USER MOD reduce.3.24.130724 H: found=0, std=0, add=947, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 941 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 1 GLY N :NH3+ -130:sc= 0.0652 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0.0225 USER MOD Single : A 9 LYS NZ :NH3+ -167:sc= -0.0492 (180deg=-0.34) USER MOD Single : A 10 CYS SG : rot 114:sc= 0.961 USER MOD Single : A 13 MET CE :methyl -126:sc= -2.31 (180deg=-5.48!) USER MOD Single : A 15 LYS NZ :NH3+ -161:sc= -0.833 (180deg=-1.19) USER MOD Single : A 23 SER OG : rot 180:sc= -0.0883 USER MOD Single : A 27 ASN : amide:sc= -3.32 K(o=-3.3,f=-4!) USER MOD Single : A 31 HIS : no HD1:sc= -0.56 K(o=-0.56,f=-2.2) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= -1.58! USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 105:sc= 0.058 USER MOD Single : A 50 SER OG : rot 98:sc= 0.1 USER MOD Single : A 52 SER OG : rot -14:sc= 1.04 USER MOD Single : A 56 HIS : no HD1:sc= -0.561 X(o=-0.56,f=-0.89) USER MOD Single : A 59 THR OG1 : rot 26:sc= 0.302 USER MOD Single : A 60 THR OG1 : rot 180:sc= -0.0729 USER MOD Single : A 69 TYR OH : rot 180:sc= -1.04 USER MOD Single : A 70 LYS NZ :NH3+ -107:sc= -2.4 (180deg=-8.22!) USER MOD Single : A 75 THR OG1 : rot 75:sc= 1.46 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0.0673 USER MOD Single : A 78 TYR OH : rot 180:sc= -0.768 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 MET CE :methyl -108:sc= -1.02 (180deg=-4.22!) USER MOD Single : A 88 HIS : no HD1:sc= -0.0292 X(o=-0.029,f=-0.46) USER MOD Single : A 90 HIS : no HD1:sc= -0.39 K(o=-0.39,f=-0.94) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 ASN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 100 SER OG : rot -22:sc= -1.21! USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 THR OG1 : rot -170:sc= -0.463 USER MOD Single : A 110 MET CE :methyl -125:sc= -1.22 (180deg=-7.82!) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 THR OG1 : rot 180:sc= -0.322 USER MOD Single : A 124 ASN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 126 LYS NZ :NH3+ 159:sc= -0.015 (180deg=-0.213) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.759 11.461 -0.057 1.00 61.14 N ATOM 2 CA GLY A 1 -4.610 11.369 0.825 1.00 32.12 C ATOM 3 C GLY A 1 -3.301 11.287 0.064 1.00 34.20 C ATOM 4 O GLY A 1 -3.255 11.461 -1.153 1.00 34.12 O ATOM 0 H1 GLY A 1 -6.364 12.253 0.242 1.00 61.14 H new ATOM 0 H2 GLY A 1 -5.436 11.621 -1.032 1.00 61.14 H new ATOM 0 H3 GLY A 1 -6.302 10.575 -0.013 1.00 61.14 H new ATOM 0 HA2 GLY A 1 -4.590 12.238 1.483 1.00 32.12 H new ATOM 0 HA3 GLY A 1 -4.713 10.490 1.461 1.00 32.12 H new ATOM 8 N PRO A 2 -2.206 11.018 0.790 1.00 40.13 N ATOM 9 CA PRO A 2 -0.871 10.909 0.197 1.00 12.23 C ATOM 10 C PRO A 2 -0.721 9.664 -0.670 1.00 60.11 C ATOM 11 O PRO A 2 -1.696 8.962 -0.942 1.00 13.32 O ATOM 12 CB PRO A 2 0.053 10.828 1.415 1.00 65.30 C ATOM 13 CG PRO A 2 -0.802 10.275 2.502 1.00 53.50 C ATOM 14 CD PRO A 2 -2.187 10.800 2.246 1.00 2.22 C ATOM 0 HA PRO A 2 -0.651 11.745 -0.467 1.00 12.23 H new ATOM 0 HB2 PRO A 2 0.911 10.184 1.219 1.00 65.30 H new ATOM 0 HB3 PRO A 2 0.445 11.810 1.680 1.00 65.30 H new ATOM 0 HG2 PRO A 2 -0.790 9.185 2.492 1.00 53.50 H new ATOM 0 HG3 PRO A 2 -0.440 10.589 3.481 1.00 53.50 H new ATOM 0 HD2 PRO A 2 -2.951 10.086 2.555 1.00 2.22 H new ATOM 0 HD3 PRO A 2 -2.374 11.724 2.793 1.00 2.22 H new ATOM 22 N THR A 3 0.507 9.392 -1.101 1.00 14.22 N ATOM 23 CA THR A 3 0.784 8.231 -1.938 1.00 30.12 C ATOM 24 C THR A 3 0.229 6.958 -1.311 1.00 52.42 C ATOM 25 O THR A 3 -0.007 6.899 -0.106 1.00 64.13 O ATOM 26 CB THR A 3 2.297 8.057 -2.175 1.00 60.14 C ATOM 27 OG1 THR A 3 2.936 7.639 -0.964 1.00 65.23 O ATOM 28 CG2 THR A 3 2.921 9.357 -2.661 1.00 54.24 C ATOM 0 H THR A 3 1.326 9.960 -0.884 1.00 14.22 H new ATOM 0 HA THR A 3 0.292 8.406 -2.895 1.00 30.12 H new ATOM 0 HB THR A 3 2.438 7.296 -2.942 1.00 60.14 H new ATOM 0 HG1 THR A 3 3.897 7.529 -1.122 1.00 65.23 H new ATOM 0 HG21 THR A 3 3.989 9.210 -2.821 1.00 54.24 H new ATOM 0 HG22 THR A 3 2.451 9.658 -3.597 1.00 54.24 H new ATOM 0 HG23 THR A 3 2.770 10.135 -1.913 1.00 54.24 H new ATOM 36 N GLY A 4 0.024 5.937 -2.139 1.00 41.43 N ATOM 37 CA GLY A 4 -0.501 4.676 -1.647 1.00 44.14 C ATOM 38 C GLY A 4 0.287 4.140 -0.468 1.00 45.21 C ATOM 39 O GLY A 4 1.517 4.070 -0.513 1.00 55.11 O ATOM 0 H GLY A 4 0.212 5.961 -3.141 1.00 41.43 H new ATOM 0 HA2 GLY A 4 -1.542 4.809 -1.354 1.00 44.14 H new ATOM 0 HA3 GLY A 4 -0.488 3.942 -2.452 1.00 44.14 H new ATOM 43 N THR A 5 -0.419 3.762 0.593 1.00 31.41 N ATOM 44 CA THR A 5 0.222 3.233 1.790 1.00 22.34 C ATOM 45 C THR A 5 1.177 2.097 1.444 1.00 31.32 C ATOM 46 O THR A 5 0.994 1.399 0.448 1.00 14.22 O ATOM 47 CB THR A 5 -0.818 2.723 2.805 1.00 73.45 C ATOM 48 OG1 THR A 5 -1.489 1.570 2.283 1.00 5.02 O ATOM 49 CG2 THR A 5 -1.837 3.806 3.126 1.00 64.33 C ATOM 0 H THR A 5 -1.436 3.813 0.647 1.00 31.41 H new ATOM 0 HA THR A 5 0.783 4.053 2.238 1.00 22.34 H new ATOM 0 HB THR A 5 -0.295 2.454 3.723 1.00 73.45 H new ATOM 0 HG1 THR A 5 -2.147 1.251 2.935 1.00 5.02 H new ATOM 0 HG21 THR A 5 -2.561 3.423 3.845 1.00 64.33 H new ATOM 0 HG22 THR A 5 -1.327 4.671 3.551 1.00 64.33 H new ATOM 0 HG23 THR A 5 -2.354 4.102 2.213 1.00 64.33 H new ATOM 57 N GLY A 6 2.200 1.915 2.276 1.00 71.40 N ATOM 58 CA GLY A 6 3.169 0.862 2.041 1.00 40.22 C ATOM 59 C GLY A 6 4.267 1.286 1.086 1.00 10.15 C ATOM 60 O GLY A 6 4.739 0.486 0.279 1.00 53.20 O ATOM 0 H GLY A 6 2.374 2.479 3.108 1.00 71.40 H new ATOM 0 HA2 GLY A 6 3.613 0.563 2.990 1.00 40.22 H new ATOM 0 HA3 GLY A 6 2.659 -0.013 1.638 1.00 40.22 H new ATOM 64 N GLU A 7 4.673 2.549 1.177 1.00 40.40 N ATOM 65 CA GLU A 7 5.720 3.078 0.311 1.00 12.15 C ATOM 66 C GLU A 7 6.583 4.092 1.058 1.00 51.21 C ATOM 67 O GLU A 7 6.259 4.495 2.175 1.00 21.41 O ATOM 68 CB GLU A 7 5.107 3.729 -0.930 1.00 43.22 C ATOM 69 CG GLU A 7 6.007 3.674 -2.154 1.00 35.11 C ATOM 70 CD GLU A 7 5.230 3.765 -3.453 1.00 70.21 C ATOM 71 OE1 GLU A 7 4.185 3.090 -3.566 1.00 72.12 O1- ATOM 72 OE2 GLU A 7 5.666 4.510 -4.355 1.00 64.44 O ATOM 0 H GLU A 7 4.293 3.224 1.841 1.00 40.40 H new ATOM 0 HA GLU A 7 6.353 2.247 0.000 1.00 12.15 H new ATOM 0 HB2 GLU A 7 4.163 3.235 -1.161 1.00 43.22 H new ATOM 0 HB3 GLU A 7 4.875 4.770 -0.707 1.00 43.22 H new ATOM 0 HG2 GLU A 7 6.727 4.491 -2.108 1.00 35.11 H new ATOM 0 HG3 GLU A 7 6.577 2.745 -2.140 1.00 35.11 H new ATOM 79 N SER A 8 7.682 4.500 0.432 1.00 30.32 N ATOM 80 CA SER A 8 8.594 5.463 1.038 1.00 50.54 C ATOM 81 C SER A 8 7.995 6.867 1.014 1.00 74.54 C ATOM 82 O SER A 8 6.810 7.045 0.731 1.00 32.03 O ATOM 83 CB SER A 8 9.937 5.456 0.306 1.00 2.22 C ATOM 84 OG SER A 8 10.185 4.196 -0.293 1.00 41.42 O ATOM 0 H SER A 8 7.963 4.179 -0.495 1.00 30.32 H new ATOM 0 HA SER A 8 8.753 5.172 2.076 1.00 50.54 H new ATOM 0 HB2 SER A 8 9.942 6.233 -0.459 1.00 2.22 H new ATOM 0 HB3 SER A 8 10.738 5.693 1.007 1.00 2.22 H new ATOM 0 HG SER A 8 11.048 4.218 -0.756 1.00 41.42 H new ATOM 90 N LYS A 9 8.824 7.862 1.313 1.00 25.14 N ATOM 91 CA LYS A 9 8.381 9.250 1.325 1.00 4.14 C ATOM 92 C LYS A 9 9.561 10.200 1.152 1.00 50.55 C ATOM 93 O LYS A 9 9.429 11.267 0.552 1.00 2.11 O ATOM 94 CB LYS A 9 7.648 9.562 2.632 1.00 2.34 C ATOM 95 CG LYS A 9 8.576 9.742 3.821 1.00 10.32 C ATOM 96 CD LYS A 9 9.173 8.419 4.268 1.00 40.34 C ATOM 97 CE LYS A 9 8.093 7.431 4.682 1.00 14.34 C ATOM 98 NZ LYS A 9 7.129 8.034 5.643 1.00 60.34 N1+ ATOM 0 H LYS A 9 9.807 7.732 1.550 1.00 25.14 H new ATOM 0 HA LYS A 9 7.697 9.394 0.489 1.00 4.14 H new ATOM 0 HB2 LYS A 9 7.059 10.470 2.501 1.00 2.34 H new ATOM 0 HB3 LYS A 9 6.947 8.755 2.847 1.00 2.34 H new ATOM 0 HG2 LYS A 9 9.377 10.433 3.557 1.00 10.32 H new ATOM 0 HG3 LYS A 9 8.026 10.192 4.648 1.00 10.32 H new ATOM 0 HD2 LYS A 9 9.765 7.994 3.458 1.00 40.34 H new ATOM 0 HD3 LYS A 9 9.852 8.589 5.104 1.00 40.34 H new ATOM 0 HE2 LYS A 9 7.557 7.087 3.797 1.00 14.34 H new ATOM 0 HE3 LYS A 9 8.557 6.554 5.135 1.00 14.34 H new ATOM 0 HZ1 LYS A 9 6.548 7.284 6.068 1.00 60.34 H new ATOM 0 HZ2 LYS A 9 7.651 8.533 6.391 1.00 60.34 H new ATOM 0 HZ3 LYS A 9 6.514 8.707 5.142 1.00 60.34 H new ATOM 112 N CYS A 10 10.714 9.806 1.681 1.00 54.34 N ATOM 113 CA CYS A 10 11.919 10.623 1.585 1.00 63.03 C ATOM 114 C CYS A 10 12.822 10.128 0.460 1.00 10.52 C ATOM 115 O CYS A 10 12.789 8.960 0.072 1.00 12.21 O ATOM 116 CB CYS A 10 12.679 10.605 2.911 1.00 2.32 C ATOM 117 SG CYS A 10 13.128 8.950 3.483 1.00 4.01 S ATOM 0 H CYS A 10 10.840 8.926 2.181 1.00 54.34 H new ATOM 0 HA CYS A 10 11.618 11.647 1.362 1.00 63.03 H new ATOM 0 HB2 CYS A 10 13.586 11.200 2.805 1.00 2.32 H new ATOM 0 HB3 CYS A 10 12.068 11.088 3.674 1.00 2.32 H new ATOM 0 HG CYS A 10 14.422 8.824 3.475 1.00 4.01 H new ATOM 123 N PRO A 11 13.650 11.037 -0.077 1.00 53.44 N ATOM 124 CA PRO A 11 14.578 10.716 -1.167 1.00 54.45 C ATOM 125 C PRO A 11 15.714 9.807 -0.711 1.00 45.03 C ATOM 126 O PRO A 11 16.258 9.033 -1.500 1.00 23.34 O ATOM 127 CB PRO A 11 15.121 12.085 -1.584 1.00 72.55 C ATOM 128 CG PRO A 11 14.978 12.936 -0.369 1.00 3.34 C ATOM 129 CD PRO A 11 13.743 12.446 0.336 1.00 61.21 C ATOM 0 HA PRO A 11 14.087 10.173 -1.975 1.00 54.45 H new ATOM 0 HB2 PRO A 11 16.162 12.018 -1.900 1.00 72.55 H new ATOM 0 HB3 PRO A 11 14.559 12.495 -2.423 1.00 72.55 H new ATOM 0 HG2 PRO A 11 15.854 12.850 0.273 1.00 3.34 H new ATOM 0 HG3 PRO A 11 14.882 13.988 -0.638 1.00 3.34 H new ATOM 0 HD2 PRO A 11 13.833 12.542 1.418 1.00 61.21 H new ATOM 0 HD3 PRO A 11 12.860 13.011 0.038 1.00 61.21 H new ATOM 137 N LEU A 12 16.068 9.905 0.565 1.00 63.12 N ATOM 138 CA LEU A 12 17.140 9.091 1.127 1.00 52.33 C ATOM 139 C LEU A 12 16.651 8.307 2.340 1.00 2.43 C ATOM 140 O LEU A 12 16.207 8.888 3.330 1.00 13.02 O ATOM 141 CB LEU A 12 18.326 9.974 1.521 1.00 40.22 C ATOM 142 CG LEU A 12 19.653 9.251 1.753 1.00 11.33 C ATOM 143 CD1 LEU A 12 19.608 8.458 3.050 1.00 73.42 C ATOM 144 CD2 LEU A 12 19.978 8.340 0.578 1.00 15.23 C ATOM 0 H LEU A 12 15.628 10.540 1.231 1.00 63.12 H new ATOM 0 HA LEU A 12 17.461 8.382 0.364 1.00 52.33 H new ATOM 0 HB2 LEU A 12 18.473 10.720 0.740 1.00 40.22 H new ATOM 0 HB3 LEU A 12 18.065 10.513 2.432 1.00 40.22 H new ATOM 0 HG LEU A 12 20.443 9.998 1.835 1.00 11.33 H new ATOM 0 HD11 LEU A 12 20.561 7.950 3.199 1.00 73.42 H new ATOM 0 HD12 LEU A 12 19.423 9.135 3.884 1.00 73.42 H new ATOM 0 HD13 LEU A 12 18.808 7.720 2.998 1.00 73.42 H new ATOM 0 HD21 LEU A 12 20.926 7.834 0.761 1.00 15.23 H new ATOM 0 HD22 LEU A 12 19.187 7.599 0.463 1.00 15.23 H new ATOM 0 HD23 LEU A 12 20.054 8.934 -0.333 1.00 15.23 H new ATOM 156 N MET A 13 16.737 6.983 2.257 1.00 61.20 N ATOM 157 CA MET A 13 16.307 6.120 3.350 1.00 22.34 C ATOM 158 C MET A 13 17.276 4.958 3.538 1.00 2.51 C ATOM 159 O MET A 13 17.865 4.464 2.576 1.00 53.15 O ATOM 160 CB MET A 13 14.898 5.585 3.081 1.00 74.34 C ATOM 161 CG MET A 13 14.810 4.691 1.855 1.00 62.10 C ATOM 162 SD MET A 13 13.529 3.431 2.004 1.00 31.34 S ATOM 163 CE MET A 13 14.249 2.364 3.250 1.00 60.31 C ATOM 0 H MET A 13 17.100 6.485 1.444 1.00 61.20 H new ATOM 0 HA MET A 13 16.295 6.712 4.265 1.00 22.34 H new ATOM 0 HB2 MET A 13 14.558 5.026 3.953 1.00 74.34 H new ATOM 0 HB3 MET A 13 14.217 6.427 2.956 1.00 74.34 H new ATOM 0 HG2 MET A 13 14.610 5.305 0.976 1.00 62.10 H new ATOM 0 HG3 MET A 13 15.773 4.207 1.693 1.00 62.10 H new ATOM 0 HE1 MET A 13 14.282 1.340 2.878 1.00 60.31 H new ATOM 0 HE2 MET A 13 15.261 2.700 3.476 1.00 60.31 H new ATOM 0 HE3 MET A 13 13.643 2.402 4.155 1.00 60.31 H new ATOM 173 N VAL A 14 17.436 4.522 4.785 1.00 21.22 N ATOM 174 CA VAL A 14 18.334 3.417 5.099 1.00 2.34 C ATOM 175 C VAL A 14 17.552 2.142 5.393 1.00 34.21 C ATOM 176 O VAL A 14 16.670 2.123 6.251 1.00 35.53 O ATOM 177 CB VAL A 14 19.228 3.748 6.310 1.00 44.00 C ATOM 178 CG1 VAL A 14 20.082 2.548 6.686 1.00 51.25 C ATOM 179 CG2 VAL A 14 20.098 4.960 6.013 1.00 44.55 C ATOM 0 H VAL A 14 16.955 4.918 5.593 1.00 21.22 H new ATOM 0 HA VAL A 14 18.964 3.261 4.223 1.00 2.34 H new ATOM 0 HB VAL A 14 18.588 3.988 7.159 1.00 44.00 H new ATOM 0 HG11 VAL A 14 20.707 2.800 7.543 1.00 51.25 H new ATOM 0 HG12 VAL A 14 19.436 1.708 6.942 1.00 51.25 H new ATOM 0 HG13 VAL A 14 20.716 2.274 5.843 1.00 51.25 H new ATOM 0 HG21 VAL A 14 20.723 5.180 6.878 1.00 44.55 H new ATOM 0 HG22 VAL A 14 20.732 4.750 5.151 1.00 44.55 H new ATOM 0 HG23 VAL A 14 19.463 5.819 5.796 1.00 44.55 H new ATOM 189 N LYS A 15 17.883 1.074 4.674 1.00 20.03 N ATOM 190 CA LYS A 15 17.215 -0.209 4.856 1.00 34.30 C ATOM 191 C LYS A 15 18.180 -1.252 5.409 1.00 62.02 C ATOM 192 O LYS A 15 19.084 -1.709 4.709 1.00 61.44 O ATOM 193 CB LYS A 15 16.628 -0.695 3.529 1.00 53.00 C ATOM 194 CG LYS A 15 16.092 -2.115 3.585 1.00 15.14 C ATOM 195 CD LYS A 15 14.900 -2.225 4.519 1.00 41.01 C ATOM 196 CE LYS A 15 15.298 -2.812 5.865 1.00 63.11 C ATOM 197 NZ LYS A 15 14.215 -3.650 6.447 1.00 53.54 N1+ ATOM 0 H LYS A 15 18.611 1.072 3.959 1.00 20.03 H new ATOM 0 HA LYS A 15 16.407 -0.070 5.575 1.00 34.30 H new ATOM 0 HB2 LYS A 15 15.823 -0.023 3.230 1.00 53.00 H new ATOM 0 HB3 LYS A 15 17.396 -0.636 2.758 1.00 53.00 H new ATOM 0 HG2 LYS A 15 15.802 -2.435 2.584 1.00 15.14 H new ATOM 0 HG3 LYS A 15 16.880 -2.789 3.919 1.00 15.14 H new ATOM 0 HD2 LYS A 15 14.460 -1.239 4.667 1.00 41.01 H new ATOM 0 HD3 LYS A 15 14.134 -2.850 4.061 1.00 41.01 H new ATOM 0 HE2 LYS A 15 16.199 -3.414 5.746 1.00 