B 83 153.393 -8.514 -4.739 1.00 1.20 C ATOM 2706 OE1 GLU B 83 153.181 -9.475 -4.019 1.00 1.91 O ATOM 2707 OE2 GLU B 83 153.418 -8.566 -5.958 1.00 1.57 O ATOM 0 H GLU B 83 151.797 -4.949 -3.487 1.00 0.25 H new ATOM 0 HA GLU B 83 151.101 -7.737 -3.786 1.00 0.27 H new ATOM 0 HB2 GLU B 83 153.194 -6.220 -2.175 1.00 0.29 H new ATOM 0 HB3 GLU B 83 153.073 -7.968 -2.148 1.00 0.29 H new ATOM 0 HG2 GLU B 83 153.329 -6.353 -4.738 1.00 0.33 H new ATOM 0 HG3 GLU B 83 154.709 -7.024 -3.890 1.00 0.33 H new ATOM 2714 N TRP B 84 150.366 -6.283 -0.918 1.00 0.25 N ATOM 2715 CA TRP B 84 149.550 -6.530 0.303 1.00 0.25 C ATOM 2716 C TRP B 84 148.134 -6.909 -0.123 1.00 0.26 C ATOM 2717 O TRP B 84 147.546 -7.843 0.381 1.00 0.28 O ATOM 2718 CB TRP B 84 149.486 -5.271 1.167 1.00 0.25 C ATOM 2719 CG TRP B 84 148.735 -5.584 2.425 1.00 0.27 C ATOM 2720 CD1 TRP B 84 149.302 -6.031 3.567 1.00 0.30 C ATOM 2721 CD2 TRP B 84 147.299 -5.504 2.687 1.00 0.29 C ATOM 2722 NE1 TRP B 84 148.315 -6.223 4.514 1.00 0.32 N ATOM 2723 CE2 TRP B 84 147.064 -5.912 4.022 1.00 0.32 C ATOM 2724 CE3 TRP B 84 146.191 -5.118 1.909 1.00 0.31 C ATOM 2725 CZ2 TRP B 84 145.779 -5.939 4.566 1.00 0.35 C ATOM 2726 CZ3 TRP B 84 144.893 -5.145 2.455 1.00 0.35 C ATOM 2727 CH2 TRP B 84 144.691 -5.556 3.780 1.00 0.36 C ATOM 0 H TRP B 84 150.738 -5.338 -1.013 1.00 0.25 H new ATOM 0 HA TRP B 84 150.007 -7.333 0.881 1.00 0.25 H new ATOM 0 HB2 TRP B 84 150.492 -4.925 1.405 1.00 0.25 H new ATOM 0 HB3 TRP B 84 148.992 -4.465 0.624 1.00 0.25 H new ATOM 0 HD1 TRP B 84 150.357 -6.209 3.715 1.00 0.30 H new ATOM 0 HE1 TRP B 84 148.490 -6.555 5.463 1.00 0.32 H new ATOM 0 HE3 TRP B 84 146.337 -4.799 0.887 1.00 0.31 H new ATOM 0 HZ2 TRP B 84 145.628 -6.254 5.588 1.00 0.35 H new ATOM 0 HZ3 TRP B 84 144.049 -4.848 1.850 1.00 0.35 H new ATOM 0 HH2 TRP B 84 143.693 -5.576 4.193 1.00 0.36 H new ATOM 2738 N CYS B 85 147.575 -6.165 -1.041 1.00 0.27 N ATOM 2739 CA CYS B 85 146.188 -6.462 -1.488 1.00 0.30 C ATOM 2740 C CYS B 85 146.126 -7.874 -2.071 1.00 0.33 C ATOM 2741 O CYS B 85 145.185 -8.609 -1.849 1.00 0.36 O ATOM 2742 CB CYS B 85 145.764 -5.448 -2.557 1.00 0.33 C ATOM 2743 SG CYS B 85 145.364 -3.870 -1.767 1.00 0.33 S ATOM 0 H CYS B 85 148.019 -5.368 -1.497 1.00 0.27 H new ATOM 0 HA CYS B 85 145.513 -6.393 -0.635 1.00 0.30 H new ATOM 0 HB2 CYS B 85 146.566 -5.311 -3.282 1.00 0.33 H new ATOM 0 HB3 CYS B 85 144.899 -5.822 -3.105 1.00 0.33 H new ATOM 0 HG CYS B 85 145.007 -3.009 -2.673 1.00 0.33 H new ATOM 2749 N ASP B 86 147.126 -8.258 -2.808 1.00 0.34 N ATOM 2750 CA ASP B 86 147.133 -9.619 -3.406 1.00 0.40 C ATOM 2751 C ASP B 86 147.050 -10.665 -2.291 1.00 0.41 C ATOM 2752 O ASP B 86 146.524 -11.744 -2.477 1.00 0.43 O ATOM 2753 CB ASP B 86 148.429 -9.820 -4.194 1.00 0.42 C ATOM 2754 CG ASP B 86 148.404 -8.945 -5.450 1.00 0.43 C ATOM 2755 OD1 ASP B 86 147.319 -8.586 -5.878 1.00 0.55 O ATOM 2756 OD2 ASP B 86 149.472 -8.646 -5.959 1.00 0.52 O ATOM 0 H ASP B 86 147.943 -7.686 -3.023 1.00 0.34 H new ATOM 0 HA ASP B 86 