63.11 H new ATOM 0 HE3 LYS A 15 15.543 -2.005 6.555 1.00 63.11 H new ATOM 0 HZ1 LYS A 15 14.375 -3.764 7.468 1.00 53.54 H new ATOM 0 HZ2 LYS A 15 13.296 -3.188 6.290 1.00 53.54 H new ATOM 0 HZ3 LYS A 15 14.215 -4.584 5.990 1.00 53.54 H new ATOM 211 N VAL A 16 17.983 -1.625 6.670 1.00 25.51 N ATOM 212 CA VAL A 16 18.835 -2.616 7.316 1.00 72.30 C ATOM 213 C VAL A 16 18.009 -3.767 7.878 1.00 42.30 C ATOM 214 O VAL A 16 17.134 -3.566 8.721 1.00 53.32 O ATOM 215 CB VAL A 16 19.662 -1.989 8.454 1.00 4.53 C ATOM 216 CG1 VAL A 16 20.506 -3.047 9.148 1.00 11.20 C ATOM 217 CG2 VAL A 16 20.536 -0.864 7.920 1.00 21.20 C ATOM 0 H VAL A 16 17.241 -1.256 7.264 1.00 25.51 H new ATOM 0 HA VAL A 16 19.513 -2.997 6.552 1.00 72.30 H new ATOM 0 HB VAL A 16 18.975 -1.568 9.188 1.00 4.53 H new ATOM 0 HG11 VAL A 16 21.083 -2.584 9.949 1.00 11.20 H new ATOM 0 HG12 VAL A 16 19.855 -3.815 9.566 1.00 11.20 H new ATOM 0 HG13 VAL A 16 21.186 -3.501 8.427 1.00 11.20 H new ATOM 0 HG21 VAL A 16 21.113 -0.432 8.738 1.00 21.20 H new ATOM 0 HG22 VAL A 16 21.216 -1.258 7.165 1.00 21.20 H new ATOM 0 HG23 VAL A 16 19.906 -0.094 7.475 1.00 21.20 H new ATOM 227 N LEU A 17 18.293 -4.976 7.406 1.00 45.53 N ATOM 228 CA LEU A 17 17.577 -6.163 7.862 1.00 34.25 C ATOM 229 C LEU A 17 18.535 -7.333 8.064 1.00 35.30 C ATOM 230 O LEU A 17 19.568 -7.423 7.401 1.00 14.24 O ATOM 231 CB LEU A 17 16.491 -6.547 6.855 1.00 4.15 C ATOM 232 CG LEU A 17 16.956 -7.358 5.644 1.00 21.13 C ATOM 233 CD1 LEU A 17 16.511 -8.807 5.771 1.00 54.51 C ATOM 234 CD2 LEU A 17 16.425 -6.745 4.356 1.00 44.01 C ATOM 0 H LEU A 17 19.014 -5.160 6.708 1.00 45.53 H new ATOM 0 HA LEU A 17 17.110 -5.930 8.819 1.00 34.25 H new ATOM 0 HB2 LEU A 17 15.724 -7.119 7.378 1.00 4.15 H new ATOM 0 HB3 LEU A 17 16.017 -5.634 6.495 1.00 4.15 H new ATOM 0 HG LEU A 17 18.045 -7.335 5.611 1.00 21.13 H new ATOM 0 HD11 LEU A 17 16.850 -9.369 4.901 1.00 54.51 H new ATOM 0 HD12 LEU A 17 16.940 -9.242 6.674 1.00 54.51 H new ATOM 0 HD13 LEU A 17 15.423 -8.850 5.829 1.00 54.51 H new ATOM 0 HD21 LEU A 17 16.766 -7.335 3.505 1.00 44.01 H new ATOM 0 HD22 LEU A 17 15.335 -6.737 4.379 1.00 44.01 H new ATOM 0 HD23 LEU A 17 16.793 -5.724 4.260 1.00 44.01 H new ATOM 246 N ASP A 18 18.183 -8.226 8.982 1.00 35.22 N ATOM 247 CA ASP A 18 19.010 -9.393 9.270 1.00 62.01 C ATOM 248 C ASP A 18 18.803 -10.478 8.218 1.00 31.11 C ATOM 249 O ASP A 18 17.672 -10.873 7.933 1.00 73.51 O ATOM 250 CB ASP A 18 18.686 -9.944 10.660 1.00 12.00 C ATOM 251 CG ASP A 18 19.323 -9.130 11.768 1.00 12.43 C ATOM 252 OD1 ASP A 18 19.479 -7.905 11.590 1.00 43.43 O1- ATOM 253 OD2 ASP A 18 19.670 -9.720 12.813 1.00 41.53 O ATOM 0 H ASP A 18 17.331 -8.165 9.540 1.00 35.22 H new ATOM 0 HA ASP A 18 20.055 -9.083 9.245 1.00 62.01 H new ATOM 0 HB2 ASP A 18 17.605 -9.958 10.799 1.00 12.00 H new ATOM 0 HB3 ASP A 18 19.030 -10.976 10.728 1.00 12.00 H new ATOM 258 N ALA A 19 19.902 -10.955 7.643 1.00 34.14 N ATOM 259 CA ALA A 19 19.842 -11.994 6.624 1.00 74.24 C ATOM 260 C ALA A 19 19.700 -13.375 7.256 1.00 42.11 C ATOM 261 O ALA A 19 19.645 -14.387 6.555 1.00 25.21 O ATOM 262 CB ALA A 19 21.079 -11.941 5.740 1.00 45.22 C ATOM 0 H ALA A 19 20.845 -10.638 7.866 1.00 34.14 H new ATOM 0 HA ALA A 19 18.962 -11.812 6.008 1.00 74.24 H new ATOM 0 HB1 ALA A 19 21.019 -12.724 4.984 1.00 45.22 H new ATOM 0 HB2 ALA A 19 21.136 -10.968 5.252 1.00 45.22 H new ATOM 0 HB3 ALA A 19 21.969 -12.093 6.350 1.00 45.22 H new ATOM 268 N VAL A 20 19.642 -13.411 8.583 1.00 34.04 N ATOM 269 CA VAL A 20 19.507 -14.668 9.309 1.00 21.35 C ATOM 270 C VAL A 20 18.040 -15.050 9.477 1.00 44.04 C ATOM 271 O VAL A 20 17.685 -16.228 9.419 1.00 43.12 O ATOM 272 CB VAL A 20 20.167 -14.587 10.698 1.00 5.35 C ATOM 273 CG1 VAL A 20 19.995 -15.900 11.448 1.00 34.41 C ATOM 274 CG2 VAL A 20 21.639 -14.227 10.568 1.00 3.13 C ATOM 0 H VAL A 20 19.686 -12.583 9.178 1.00 34.04 H new ATOM 0 HA VAL A 20 20.013 -15.431 8.718 1.00 21.35 H new ATOM 0 HB VAL A 20 19.674 -13.802 11.270 1.00 5.35 H new ATOM 0 HG11 VAL A 20 20.468 -15.824 12.427 1.00 34.41 H new ATOM 0 HG12 VAL A 20 18.933 -16.111 11.573 1.00 34.41 H new ATOM 0 HG13 VAL A 20 20.461 -16.706 10.882 1.00 34.41 H new ATOM 0 HG21 VAL A 20 22.090 -14.174 11.559 1.00 3.13 H new ATOM 0 HG22 VAL A 20 22.149 -14.988 9.978 1.00 3.13 H new ATOM 0 HG23 VAL A 20 21.735 -13.260 10.074 1.00 3.13 H new ATOM 284 N ARG A 21 17.193 -14.048 9.684 1.00 13.31 N ATOM 285 CA ARG A 21 15.764 -14.279 9.860 1.00 41.52 C ATOM 286 C ARG A 21 14.963 -13.610 8.748 1.00 40.44 C ATOM 287 O ARG A 21 13.859 -14.040 8.418 1.00 1.41 O ATOM 288 CB ARG A 21 15.305 -13.753 11.222 1.00 42.31 C ATOM 289 CG ARG A 21 16.270 -14.067 12.353 1.00 55.31 C ATOM 290 CD ARG A 21 17.197 -12.894 12.637 1.00 11.13 C ATOM 291 NE ARG A 21 18.037 -13.132 13.808 1.00 51.30 N ATOM 292 CZ ARG A 21 17.614 -12.982 15.059 1.00 13.52 C ATOM 293 NH1 ARG A 21 16.368 -12.598 15.298 1.00 72.23 N1+ ATOM 294 NH2 ARG A 21 18.438 -13.216 16.071 1.00 1.52 N ATOM 0 H ARG A 21 17.471 -13.068 9.734 1.00 13.31 H new ATOM 0 HA ARG A 21 15.587 -15.354 9.814 1.00 41.52 H new ATOM 0 HB2 ARG A 21 15.172 -12.673 11.159 1.00 42.31 H new ATOM 0 HB3 ARG A 21 14.331 -14.181 11.458 1.00 42.31 H new ATOM 0 HG2 ARG A 21 15.708 -14.315 13.254 1.00 55.31 H new ATOM 0 HG3 ARG A 21 16.862 -14.945 12.095 1.00 55.31 H new ATOM 0 HD2 ARG A 21 17.829 -12.713 11.768 1.00 11.13 H new ATOM 0 HD3 ARG A 21 16.604 -11.993 12.793 1.00 11.13 H new ATOM 0 HE ARG A 21 19.001 -13.430 13.657 1.00 51.30 H new ATOM 0 HH11 ARG A 21 15.732 -12.417 14.521 1.00 72.23 H new ATOM 0 HH12 ARG A 21 16.045 -12.483 16.259 1.00 72.23 H new ATOM 0 HH21 ARG A 21 19.397 -13.511 15.890 1.00 1.52 H new ATOM 0 HH22 ARG A 21 18.113 -13.101 17.031 1.00 1.52 H new ATOM 308 N GLY A 22 15.528 -12.552 8.173 1.00 74.32 N ATOM 309 CA GLY A 22 14.853 -11.840 7.104 1.00 71.21 C ATOM 310 C GLY A 22 14.038 -10.666 7.613 1.00 53.11 C ATOM 311 O GLY A 22 13.298 -10.040 6.855 1.00 34.42 O ATOM 0 H GLY A 22 16.441 -12.176 8.429 1.00 74.32 H new ATOM 0 HA2 GLY A 22 15.592 -11.482 6.387 1.00 71.21 H new ATOM 0 HA3 GLY A 22 14.198 -12.529 6.570 1.00 71.21 H new ATOM 315 N SER A 23 14.174 -10.369 8.902 1.00 51.51 N ATOM 316 CA SER A 23 13.441 -9.267 9.513 1.00 3.34 C ATOM 317 C SER A 23 14.329 -8.033 9.650 1.00 32.43 C ATOM 318 O SER A 23 15.556 -8.110 9.584 1.00 43.34 O ATOM 319 CB SER A 23 12.908 -9.680 10.886 1.00 71.44 C ATOM 320 OG SER A 23 13.471 -10.912 11.302 1.00 35.11 O ATOM 0 H SER A 23 14.785 -10.876 9.542 1.00 51.51 H new ATOM 0 HA SER A 23 12.601 -9.019 8.864 1.00 3.34 H new ATOM 0 HB2 SER A 23 13.139 -8.906 11.617 1.00 71.44 H new ATOM 0 HB3 SER A 23 11.822 -9.768 10.847 1.00 71.44 H new ATOM 0 HG SER A 23 13.116 -11.153 12.183 1.00 35.11 H new ATOM 326 N PRO A 24 13.694 -6.868 9.843 1.00 34.11 N ATOM 327 CA PRO A 24 14.406 -5.595 9.994 1.00 75.01 C ATOM 328 C PRO A 24 15.171 -5.510 11.311 1.00 32.44 C ATOM 329 O PRO A 24 14.795 -6.139 12.299 1.00 65.23 O ATOM 330 CB PRO A 24 13.283 -4.554 9.960 1.00 55.43 C ATOM 331 CG PRO A 24 12.072 -5.290 10.421 1.00 2.33 C ATOM 332 CD PRO A 24 12.234 -6.702 9.931 1.00 25.13 C ATOM 0 HA PRO A 24 15.159 -5.456 9.219 1.00 75.01 H new ATOM 0 HB2 PRO A 24 13.506 -3.710 10.612 1.00 55.43 H new ATOM 0 HB3 PRO A 24 13.145 -4.153 8.956 1.00 55.43 H new ATOM 0 HG2 PRO A 24 11.988 -5.261 11.507 1.00 2.33 H new ATOM 0 HG3 PRO A 24 11.165 -4.839 10.019 1.00 2.33 H new ATOM 0 HD2 PRO A 24 11.789 -7.420 10.620 1.00 25.13 H new ATOM 0 HD3 PRO A 24 11.754 -6.849 8.964 1.00 25.13 H new ATOM 340 N ALA A 25 16.245 -4.728 11.316 1.00 41.01 N ATOM 341 CA ALA A 25 17.062 -4.559 12.511 1.00 63.44 C ATOM 342 C ALA A 25 16.697 -3.275 13.248 1.00 30.11 C ATOM 343 O ALA A 25 16.522 -2.223 12.632 1.00 75.14 O ATOM 344 CB ALA A 25 18.538 -4.560 12.148 1.00 64.11 C ATOM 0 H ALA A 25 16.570 -4.201 10.505 1.00 41.01 H new ATOM 0 HA ALA A 25 16.864 -5.399 13.177 1.00 63.44 H new ATOM 0 HB1 ALA A 25 19.135 -4.433 13.051 1.00 64.11 H new ATOM 0 HB2 ALA A 25 18.795 -5.507 11.673 1.00 64.11 H new ATOM 0 HB3 ALA A 25 18.744 -3.741 11.459 1.00 64.11 H new ATOM 350 N ILE A 26 16.582 -3.368 14.570 1.00 43.00 N ATOM 351 CA ILE A 26 16.239 -2.213 15.389 1.00 13.15 C ATOM 352 C ILE A 26 17.454 -1.701 16.155 1.00 11.44 C ATOM 353 O ILE A 26 18.261 -2.484 16.655 1.00 75.40 O ATOM 354 CB ILE A 26 15.118 -2.547 16.391 1.00 42.33 C ATOM 355 CG1 ILE A 26 13.748 -2.273 15.766 1.00 52.34 C ATOM 356 CG2 ILE A 26 15.294 -1.742 17.670 1.00 30.32 C ATOM 357 CD1 ILE A 26 13.284 -0.842 15.929 1.00 11.12 C ATOM 0 H ILE A 26 16.722 -4.231 15.095 1.00 43.00 H new ATOM 0 HA ILE A 26 15.888 -1.437 14.709 1.00 13.15 H new ATOM 0 HB ILE A 26 15.177 -3.606 16.641 1.00 42.33 H new ATOM 0 HG12 ILE A 26 13.787 -2.515 14.704 1.00 52.34 H new ATOM 0 HG13 ILE A 26 13.012 -2.939 16.217 1.00 52.34 H new ATOM 0 HG21 ILE A 26 14.494 -1.989 18.368 1.00 30.32 H new ATOM 0 HG22 ILE A 26 16.257 -1.982 18.121 1.00 30.32 H new ATOM 0 HG23 ILE A 26 15.257 -0.678 17.438 1.00 30.32 H new ATOM 0 HD11 ILE A 26 12.306 -0.721 15.462 1.00 11.12 H new ATOM 0 HD12 ILE A 26 13.212 -0.601 16.990 1.00 11.12 H new ATOM 0 HD13 ILE A 26 13.999 -0.171 15.453 1.00 11.12 H new ATOM 369 N ASN A 27 17.578 -0.381 16.244 1.00 72.15 N ATOM 370 CA ASN A 27 18.695 0.236 16.951 1.00 74.24 C ATOM 371 C ASN A 27 20.020 -0.108 16.278 1.00 65.44 C ATOM 372 O ASN A 27 20.910 -0.690 16.899 1.00 74.45 O ATOM 373 CB ASN A 27 18.717 -0.221 18.410 1.00 42.11 C ATOM 374 CG ASN A 27 17.383 -0.010 19.101 1.00 53.35 C ATOM 375 OD1 ASN A 27 16.944 -0.844 19.895 1.00 33.42 O ATOM 376 ND2 ASN A 27 16.730 1.107 18.802 1.00 65.05 N ATOM 0 H ASN A 27 16.919 0.282 15.836 1.00 72.15 H new ATOM 0 HA ASN A 27 18.561 1.317 16.919 1.00 74.24 H new ATOM 0 HB2 ASN A 27 18.983 -1.277 18.453 1.00 42.11 H new ATOM 0 HB3 ASN A 27 19.492 0.325 18.948 1.00 42.11 H new ATOM 0 HD21 ASN A 27 15.828 1.302 19.236 1.00 65.05 H new ATOM 0 HD22 ASN A 27 17.131 1.770 18.139 1.00 65.05 H new ATOM 383 N VAL A 28 20.146 0.256 15.006 1.00 63.23 N ATOM 384 CA VAL A 28 21.363 -0.012 14.250 1.00 64.00 C ATOM 385 C VAL A 28 22.049 1.285 13.835 1.00 62.33 C ATOM 386 O VAL A 28 21.542 2.024 12.992 1.00 75.42 O ATOM 387 CB VAL A 28 21.068 -0.850 12.992 1.00 51.21 C ATOM 388 CG1 VAL A 28 22.336 -1.054 12.177 1.00 23.21 C ATOM 389 CG2 VAL A 28 20.452 -2.186 13.375 1.00 70.12 C ATOM 0 H VAL A 28 19.419 0.738 14.477 1.00 63.23 H new ATOM 0 HA VAL A 28 22.026 -0.576 14.906 1.00 64.00 H new ATOM 0 HB VAL A 28 20.351 -0.308 12.376 1.00 51.21 H new ATOM 0 HG11 VAL A 28 22.108 -1.648 11.292 1.00 23.21 H new ATOM 0 HG12 VAL A 28 22.732 -0.085 11.872 1.00 23.21 H new ATOM 0 HG13 VAL A 28 23.078 -1.575 12.782 1.00 23.21 H new ATOM 0 HG21 VAL A 28 20.250 -2.765 12.474 1.00 70.12 H new ATOM 0 HG22 VAL A 28 21.144 -2.736 14.013 1.00 70.12 H new ATOM 0 HG23 VAL A 28 19.520 -2.016 13.913 1.00 70.12 H new ATOM 399 N ALA A 29 23.205 1.553 14.431 1.00 51.31 N ATOM 400 CA ALA A 29 23.963 2.760 14.122 1.00 14.44 C ATOM 401 C ALA A 29 24.266 2.850 12.631 1.00 34.01 C ATOM 402 O ALA A 29 24.748 1.892 12.026 1.00 1.50 O ATOM 403 CB ALA A 29 25.252 2.795 14.928 1.00 51.41 C ATOM 0 H ALA A 29 23.638 0.951 15.131 1.00 51.31 H new ATOM 0 HA ALA A 29 23.354 3.622 14.395 1.00 14.44 H new ATOM 0 HB1 ALA A 29 25.807 3.701 14.687 1.00 51.41 H new ATOM 0 HB2 ALA A 29 25.016 2.786 15.992 1.00 51.41 H new ATOM 0 HB3 ALA A 29 25.858 1.923 14.683 1.00 51.41 H new ATOM 409 N VAL A 30 23.979 4.006 12.041 1.00 53.05 N ATOM 410 CA VAL A 30 24.221 4.221 10.620 1.00 30.12 C ATOM 411 C VAL A 30 24.792 5.612 10.364 1.00 13.12 C ATOM 412 O VAL A 30 24.264 6.611 10.854 1.00 14.35 O ATOM 413 CB VAL A 30 22.930 4.048 9.798 1.00 12.13 C ATOM 414 CG1 VAL A 30 23.210 4.245 8.315 1.00 20.24 C ATOM 415 CG2 VAL A 30 22.314 2.681 10.055 1.00 21.10 C ATOM 0 H VAL A 30 23.578 4.809 12.526 1.00 53.05 H new ATOM 0 HA VAL A 30 24.946 3.470 10.305 1.00 30.12 H new ATOM 0 HB VAL A 30 22.215 4.809 10.113 1.00 12.13 H new ATOM 0 HG11 VAL A 30 22.286 4.119 7.750 1.00 20.24 H new ATOM 0 HG12 VAL A 30 23.603 5.248 8.149 1.00 20.24 H new ATOM 0 HG13 VAL A 30 23.942 3.509 7.982 1.00 20.24 H new ATOM 0 HG21 VAL A 30 21.403 2.576 9.466 1.00 21.10 H new ATOM 0 HG22 VAL A 30 23.022 1.903 9.769 1.00 21.10 H new ATOM 0 HG23 VAL A 30 22.075 2.583 11.114 1.00 21.10 H new ATOM 425 N HIS A 31 25.872 5.670 9.591 1.00 64.03 N ATOM 426 CA HIS A 31 26.514 6.939 9.268 1.00 64.42 C ATOM 427 C HIS A 31 26.665 7.103 7.759 1.00 32.44 C ATOM 428 O HIS A 31 27.335 6.306 7.101 1.00 61.22 O ATOM 429 CB HIS A 31 27.883 7.028 9.943 1.00 31.03 C ATOM 430 CG HIS A 31 27.885 6.548 11.361 1.00 51.53 C ATOM 431 ND1 HIS A 31 27.883 5.213 11.704 1.00 72.45 N ATOM 432 CD2 HIS A 31 27.889 7.234 12.528 1.00 62.03 C ATOM 433 CE1 HIS A 31 27.885 5.099 13.020 1.00 20.24 C ATOM 434 NE2 HIS A 31 27.890 6.310 13.544 1.00 41.10 N ATOM 0 H HIS A 31 26.321 4.853 9.177 1.00 64.03 H new ATOM 0 HA HIS A 31 25.881 7.744 9.641 1.00 64.42 H new ATOM 0 HB2 HIS A 31 28.601 6.442 9.369 1.00 31.03 H new ATOM 0 HB3 HIS A 31 28.224 8.063 9.918 1.00 31.03 H new ATOM 0 HD2 HIS A 31 27.891 8.308 12.639 1.00 62.03 H new ATOM 0 HE1 HIS A 31 27.883 4.172 13.573 1.00 20.24 H new ATOM 0 HE2 HIS A 31 27.894 6.525 14.541 1.00 41.10 H new ATOM 442 N VAL A 32 26.036 8.140 7.216 1.00 24.00 N ATOM 443 CA VAL A 32 26.101 8.409 5.784 1.00 4.03 C ATOM 444 C VAL A 32 27.127 9.492 5.474 1.00 11.32 C ATOM 445 O VAL A 32 27.190 10.515 6.155 1.00 31.44 O ATOM 446 CB VAL A 32 24.730 8.842 5.231 1.00 4.31 C ATOM 447 CG1 VAL A 32 24.742 8.838 3.710 1.00 52.25 C ATOM 448 CG2 VAL A 32 23.630 7.937 5.766 1.00 32.45 C ATOM 0 H VAL A 32 25.476 8.808 7.746 1.00 24.00 H new ATOM 0 HA VAL A 32 26.402 7.479 5.301 1.00 4.03 H new ATOM 0 HB VAL A 32 24.527 9.859 5.566 1.00 4.31 H new ATOM 0 HG11 VAL A 32 23.765 9.146 3.338 1.00 52.25 H new ATOM 0 HG12 VAL A 32 25.503 9.531 3.350 1.00 52.25 H new ATOM 0 HG13 VAL A 32 24.967 7.834 3.351 1.00 52.25 H new ATOM 0 HG21 VAL A 32 22.668 8.257 5.365 1.00 32.45 H new ATOM 0 HG22 VAL A 32 23.825 6.908 5.462 1.00 32.45 H new ATOM 0 HG23 VAL A 32 23.607 7.996 6.854 1.00 32.45 H new ATOM 458 N PHE A 33 27.931 9.261 4.441 1.00 51.12 N ATOM 459 CA PHE A 33 28.955 10.217 4.039 1.00 51.45 C ATOM 460 C PHE A 33 28.910 10.465 2.534 1.00 55.55 C ATOM 461 O PHE A 33 28.282 9.712 1.790 1.00 10.22 O ATOM 462 CB PHE A 33 30.341 9.711 4.443 1.00 10.20 C ATOM 463 CG PHE A 33 30.629 9.855 5.910 1.00 4.40 C ATOM 464 CD1 PHE A 33 30.047 8.999 6.831 1.00 34.41 C ATOM 465 CD2 PHE A 33 31.480 10.847 6.369 1.00 65.40 C ATOM 466 CE1 PHE A 33 30.310 9.130 8.182 1.00 11.13 C ATOM 467 CE2 PHE A 33 31.746 10.983 7.718 1.00 73.04 C ATOM 468 CZ PHE A 33 31.161 10.122 8.625 1.00 5.30 C ATOM 0 H PHE A 33 27.892 8.419 3.867 1.00 51.12 H new ATOM 0 HA PHE A 33 28.756 11.159 4.549 1.00 51.45 H new ATOM 0 HB2 PHE A 33 30.431 8.661 4.165 1.00 10.20 H new ATOM 0 HB3 PHE A 33 31.097 10.256 3.878 1.00 10.20 H new ATOM 0 HD1 PHE A 33 29.380 8.221 6.490 1.00 34.41 H new ATOM 0 HD2 PHE A 33 31.941 11.522 5.664 1.00 65.40 H new ATOM 0 HE1 PHE A 33 29.850 8.457 8.890 1.00 11.13 H new ATOM 0 HE2 PHE A 33 32.410 11.762 8.062 1.00 73.04 H new ATOM 0 HZ PHE A 33 31.369 10.225 9.680 1.00 5.30 H new ATOM 478 N ARG A 34 29.580 11.525 2.094 1.00 64.43 N ATOM 479 CA ARG A 34 29.615 11.873 0.678 1.00 65.22 C ATOM 480 C ARG A 34 31.052 12.061 0.201 1.00 15.34 C ATOM 481 O ARG A 34 31.936 12.418 0.980 1.00 10.42 O ATOM 482 CB ARG A 34 28.811 13.150 0.425 1.00 44.03 C ATOM 483 CG ARG A 34 28.713 13.526 -1.044 1.00 42.14 C ATOM 484 CD ARG A 34 29.683 14.642 -1.398 1.00 65.22 C ATOM 485 NE ARG A 34 29.405 15.212 -2.714 1.00 22.33 N ATOM 486 CZ ARG A 34 29.613 14.564 -3.855 1.00 13.23 C ATOM 487 NH1 ARG A 34 30.098 13.330 -3.841 1.00 32.51 N1+ ATOM 488 NH2 ARG A 34 29.334 15.149 -5.012 1.00 1.52 N ATOM 0 H ARG A 34 30.106 12.158 2.697 1.00 64.43 H new ATOM 0 HA ARG A 34 29.168 11.053 0.116 1.00 65.22 H new ATOM 0 HB2 ARG A 34 27.806 13.022 0.827 1.00 44.03 H new ATOM 0 HB3 ARG A 34 29.270 13.973 0.972 1.00 44.03 H new ATOM 0 HG2 ARG A 34 28.922 12.651 -1.660 1.00 42.14 H new ATOM 0 HG3 ARG A 34 27.695 13.841 -1.273 1.00 42.14 H new ATOM 0 HD2 ARG A 34 29.624 15.426 -0.643 1.00 65.22 H new ATOM 0 HD3 ARG A 34 30.702 14.256 -1.378 1.00 65.22 H new ATOM 0 HE ARG A 34 29.031 16.160 -2.759 1.00 22.33 H new ATOM 0 HH11 ARG A 34 30.312 12.876 -2.953 1.00 32.51 H new ATOM 0 HH12 ARG A 34 30.257 12.834 -4.718 1.00 32.51 H new ATOM 0 HH21 ARG A 34 28.959 16.098 -5.027 1.00 1.52 H new ATOM 0 HH22 ARG A 34 29.494 14.650 -5.887 1.00 1.52 H new ATOM 502 N LYS A 35 31.279 11.817 -1.085 1.00 52.41 N ATOM 503 CA LYS A 35 32.608 11.960 -1.669 1.00 13.50 C ATOM 504 C LYS A 35 32.992 13.431 -1.793 1.00 22.12 C ATOM 505 O LYS A 35 32.454 14.154 -2.631 1.00 23.40 O ATOM 506 CB LYS A 35 32.657 11.291 -3.045 1.00 52.13 C ATOM 507 CG LYS A 35 33.789 11.793 -3.925 1.00 14.31 C ATOM 508 CD LYS A 35 35.146 11.505 -3.307 1.00 53.52 C ATOM 509 CE LYS A 35 35.461 10.017 -3.325 1.00 23.31 C ATOM 510 NZ LYS A 35 36.385 9.658 -4.436 1.00 21.52 N1+ ATOM 0 H LYS A 35 30.559 11.519 -1.744 1.00 52.41 H new ATOM 0 HA LYS A 35 33.323 11.471 -1.008 1.00 13.50 H new ATOM 0 HB2 LYS A 35 32.761 10.214 -2.913 1.00 52.13 H new ATOM 0 HB3 LYS A 35 31.709 11.459 -3.556 1.00 52.13 H new ATOM 0 HG2 LYS A 35 33.727 11.319 -4.905 1.00 14.31 H new ATOM 0 HG3 LYS A 35 33.680 12.866 -4.082 1.00 14.31 H new ATOM 0 HD2 LYS A 35 35.918 12.048 -3.852 1.00 53.52 H new ATOM 0 HD3 LYS A 35 35.164 11.870 -2.280 1.00 53.52 H new ATOM 0 HE2 LYS A 35 35.908 9.729 -2.374 1.00 23.31 H new ATOM 0 HE3 LYS A 35 34.535 9.451 -3.426 1.00 23.31 H new ATOM 0 HZ1 LYS A 35 36.575 8.636 -4.413 1.00 21.52 H new ATOM 0 HZ2 LYS A 35 35.948 9.909 -5.346 1.00 21.52 H new ATOM 0 HZ3 LYS A 35 37.279 10.178 -4.326 1.00 21.52 H new ATOM 524 N ALA A 36 33.927 13.866 -0.956 1.00 11.43 N ATOM 525 CA ALA A 36 34.387 15.249 -0.975 1.00 5.53 C ATOM 526 C ALA A 36 35.236 15.529 -2.209 1.00 3.33 C ATOM 527 O ALA A 36 35.829 14.617 -2.786 1.00 43.41 O ATOM 528 CB ALA A 36 35.171 15.562 0.291 1.00 65.22 C ATOM 0 H ALA A 36 34.381 13.280 -0.255 1.00 11.43 H new ATOM 0 HA ALA A 36 33.511 15.896 -1.016 1.00 5.53 H new ATOM 0 HB1 ALA A 36 35.508 16.598 0.263 1.00 65.22 H new ATOM 0 HB2 ALA A 36 34.532 15.412 1.161 1.00 65.22 H new ATOM 0 HB3 ALA A 36 36.035 14.901 0.357 1.00 65.22 H new ATOM 534 N ALA A 37 35.289 16.794 -2.611 1.00 31.41 N ATOM 535 CA ALA A 37 36.067 17.193 -3.777 1.00 53.45 C ATOM 536 C ALA A 37 37.537 16.826 -3.609 1.00 42.42 C ATOM 537 O ALA A 37 38.276 16.718 -4.587 1.00 11.14 O ATOM 538 CB ALA A 37 35.919 18.688 -4.023 1.00 43.21 C ATOM 0 H ALA A 37 34.802 17.560 -2.146 1.00 31.41 H new ATOM 0 HA ALA A 37 35.682 16.653 -4.642 1.00 53.45 H new ATOM 0 HB1 ALA A 37 36.505 18.973 -4.897 1.00 43.21 H new ATOM 0 HB2 ALA A 37 34.870 18.926 -4.197 1.00 43.21 H new ATOM 0 HB3 ALA A 37 36.276 19.237 -3.152 1.00 43.21 H new ATOM 544 N ASP A 38 37.955 16.635 -2.362 1.00 21.45 N ATOM 545 CA ASP A 38 39.337 16.278 -2.065 1.00 71.21 C ATOM 546 C ASP A 38 39.503 14.764 -1.980 1.00 42.43 C ATOM 547 O ASP A 38 40.494 14.267 -1.447 1.00 64.32 O ATOM 548 CB ASP A 38 39.784 16.927 -0.753 1.00 40.43 C ATOM 549 CG ASP A 38 40.538 18.223 -0.975 1.00 61.52 C ATOM 550 OD1 ASP A 38 40.130 19.003 -1.861 1.00 35.52 O ATOM 551 OD2 ASP A 38 41.538 18.457 -0.263 1.00 52.21 O1- ATOM 0 H ASP A 38 37.356 16.722 -1.541 1.00 21.45 H new ATOM 0 HA ASP A 38 39.963 16.648 -2.877 1.00 71.21 H new ATOM 0 HB2 ASP A 38 38.910 17.121 -0.131 1.00 40.43 H new ATOM 0 HB3 ASP A 38 40.418 16.231 -0.204 1.00 40.43 H new ATOM 556 N ASP A 39 38.525 14.038 -2.509 1.00 23.33 N ATOM 557 CA ASP A 39 38.561 12.580 -2.493 1.00 64.41 C ATOM 558 C ASP A 39 38.497 12.050 -1.064 1.00 62.43 C ATOM 559 O ASP A 39 39.134 11.051 -0.730 1.00 42.41 O ATOM 560 CB ASP A 39 39.828 12.073 -3.181 1.00 53.30 C ATOM 561 CG ASP A 39 40.224 12.928 -4.370 1.00 11.54 C ATOM 562 OD1 ASP A 39 39.447 12.984 -5.345 1.00 1.24 O ATOM 563 OD2 ASP A 39 41.310 13.543 -4.322 1.00 73.02 O1- ATOM 0 H ASP A 39 37.697 14.435 -2.954 1.00 23.33 H new ATOM 0 HA ASP A 39 37.690 12.214 -3.036 1.00 64.41 H new ATOM 0 HB2 ASP A 39 40.646 12.055 -2.461 1.00 53.30 H new ATOM 0 HB3 ASP A 39 39.672 11.046 -3.512 1.00 53.30 H new ATOM 568 N THR A 40 37.723 12.728 -0.220 1.00 24.15 N ATOM 569 CA THR A 40 37.578 12.327 1.173 1.00 43.05 C ATOM 570 C THR A 40 36.130 11.976 1.496 1.00 61.51 C ATOM 571 O THR A 40 35.259 12.037 0.628 1.00 34.22 O ATOM 572 CB THR A 40 38.050 13.439 2.129 1.00 44.50 C ATOM 573 OG1 THR A 40 37.062 14.474 2.203 1.00 41.21 O ATOM 574 CG2 THR A 40 39.373 14.027 1.664 1.00 21.33 C ATOM 0 H THR A 40 37.188 13.557 -0.478 1.00 24.15 H new ATOM 0 HA THR A 40 38.203 11.446 1.315 1.00 43.05 H new ATOM 0 HB THR A 40 38.192 13.002 3.117 1.00 44.50 H new ATOM 0 HG1 THR A 40 37.369 15.176 2.814 1.00 41.21 H new ATOM 0 HG21 THR A 40 39.686 14.810 2.355 1.00 21.33 H new ATOM 0 HG22 THR A 40 40.130 13.243 1.637 1.00 21.33 H new ATOM 0 HG23 THR A 40 39.253 14.450 0.667 1.00 21.33 H new ATOM 582 N TRP A 41 35.880 11.610 2.748 1.00 45.03 N ATOM 583 CA TRP A 41 34.536 11.249 3.185 1.00 2.42 C ATOM 584 C TRP A 41 33.928 12.354 4.042 1.00 70.44 C ATOM 585 O TRP A 41 34.318 12.541 5.194 1.00 32.21 O ATOM 586 CB TRP A 41 34.567 9.936 3.968 1.00 70.13 C ATOM 587 CG TRP A 41 34.723 8.727 3.096 1.00 74.41 C ATOM 588 CD1 TRP A 41 35.259 8.685 1.841 1.00 33.11 C ATOM 589 CD2 TRP A 41 34.336 7.386 3.414 1.00 44.32 C ATOM 590 NE1 TRP A 41 35.229 7.400 1.358 1.00 50.54 N ATOM 591 CE2 TRP A 41 34.668 6.583 2.305 1.00 44.12 C ATOM 592 CE3 TRP A 41 33.742 6.785 4.527 1.00 73.52 C ATOM 593 CZ2 TRP A 41 34.425 5.212 2.280 1.00 60.44 C ATOM 594 CZ3 TRP A 41 33.502 5.425 4.501 1.00 61.10 C ATOM 595 CH2 TRP A 41 33.844 4.650 3.383 1.00 75.05 C ATOM 0 H TRP A 41 36.590 11.555 3.478 1.00 45.03 H new ATOM 0 HA TRP A 41 33.915 11.119 2.299 1.00 2.42 H new ATOM 0 HB2 TRP A 41 35.389 9.967 4.683 1.00 70.13 H new ATOM 0 HB3 TRP A 41 33.646 9.843 4.544 1.00 70.13 H new ATOM 0 HD1 TRP A 41 35.650 9.538 1.306 1.00 33.11 H new ATOM 0 HE1 TRP A 41 35.569 7.102 0.444 1.00 50.54 H new ATOM 0 HE3 TRP A 41 33.475 7.374 5.392 1.00 73.52 H new ATOM 0 HZ2 TRP A 41 34.686 4.614 1.420 1.00 60.44 H new ATOM 0 HZ3 TRP A 41 33.043 4.950 5.356 1.00 61.10 H new ATOM 0 HH2 TRP A 41 33.645 3.589 3.394 1.00 75.05 H new ATOM 606 N GLU A 42 32.972 13.081 3.473 1.00 73.10 N ATOM 607 CA GLU A 42 32.312 14.167 4.187 1.00 54.20 C ATOM 608 C GLU A 42 31.046 13.672 4.881 1.00 4.34 C ATOM 609 O GLU A 42 30.385 12.737 4.427 1.00 73.22 O ATOM 610 CB GLU A 42 31.967 15.306 3.225 1.00 31.41 C ATOM 611 CG GLU A 42 33.171 16.134 2.806 1.00 53.13 C ATOM 612 CD GLU A 42 33.452 17.277 3.762 1.00 51.31 C ATOM 613 OE1 GLU A 42 32.778 18.322 3.651 1.00 60.43 O1- ATOM 614 OE2 GLU A 42 34.348 17.126 4.620 1.00 64.44 O ATOM 0 H GLU A 42 32.637 12.938 2.520 1.00 73.10 H new ATOM 0 HA GLU A 42 33.000 14.539 4.946 1.00 54.20 H new ATOM 0 HB2 GLU A 42 31.496 14.889 2.335 1.00 31.41 H new ATOM 0 HB3 GLU A 42 31.233 15.960 3.697 1.00 31.41 H new ATOM 0 HG2 GLU A 42 34.048 15.490 2.748 1.00 53.13 H new ATOM 0 HG3 GLU A 42 33.002 16.534 1.806 1.00 53.13 H new ATOM 621 N PRO A 43 30.699 14.313 6.006 1.00 54.34 N ATOM 622 CA PRO A 43 29.511 13.955 6.787 1.00 24.43 C ATOM 623 C PRO A 43 28.215 14.314 6.068 1.00 42.40 C ATOM 624 O PRO A 43 27.938 15.487 5.817 1.00 63.02 O ATOM 625 CB PRO A 43 29.661 14.786 8.064 1.00 15.11 C ATOM 626 CG PRO A 43 30.502 15.948 7.663 1.00 23.24 C ATOM 627 CD PRO A 43 31.441 15.435 6.605 1.00 63.44 C ATOM 0 HA PRO A 43 29.450 12.881 6.966 1.00 24.43 H new ATOM 0 HB2 PRO A 43 28.691 15.111 8.441 1.00 15.11 H new ATOM 0 HB3 PRO A 43 30.135 14.209 8.858 1.00 15.11 H new ATOM 0 HG2 PRO A 43 29.886 16.761 7.277 1.00 23.24 H new ATOM 0 HG3 PRO A 43 31.054 16.343 8.516 1.00 23.24 H new ATOM 0 HD2 PRO A 43 31.673 16.203 5.867 1.00 63.44 H new ATOM 0 HD3 PRO A 43 32.388 15.107 7.033 1.00 63.44 H new ATOM 635 N PHE A 44 27.425 13.298 5.739 1.00 23.33 N ATOM 636 CA PHE A 44 26.158 13.508 5.048 1.00 30.03 C ATOM 637 C PHE A 44 24.983 13.365 6.010 1.00 11.52 C ATOM 638 O PHE A 44 24.013 14.120 5.939 1.00 21.02 O ATOM 639 CB PHE A 44 26.011 12.512 3.894 1.00 54.34 C ATOM 640 CG PHE A 44 24.799 12.757 3.042 1.00 42.35 C ATOM 641 CD1 PHE A 44 23.540 12.377 3.478 1.00 23.01 C ATOM 642 CD2 PHE A 44 24.919 13.368 1.803 1.00 4.03 C ATOM 643 CE1 PHE A 44 22.423 12.602 2.695 1.00 44.13 C ATOM 644 CE2 PHE A 44 23.806 13.596 1.017 1.00 24.11 C ATOM 645 CZ PHE A 44 22.556 13.211 1.463 1.00 75.12 C ATOM 0 H PHE A 44 27.639 12.321 5.940 1.00 23.33 H new ATOM 0 HA PHE A 44 26.155 14.522 4.647 1.00 30.03 H new ATOM 0 HB2 PHE A 44 26.902 12.560 3.267 1.00 54.34 H new ATOM 0 HB3 PHE A 44 25.961 11.502 4.300 1.00 54.34 H new ATOM 0 HD1 PHE A 44 23.430 11.900 4.440 1.00 23.01 H new ATOM 0 HD2 PHE A 44 25.894 13.669 1.448 1.00 4.03 H new ATOM 0 HE1 PHE A 44 21.447 12.302 3.047 1.00 44.13 H new ATOM 0 HE2 PHE A 44 23.913 14.075 0.055 1.00 24.11 H new ATOM 0 HZ PHE A 44 21.685 13.386 0.849 1.00 75.12 H new ATOM 655 N ALA A 45 25.078 12.391 6.910 1.00 71.23 N ATOM 656 CA ALA A 45 24.024 12.150 7.888 1.00 64.43 C ATOM 657 C ALA A 45 24.399 11.011 8.829 1.00 24.31 C ATOM 658 O ALA A 45 25.438 10.372 8.663 1.00 5.31 O ATOM 659 CB ALA A 45 22.710 11.844 7.185 1.00 55.21 C ATOM 0 H ALA A 45 25.874 11.757 6.982 1.00 71.23 H new ATOM 0 HA ALA A 45 23.902 13.055 8.484 1.00 64.43 H new ATOM 0 HB1 ALA A 45 21.933 11.666 7.928 1.00 55.21 H new ATOM 0 HB2 ALA A 45 22.427 12.690 6.559 1.00 55.21 H new ATOM 0 HB3 ALA A 45 22.828 10.956 6.564 1.00 55.21 H new ATOM 665 N SER A 46 23.548 10.762 9.819 1.00 61.42 N ATOM 666 CA SER A 46 23.793 9.703 10.791 1.00 20.23 C ATOM 667 C SER A 46 22.563 9.470 11.663 1.00 55.20 C ATOM 668 O SER A 46 21.826 10.403 11.977 1.00 65.33 O ATOM 669 CB SER A 46 24.996 10.054 11.668 1.00 30.24 C ATOM 670 OG SER A 46 24.876 9.473 12.955 1.00 45.23 O ATOM 0 H SER A 46 22.682 11.280 9.969 1.00 61.42 H new ATOM 0 HA SER A 46 24.008 8.785 10.244 1.00 20.23 H new ATOM 0 HB2 SER A 46 25.912 9.704 11.192 1.00 30.24 H new ATOM 0 HB3 SER A 46 25.079 11.137 11.761 1.00 30.24 H new ATOM 0 HG SER A 46 25.658 9.711 13.496 1.00 45.23 H new ATOM 676 N GLY A 47 22.350 8.217 12.053 1.00 22.52 N ATOM 677 CA GLY A 47 21.209 7.883 12.885 1.00 13.24 C ATOM 678 C GLY A 47 21.115 6.398 13.172 1.00 23.24 C ATOM 679 O GLY A 47 22.119 5.686 13.135 1.00 53.34 O ATOM 0 H GLY A 47 22.947 7.427 11.808 1.00 22.52 H new ATOM 0 HA2 GLY A 47 21.278 8.428 13.826 1.00 13.24 H new ATOM 0 HA3 GLY A 47 20.295 8.213 12.392 1.00 13.24 H new ATOM 683 