146.278 -9.729 -4.073 1.00 0.40 H new ATOM 0 HB2 ASP B 86 149.288 -9.561 -3.575 1.00 0.42 H new ATOM 0 HB3 ASP B 86 148.540 -10.868 -4.470 1.00 0.42 H new ATOM 2761 N ALA B 87 147.587 -10.359 -1.138 1.00 0.40 N ATOM 2762 CA ALA B 87 147.563 -11.343 -0.011 1.00 0.43 C ATOM 2763 C ALA B 87 146.344 -11.114 0.896 1.00 0.43 C ATOM 2764 O ALA B 87 145.801 -12.047 1.455 1.00 0.47 O ATOM 2765 CB ALA B 87 148.843 -11.184 0.815 1.00 0.40 C ATOM 0 H ALA B 87 148.041 -9.471 -0.927 1.00 0.40 H new ATOM 0 HA ALA B 87 147.498 -12.349 -0.427 1.00 0.43 H new ATOM 0 HB1 ALA B 87 148.835 -11.897 1.639 1.00 0.40 H new ATOM 0 HB2 ALA B 87 149.710 -11.371 0.182 1.00 0.40 H new ATOM 0 HB3 ALA B 87 148.896 -10.170 1.213 1.00 0.40 H new ATOM 2771 N PHE B 88 145.939 -9.879 1.087 1.00 0.39 N ATOM 2772 CA PHE B 88 144.785 -9.584 2.009 1.00 0.44 C ATOM 2773 C PHE B 88 143.518 -9.154 1.253 1.00 0.54 C ATOM 2774 O PHE B 88 142.479 -8.983 1.860 1.00 1.24 O ATOM 2775 CB PHE B 88 145.179 -8.441 2.946 1.00 0.41 C ATOM 2776 CG PHE B 88 146.223 -8.896 3.933 1.00 0.38 C ATOM 2777 CD1 PHE B 88 147.582 -8.777 3.620 1.00 0.35 C ATOM 2778 CD2 PHE B 88 145.832 -9.412 5.175 1.00 0.43 C ATOM 2779 CE1 PHE B 88 148.550 -9.173 4.549 1.00 0.39 C ATOM 2780 CE2 PHE B 88 146.801 -9.814 6.101 1.00 0.46 C ATOM 2781 CZ PHE B 88 148.160 -9.693 5.789 1.00 0.44 C ATOM 0 H PHE B 88 146.356 -9.060 0.645 1.00 0.39 H new ATOM 0 HA PHE B 88 144.565 -10.503 2.552 1.00 0.44 H new ATOM 0 HB2 PHE B 88 145.563 -7.603 2.364 1.00 0.41 H new ATOM 0 HB3 PHE B 88 144.299 -8.082 3.480 1.00 0.41 H new ATOM 0 HD1 PHE B 88 147.883 -8.380 2.662 1.00 0.35 H new ATOM 0 HD2 PHE B 88 144.783 -9.500 5.418 1.00 0.43 H new ATOM 0 HE1 PHE B 88 149.599 -9.078 4.310 1.00 0.39 H new ATOM 0 HE2 PHE B 88 146.500 -10.218 7.056 1.00 0.46 H new ATOM 0 HZ PHE B 88 148.908 -10.001 6.505 1.00 0.44 H new ATOM 2791 N LEU B 89 143.567 -8.964 -0.042 1.00 0.39 N ATOM 2792 CA LEU B 89 142.330 -8.530 -0.776 1.00 0.36 C ATOM 2793 C LEU B 89 141.627 -9.761 -1.360 1.00 0.87 C ATOM 2794 O LEU B 89 140.408 -9.797 -1.320 1.00 1.43 O ATOM 2795 CB LEU B 89 142.720 -7.563 -1.907 1.00 0.74 C ATOM 2796 CG LEU B 89 141.509 -6.712 -2.339 1.00 0.47 C ATOM 2797 CD1 LEU B 89 141.222 -5.596 -1.311 1.00 1.00 C ATOM 2798 CD2 LEU B 89 141.806 -6.075 -3.703 1.00 1.27 C ATOM 2799 OXT LEU B 89 142.321 -10.645 -1.834 1.00 1.67 O ATOM 0 H LEU B 89 144.398 -9.088 -0.621 1.00 0.39 H new ATOM 0 HA LEU B 89 141.653 -8.023 -0.089 1.00 0.36 H new ATOM 0 HB2 LEU B 89 143.528 -6.912 -1.573 1.00 0.74 H new ATOM 0 HB3 LEU B 89 143.097 -8.127 -2.760 1.00 0.74 H new ATOM 0 HG LEU B 89 140.634 -7.359 -2.402 1.00 0.47 H new ATOM 0 HD11 LEU B 89 140.363 -5.011 -1.640 1.00 1.00 H new ATOM 0 HD12 LEU B 89 141.007 -6.042 -0.340 1.00 1.00 H new ATOM 0 HD13 LEU B 89 142.093 -4.946 -1.227 1.00 1.00 H new ATOM 0 HD21 LEU B 89 140.954 -5.471 -4.016 1.00 1.27 H new ATOM 0 HD22 LEU B 89 142.690 -5.442 -3.624 1.00 1.27 H new ATOM 0 HD23 LEU B 89 141.985 -6.859 -4.439 1.00 1.27 H new