N LYS A 48 19.906 5.927 13.459 1.00 71.53 N ATOM 684 CA LYS A 48 19.684 4.516 13.753 1.00 65.33 C ATOM 685 C LYS A 48 18.464 3.990 13.003 1.00 1.25 C ATOM 686 O LYS A 48 17.416 4.634 12.970 1.00 42.23 O ATOM 687 CB LYS A 48 19.497 4.312 15.259 1.00 75.34 C ATOM 688 CG LYS A 48 20.779 3.946 15.986 1.00 22.40 C ATOM 689 CD LYS A 48 20.534 3.722 17.469 1.00 43.34 C ATOM 690 CE LYS A 48 20.048 4.990 18.153 1.00 30.21 C ATOM 691 NZ LYS A 48 20.718 5.205 19.465 1.00 35.43 N1+ ATOM 0 H LYS A 48 19.064 6.502 13.494 1.00 71.53 H new ATOM 0 HA LYS A 48 20.560 3.959 13.422 1.00 65.33 H new ATOM 0 HB2 LYS A 48 19.091 5.225 15.693 1.00 75.34 H new ATOM 0 HB3 LYS A 48 18.759 3.526 15.422 1.00 75.34 H new ATOM 0 HG2 LYS A 48 21.203 3.043 15.546 1.00 22.40 H new ATOM 0 HG3 LYS A 48 21.513 4.741 15.853 1.00 22.40 H new ATOM 0 HD2 LYS A 48 19.796 2.931 17.601 1.00 43.34 H new ATOM 0 HD3 LYS A 48 21.455 3.382 17.943 1.00 43.34 H new ATOM 0 HE2 LYS A 48 20.235 5.846 17.505 1.00 30.21 H new ATOM 0 HE3 LYS A 48 18.970 4.932 18.301 1.00 30.21 H new ATOM 0 HZ1 LYS A 48 20.359 6.079 19.899 1.00 35.43 H new ATOM 0 HZ2 LYS A 48 20.519 4.400 20.093 1.00 35.43 H new ATOM 0 HZ3 LYS A 48 21.745 5.286 19.321 1.00 35.43 H new ATOM 705 N THR A 49 18.608 2.813 12.402 1.00 51.42 N ATOM 706 CA THR A 49 17.519 2.200 11.652 1.00 70.12 C ATOM 707 C THR A 49 16.310 1.947 12.546 1.00 10.11 C ATOM 708 O THR A 49 16.384 2.102 13.764 1.00 53.44 O ATOM 709 CB THR A 49 17.957 0.868 11.012 1.00 52.42 C ATOM 710 OG1 THR A 49 18.162 -0.119 12.029 1.00 74.22 O ATOM 711 CG2 THR A 49 19.236 1.049 10.208 1.00 34.12 C ATOM 0 H THR A 49 19.468 2.265 12.420 1.00 51.42 H new ATOM 0 HA THR A 49 17.245 2.901 10.864 1.00 70.12 H new ATOM 0 HB THR A 49 17.167 0.536 10.338 1.00 52.42 H new ATOM 0 HG1 THR A 49 17.415 -0.754 12.024 1.00 74.22 H new ATOM 0 HG21 THR A 49 19.526 0.096 9.766 1.00 34.12 H new ATOM 0 HG22 THR A 49 19.068 1.780 9.417 1.00 34.12 H new ATOM 0 HG23 THR A 49 20.032 1.401 10.864 1.00 34.12 H new ATOM 719 N SER A 50 15.197 1.558 11.932 1.00 34.50 N ATOM 720 CA SER A 50 13.970 1.287 12.672 1.00 20.42 C ATOM 721 C SER A 50 13.429 -0.099 12.339 1.00 73.51 C ATOM 722 O SER A 50 13.956 -0.789 11.467 1.00 35.41 O ATOM 723 CB SER A 50 12.915 2.349 12.357 1.00 43.22 C ATOM 724 OG SER A 50 13.387 3.648 12.671 1.00 64.44 O ATOM 0 H SER A 50 15.120 1.423 10.924 1.00 34.50 H new ATOM 0 HA SER A 50 14.202 1.320 13.737 1.00 20.42 H new ATOM 0 HB2 SER A 50 12.650 2.301 11.301 1.00 43.22 H new ATOM 0 HB3 SER A 50 12.007 2.142 12.923 1.00 43.22 H new ATOM 0 HG SER A 50 13.716 4.082 11.856 1.00 64.44 H new ATOM 730 N GLU A 51 12.374 -0.500 13.041 1.00 30.32 N ATOM 731 CA GLU A 51 11.762 -1.805 12.821 1.00 23.23 C ATOM 732 C GLU A 51 11.063 -1.856 11.465 1.00 40.22 C ATOM 733 O GLU A 51 10.608 -2.913 11.029 1.00 52.42 O ATOM 734 CB GLU A 51 10.761 -2.118 13.936 1.00 74.31 C ATOM 735 CG GLU A 51 9.801 -0.978 14.229 1.00 31.32 C ATOM 736 CD GLU A 51 8.347 -1.400 14.131 1.00 73.14 C ATOM 737 OE1 GLU A 51 7.989 -2.068 13.138 1.00 65.12 O1- ATOM 738 OE2 GLU A 51 7.569 -1.061 15.046 1.00 52.03 O ATOM 0 H GLU A 51 11.926 0.060 13.766 1.00 30.32 H new ATOM 0 HA GLU A 51 12.552 -2.555 12.831 1.00 23.23 H new ATOM 0 HB2 GLU A 51 10.188 -3.003 13.660 1.00 74.31 H new ATOM 0 HB3 GLU A 51 11.308 -2.364 14.846 1.00 74.31 H new ATOM 0 HG2 GLU A 51 9.997 -0.591 15.229 1.00 31.32 H new ATOM 0 HG3 GLU A 51 9.987 -0.163 13.530 1.00 31.32 H new ATOM 745 N SER A 52 10.982 -0.706 10.805 1.00 1.54 N ATOM 746 CA SER A 52 10.334 -0.617 9.501 1.00 44.12 C ATOM 747 C SER A 52 11.370 -0.561 8.383 1.00 3.03 C ATOM 748 O SER A 52 11.027 -0.438 7.208 1.00 54.51 O ATOM 749 CB SER A 52 9.432 0.617 9.438 1.00 55.52 C ATOM 750 OG SER A 52 8.898 0.793 8.138 1.00 34.12 O ATOM 0 H SER A 52 11.357 0.177 11.151 1.00 1.54 H new ATOM 0 HA SER A 52 9.725 -1.510 9.364 1.00 44.12 H new ATOM 0 HB2 SER A 52 8.620 0.514 10.157 1.00 55.52 H new ATOM 0 HB3 SER A 52 10.001 1.502 9.724 1.00 55.52 H new ATOM 0 HG SER A 52 9.382 0.223 7.505 1.00 34.12 H new ATOM 756 N GLY A 53 12.643 -0.652 8.759 1.00 14.45 N ATOM 757 CA GLY A 53 13.710 -0.610 7.777 1.00 40.03 C ATOM 758 C GLY A 53 13.877 0.764 7.160 1.00 14.23 C ATOM 759 O GLY A 53 14.384 0.895 6.046 1.00 21.34 O ATOM 0 H GLY A 53 12.953 -0.754 9.725 1.00 14.45 H new ATOM 0 HA2 GLY A 53 14.646 -0.909 8.249 1.00 40.03 H new ATOM 0 HA3 GLY A 53 13.504 -1.336 6.990 1.00 40.03 H new ATOM 763 N GLU A 54 13.446 1.793 7.885 1.00 31.13 N ATOM 764 CA GLU A 54 13.549 3.164 7.399 1.00 52.11 C ATOM 765 C GLU A 54 14.168 4.071 8.459 1.00 0.31 C ATOM 766 O GLU A 54 14.017 3.836 9.659 1.00 51.32 O ATOM 767 CB GLU A 54 12.168 3.693 7.004 1.00 40.52 C ATOM 768 CG GLU A 54 11.153 3.649 8.134 1.00 10.03 C ATOM 769 CD GLU A 54 9.722 3.649 7.632 1.00 73.01 C ATOM 770 OE1 GLU A 54 9.525 3.641 6.399 1.00 75.13 O1- ATOM 771 OE2 GLU A 54 8.799 3.657 8.473 1.00 31.31 O ATOM 0 H GLU A 54 13.023 1.703 8.809 1.00 31.13 H new ATOM 0 HA GLU A 54 14.196 3.164 6.522 1.00 52.11 H new ATOM 0 HB2 GLU A 54 12.268 4.721 6.657 1.00 40.52 H new ATOM 0 HB3 GLU A 54 11.791 3.108 6.165 1.00 40.52 H new ATOM 0 HG2 GLU A 54 11.323 2.756 8.736 1.00 10.03 H new ATOM 0 HG3 GLU A 54 11.305 4.508 8.788 1.00 10.03 H new ATOM 778 N LEU A 55 14.866 5.108 8.007 1.00 5.54 N ATOM 779 CA LEU A 55 15.510 6.050 8.915 1.00 34.15 C ATOM 780 C LEU A 55 15.102 7.484 8.590 1.00 70.31 C ATOM 781 O LEU A 55 15.462 8.021 7.542 1.00 34.41 O ATOM 782 CB LEU A 55 17.031 5.910 8.834 1.00 4.21 C ATOM 783 CG LEU A 55 17.752 5.645 10.155 1.00 2.23 C ATOM 784 CD1 LEU A 55 19.162 5.135 9.901 1.00 50.42 C ATOM 785 CD2 LEU A 55 17.785 6.906 11.007 1.00 14.12 C ATOM 0 H LEU A 55 15.000 5.317 7.018 1.00 5.54 H new ATOM 0 HA LEU A 55 15.184 5.819 9.929 1.00 34.15 H new ATOM 0 HB2 LEU A 55 17.265 5.097 8.146 1.00 4.21 H new ATOM 0 HB3 LEU A 55 17.437 6.823 8.398 1.00 4.21 H new ATOM 0 HG LEU A 55 17.202 4.877 10.699 1.00 2.23 H new ATOM 0 HD11 LEU A 55 19.660 4.952 10.853 1.00 50.42 H new ATOM 0 HD12 LEU A 55 19.116 4.207 9.331 1.00 50.42 H new ATOM 0 HD13 LEU A 55 19.722 5.880 9.336 1.00 50.42 H new ATOM 0 HD21 LEU A 55 18.302 6.699 11.944 1.00 14.12 H new ATOM 0 HD22 LEU A 55 18.311 7.695 10.469 1.00 14.12 H new ATOM 0 HD23 LEU A 55 16.766 7.229 11.219 1.00 14.12 H new ATOM 797 N HIS A 56 14.350 8.099 9.497 1.00 5.15 N ATOM 798 CA HIS A 56 13.894 9.472 9.308 1.00 13.42 C ATOM 799 C HIS A 56 14.827 10.455 10.009 1.00 51.22 C ATOM 800 O HIS A 56 14.968 10.430 11.231 1.00 34.12 O ATOM 801 CB HIS A 56 12.470 9.637 9.838 1.00 32.12 C ATOM 802 CG HIS A 56 12.300 9.174 11.252 1.00 53.30 C ATOM 803 ND1 HIS A 56 12.003 7.869 11.586 1.00 23.11 N ATOM 804 CD2 HIS A 56 12.387 9.849 12.422 1.00 72.43 C ATOM 805 CE1 HIS A 56 11.914 7.762 12.899 1.00 1.32 C ATOM 806 NE2 HIS A 56 12.144 8.949 13.430 1.00 3.25 N ATOM 0 H HIS A 56 14.043 7.669 10.370 1.00 5.15 H new ATOM 0 HA HIS A 56 13.903 9.688 8.240 1.00 13.42 H new ATOM 0 HB2 HIS A 56 12.186 10.687 9.772 1.00 32.12 H new ATOM 0 HB3 HIS A 56 11.786 9.081 9.197 1.00 32.12 H new ATOM 0 HD2 HIS A 56 12.607 10.900 12.541 1.00 72.43 H new ATOM 0 HE1 HIS A 56 11.691 6.858 13.446 1.00 1.32 H new ATOM 0 HE2 HIS A 56 12.142 9.163 14.427 1.00 3.25 H new ATOM 814 N GLY A 57 15.465 11.320 9.225 1.00 61.41 N ATOM 815 CA GLY A 57 16.378 12.298 9.787 1.00 74.22 C ATOM 816 C GLY A 57 17.682 12.383 9.021 1.00 32.15 C ATOM 817 O GLY A 57 18.459 13.322 9.203 1.00 74.24 O ATOM 0 H GLY A 57 15.365 11.360 8.211 1.00 61.41 H new ATOM 0 HA2 GLY A 57 15.899 13.277 9.791 1.00 74.22 H new ATOM 0 HA3 GLY A 57 16.587 12.041 10.825 1.00 74.22 H new ATOM 821 N LEU A 58 17.926 11.400 8.161 1.00 71.24 N ATOM 822 CA LEU A 58 19.148 11.366 7.364 1.00 13.14 C ATOM 823 C LEU A 58 18.948 12.083 6.033 1.00 72.13 C ATOM 824 O LEU A 58 19.786 11.992 5.134 1.00 54.40 O ATOM 825 CB LEU A 58 19.579 9.920 7.117 1.00 52.25 C ATOM 826 CG LEU A 58 19.606 9.008 8.345 1.00 45.12 C ATOM 827 CD1 LEU A 58 20.220 7.661 7.997 1.00 71.41 C ATOM 828 CD2 LEU A 58 20.373 9.668 9.482 1.00 33.14 C ATOM 0 H LEU A 58 17.294 10.616 7.998 1.00 71.24 H new ATOM 0 HA LEU A 58 19.931 11.882 7.920 1.00 13.14 H new ATOM 0 HB2 LEU A 58 18.906 9.483 6.379 1.00 52.25 H new ATOM 0 HB3 LEU A 58 20.575 9.929 6.674 1.00 52.25 H new ATOM 0 HG LEU A 58 18.580 8.842 8.673 1.00 45.12 H new ATOM 0 HD11 LEU A 58 20.231 7.026 8.883 1.00 71.41 H new ATOM 0 HD12 LEU A 58 19.630 7.183 7.215 1.00 71.41 H new ATOM 0 HD13 LEU A 58 21.241 7.807 7.643 1.00 71.41 H new ATOM 0 HD21 LEU A 58 20.382 9.005 10.347 1.00 33.14 H new ATOM 0 HD22 LEU A 58 21.397 9.864 9.164 1.00 33.14 H new ATOM 0 HD23 LEU A 58 19.890 10.608 9.750 1.00 33.14 H new ATOM 840 N THR A 59 17.835 12.800 5.913 1.00 63.43 N ATOM 841 CA THR A 59 17.526 13.535 4.692 1.00 22.11 C ATOM 842 C THR A 59 17.765 15.029 4.875 1.00 64.24 C ATOM 843 O THR A 59 17.204 15.654 5.775 1.00 72.41 O ATOM 844 CB THR A 59 16.067 13.310 4.255 1.00 73.42 C ATOM 845 OG1 THR A 59 15.173 13.782 5.268 1.00 35.32 O ATOM 846 CG2 THR A 59 15.804 11.835 3.987 1.00 74.22 C ATOM 0 H THR A 59 17.132 12.887 6.647 1.00 63.43 H new ATOM 0 HA THR A 59 18.192 13.155 3.917 1.00 22.11 H new ATOM 0 HB THR A 59 15.897 13.867 3.334 1.00 73.42 H new ATOM 0 HG1 THR A 59 15.612 14.487 5.789 1.00 35.32 H new ATOM 0 HG21 THR A 59 14.767 11.700 3.680 1.00 74.22 H new ATOM 0 HG22 THR A 59 16.466 11.486 3.194 1.00 74.22 H new ATOM 0 HG23 THR A 59 15.991 11.261 4.895 1.00 74.22 H new ATOM 854 N THR A 60 18.602 15.600 4.013 1.00 12.24 N ATOM 855 CA THR A 60 18.915 17.022 4.080 1.00 43.44 C ATOM 856 C THR A 60 19.275 17.571 2.703 1.00 34.10 C ATOM 857 O THR A 60 19.262 16.842 1.713 1.00 22.23 O ATOM 858 CB THR A 60 20.079 17.296 5.050 1.00 21.12 C ATOM 859 OG1 THR A 60 21.201 16.471 4.715 1.00 74.34 O ATOM 860 CG2 THR A 60 19.660 17.030 6.488 1.00 41.12 C ATOM 0 H THR A 60 19.075 15.099 3.261 1.00 12.24 H new ATOM 0 HA THR A 60 18.021 17.526 4.447 1.00 43.44 H new ATOM 0 HB THR A 60 20.359 18.345 4.958 1.00 21.12 H new ATOM 0 HG1 THR A 60 21.937 16.653 5.336 1.00 74.34 H new ATOM 0 HG21 THR A 60 20.499 17.231 7.154 1.00 41.12 H new ATOM 0 HG22 THR A 60 18.825 17.680 6.750 1.00 41.12 H new ATOM 0 HG23 THR A 60 19.355 15.989 6.591 1.00 41.12 H new ATOM 868 N GLU A 61 19.596 18.860 2.651 1.00 14.50 N ATOM 869 CA GLU A 61 19.959 19.505 1.395 1.00 24.54 C ATOM 870 C GLU A 61 21.262 18.930 0.845 1.00 54.52 C ATOM 871 O GLU A 61 21.583 19.107 -0.329 1.00 63.11 O ATOM 872 CB GLU A 61 20.100 21.016 1.593 1.00 35.23 C ATOM 873 CG GLU A 61 21.096 21.397 2.675 1.00 25.21 C ATOM 874 CD GLU A 61 21.402 22.883 2.689 1.00 70.35 C ATOM 875 OE1 GLU A 61 21.698 23.438 1.611 1.00 13.54 O1- ATOM 876 OE2 GLU A 61 21.344 23.490 3.778 1.00 33.30 O ATOM 0 H GLU A 61 19.612 19.477 3.463 1.00 14.50 H new ATOM 0 HA GLU A 61 19.164 19.313 0.675 1.00 24.54 H new ATOM 0 HB2 GLU A 61 20.408 21.470 0.651 1.00 35.23 H new ATOM 0 HB3 GLU A 61 19.125 21.434 1.845 1.00 35.23 H new ATOM 0 HG2 GLU A 61 20.701 21.102 3.647 1.00 25.21 H new ATOM 0 HG3 GLU A 61 22.021 20.841 2.524 1.00 25.21 H new ATOM 883 N GLU A 62 22.007 18.242 1.704 1.00 72.32 N ATOM 884 CA GLU A 62 23.275 17.642 1.305 1.00 31.42 C ATOM 885 C GLU A 62 23.068 16.633 0.178 1.00 1.45 C ATOM 886 O GLU A 62 24.009 16.285 -0.536 1.00 71.41 O ATOM 887 CB GLU A 62 23.941 16.960 2.501 1.00 1.21 C ATOM 888 CG GLU A 62 24.995 17.816 3.181 1.00 10.03 C ATOM 889 CD GLU A 62 25.900 17.012 4.096 1.00 2.43 C ATOM 890 OE1 GLU A 62 26.937 16.513 3.613 1.00 75.13 O ATOM 891 OE2 GLU A 62 25.569 16.883 5.292 1.00 32.10 O1- ATOM 0 H GLU A 62 21.755 18.086 2.680 1.00 72.32 H new ATOM 0 HA GLU A 62 23.926 18.437 0.942 1.00 31.42 H new ATOM 0 HB2 GLU A 62 23.175 16.695 3.230 1.00 1.21 H new ATOM 0 HB3 GLU A 62 24.400 16.029 2.168 1.00 1.21 H new ATOM 0 HG2 GLU A 62 25.600 18.312 2.422 1.00 10.03 H new ATOM 0 HG3 GLU A 62 24.504 18.599 3.759 1.00 10.03 H new ATOM 898 N GLU A 63 21.833 16.168 0.028 1.00 1.55 N ATOM 899 CA GLU A 63 21.504 15.198 -1.010 1.00 2.15 C ATOM 900 C GLU A 63 21.658 15.812 -2.398 1.00 33.05 C ATOM 901 O GLU A 63 21.692 15.102 -3.403 1.00 33.04 O ATOM 902 CB GLU A 63 20.075 14.683 -0.824 1.00 4.33 C ATOM 903 CG GLU A 63 19.010 15.722 -1.133 1.00 54.34 C ATOM 904 CD GLU A 63 17.614 15.252 -0.768 1.00 22.40 C ATOM 905 OE1 GLU A 63 17.457 14.642 0.310 1.00 61.14 O ATOM 906 OE2 GLU A 63 16.680 15.493 -1.560 1.00 12.13 O1- ATOM 0 H GLU A 63 21.044 16.447 0.611 1.00 1.55 H new ATOM 0 HA GLU A 63 22.198 14.362 -0.923 1.00 2.15 H new ATOM 0 HB2 GLU A 63 19.923 13.816 -1.468 1.00 4.33 H new ATOM 0 HB3 GLU A 63 19.951 14.342 0.204 1.00 4.33 H new ATOM 0 HG2 GLU A 63 19.234 16.640 -0.589 1.00 54.34 H new ATOM 0 HG3 GLU A 63 19.042 15.965 -2.195 1.00 54.34 H new ATOM 913 N PHE A 64 21.752 17.137 -2.445 1.00 14.24 N ATOM 914 CA PHE A 64 21.902 17.848 -3.709 1.00 42.31 C ATOM 915 C PHE A 64 23.342 17.775 -4.208 1.00 11.50 C ATOM 916 O PHE A 64 24.001 18.799 -4.387 1.00 32.43 O ATOM 917 CB PHE A 64 21.479 19.310 -3.549 1.00 12.40 C ATOM 918 CG PHE A 64 19.991 19.514 -3.607 1.00 41.53 C ATOM 919 CD1 PHE A 64 19.272 19.146 -4.732 1.00 43.22 C ATOM 920 CD2 PHE A 64 19.313 20.072 -2.535 1.00 45.43 C ATOM 921 CE1 PHE A 64 17.903 19.333 -4.788 1.00 2.15 C ATOM 922 CE2 PHE A 64 17.946 20.262 -2.585 1.00 42.01 C ATOM 923 CZ PHE A 64 17.239 19.891 -3.713 1.00 13.33 C ATOM 0 H PHE A 64 21.727 17.740 -1.622 1.00 14.24 H new ATOM 0 HA PHE A 64 21.257 17.368 -4.445 1.00 42.31 H new ATOM 0 HB2 PHE A 64 21.852 19.686 -2.596 1.00 12.40 H new ATOM 0 HB3 PHE A 64 21.950 19.904 -4.332 1.00 12.40 H new ATOM 0 HD1 PHE A 64 19.786 18.708 -5.575 1.00 43.22 H new ATOM 0 HD2 PHE A 64 19.860 20.362 -1.650 1.00 45.43 H new ATOM 0 HE1 PHE A 64 17.354 19.043 -5.671 1.00 2.15 H new ATOM 0 HE2 PHE A 64 17.430 20.700 -1.743 1.00 42.01 H new ATOM 0 HZ PHE A 64 16.170 20.037 -3.754 1.00 13.33 H new ATOM 933 N VAL A 65 23.824 16.556 -4.429 1.00 14.35 N ATOM 934 CA VAL A 65 25.186 16.348 -4.907 1.00 53.13 C ATOM 935 C VAL A 65 25.206 15.434 -6.127 1.00 62.20 C ATOM 936 O VAL A 65 24.158 15.017 -6.619 1.00 61.02 O ATOM 937 CB VAL A 65 26.079 15.740 -3.809 1.00 52.31 C ATOM 938 CG1 VAL A 65 26.284 16.735 -2.677 1.00 53.55 C ATOM 939 CG2 VAL A 65 25.476 14.444 -3.289 1.00 75.10 C ATOM 0 H VAL A 65 23.292 15.698 -4.285 1.00 14.35 H new ATOM 0 HA VAL A 65 25.578 17.327 -5.183 1.00 53.13 H new ATOM 0 HB VAL A 65 27.053 15.512 -4.241 1.00 52.31 H new ATOM 0 HG11 VAL A 65 26.917 16.288 -1.910 1.00 53.55 H new ATOM 0 HG12 VAL A 65 26.763 17.634 -3.065 1.00 53.55 H new ATOM 0 HG13 VAL A 65 25.319 16.997 -2.243 1.00 53.55 H new ATOM 0 HG21 VAL A 65 26.120 14.028 -2.514 1.00 75.10 H new ATOM 0 HG22 VAL A 65 24.489 14.644 -2.872 1.00 75.10 H new ATOM 0 HG23 VAL A 65 25.386 13.730 -4.108 1.00 75.10 H new ATOM 949 N GLU A 66 26.406 15.127 -6.610 1.00 2.51 N ATOM 950 CA GLU A 66 26.562 14.262 -7.773 1.00 74.43 C ATOM 951 C GLU A 66 25.759 12.976 -7.606 1.00 23.21 C ATOM 952 O GLU A 66 24.955 12.617 -8.466 1.00 2.04 O ATOM 953 CB GLU A 66 28.039 13.930 -7.995 1.00 20.43 C ATOM 954 CG GLU A 66 28.890 15.140 -8.341 1.00 34.14 C ATOM 955 CD GLU A 66 28.983 15.379 -9.837 1.00 41.54 C ATOM 956 OE1 GLU A 66 29.408 14.453 -10.560 1.00 71.33 O ATOM 957 OE2 GLU A 66 28.631 16.491 -10.282 1.00 10.42 O1- ATOM 0 H GLU A 66 27.283 15.464 -6.214 1.00 2.51 H new ATOM 0 HA GLU A 66 26.183 14.796 -8.644 1.00 74.43 H new ATOM 0 HB2 GLU A 66 28.437 13.462 -7.094 1.00 20.43 H new ATOM 0 HB3 GLU A 66 28.121 13.197 -8.798 1.00 20.43 H new ATOM 0 HG2 GLU A 66 28.470 16.024 -7.861 1.00 34.14 H new ATOM 0 HG3 GLU A 66 29.892 15.003 -7.936 1.00 34.14 H new ATOM 964 N GLY A 67 25.984 12.284 -6.493 1.00 71.33 N ATOM 965 CA GLY A 67 25.275 11.045 -6.233 1.00 61.34 C ATOM 966 C GLY A 67 26.084 10.081 -5.389 1.00 70.12 C ATOM 967 O GLY A 67 25.544 9.117 -4.846 1.00 52.23 O ATOM 0 H GLY A 67 26.645 12.560 -5.767 1.00 71.33 H new ATOM 0 HA2 GLY A 67 24.336 11.267 -5.726 1.00 61.34 H new ATOM 0 HA3 GLY A 67 25.021 10.569 -7.180 1.00 61.34 H new ATOM 971 N ILE A 68 27.383 10.340 -5.278 1.00 31.34 N ATOM 972 CA ILE A 68 28.267 9.486 -4.493 1.00 24.21 C ATOM 973 C ILE A 68 27.891 9.515 -3.016 1.00 41.21 C ATOM 974 O ILE A 68 27.914 10.570 -2.380 1.00 52.24 O ATOM 975 CB ILE A 68 29.739 9.911 -4.645 1.00 2.11 C ATOM 976 CG1 ILE A 68 30.125 9.972 -6.125 1.00 53.05 C ATOM 977 CG2 ILE A 68 30.648 8.949 -3.895 1.00 43.11 C ATOM 978 CD1 ILE A 68 31.456 10.647 -6.376 1.00 24.51 C ATOM 0 H ILE A 68 27.846 11.133 -5.721 1.00 31.34 H new ATOM 0 HA ILE A 68 28.148 8.472 -4.875 1.00 24.21 H new ATOM 0 HB ILE A 68 29.861 10.905 -4.216 1.00 2.11 H new ATOM 0 HG12 ILE A 68 30.160 8.959 -6.525 1.00 53.05 H new ATOM 0 HG13 ILE A 68 29.348 10.505 -6.673 1.00 53.05 H new ATOM 0 HG21 ILE A 68 31.685 9.263 -4.012 1.00 43.11 H new ATOM 0 HG22 ILE A 68 30.386 8.950 -2.837 1.00 43.11 H new ATOM 0 HG23 ILE A 68 30.525 7.944 -4.298 1.00 43.11 H new ATOM 0 HD11 ILE A 68 31.664 10.654 -7.446 1.00 24.51 H new ATOM 0 HD12 ILE A 68 31.420 11.672 -6.007 1.00 24.51 H new ATOM 0 HD13 ILE A 68 32.244 10.102 -5.856 1.00 24.51 H new ATOM 990 N TYR A 69 27.549 8.352 -2.475 1.00 43.21 N ATOM 991 CA TYR A 69 27.168 8.244 -1.072 1.00 1.03 C ATOM 992 C TYR A 69 27.765 6.990 -0.440 1.00 42.24 C ATOM 993 O TYR A 69 27.665 5.894 -0.992 1.00 25.42 O ATOM 994 CB TYR A 69 25.644 8.220 -0.936 1.00 41.35 C ATOM 995 CG TYR A 69 24.966 9.447 -1.504 1.00 60.55 C ATOM 996 CD1 TYR A 69 25.335 10.722 -1.094 1.00 42.53 C ATOM 997 CD2 TYR A 69 23.957 9.330 -2.452 1.00 31.35 C ATOM 998 CE1 TYR A 69 24.718 11.844 -1.610 1.00 61.22 C ATOM 999 CE2 TYR A 69 23.335 10.448 -2.975 1.00 73.53 C ATOM 1000 CZ TYR A 69 23.719 11.702 -2.551 1.00 22.23 C ATOM 1001 OH TYR A 69 23.102 12.819 -3.067 1.00 34.52 O ATOM 0 H TYR A 69 27.528 7.470 -2.987 1.00 43.21 H new ATOM 0 HA TYR A 69 27.560 9.116 -0.548 1.00 1.03 H new ATOM 0 HB2 TYR A 69 25.256 7.335 -1.440 1.00 41.35 H new ATOM 0 HB3 TYR A 69 25.383 8.126 0.118 1.00 41.35 H new ATOM 0 HD1 TYR A 69 26.118 10.837 -0.359 1.00 42.53 H new ATOM 0 HD2 TYR A 69 23.654 8.349 -2.786 1.00 31.35 H new ATOM 0 HE1 TYR A 69 25.016 12.828 -1.279 1.00 61.22 H new ATOM 0 HE2 TYR A 69 22.553 10.340 -3.712 1.00 73.53 H new ATOM 0 HH TYR A 69 22.422 12.546 -3.718 1.00 34.52 H new ATOM 1011 N LYS A 70 28.387 7.160 0.722 1.00 53.02 N ATOM 1012 CA LYS A 70 28.999 6.044 1.433 1.00 22.35 C ATOM 1013 C LYS A 70 28.438 5.925 2.846 1.00 44.40 C ATOM 1014 O LYS A 70 28.790 6.703 3.732 1.00 32.24 O ATOM 1015 CB LYS A 70 30.518 6.222 1.489 1.00 11.12 C ATOM 1016 CG LYS A 70 30.953 7.607 1.935 1.00 64.32 C ATOM 1017 CD LYS A 70 31.929 8.231 0.952 1.00 64.11 C ATOM 1018 CE LYS A 70 31.286 8.447 -0.410 1.00 50.51 C ATOM 1019 NZ LYS A 70 31.722 7.422 -1.398 1.00 34.32 N1+ ATOM 0 H LYS A 70 28.480 8.061 1.191 1.00 53.02 H new ATOM 0 HA LYS A 70 28.765 5.128 0.891 1.00 22.35 H new ATOM 0 HB2 LYS A 70 30.937 5.482 2.171 1.00 11.12 H new ATOM 0 HB3 LYS A 70 30.936 6.019 0.503 1.00 11.12 H new ATOM 0 HG2 LYS A 70 30.078 8.249 2.036 1.00 64.32 H new ATOM 0 HG3 LYS A 70 31.417 7.544 2.919 1.00 64.32 H new ATOM 0 HD2 LYS A 70 32.282 9.185 1.344 1.00 64.11 H new ATOM 0 HD3 LYS A 70 32.802 7.587 0.846 1.00 64.11 H new ATOM 0 HE2 LYS A 70 30.201 8.415 -0.309 1.00 50.51 H new ATOM 0 HE3 LYS A 70 31.543 9.440 -0.779 1.00 50.51 H new ATOM 0 HZ1 LYS A 70 32.377 7.854 -2.080 1.00 34.32 H new ATOM 0 HZ2 LYS A 70 32.202 6.644 -0.902 1.00 34.32 H new ATOM 0 HZ3 LYS A 70 30.892 7.051 -1.903 1.00 34.32 H new ATOM 1033 N VAL A 71 27.564 4.944 3.049 1.00 65.12 N ATOM 1034 CA VAL A 71 26.956 4.722 4.355 1.00 43.30 C ATOM 1035 C VAL A 71 27.643 3.579 5.094 1.00 4.12 C ATOM 1036 O VAL A 71 28.076 2.603 4.482 1.00 32.12 O ATOM 1037 CB VAL A 71 25.454 4.405 4.229 1.00 43.54 C ATOM 1038 CG1 VAL A 71 24.841 4.165 5.600 1.00 72.13 C ATOM 1039 CG2 VAL A 71 24.732 5.532 3.504 1.00 13.51 C ATOM 0 H VAL A 71 27.262 4.291 2.326 1.00 65.12 H new ATOM 0 HA VAL A 71 27.079 5.645 4.922 1.00 43.30 H new ATOM 0 HB VAL A 71 25.341 3.493 3.643 1.00 43.54 H new ATOM 0 HG11 VAL A 71 23.780 3.943 5.490 1.00 72.13 H new ATOM 0 HG12 VAL A 71 25.340 3.323 6.080 1.00 72.13 H new ATOM 0 HG13 VAL A 71 24.963 5.057 6.214 1.00 72.13 H new ATOM 0 HG21 VAL A 71 23.672 5.292 3.423 1.00 13.51 H new ATOM 0 HG22 VAL A 71 24.853 6.460 4.063 1.00 13.51 H new ATOM 0 HG23 VAL A 71 25.154 5.652 2.506 1.00 13.51 H new ATOM 1049 N GLU A 72 27.741 3.709 6.414 1.00 21.11 N ATOM 1050 CA GLU A 72 28.377 2.686 7.236 1.00 23.21 C ATOM 1051 C GLU A 72 27.440 2.220 8.346 1.00 64.10 C ATOM 1052 O GLU A 72 26.748 3.027 8.968 1.00 4.11 O ATOM 1053 CB GLU A 72 29.676 3.222 7.841 1.00 23.23 C ATOM 1054 CG GLU A 72 29.479 3.944 9.163 1.00 11.22 C ATOM 1055 CD GLU A 72 30.580 4.945 9.451 1.00 2.12 C ATOM 1056 OE1 GLU A 72 31.515 5.051 8.630 1.00 13.44 O ATOM 1057 OE2 GLU A 72 30.508 5.624 10.497 1.00 15.25 O1- ATOM 0 H GLU A 72 27.389 4.511 6.936 1.00 21.11 H new ATOM 0 HA GLU A 72 28.607 1.833 6.597 1.00 23.21 H new ATOM 0 HB2 GLU A 72 30.367 2.392 7.989 1.00 23.23 H new ATOM 0 HB3 GLU A 72 30.144 3.904 7.131 1.00 23.23 H new ATOM 0 HG2 GLU A 72 28.519 4.459 9.152 1.00 11.22 H new ATOM 0 HG3 GLU A 72 29.438 3.212 9.970 1.00 11.22 H new ATOM 1064 N ILE A 73 27.423 0.913 8.589 1.00 64.22 N ATOM 1065 CA ILE A 73 26.572 0.340 9.624 1.00 54.32 C ATOM 1066 C ILE A 73 27.405 -0.294 10.732 1.00 14.42 C ATOM 1067 O ILE A 73 28.352 -1.035 10.465 1.00 11.03 O ATOM 1068 CB ILE A 73 25.618 -0.721 9.044 1.00 65.52 C ATOM 1069 CG1 ILE A 73 24.712 -0.098 7.980 1.00 2.33 C ATOM 1070 CG2 ILE A 73 24.787 -1.349 10.153 1.00 24.31 C ATOM 1071 CD1 ILE A 73 24.707 -0.855 6.671 1.00 1.34 C ATOM 0 H ILE A 73 27.989 0.232 8.083 1.00 64.22 H new ATOM 0 HA ILE A 73 25.984 1.159 10.038 1.00 54.32 H new ATOM 0 HB ILE A 73 26.213 -1.504 8.574 1.00 65.52 H new ATOM 0 HG12 ILE A 73 23.694 -0.049 8.365 1.00 2.33 H new ATOM 0 HG13 ILE A 73 25.033 0.927 7.796 1.00 2.33 H new ATOM 0 HG21 ILE A 73 24.118 -2.097 9.727 1.00 24.31 H new ATOM 0 HG22 ILE A 73 25.448 -1.824 10.878 1.00 24.31 H new ATOM 0 HG23 ILE A 73 24.199 -0.577 10.649 1.00 24.31 H new ATOM 0 HD11 ILE A 73 24.043 -0.356 5.965 1.00 1.34 H new ATOM 0 HD12 ILE A 73 25.717 -0.882 6.263 1.00 1.34 H new ATOM 0 HD13 ILE A 73 24.357 -1.873 6.841 1.00 1.34 H new ATOM 1083 N ASP A 74 27.047 0.001 11.977 1.00 44.44 N ATOM 1084 CA ASP A 74 27.760 -0.542 13.127 1.00 10.11 C ATOM 1085 C ASP A 74 26.947 -1.644 13.800 1.00 13.42 C ATOM 1086 O ASP A 74 26.369 -1.440 14.868 1.00 64.24 O ATOM 1087 CB ASP A 74 28.068 0.567 14.133 1.00 20.22 C ATOM 1088 CG ASP A 74 29.488 1.083 14.009 1.00 1.12 C ATOM 1089 OD1 ASP A 74 30.000 1.143 12.871 1.00 11.04 O ATOM 1090 OD2 ASP A 74 30.087 1.428 15.048 1.00 62.12 O1- ATOM 0 H ASP A 74 26.267 0.613 12.215 1.00 44.44 H new ATOM 0 HA ASP A 74 28.697 -0.971 12.772 1.00 10.11 H new ATOM 0 HB2 ASP A 74 27.371 1.392 13.985 1.00 20.22 H new ATOM 0 HB3 ASP A 74 27.908 0.191 15.144 1.00 20.22 H new ATOM 1095 N THR A 75 26.905 -2.812 13.167 1.00 2.21 N ATOM 1096 CA THR A 75 26.161 -3.945 13.703 1.00 43.11 C ATOM 1097 C THR A 75 27.099 -4.974 14.324 1.00 52.03 C ATOM 1098 O THR A 75 26.656 -5.999 14.842 1.00 42.55 O ATOM 1099 CB THR A 75 25.317 -4.630 12.611 1.00 63.11 C ATOM 1100 OG1 THR A 75 24.787 -5.865 13.104 1.00 13.12 O ATOM 1101 CG2 THR A 75 26.153 -4.892 11.367 1.00 71.34 C ATOM 0 H THR A 75 27.378 -2.998 12.282 1.00 2.21 H new ATOM 0 HA THR A 75 25.497 -3.552 14.472 1.00 43.11 H new ATOM 0 HB THR A 75 24.496 -3.964 12.345 1.00 63.11 H new ATOM 0 HG1 THR A 75 24.050 -5.681 13.723 1.00 13.12 H new ATOM 0 HG21 THR A 75 25.536 -5.376 10.610 1.00 71.34 H new ATOM 0 HG22 THR A 75 26.531 -3.947 10.977 1.00 71.34 H new ATOM 0 HG23 THR A 75 26.991 -5.541 11.622 1.00 71.34 H new ATOM 1109 N LYS A 76 28.396 -4.693 14.272 1.00 11.51 N ATOM 1110 CA LYS A 76 29.398 -5.593 14.831 1.00 2.32 C ATOM 1111 C LYS A 76 29.316 -5.618 16.354 1.00 63.31 C ATOM 1112 O LYS A 76 29.378 -6.681 16.972 1.00 10.13 O ATOM 1113 CB LYS A 76 30.799 -5.166 14.392 1.00 70.33 C ATOM 1114 CG LYS A 76 31.128 -3.722 14.727 1.00 30.31 C ATOM 1115 CD LYS A 76 31.947 -3.617 16.002 1.00 0.13 C ATOM 1116 CE LYS A 76 33.438 -3.712 15.717 1.00 10.32 C ATOM 1117 NZ LYS A 76 34.047 -2.372 15.496 1.00 64.52 N1+ ATOM 0 H LYS A 76 28.779 -3.848 13.848 1.00 11.51 H new ATOM 0 HA LYS A 76 29.198 -6.597 14.457 1.00 2.32 H new ATOM 0 HB2 LYS A 76 31.533 -5.817 14.867 1.00 70.33 H new ATOM 0 HB3 LYS A 76 30.893 -5.311 13.316 1.00 70.33 H new ATOM 0 HG2 LYS A 76 31.680 -3.273 13.901 1.00 30.31 H new ATOM 0 HG3 LYS A 76 30.204 -3.154 14.839 1.00 30.31 H new ATOM 0 HD2 LYS A 76 31.730 -2.671 16.498 1.00 0.13 H new ATOM 0 HD3 LYS A 76 31.656 -4.411 16.689 1.00 0.13 H new ATOM 0 HE2 LYS A 76 33.937 -4.204 16.552 1.00 10.32 H new ATOM 0 HE3 LYS A 76 33.601 -4.334 14.837 1.00 10.32 H new ATOM 0 HZ1 LYS A 76 35.064 -2.480 15.305 1.00 64.52 H new ATOM 0 HZ2 LYS A 76 33.589 -1.912 14.683 1.00 64.52 H new ATOM 0 HZ3 LYS A 76 33.915 -1.786 16.345 1.00 64.52 H new ATOM 1131 N SER A 77 29.176 -4.440 16.954 1.00 12.32 N ATOM 1132 CA SER A 77 29.087 -4.326 18.405 1.00 40.54 C ATOM 1133 C SER A 77 27.638 -4.431 18.871 1.00 72.24 C ATOM 1134 O SER A 77 27.337 -5.123 19.844 1.00 3.31 O ATOM 1135 CB SER A 77 29.691 -3.000 18.872 1.00 24.54 C ATOM 1136 OG SER A 77 29.534 -1.995 17.886 1.00 62.42 O ATOM 0 H SER A 77 29.122 -3.551 16.457 1.00 12.32 H new ATOM 0 HA SER A 77 29.652 -5.148 18.844 1.00 40.54 H new ATOM 0 HB2 SER A 77 29.211 -2.684 19.798 1.00 24.54 H new ATOM 0 HB3 SER A 77 30.750 -3.136 19.092 1.00 24.54 H new ATOM 0 HG SER A 77 29.926 -1.157 18.208 1.00 62.42 H new ATOM 1142 N TYR A 78 26.747 -3.739 18.171 1.00 33.14 N ATOM 1143 CA TYR A 78 25.331 -3.751 18.514 1.00 43.04 C ATOM 1144 C TYR A 78 24.807 -5.180 18.620 1.00 22.45 C ATOM 1145 O TYR A 78 23.843 -5.448 19.336 1.00 1.02 O ATOM 1146 CB TYR A 78 24.524 -2.978 17.469 1.00 4.32 C ATOM 1147 CG TYR A 78 24.101 -1.601 17.927 1.00 61.13 C ATOM 1148 CD1 TYR A 78 23.005 -1.433 18.764 1.00 52.42 C ATOM 1149 CD2 TYR A 78 24.796 -0.468 17.522 1.00 50.52 C ATOM 1150 CE1 TYR A 78 22.614 -0.177 19.186 1.00 61.52 C ATOM 1151 CE2 TYR A 78 24.412 0.792 17.940 1.00 70.55 C ATOM 1152 CZ TYR A 78 23.321 0.932 18.771 1.00 70.05 C ATOM 1153 OH TYR A 78 22.936 2.186 19.188 1.00 34.34 O ATOM 0 H TYR A 78 26.980 -3.163 17.362 1.00 33.14 H new ATOM 0 HA TYR A 78 25.216 -3.268 19.484 1.00 43.04 H new ATOM 0 HB2 TYR A 78 25.119 -2.883 16.561 1.00 4.32 H new ATOM 0 HB3 TYR A 78 23.636 -3.554 17.209 1.00 4.32 H new ATOM 0 HD1 TYR A 78 22.449 -2.299 19.090 1.00 52.42 H new ATOM 0 HD2 TYR A 78 25.650 -0.574 16.870 1.00 50.52 H new ATOM 0 HE1 TYR A 78 21.760 -0.064 19.837 1.00 61.52 H new ATOM 0 HE2 TYR A 78 24.964 1.663 17.617 1.00 70.55 H new ATOM 0 HH TYR A 78 23.540 2.857 18.807 1.00 34.34 H new ATOM 1163 N TRP A 79 25.452 -6.093 17.903 1.00 42.11 N ATOM 1164 CA TRP A 79 25.053 -7.497 17.915 1.00 34.33 C ATOM 1165 C TRP A 79 25.362 -8.138 19.264 1.00 45.25 C ATOM 1166 O TRP A 79 24.612 -8.986 19.746 1.00 50.44 O ATOM 1167 CB TRP A 79 25.765 -8.260 16.798 1.00 11.24 C ATOM 1168 CG TRP A 79 24.864 -8.623 15.658 1.00 33.12 C ATOM 1169 CD1 TRP A 79 24.902 -9.768 14.915 1.00 13.21 C ATOM 1170 CD2 TRP A 79 23.792 -7.835 15.129 1.00 23.44 C ATOM 1171 NE1 TRP A 79 23.917 -9.739 13.956 1.00 13.32 N ATOM 1172 CE2 TRP A 79 23.222 -8.564 14.067 1.00 40.35 C ATOM 1173 CE3 TRP A 79 23.257 -6.584 15.452 1.00 60.30 C ATOM 1174 CZ2 TRP A 79 22.146 -8.083 13.327 1.00 71.44 C ATOM 1175 CZ3 TRP A 79 22.188 -6.108 14.715 1.00 22.15 C ATOM 1176 CH2 TRP A 79 21.642 -6.856 13.664 1.00 55.42 C ATOM 0 H TRP A 79 26.253 -5.887 17.306 1.00 42.11 H new ATOM 0 HA TRP A 79 23.977 -7.546 17.749 1.00 34.33 H new ATOM 0 HB2 TRP A 79 26.589 -7.653 16.422 1.00 11.24 H new ATOM 0 HB3 TRP A 79 26.202 -9.170 17.210 1.00 11.24 H new ATOM 0 HD1 TRP A 79 25.603 -10.577 15.059 1.00 13.21 H new ATOM 0 HE1 TRP A 79 23.734 -10.474 13.273 1.00 13.32 H new ATOM 0 HE3 TRP A 79 23.671 -6.001 16.261 1.00 60.30 H new ATOM 0 HZ2 TRP A 79 21.724 -8.657 12.516 1.00 71.44 H new ATOM 0 HZ3 TRP A 79 21.767 -5.143 14.954 1.00 22.15 H new ATOM 0 HH2 TRP A 79 20.806 -6.456 13.108 1.00 55.42 H new ATOM 1187 N LYS A 80 26.472 -7.726 19.870 1.00 50.41 N ATOM 1188 CA LYS A 80 26.879 -8.259 21.164 1.00 54.32 C ATOM 1189 C LYS A 80 25.944 -7.779 22.269 1.00 54.00 C ATOM 1190 O LYS A 80 25.909 -8.352 23.358 1.00 50.04 O ATOM 1191 CB LYS A 80 28.318 -7.841 21.481 1.00 61.21 C ATOM 1192 CG LYS A 80 28.424 -6.466 22.117 1.00 73.40 C ATOM 1193 CD LYS A 80 28.697 -6.561 23.608 1.00 71.12 C ATOM 1194 CE LYS A 80 30.171 -6.805 23.891 1.00 24.41 C ATOM 1195 NZ LYS A 80 30.610 -6.147 25.153 1.00 51.34 N1+ ATOM 0 H LYS A 80 27.105 -7.025 19.485 1.00 50.41 H new ATOM 0 HA LYS A 80 26.825 -9.347 21.114 1.00 54.32 H new ATOM 0 HB2 LYS A 80 28.763 -8.577 22.151 1.00 61.21 H new ATOM 0 HB3 LYS A 80 28.902 -7.853 20.561 1.00 61.21 H new ATOM 0 HG2 LYS A 80 29.223 -5.902 21.635 1.00 73.40 H new ATOM 0 HG3 LYS A 80 27.499 -5.915 21.950 1.00 73.40 H new ATOM 0 HD2 LYS A 80 28.379 -5.640 24.096 1.00 71.12 H new ATOM 0 HD3 LYS A 80 28.105 -7.369 24.037 1.00 71.12 H new ATOM 0 HE2 LYS A 80 30.355 -7.877 23.957 1.00 24.41 H new ATOM 0 HE3 LYS A 80 30.767 -6.430 23.059 1.00 24.41 H new ATOM 0 HZ1 LYS A 80 31.620 -6.337 25.310 1.00 51.34 H new ATOM 0 HZ2 LYS A 80 30.458 -5.121 25.081 1.00 51.34 H new ATOM 0 HZ3 LYS A 80 30.059 -6.523 25.951 1.00 51.34 H new ATOM 1209 N ALA A 81 25.187 -6.726 21.982 1.00 25.51 N ATOM 1210 CA ALA A 81 24.249 -6.172 22.950 1.00 23.43 C ATOM 1211 C ALA A 81 23.021 -7.065 23.098 1.00 74.11 C ATOM 1212 O ALA A 81 22.534 -7.288 24.207 1.00 11.21 O ATOM 1213 CB ALA A 81 23.835 -4.766 22.540 1.00 4.11 C ATOM 0 H ALA A 81 25.205 -6.239 21.086 1.00 25.51 H new ATOM 0 HA ALA A 81 24.750 -6.124 23.917 1.00 23.43 H new ATOM 0 HB1 ALA A 81 23.134 -4.365 23.272 1.00 4.11 H new ATOM 0 HB2 ALA A 81 24.716 -4.126 22.493 1.00 4.11 H new ATOM 0 HB3 ALA A 81 23.357 -4.798 21.561 1.00 4.11 H new ATOM 1219 N LEU A 82 22.525 -7.572 21.974 1.00 72.45 N ATOM 1220 CA LEU A 82 21.354 -8.441 21.979 1.00 71.44 C ATOM 1221 C LEU A 82 21.763 -9.907 22.066 1.00 25.04 C ATOM 1222 O LEU A 82 20.960 -10.803 21.812 1.00 54.03 O ATOM 1223 CB LEU A 82 20.517 -8.207 20.721 1.00 34.13 C ATOM 1224 CG LEU A 82 19.977 -6.789 20.527 1.00 12.53 C ATOM 1225 CD1 LEU A 82 19.460 -6.231 21.843 1.00 33.35 C ATOM 1226 CD2 LEU A 82 21.054 -5.884 19.948 1.00 33.50 C ATOM 0 H LEU A 82 22.916 -7.396 21.048 1.00 72.45 H new ATOM 0 HA LEU A 82 20.756 -8.198 22.857 1.00 71.44 H new ATOM 0 HB2 LEU A 82 21.123 -8.465 19.853 1.00 34.13 H new ATOM 0 HB3 LEU A 82 19.673 -8.897 20.737 1.00 34.13 H new ATOM 0 HG LEU A 82 19.147 -6.829 19.822 1.00 12.53 H new ATOM 0 HD11 LEU A 82 19.080 -5.222 21.686 1.00 33.35 H new ATOM 0 HD12 LEU A 82 18.658 -6.867 22.218 1.00 33.35 H new ATOM 0 HD13 LEU A 82 20.271 -6.204 22.570 1.00 33.35 H new ATOM 0 HD21 LEU A 82 20.653 -4.879 19.816 1.00 33.50 H new ATOM 0 HD22 LEU A 82 21.904 -5.849 20.629 1.00 33.50 H new ATOM 0 HD23 LEU A 82 21.378 -6.275 18.983 1.00 33.50 H new ATOM 1238 N GLY A 83 23.020 -10.145 22.430 1.00 74.52 N ATOM 1239 CA GLY A 83 23.514 -11.505 22.545 1.00 61.44 C ATOM 1240 C GLY A 83 23.456 -12.257 21.231 1.00 64.05 C ATOM 1241 O GLY A 83 23.138 -13.447 21.202 1.00 12.21 O ATOM 0 H GLY A 83 23.704 -9.421 22.647 1.00 74.52 H new ATOM 0 HA2 GLY A 83 24.543 -11.485 22.903 1.00 61.44 H new ATOM 0 HA3 GLY A 83 22.927 -12.039 23.292 1.00 61.44 H new ATOM 1245 N ILE A 84 23.761 -11.563 20.139 1.00 55.22 N ATOM 1246 CA ILE A 84 23.743 -12.174 18.816 1.00 13.14 C ATOM 1247 C ILE A 84 25.109 -12.746 18.455 1.00 55.44 C ATOM 1248 O ILE A 84 26.135 -12.305 18.972 1.00 14.52 O ATOM 1249 CB ILE A 84 23.321 -11.160 17.735 1.00 32.24 C ATOM 1250 CG1 ILE A 84 22.091 -10.374 18.194 1.00 51.22 C ATOM 1251 CG2 ILE A 84 23.041 -11.874 16.421 1.00 0.21 C ATOM 1252 CD1 ILE A 84 20.868 -11.239 18.409 1.00 63.44 C ATOM 0 H ILE A 84 24.023 -10.577 20.145 1.00 55.22 H new ATOM 0 HA ILE A 84 23.012 -12.982 18.851 1.00 13.14 H new ATOM 0 HB ILE A 84 24.139 -10.457 17.577 1.00 32.24 H new ATOM 0 HG12 ILE A 84 22.327 -9.855 19.123 1.00 51.22 H new ATOM 0 HG13 ILE A 84 21.860 -9.610 17.452 1.00 51.22 H new ATOM 0 HG21 ILE A 84 22.744 -11.145 15.667 1.00 0.21 H new ATOM 0 HG22 ILE A 84 23.941 -12.393 16.090 1.00 0.21 H new ATOM 0 HG23 ILE A 84 22.237 -12.596 16.564 1.00 0.21 H new ATOM 0 HD11 ILE A 84 20.034 -10.616 18.733 1.00 63.44 H new ATOM 0 HD12 ILE A 84 20.607 -11.738 17.476 1.00 63.44 H new ATOM 0 HD13 ILE A 84 21.081 -11.987 19.173 1.00 63.44 H new ATOM 1264 N SER A 85 25.115 -13.731 17.562 1.00 21.13 N ATOM 1265 CA SER A 85 26.354 -14.366 17.131 1.00 50.52 C ATOM 1266 C SER A 85 27.392 -13.320 16.737 1.00 44.03 C ATOM 1267 O SER A 85 27.070 -12.168 16.445 1.00 31.33 O ATOM 1268 CB SER A 85 26.089 -15.306 15.954 1.00 54.22 C ATOM 1269 OG SER A 85 25.726 -16.599 16.405 1.00 53.22 O ATOM 0 H SER A 85 24.274 -14.106 17.123 1.00 21.13 H new ATOM 0 HA SER A 85 26.746 -14.945 17.967 1.00 50.52 H new ATOM 0 HB2 SER A 85 25.293 -14.898 15.331 1.00 54.22 H new ATOM 0 HB3 SER A 85 26.980 -15.372 15.330 1.00 54.22 H new ATOM 0 HG SER A 85 25.560 -17.180 15.633 1.00 53.22 H new ATOM 1275 N PRO A 86 28.670 -13.728 16.730 1.00 0.11 N ATOM 1276 CA PRO A 86 29.782 -12.843 16.374 1.00 54.45 C ATOM 1277 C PRO A 86 29.786 -12.484 14.891 1.00 45.13 C ATOM 1278 O PRO A 86 29.595 -13.346 14.034 1.00 52.05 O ATOM 1279 CB PRO A 86 31.022 -13.670 16.726 1.00 32.51 C ATOM 1280 CG PRO A 86 30.568 -15.087 16.640 1.00 54.43 C ATOM 1281 CD PRO A 86 29.127 -15.087 17.068 1.00 54.42 C ATOM 0 HA PRO A 86 29.726 -11.889 16.898 1.00 54.45 H new ATOM 0 HB2 PRO A 86 31.839 -13.473 16.032 1.00 32.51 H new ATOM 0 HB3 PRO A 86 31.387 -13.431 17.725 1.00 32.51 H new ATOM 0 HG2 PRO A 86 30.673 -15.470 15.625 1.00 54.43 H new ATOM 0 HG3 PRO A 86 31.167 -15.729 17.286 1.00 54.43 H new ATOM 0 HD2 PRO A 86 28.551 -15.847 16.540 1.00 54.42 H new ATOM 0 HD3 PRO A 86 29.024 -15.292 18.134 1.00 54.42 H new ATOM 1289 N MET A 87 30.004 -11.206 14.598 1.00 52.20 N ATOM 1290 CA MET A 87 30.034 -10.735 13.218 1.00 11.03 C ATOM 1291 C MET A 87 30.677 -9.354 13.129 1.00 60.21 C ATOM 1292 O MET A 87 29.987 -8.334 13.155 1.00 33.13 O ATOM 1293 CB MET A 87 28.617 -10.688 12.642 1.00 52.31 C ATOM 1294 CG MET A 87 28.346 -11.772 11.611 1.00 30.23 C ATOM 1295 SD MET A 87 28.900 -11.313 9.957 1.00 71.42 S ATOM 1296 CE MET A 87 30.541 -12.029 9.939 1.00 23.32 C ATOM 0 H MET A 87 30.162 -10.479 15.296 1.00 52.20 H new ATOM 0 HA MET A 87 30.633 -11.434 12.634 1.00 11.03 H new ATOM 0 HB2 MET A 87 27.899 -10.784 13.456 1.00 52.31 H new ATOM 0 HB3 MET A 87 28.451 -9.713 12.184 1.00 52.31 H new ATOM 0 HG2 MET A 87 28.847 -12.691 11.916 1.00 30.23 H new ATOM 0 HG3 MET A 87 27.277 -11.985 11.586 1.00 30.23 H new ATOM 0 HE1 MET A 87 31.285 -11.235 9.994 1.00 23.32 H new ATOM 0 HE2 MET A 87 30.657 -12.695 10.794 1.00 23.32 H new ATOM 0 HE3 MET A 87 30.681 -12.594 9.018 1.00 23.32 H new ATOM 1306 N HIS A 88 32.002 -9.329 13.024 1.00 53.41 N ATOM 1307 CA HIS A 88 32.737 -8.072 12.932 1.00 33.42 C ATOM 1308 C HIS A 88 33.061 -7.738 11.479 1.00 73.05 C ATOM 1309 O HIS A 88 34.226 -7.681 11.090 1.00 73.13 O ATOM 1310 CB HIS A 88 34.028 -8.151 13.749 1.00 42.20 C ATOM 1311 CG HIS A 88 33.812 -8.012 15.224 1.00 1.22 C ATOM 1312 ND1 HIS A 88 32.729 -8.556 15.881 1.00 11.32 N ATOM 1313 CD2 HIS A 88 34.550 -7.386 16.171 1.00 14.24 C ATOM 1314 CE1 HIS A 88 32.809 -8.270 17.169 1.00 62.14 C ATOM 1315 NE2 HIS A 88 33.906 -7.561 17.370 1.00 62.24 N ATOM 0 H HIS A 88 32.588 -10.163 13.001 1.00 53.41 H new ATOM 0 HA HIS A 88 32.107 -7.280 13.337 1.00 33.42 H new ATOM 0 HB2 HIS A 88 34.517 -9.105 13.550 1.00 42.20 H new ATOM 0 HB3 HIS A 88 34.709 -7.368 13.414 1.00 42.20 H new ATOM 0 HD2 HIS A 88 35.473 -6.849 16.012 1.00 14.24 H new ATOM 0 HE1 HIS A 88 32.099 -8.565 17.928 1.00 62.14 H new ATOM 0 HE2 HIS A 88 34.223 -7.202 18.271 1.00 62.24 H new ATOM 1323 N GLU A 89 32.019 -7.520 10.681 1.00 70.23 N ATOM 1324 CA GLU A 89 32.194 -7.194 9.271 1.00 14.34 C ATOM 1325 C GLU A 89 31.194 -6.129 8.831 1.00 75.32 C ATOM 1326 O GLU A 89 30.357 -6.368 7.960 1.00 72.42 O ATOM 1327 CB GLU A 89 32.031 -8.448 8.409 1.00 53.11 C ATOM 1328 CG GLU A 89 33.080 -9.513 8.681 1.00 61.24 C ATOM 1329 CD GLU A 89 34.441 -9.147 8.122 1.00 1.31 C ATOM 1330 OE1 GLU A 89 34.587 -8.019 7.607 1.00 4.11 O ATOM 1331 OE2 GLU A 89 35.361 -9.988 8.199 1.00 3.31 O1- ATOM 0 H GLU A 89 31.047 -7.563 10.987 1.00 70.23 H new ATOM 0 HA GLU A 89 33.202 -6.800 9.139 1.00 14.34 H new ATOM 0 HB2 GLU A 89 31.042 -8.872 8.582 1.00 53.11 H new ATOM 0 HB3 GLU A 89 32.077 -8.165 7.357 1.00 53.11 H new ATOM 0 HG2 GLU A 89 33.163 -9.669 9.756 1.00 61.24 H new ATOM 0 HG3 GLU A 89 32.755 -10.458 8.246 1.00 61.24 H new ATOM 1338 N HIS A 90 31.286 -4.950 9.441 1.00 74.52 N ATOM 1339 CA HIS A 90 30.390 -3.848 9.114 1.00 55.24 C ATOM 1340 C HIS A 90 30.366 -3.596 7.609 1.00 4.33 C ATOM 1341 O HIS A 90 31.342 -3.113 7.036 1.00 31.43 O ATOM 1342 CB HIS A 90 30.819 -2.578 9.850 1.00 13.21 C ATOM 1343 CG HIS A 90 32.291 -2.314 9.778 1.00 63.34 C ATOM 1344 ND1 HIS A 90 33.186 -2.780 10.718 1.00 35.31 N ATOM 1345 CD2 HIS A 90 33.024 -1.628 8.870 1.00 64.40 C ATOM 1346 CE1 HIS A 90 34.406 -2.391 10.392 1.00 72.11 C ATOM 1347 NE2 HIS A 90 34.336 -1.690 9.274 1.00 23.52 N ATOM 0 H HIS A 90 31.972 -4.735 10.164 1.00 74.52 H new ATOM 0 HA HIS A 90 29.385 -4.122 9.435 1.00 55.24 H new ATOM 0 HB2 HIS A 90 30.284 -1.726 9.430 1.00 13.21 H new ATOM 0 HB3 HIS A 90 30.523 -2.656 10.896 1.00 13.21 H new ATOM 0 HD2 HIS A 90 32.648 -1.125 7.991 1.00 64.40 H new ATOM 0 HE1 HIS A 90 35.307 -2.609 10.945 1.00 72.11 H new ATOM 0 HE2 HIS A 90 35.127 -1.264 8.790 1.00 23.52 H new ATOM 1355 N ALA A 91 29.245 -3.925 6.976 1.00 73.52 N ATOM 1356 CA ALA A 91 29.094 -3.733 5.540 1.00 22.23 C ATOM 1357 C ALA A 91 28.623 -2.318 5.221 1.00 61.21 C ATOM 1358 O ALA A 91 27.607 -1.861 5.744 1.00 23.03 O ATOM 1359 CB ALA A 91 28.123 -4.756 4.969 1.00 3.52 C ATOM 0 H ALA A 91 28.428 -4.326 7.436 1.00 73.52 H new ATOM 0 HA ALA A 91 30.070 -3.876 5.076 1.00 22.23 H new ATOM 0 HB1 ALA A 91 28.020 -4.600 3.895 1.00 3.52 H new ATOM 0 HB2 ALA A 91 28.502 -5.761 5.155 1.00 3.52 H new ATOM 0 HB3 ALA A 91 27.150 -4.641 5.447 1.00 3.52 H new ATOM 1365 N GLU A 92 29.367 -1.630 4.361 1.00 73.32 N ATOM 1366 CA GLU A 92 29.025 -0.266 3.975 1.00 2.25 C ATOM 1367 C GLU A 92 28.553 -0.213 2.525 1.00 25.30 C ATOM 1368 O GLU A 92 28.943 -1.042 1.703 1.00 13.50 O ATOM 1369 CB GLU A 92 30.228 0.659 4.166 1.00 43.31 C ATOM 1370 CG GLU A 92 31.531 0.080 3.640 1.00 22.11 C ATOM 1371 CD GLU A 92 32.717 0.993 3.886 1.00 21.31 C ATOM 1372 OE1 GLU A 92 32.636 1.834 4.805 1.00 61.05 O ATOM 1373 OE2 GLU A 92 33.725 0.866 3.159 1.00 32.20 O1- ATOM 0 H GLU A 92 30.210 -1.995 3.918 1.00 73.32 H new ATOM 0 HA GLU A 92 28.211 0.072 4.616 1.00 2.25 H new ATOM 0 HB2 GLU A 92 30.031 1.605 3.662 1.00 43.31 H new ATOM 0 HB3 GLU A 92 30.341 0.880 5.227 1.00 43.31 H new ATOM 0 HG2 GLU A 92 31.714 -0.883 4.116 1.00 22.11 H new ATOM 0 HG3 GLU A 92 31.436 -0.106 2.570 1.00 22.11 H new ATOM 1380 N VAL A 93 27.710 0.768 2.219 1.00 70.21 N ATOM 1381 CA VAL A 93 27.184 0.931 0.869 1.00 61.32 C ATOM 1382 C VAL A 93 27.788 2.154 0.187 1.00 43.24 C ATOM 1383 O VAL A 93 27.487 3.291 0.549 1.00 3.54 O ATOM 1384 CB VAL A 93 25.651 1.066 0.876 1.00 40.32 C ATOM 1385 CG1 VAL A 93 25.113 1.127 -0.545 1.00 24.13 C ATOM 1386 CG2 VAL A 93 25.018 -0.084 1.645 1.00 41.15 C ATOM 0 H VAL A 93 27.377 1.462 2.888 1.00 70.21 H new ATOM 0 HA VAL A 93 27.460 0.035 0.312 1.00 61.32 H new ATOM 0 HB VAL A 93 25.389 1.997 1.378 1.00 40.32 H new ATOM 0 HG11 VAL A 93 24.027 1.222 -0.519 1.00 24.13 H new ATOM 0 HG12 VAL A 93 25.541 1.988 -1.059 1.00 24.13 H new ATOM 0 HG13 VAL A 93 25.385 0.215 -1.076 1.00 24.13 H new ATOM 0 HG21 VAL A 93 23.934 0.028 1.640 1.00 41.15 H new ATOM 0 HG22 VAL A 93 25.288 -1.029 1.174 1.00 41.15 H new ATOM 0 HG23 VAL A 93 25.378 -0.076 2.674 1.00 41.15 H new ATOM 1396 N VAL A 94 28.644 1.912 -0.801 1.00 55.22 N ATOM 1397 CA VAL A 94 29.290 2.993 -1.534 1.00 54.44 C ATOM 1398 C VAL A 94 29.091 2.832 -3.038 1.00 72.33 C ATOM 1399 O VAL A 94 29.495 1.827 -3.624 1.00 31.22 O ATOM 1400 CB VAL A 94 30.799 3.055 -1.230 1.00 12.35 C ATOM 1401 CG1 VAL A 94 31.433 4.258 -1.912 1.00 44.32 C ATOM 1402 CG2 VAL A 94 31.038 3.095 0.271 1.00 32.44 C ATOM 0 H VAL A 94 28.906 0.976 -1.112 1.00 55.22 H new ATOM 0 HA VAL A 94 28.823 3.922 -1.206 1.00 54.44 H new ATOM 0 HB VAL A 94 31.269 2.155 -1.626 1.00 12.35 H new ATOM 0 HG11 VAL A 94 32.499 4.285 -1.686 1.00 44.32 H new ATOM 0 HG12 VAL A 94 31.293 4.181 -2.990 1.00 44.32 H new ATOM 0 HG13 VAL A 94 30.962 5.172 -1.550 1.00 44.32 H new ATOM 0 HG21 VAL A 94 32.109 3.139 0.468 1.00 32.44 H new ATOM 0 HG22 VAL A 94 30.555 3.977 0.693 1.00 32.44 H new ATOM 0 HG23 VAL A 94 30.621 2.199 0.730 1.00 32.44 H new ATOM 1412 N PHE A 95 28.469 3.830 -3.657 1.00 74.21 N ATOM 1413 CA PHE A 95 28.216 3.799 -5.093 1.00 3.42 C ATOM 1414 C PHE A 95 28.498 5.161 -5.724 1.00 14.12 C ATOM 1415 O PHE A 95 28.433 6.193 -5.055 1.00 41.52 O ATOM 1416 CB PHE A 95 26.770 3.386 -5.369 1.00 1.11 C ATOM 1417 CG PHE A 95 26.552 1.901 -5.325 1.00 21.10 C ATOM 1418 CD1 PHE A 95 26.572 1.220 -4.118 1.00 44.02 C ATOM 1419 CD2 PHE A 95 26.325 1.186 -6.490 1.00 70.40 C ATOM 1420 CE1 PHE A 95 26.373 -0.147 -4.076 1.00 24.42 C ATOM 1421 CE2 PHE A 95 26.125 -0.181 -6.454 1.00 25.12 C ATOM 1422 CZ PHE A 95 26.148 -0.849 -5.245 1.00 43.33 C ATOM 0 H PHE A 95 28.131 4.670 -3.187 1.00 74.21 H new ATOM 0 HA PHE A 95 28.887 3.065 -5.539 1.00 3.42 H new ATOM 0 HB2 PHE A 95 26.118 3.863 -4.637 1.00 1.11 H new ATOM 0 HB3 PHE A 95 26.475 3.760 -6.349 1.00 1.11 H new ATOM 0 HD1 PHE A 95 26.745 1.763 -3.201 1.00 44.02 H new ATOM 0 HD2 PHE A 95 26.304 1.703 -7.438 1.00 70.40 H new ATOM 0 HE1 PHE A 95 26.393 -0.667 -3.130 1.00 24.42 H new ATOM 0 HE2 PHE A 95 25.951 -0.726 -7.370 1.00 25.12 H new ATOM 0 HZ PHE A 95 25.991 -1.917 -5.213 1.00 43.33 H new ATOM 1432 N THR A 96 28.811 5.154 -7.015 1.00 44.40 N ATOM 1433 CA THR A 96 29.104 6.386 -7.737 1.00 34.31 C ATOM 1434 C THR A 96 27.968 6.752 -8.685 1.00 25.23 C ATOM 1435 O THR A 96 27.309 5.876 -9.245 1.00 11.30 O ATOM 1436 CB THR A 96 30.412 6.268 -8.542 1.00 71.34 C ATOM 1437 OG1 THR A 96 30.664 7.487 -9.249 1.00 53.43 O ATOM 1438 CG2 THR A 96 30.339 5.111 -9.526 1.00 41.12 C ATOM 0 H THR A 96 28.868 4.309 -7.583 1.00 44.40 H new ATOM 0 HA THR A 96 29.216 7.171 -6.989 1.00 34.31 H new ATOM 0 HB THR A 96 31.227 6.079 -7.843 1.00 71.34 H new ATOM 0 HG1 THR A 96 31.498 7.404 -9.757 1.00 53.43 H new ATOM 0 HG21 THR A 96 31.274 5.047 -10.083 1.00 41.12 H new ATOM 0 HG22 THR A 96 30.177 4.180 -8.982 1.00 41.12 H new ATOM 0 HG23 THR A 96 29.514 5.275 -10.219 1.00 41.12 H new ATOM 1446 N ALA A 97 27.745 8.050 -8.862 1.00 2.00 N ATOM 1447 CA ALA A 97 26.690 8.530 -9.746 1.00 54.14 C ATOM 1448 C ALA A 97 27.128 8.473 -11.204 1.00 75.12 C ATOM 1449 O ALA A 97 28.306 8.641 -11.516 1.00 3.52 O ATOM 1450 CB ALA A 97 26.291 9.949 -9.367 1.00 3.33 C ATOM 0 H ALA A 97 28.281 8.788 -8.405 1.00 2.00 H new ATOM 0 HA ALA A 97 25.825 7.877 -9.629 1.00 54.14 H new ATOM 0 HB1 ALA A 97 25.502 10.296 -10.035 1.00 3.33 H new ATOM 0 HB2 ALA A 97 25.928 9.963 -8.339 1.00 3.33 H new ATOM 0 HB3 ALA A 97 27.156 10.606 -9.455 1.00 3.33 H new ATOM 1456 N ASN A 98 26.171 8.235 -12.096 1.00 61.44 N ATOM 1457 CA ASN A 98 26.459 8.154 -13.523 1.00 5.53 C ATOM 1458 C ASN A 98 27.475 7.054 -13.812 1.00 5.21 C ATOM 1459 O ASN A 98 28.265 7.154 -14.751 1.00 32.32 O ATOM 1460 CB ASN A 98 26.985 9.496 -14.035 1.00 33.23 C ATOM 1461 CG ASN A 98 25.867 10.466 -14.369 1.00 11.24 C ATOM 1462 OD1 ASN A 98 24.797 10.429 -13.762 1.00 54.42 O ATOM 1463 ND2 ASN A 98 26.111 11.340 -15.338 1.00 42.15 N ATOM 0 H ASN A 98 25.190 8.095 -11.855 1.00 61.44 H new ATOM 0 HA ASN A 98 25.531 7.912 -14.042 1.00 5.53 H new ATOM 0 HB2 ASN A 98 27.635 9.940 -13.281 1.00 33.23 H new ATOM 0 HB3 ASN A 98 27.595 9.329 -14.923 1.00 33.23 H new ATOM 0 HD21 ASN A 98 25.397 12.017 -15.606 1.00 42.15 H new ATOM 0 HD22 ASN A 98 27.013 11.335 -15.814 1.00 42.15 H new ATOM 1470 N ASP A 99 27.449 6.004 -12.999 1.00 51.43 N ATOM 1471 CA ASP A 99 28.367 4.883 -13.167 1.00 34.13 C ATOM 1472 C ASP A 99 28.120 3.814 -12.107 1.00 63.24 C ATOM 1473 O ASP A 99 27.475 4.071 -11.090 1.00 54.14 O ATOM 1474 CB ASP A 99 29.815 5.367 -13.093 1.00 61.02 C ATOM 1475 CG ASP A 99 30.639 4.912 -14.282 1.00 31.11 C ATOM 1476 OD1 ASP A 99 30.478 5.495 -15.375 1.00 64.44 O ATOM 1477 OD2 ASP A 99 31.445 3.972 -14.120 1.00 41.04 O1- ATOM 0 H ASP A 99 26.802 5.905 -12.217 1.00 51.43 H new ATOM 0 HA ASP A 99 28.189 4.443 -14.148 1.00 34.13 H new ATOM 0 HB2 ASP A 99 29.829 6.456 -13.040 1.00 61.02 H new ATOM 0 HB3 ASP A 99 30.272 4.997 -12.175 1.00 61.02 H new ATOM 1482 N SER A 100 28.636 2.614 -12.351 1.00 31.43 N ATOM 1483 CA SER A 100 28.468 1.505 -11.421 1.00 54.41 C ATOM 1484 C SER A 100 27.003 1.347 -11.023 1.00 0.22 C ATOM 1485 O SER A 100 26.679 1.212 -9.844 1.00 0.22 O ATOM 1486 CB SER A 100 29.326 1.724 -10.172 1.00 62.41 C ATOM 1487 OG SER A 100 28.741 2.688 -9.315 1.00 71.24 O ATOM 0 H SER A 100 29.175 2.385 -13.186 1.00 31.43 H new ATOM 0 HA SER A 100 28.792 0.592 -11.921 1.00 54.41 H new ATOM 0 HB2 SER A 100 29.443 0.781 -9.638 1.00 62.41 H new ATOM 0 HB3 SER A 100 30.324 2.051 -10.465 1.00 62.41 H new ATOM 0 HG SER A 100 28.132 3.257 -9.830 1.00 71.24 H new ATOM 1493 N GLY A 101 26.122 1.364 -12.019 1.00 34.22 N ATOM 1494 CA GLY A 101 24.701 1.223 -11.754 1.00 51.22 C ATOM 1495 C GLY A 101 24.140 2.388 -10.964 1.00 34.21 C ATOM 1496 O GLY A 101 23.892 2.288 -9.762 1.00 62.14 O ATOM 0 H GLY A 101 26.366 1.473 -13.003 1.00 34.22 H new ATOM 0 HA2 GLY A 101 24.165 1.137 -12.699 1.00 51.22 H new ATOM 0 HA3 GLY A 101 24.527 0.298 -11.204 1.00 51.22 H new ATOM 1500 N PRO A 102 23.931 3.524 -11.645 1.00 21.34 N ATOM 1501 CA PRO A 102 23.394 4.736 -11.019 1.00 0.44 C ATOM 1502 C PRO A 102 21.927 4.585 -10.628 1.00 41.02 C ATOM 1503 O PRO A 102 21.382 3.481 -10.645 1.00 2.14 O ATOM 1504 CB PRO A 102 23.551 5.798 -12.109 1.00 64.03 C ATOM 1505 CG PRO A 102 23.551 5.033 -13.387 1.00 43.03 C ATOM 1506 CD PRO A 102 24.204 3.713 -13.080 1.00 62.14 C ATOM 0 HA PRO A 102 23.912 4.979 -10.091 1.00 0.44 H new ATOM 0 HB2 PRO A 102 22.734 6.519 -12.079 1.00 64.03 H new ATOM 0 HB3 PRO A 102 24.477 6.360 -11.984 1.00 64.03 H new ATOM 0 HG2 PRO A 102 22.535 4.889 -13.756 1.00 43.03 H new ATOM 0 HG3 PRO A 102 24.099 5.568 -14.162 1.00 43.03 H new ATOM 0 HD2 PRO A 102 23.781 2.906 -13.679 1.00 62.14 H new ATOM 0 HD3 PRO A 102 25.274 3.736 -13.286 1.00 62.14 H new ATOM 1514 N ARG A 103 21.295 5.700 -10.280 1.00 23.34 N ATOM 1515 CA ARG A 103 19.891 5.691 -9.886 1.00 62.04 C ATOM 1516 C ARG A 103 19.695 4.911 -8.590 1.00 14.33 C ATOM 1517 O ARG A 103 19.233 3.770 -8.604 1.00 52.44 O ATOM 1518 CB ARG A 103 19.032 5.083 -10.996 1.00 30.24 C ATOM 1519 CG ARG A 103 19.381 5.589 -12.385 1.00 22.53 C ATOM 1520 CD ARG A 103 18.257 5.326 -13.374 1.00 52.13 C ATOM 1521 NE ARG A 103 18.073 3.899 -13.626 1.00 1.11 N ATOM 1522 CZ ARG A 103 17.032 3.397 -14.281 1.00 54.03 C ATOM 1523 NH1 ARG A 103 16.088 4.201 -14.748 1.00 3.14 N1+ ATOM 1524 NH2 ARG A 103 16.936 2.087 -14.471 1.00 64.44 N ATOM 0 H ARG A 103 21.732 6.621 -10.263 1.00 23.34 H new ATOM 0 HA ARG A 103 19.580 6.722 -9.719 1.00 62.04 H new ATOM 0 HB2 ARG A 103 19.142 3.999 -10.976 1.00 30.24 H new ATOM 0 HB3 ARG A 103 17.984 5.301 -10.792 1.00 30.24 H new ATOM 0 HG2 ARG A 103 19.586 6.659 -12.342 1.00 22.53 H new ATOM 0 HG3 ARG A 103 20.293 5.103 -12.732 1.00 22.53 H new ATOM 0 HD2 ARG A 103 17.329 5.749 -12.989 1.00 52.13 H new ATOM 0 HD3 ARG A 103 18.474 5.835 -14.313 1.00 52.13 H new ATOM 0 HE ARG A 103 18.782 3.253 -13.280 1.00 1.11 H new ATOM 0 HH11 ARG A 103 16.159 5.208 -14.605 1.00 3.14 H new ATOM 0 HH12 ARG A 103 15.290 3.813 -15.251 1.00 3.14 H new ATOM 0 HH21 ARG A 103 17.662 1.465 -14.114 1.00 64.44 H new ATOM 0 HH22 ARG A 103 16.137 1.702 -14.974 1.00 64.44 H new ATOM 1538 N ARG A 104 20.051 5.533 -7.470 1.00 24.02 N ATOM 1539 CA ARG A 104 19.916 4.896 -6.166 1.00 24.20 C ATOM 1540 C ARG A 104 19.362 5.878 -5.137 1.00 1.51 C ATOM 1541 O ARG A 104 19.441 7.093 -5.317 1.00 72.24 O ATOM 1542 CB ARG A 104 21.268 4.358 -5.696 1.00 25.22 C ATOM 1543 CG ARG A 104 22.045 3.630 -6.780 1.00 31.23 C ATOM 1544 CD ARG A 104 23.128 4.513 -7.379 1.00 34.05 C ATOM 1545 NE ARG A 104 24.079 4.973 -6.370 1.00 31.23 N ATOM 1546 CZ ARG A 104 24.848 6.045 -6.520 1.00 4.22 C ATOM 1547 NH1 ARG A 104 24.779 6.764 -7.631 1.00 33.51 N1+ ATOM 1548 NH2 ARG A 104 25.688 6.400 -5.556 1.00 33.42 N ATOM 0 H ARG A 104 20.435 6.477 -7.440 1.00 24.02 H new ATOM 0 HA ARG A 104 19.217 4.066 -6.265 1.00 24.20 H new ATOM 0 HB2 ARG A 104 21.870 5.187 -5.324 1.00 25.22 H new ATOM 0 HB3 ARG A 104 21.108 3.680 -4.858 1.00 25.22 H new ATOM 0 HG2 ARG A 104 22.497 2.730 -6.363 1.00 31.23 H new ATOM 0 HG3 ARG A 104 21.361 3.308 -7.565 1.00 31.23 H new ATOM 0 HD2 ARG A 104 23.660 3.960 -8.153 1.00 34.05 H new ATOM 0 HD3 ARG A 104 22.667 5.374 -7.862 1.00 34.05 H new ATOM 0 HE ARG A 104 24.157 4.442 -5.503 1.00 31.23 H new ATOM 0 HH11 ARG A 104 24.134 6.494 -8.374 1.00 33.51 H new ATOM 0 HH12 ARG A 104 25.371 7.587 -7.743 1.00 33.51 H new ATOM 0 HH21 ARG A 104 25.743 5.849 -4.699 1.00 33.42 H new ATOM 0 HH22 ARG A 104 26.279 7.224 -5.672 1.00 33.42 H new ATOM 1562 N TYR A 105 18.799 5.341 -4.059 1.00 3.31 N ATOM 1563 CA TYR A 105 18.230 6.169 -3.003 1.00 51.11 C ATOM 1564 C TYR A 105 18.203 5.417 -1.677 1.00 4.42 C ATOM 1565 O TYR A 105 18.703 5.904 -0.662 1.00 2.22 O ATOM 1566 CB TYR A 105 16.814 6.610 -3.380 1.00 3.13 C ATOM 1567 CG TYR A 105 16.779 7.749 -4.374 1.00 74.50 C ATOM 1568 CD1 TYR A 105 17.474 8.928 -4.135 1.00 22.34 C ATOM 1569 CD2 TYR A 105 16.052 7.646 -5.553 1.00 12.00 C ATOM 1570 CE1 TYR A 105 17.446 9.971 -5.039 1.00 51.10 C ATOM 1571 CE2 TYR A 105 16.018 8.683 -6.465 1.00 50.15 C ATOM 1572 CZ TYR A 105 16.716 9.844 -6.203 1.00 33.34 C ATOM 1573 OH TYR A 105 16.685 10.880 -7.108 1.00 22.10 O ATOM 0 H TYR A 105 18.725 4.337 -3.894 1.00 3.31 H new ATOM 0 HA TYR A 105 18.860 7.051 -2.888 1.00 51.11 H new ATOM 0 HB2 TYR A 105 16.276 5.758 -3.797 1.00 3.13 H new ATOM 0 HB3 TYR A 105 16.284 6.911 -2.477 1.00 3.13 H new ATOM 0 HD1 TYR A 105 18.047 9.030 -3.225 1.00 22.34 H new ATOM 0 HD2 TYR A 105 15.504 6.739 -5.760 1.00 12.00 H new ATOM 0 HE1 TYR A 105 17.992 10.881 -4.836 1.00 51.10 H new ATOM 0 HE2 TYR A 105 15.449 8.586 -7.377 1.00 50.15 H new ATOM 0 HH TYR A 105 16.127 10.629 -7.874 1.00 22.10 H new ATOM 1583 N THR A 106 17.616 4.224 -1.691 1.00 40.24 N ATOM 1584 CA THR A 106 17.524 3.403 -0.491 1.00 32.41 C ATOM 1585 C THR A 106 18.763 2.530 -0.324 1.00 71.02 C ATOM 1586 O THR A 106 19.207 1.881 -1.271 1.00 75.23 O ATOM 1587 CB THR A 106 16.275 2.500 -0.523 1.00 75.32 C ATOM 1588 OG1 THR A 106 15.098 3.300 -0.684 1.00 50.12 O ATOM 1589 CG2 THR A 106 16.167 1.682 0.755 1.00 12.31 C ATOM 0 H THR A 106 17.197 3.805 -2.521 1.00 40.24 H new ATOM 0 HA THR A 106 17.449 4.087 0.354 1.00 32.41 H new ATOM 0 HB THR A 106 16.368 1.816 -1.367 1.00 75.32 H new ATOM 0 HG1 THR A 106 14.303 2.744 -0.546 1.00 50.12 H new ATOM 0 HG21 THR A 106 15.278 1.052 0.710 1.00 12.31 H new ATOM 0 HG22 THR A 106 17.052 1.054 0.861 1.00 12.31 H new ATOM 0 HG23 THR A 106 16.094 2.353 1.611 1.00 12.31 H new ATOM 1597 N ILE A 107 19.315 2.519 0.885 1.00 54.05 N ATOM 1598 CA ILE A 107 20.501 1.725 1.175 1.00 74.20 C ATOM 1599 C ILE A 107 20.124 0.318 1.630 1.00 63.32 C ATOM 1600 O ILE A 107 19.529 0.137 2.691 1.00 31.52 O ATOM 1601 CB ILE A 107 21.371 2.387 2.260 1.00 44.44 C ATOM 1602 CG1 ILE A 107 22.021 3.661 1.717 1.00 42.14 C ATOM 1603 CG2 ILE A 107 22.431 1.415 2.755 1.00 44.24 C ATOM 1604 CD1 ILE A 107 21.325 4.930 2.157 1.00 32.11 C ATOM 0 H ILE A 107 18.959 3.051 1.679 1.00 54.05 H new ATOM 0 HA ILE A 107 21.073 1.664 0.249 1.00 74.20 H new ATOM 0 HB ILE A 107 20.733 2.658 3.101 1.00 44.44 H new ATOM 0 HG12 ILE A 107 23.061 3.695 2.042 1.00 42.14 H new ATOM 0 HG13 ILE A 107 22.029 3.619 0.628 1.00 42.14 H new ATOM 0 HG21 ILE A 107 23.038 1.898 3.521 1.00 44.24 H new ATOM 0 HG22 ILE A 107 21.948 0.533 3.176 1.00 44.24 H new ATOM 0 HG23 ILE A 107 23.068 1.116 1.922 1.00 44.24 H new ATOM 0 HD11 ILE A 107 21.840 5.793 1.735 1.00 32.11 H new ATOM 0 HD12 ILE A 107 20.292 4.918 1.809 1.00 32.11 H new ATOM 0 HD13 ILE A 107 21.341 4.995 3.245 1.00 32.11 H new ATOM 1616 N ALA A 108 20.477 -0.674 0.819 1.00 21.23 N ATOM 1617 CA ALA A 108 20.179 -2.064 1.139 1.00 2.35 C ATOM 1618 C ALA A 108 21.330 -2.710 1.903 1.00 63.45 C ATOM 1619 O ALA A 108 22.410 -2.922 1.354 1.00 51.45 O ATOM 1620 CB ALA A 108 19.880 -2.847 -0.131 1.00 32.14 C ATOM 0 H ALA A 108 20.970 -0.541 -0.064 1.00 21.23 H new ATOM 0 HA ALA A 108 19.297 -2.082 1.779 1.00 2.35 H new ATOM 0 HB1 ALA A 108 19.659 -3.884 0.124 1.00 32.14 H new ATOM 0 HB2 ALA A 108 19.020 -2.407 -0.636 1.00 32.14 H new ATOM 0 HB3 ALA A 108 20.746 -2.813 -0.792 1.00 32.14 H new ATOM 1626 N ALA A 109 21.090 -3.022 3.172 1.00 63.22 N ATOM 1627 CA ALA A 109 22.107 -3.646 4.011 1.00 54.44 C ATOM 1628 C ALA A 109 21.555 -4.879 4.718 1.00 42.04 C ATOM 1629 O ALA A 109 20.624 -4.783 5.517 1.00 35.23 O ATOM 1630 CB ALA A 109 22.640 -2.646 5.027 1.00 2.42 C ATOM 0 H ALA A 109 20.201 -2.853 3.642 1.00 63.22 H new ATOM 0 HA ALA A 109 22.927 -3.965 3.368 1.00 54.44 H new ATOM 0 HB1 ALA A 109 23.398 -3.125 5.646 1.00 2.42 H new ATOM 0 HB2 ALA A 109 23.082 -1.797 4.505 1.00 2.42 H new ATOM 0 HB3 ALA A 109 21.823 -2.298 5.659 1.00 2.42 H new ATOM 1636 N MET A 110 22.134 -6.036 4.417 1.00 0.21 N ATOM 1637 CA MET A 110 21.700 -7.289 5.026 1.00 34.20 C ATOM 1638 C MET A 110 22.768 -7.835 5.968 1.00 44.24 C ATOM 1639 O MET A 110 23.913 -8.044 5.568 1.00 31.10 O ATOM 1640 CB MET A 110 21.380 -8.322 3.944 1.00 34.11 C ATOM 1641 CG MET A 110 20.034 -8.102 3.273 1.00 44.03 C ATOM 1642 SD MET A 110 19.507 -9.522 2.294 1.00 11.42 S ATOM 1643 CE MET A 110 18.696 -10.513 3.546 1.00 12.22 C ATOM 0 H MET A 110 22.904 -6.133 3.756 1.00 0.21 H new ATOM 0 HA MET A 110 20.799 -7.089 5.606 1.00 34.20 H new ATOM 0 HB2 MET A 110 22.163 -8.297 3.186 1.00 34.11 H new ATOM 0 HB3 MET A 110 21.397 -9.318 4.387 1.00 34.11 H new ATOM 0 HG2 MET A 110 19.283 -7.891 4.034 1.00 44.03 H new ATOM 0 HG3 MET A 110 20.092 -7.224 2.630 1.00 44.03 H new ATOM 0 HE1 MET A 110 19.136 -11.510 3.563 1.00 12.22 H new ATOM 0 HE2 MET A 110 18.824 -10.043 4.521 1.00 12.22 H new ATOM 0 HE3 MET A 110 17.633 -10.590 3.317 1.00 12.22 H new ATOM 1653 N LEU A 111 22.386 -8.064 7.220 1.00 51.13 N ATOM 1654 CA LEU A 111 23.311 -8.585 8.219 1.00 21.14 C ATOM 1655 C LEU A 111 23.424 -10.104 8.116 1.00 54.03 C ATOM 1656 O LEU A 111 22.610 -10.836 8.677 1.00 63.05 O ATOM 1657 CB LEU A 111 22.852 -8.191 9.624 1.00 12.44 C ATOM 1658 CG LEU A 111 22.651 -6.695 9.869 1.00 10.52 C ATOM 1659 CD1 LEU A 111 23.736 -5.890 9.171 1.00 71.33 C ATOM 1660 CD2 LEU A 111 21.273 -6.257 9.396 1.00 62.42 C ATOM 0 H LEU A 111 21.441 -7.897 7.567 1.00 51.13 H new ATOM 0 HA LEU A 111 24.293 -8.151 8.030 1.00 21.14 H new ATOM 0 HB2 LEU A 111 21.913 -8.703 9.835 1.00 12.44 H new ATOM 0 HB3 LEU A 111 23.585 -8.561 10.341 1.00 12.44 H new ATOM 0 HG LEU A 111 22.721 -6.509 10.941 1.00 10.52 H new ATOM 0 HD11 LEU A 111 23.577 -4.828 9.356 1.00 71.33 H new ATOM 0 HD12 LEU A 111 24.712 -6.184 9.557 1.00 71.33 H new ATOM 0 HD13 LEU A 111 23.698 -6.081 8.099 1.00 71.33 H new ATOM 0 HD21 LEU A 111 21.148 -5.190 9.578 1.00 62.42 H new ATOM 0 HD22 LEU A 111 21.174 -6.457 8.329 1.00 62.42 H new ATOM 0 HD23 LEU A 111 20.508 -6.810 9.941 1.00 62.42 H new ATOM 1672 N SER A 112 24.441 -10.569 7.397 1.00 54.12 N ATOM 1673 CA SER A 112 24.659 -12.000 7.220 1.00 12.24 C ATOM 1674 C SER A 112 25.326 -12.604 8.452 1.00 22.43 C ATOM 1675 O SER A 112 25.934 -11.908 9.266 1.00 1.40 O ATOM 1676 CB SER A 112 25.521 -12.255 5.982 1.00 43.45 C ATOM 1677 OG SER A 112 26.859 -12.554 6.345 1.00 13.22 O ATOM 0 H SER A 112 25.126 -9.976 6.928 1.00 54.12 H new ATOM 0 HA SER A 112 23.689 -12.477 7.083 1.00 12.24 H new ATOM 0 HB2 SER A 112 25.103 -13.082 5.408 1.00 43.45 H new ATOM 0 HB3 SER A 112 25.504 -11.377 5.336 1.00 43.45 H new ATOM 0 HG SER A 112 27.389 -12.714 5.537 1.00 13.22 H new ATOM 1683 N PRO A 113 25.211 -13.933 8.594 1.00 22.02 N ATOM 1684 CA PRO A 113 25.796 -14.662 9.723 1.00 43.14 C ATOM 1685 C PRO A 113 27.319 -14.702 9.661 1.00 2.12 C ATOM 1686 O PRO A 113 27.934 -14.033 8.830 1.00 12.34 O ATOM 1687 CB PRO A 113 25.217 -16.071 9.574 1.00 50.43 C ATOM 1688 CG PRO A 113 24.904 -16.200 8.124 1.00 10.11 C ATOM 1689 CD PRO A 113 24.501 -14.826 7.664 1.00 23.20 C ATOM 0 HA PRO A 113 25.563 -14.190 10.677 1.00 43.14 H new ATOM 0 HB2 PRO A 113 25.932 -16.829 9.894 1.00 50.43 H new ATOM 0 HB3 PRO A 113 24.323 -16.198 10.185 1.00 50.43 H new ATOM 0 HG2 PRO A 113 25.770 -16.559 7.568 1.00 10.11 H new ATOM 0 HG3 PRO A 113 24.100 -16.918 7.961 1.00 10.11 H new ATOM 0 HD2 PRO A 113 24.796 -14.646 6.630 1.00 23.20 H new ATOM 0 HD3 PRO A 113 23.421 -14.685 7.717 1.00 23.20 H new ATOM 1697 N TYR A 114 27.923 -15.491 10.543 1.00 23.50 N ATOM 1698 CA TYR A 114 29.374 -15.617 10.589 1.00 1.14 C ATOM 1699 C TYR A 114 29.864 -16.650 9.579 1.00 43.00 C ATOM 1700 O TYR A 114 30.517 -17.628 9.941 1.00 5.21 O ATOM 1701 CB TYR A 114 29.829 -16.008 11.996 1.00 52.22 C ATOM 1702 CG TYR A 114 31.318 -15.860 12.215 1.00 0.42 C ATOM 1703 CD1 TYR A 114 31.893 -14.606 12.390 1.00 43.22 C ATOM 1704 CD2 TYR A 114 32.150 -16.972 12.245 1.00 13.42 C ATOM 1705 CE1 TYR A 114 33.252 -14.465 12.589 1.00 31.41 C ATOM 1706 CE2 TYR A 114 33.510 -16.841 12.445 1.00 52.31 C ATOM 1707 CZ TYR A 114 34.057 -15.585 12.616 1.00 63.53 C ATOM 1708 OH TYR A 114 35.412 -15.450 12.814 1.00 74.32 O ATOM 0 H TYR A 114 27.429 -16.053 11.236 1.00 23.50 H new ATOM 0 HA TYR A 114 29.805 -14.650 10.330 1.00 1.14 H new ATOM 0 HB2 TYR A 114 29.300 -15.392 12.724 1.00 52.22 H new ATOM 0 HB3 TYR A 114 29.543 -17.043 12.187 1.00 52.22 H new ATOM 0 HD1 TYR A 114 31.266 -13.727 12.370 1.00 43.22 H new ATOM 0 HD2 TYR A 114 31.726 -17.956 12.110 1.00 13.42 H new ATOM 0 HE1 TYR A 114 33.682 -13.484 12.723 1.00 31.41 H new ATOM 0 HE2 TYR A 114 34.142 -17.716 12.468 1.00 52.31 H new ATOM 0 HH TYR A 114 35.833 -16.335 12.807 1.00 74.32 H new ATOM 1718 N SER A 115 29.543 -16.424 8.308 1.00 75.00 N ATOM 1719 CA SER A 115 29.946 -17.336 7.245 1.00 11.22 C ATOM 1720 C SER A 115 31.290 -16.921 6.654 1.00 71.44 C ATOM 1721 O SER A 115 31.912 -15.961 7.109 1.00 23.43 O ATOM 1722 CB SER A 115 28.883 -17.374 6.145 1.00 64.23 C ATOM 1723 OG SER A 115 28.860 -16.159 5.417 1.00 63.14 O ATOM 0 H SER A 115 29.005 -15.617 7.991 1.00 75.00 H new ATOM 0 HA SER A 115 30.049 -18.332 7.675 1.00 11.22 H new ATOM 0 HB2 SER A 115 29.085 -18.204 5.468 1.00 64.23 H new ATOM 0 HB3 SER A 115 27.903 -17.555 6.587 1.00 64.23 H new ATOM 0 HG SER A 115 28.174 -16.209 4.719 1.00 63.14 H new ATOM 1729 N TYR A 116 31.733 -17.652 5.637 1.00 41.15 N ATOM 1730 CA TYR A 116 33.004 -17.362 4.984 1.00 60.33 C ATOM 1731 C TYR A 116 32.809 -17.132 3.489 1.00 73.11 C ATOM 1732 O TYR A 116 32.116 -17.895 2.817 1.00 43.34 O ATOM 1733 CB TYR A 116 33.991 -18.510 5.210 1.00 52.20 C ATOM 1734 CG TYR A 116 33.646 -19.765 4.440 1.00 62.23 C ATOM 1735 CD1 TYR A 116 32.664 -20.636 4.895 1.00 64.02 C ATOM 1736 CD2 TYR A 116 34.304 -20.079 3.256 1.00 50.21 C ATOM 1737 CE1 TYR A 116 32.347 -21.783 4.195 1.00 12.14 C ATOM 1738 CE2 TYR A 116 33.992 -21.223 2.549 1.00 70.32 C ATOM 1739 CZ TYR A 116 33.013 -22.073 3.022 1.00 0.53 C ATOM 1740 OH TYR A 116 32.700 -23.214 2.321 1.00 30.40 O ATOM 0 H TYR A 116 31.231 -18.450 5.247 1.00 41.15 H new ATOM 0 HA TYR A 116 33.409 -16.451 5.423 1.00 60.33 H new ATOM 0 HB2 TYR A 116 34.990 -18.181 4.924 1.00 52.20 H new ATOM 0 HB3 TYR A 116 34.025 -18.744 6.274 1.00 52.20 H new ATOM 0 HD1 TYR A 116 32.140 -20.412 5.812 1.00 64.02 H new ATOM 0 HD2 TYR A 116 35.072 -19.417 2.883 1.00 50.21 H new ATOM 0 HE1 TYR A 116 31.582 -22.450 4.564 1.00 12.14 H new ATOM 0 HE2 TYR A 116 34.512 -21.452 1.630 1.00 70.32 H new ATOM 0 HH TYR A 116 33.260 -23.269 1.518 1.00 30.40 H new ATOM 1750 N SER A 117 33.427 -16.073 2.974 1.00 25.22 N ATOM 1751 CA SER A 117 33.319 -15.738 1.559 1.00 25.44 C ATOM 1752 C SER A 117 34.583 -15.037 1.069 1.00 44.43 C ATOM 1753 O SER A 117 35.513 -14.798 1.840 1.00 74.44 O ATOM 1754 CB SER A 117 32.100 -14.847 1.315 1.00 52.34 C ATOM 1755 OG SER A 117 30.898 -15.531 1.624 1.00 35.54 O ATOM 0 H SER A 117 34.007 -15.433 3.516 1.00 25.22 H new ATOM 0 HA SER A 117 33.199 -16.666 0.999 1.00 25.44 H new ATOM 0 HB2 SER A 117 32.176 -13.946 1.924 1.00 52.34 H new ATOM 0 HB3 SER A 117 32.082 -14.527 0.273 1.00 52.34 H new ATOM 0 HG SER A 117 30.134 -14.939 1.461 1.00 35.54 H new ATOM 1761 N THR A 118 34.608 -14.709 -0.218 1.00 33.43 N ATOM 1762 CA THR A 118 35.756 -14.037 -0.813 1.00 53.23 C ATOM 1763 C THR A 118 35.562 -12.525 -0.827 1.00 74.11 C ATOM 1764 O THR A 118 35.940 -11.848 -1.784 1.00 53.14 O ATOM 1765 CB THR A 118 36.008 -14.523 -2.253 1.00 13.15 C ATOM 1766 OG1 THR A 118 35.596 -15.887 -2.388 1.00 55.10 O ATOM 1767 CG2 THR A 118 37.480 -14.394 -2.618 1.00 63.23 C ATOM 0 H THR A 118 33.846 -14.898 -0.869 1.00 33.43 H new ATOM 0 HA THR A 118 36.620 -14.285 -0.197 1.00 53.23 H new ATOM 0 HB THR A 118 35.426 -13.899 -2.931 1.00 13.15 H new ATOM 0 HG1 THR A 118 35.758 -16.188 -3.306 1.00 55.10 H new ATOM 0 HG21 THR A 118 37.634 -14.743 -3.639 1.00 63.23 H new ATOM 0 HG22 THR A 118 37.784 -13.350 -2.542 1.00 63.23 H new ATOM 0 HG23 THR A 118 38.078 -14.997 -1.935 1.00 63.23 H new ATOM 1775 N THR A 119 34.970 -11.999 0.242 1.00 11.45 N ATOM 1776 CA THR A 119 34.726 -10.567 0.353 1.00 25.02 C ATOM 1777 C THR A 119 35.447 -9.978 1.561 1.00 41.31 C ATOM 1778 O THR A 119 34.970 -10.079 2.690 1.00 44.13 O ATOM 1779 CB THR A 119 33.221 -10.261 0.469 1.00 11.34 C ATOM 1780 OG1 THR A 119 32.491 -11.026 -0.497 1.00 72.04 O ATOM 1781 CG2 THR A 119 32.951 -8.780 0.260 1.00 25.02 C ATOM 0 H THR A 119 34.651 -12.544 1.043 1.00 11.45 H new ATOM 0 HA THR A 119 35.114 -10.109 -0.557 1.00 25.02 H new ATOM 0 HB THR A 119 32.893 -10.534 1.472 1.00 11.34 H new ATOM 0 HG1 THR A 119 31.535 -10.828 -0.416 1.00 72.04 H new ATOM 0 HG21 THR A 119 31.881 -8.589 0.347 1.00 25.02 H new ATOM 0 HG22 THR A 119 33.485 -8.203 1.015 1.00 25.02 H new ATOM 0 HG23 THR A 119 33.293 -8.484 -0.732 1.00 25.02 H new ATOM 1789 N ALA A 120 36.598 -9.362 1.314 1.00 13.22 N ATOM 1790 CA ALA A 120 37.383 -8.754 2.381 1.00 52.22 C ATOM 1791 C ALA A 120 38.340 -7.703 1.828 1.00 55.15 C ATOM 1792 O ALA A 120 39.082 -7.961 0.881 1.00 65.21 O ATOM 1793 CB ALA A 120 38.153 -9.822 3.144 1.00 42.50 C ATOM 0 H ALA A 120 37.008 -9.271 0.384 1.00 13.22 H new ATOM 0 HA ALA A 120 36.696 -8.257 3.066 1.00 52.22 H new ATOM 0 HB1 ALA A 120 38.735 -9.354 3.938 1.00 42.50 H new ATOM 0 HB2 ALA A 120 37.452 -10.534 3.580 1.00 42.50 H new ATOM 0 HB3 ALA A 120 38.824 -10.344 2.462 1.00 42.50 H new ATOM 1799 N VAL A 121 38.316 -6.516 2.425 1.00 4.12 N ATOM 1800 CA VAL A 121 39.182 -5.425 1.993 1.00 43.11 C ATOM 1801 C VAL A 121 39.682 -4.615 3.183 1.00 30.44 C ATOM 1802 O VAL A 121 38.950 -4.392 4.149 1.00 24.04 O ATOM 1803 CB VAL A 121 38.454 -4.484 1.015 1.00 72.25 C ATOM 1804 CG1 VAL A 121 37.274 -3.812 1.699 1.00 1.23 C ATOM 1805 CG2 VAL A 121 39.418 -3.448 0.455 1.00 33.31 C ATOM 0 H VAL A 121 37.706 -6.285 3.209 1.00 4.12 H new ATOM 0 HA VAL A 121 40.032 -5.879 1.484 1.00 43.11 H new ATOM 0 HB VAL A 121 38.072 -5.077 0.184 1.00 72.25 H new ATOM 0 HG11 VAL A 121 36.772 -3.151 0.992 1.00 1.23 H new ATOM 0 HG12 VAL A 121 36.574 -4.572 2.046 1.00 1.23 H new ATOM 0 HG13 VAL A 121 37.629 -3.231 2.550 1.00 1.23 H new ATOM 0 HG21 VAL A 121 38.887 -2.792 -0.234 1.00 33.31 H new ATOM 0 HG22 VAL A 121 39.832 -2.857 1.272 1.00 33.31 H new ATOM 0 HG23 VAL A 121 40.226 -3.952 -0.075 1.00 33.31 H new ATOM 1815 N VAL A 122 40.934 -4.174 3.109 1.00 21.23 N ATOM 1816 CA VAL A 122 41.532 -3.385 4.180 1.00 51.40 C ATOM 1817 C VAL A 122 42.453 -2.307 3.621 1.00 21.04 C ATOM 1818 O VAL A 122 43.323 -2.585 2.795 1.00 52.34 O ATOM 1819 CB VAL A 122 42.330 -4.274 5.152 1.00 74.35 C ATOM 1820 CG1 VAL A 122 43.462 -4.980 4.422 1.00 52.43 C ATOM 1821 CG2 VAL A 122 42.867 -3.447 6.311 1.00 10.13 C ATOM 0 H VAL A 122 41.554 -4.350 2.318 1.00 21.23 H new ATOM 0 HA VAL A 122 40.712 -2.912 4.721 1.00 51.40 H new ATOM 0 HB VAL A 122 41.660 -5.033 5.556 1.00 74.35 H new ATOM 0 HG11 VAL A 122 44.015 -5.604 5.125 1.00 52.43 H new ATOM 0 HG12 VAL A 122 43.050 -5.604 3.629 1.00 52.43 H new ATOM 0 HG13 VAL A 122 44.133 -4.239 3.988 1.00 52.43 H new ATOM 0 HG21 VAL A 122 43.428 -4.091 6.988 1.00 10.13 H new ATOM 0 HG22 VAL A 122 43.522 -2.665 5.927 1.00 10.13 H new ATOM 0 HG23 VAL A 122 42.036 -2.992 6.849 1.00 10.13 H new ATOM 1831 N THR A 123 42.256 -1.074 4.076 1.00 54.15 N ATOM 1832 CA THR A 123 43.069 0.048 3.622 1.00 30.41 C ATOM 1833 C THR A 123 43.273 1.067 4.736 1.00 22.22 C ATOM 1834 O THR A 123 42.490 1.130 5.682 1.00 52.11 O ATOM 1835 CB THR A 123 42.429 0.750 2.409 1.00 20.34 C ATOM 1836 OG1 THR A 123 43.306 1.766 1.911 1.00 33.22 O ATOM 1837 CG2 THR A 123 41.091 1.369 2.787 1.00 21.05 C ATOM 0 H THR A 123 41.540 -0.827 4.759 1.00 54.15 H new ATOM 0 HA THR A 123 44.036 -0.361 3.328 1.00 30.41 H new ATOM 0 HB THR A 123 42.261 0.004 1.632 1.00 20.34 H new ATOM 0 HG1 THR A 123 42.892 2.206 1.139 1.00 33.22 H new ATOM 0 HG21 THR A 123 40.658 1.859 1.915 1.00 21.05 H new ATOM 0 HG22 THR A 123 40.415 0.589 3.138 1.00 21.05 H new ATOM 0 HG23 THR A 123 41.240 2.103 3.579 1.00 21.05 H new ATOM 1845 N ASN A 124 44.328 1.865 4.616 1.00 75.41 N ATOM 1846 CA ASN A 124 44.634 2.884 5.615 1.00 53.22 C ATOM 1847 C ASN A 124 45.737 3.816 5.122 1.00 22.31 C ATOM 1848 O ASN A 124 46.868 3.789 5.605 1.00 32.20 O ATOM 1849 CB ASN A 124 45.057 2.226 6.931 1.00 13.12 C ATOM 1850 CG ASN A 124 44.833 3.131 8.127 1.00 63.22 C ATOM 1851 OD1 ASN A 124 45.336 4.254 8.174 1.00 54.42 O ATOM 1852 ND2 ASN A 124 44.074 2.645 9.102 1.00 64.04 N ATOM 0 H ASN A 124 44.986 1.827 3.837 1.00 75.41 H new ATOM 0 HA ASN A 124 43.733 3.474 5.784 1.00 53.22 H new ATOM 0 HB2 ASN A 124 44.497 1.301 7.068 1.00 13.12 H new ATOM 0 HB3 ASN A 124 46.111 1.955 6.876 1.00 13.12 H new ATOM 0 HD21 ASN A 124 43.888 3.208 9.932 1.00 64.04 H new ATOM 0 HD22 ASN A 124 43.677 1.709 9.021 1.00 64.04 H new ATOM 1859 N PRO A 125 45.400 4.661 4.136 1.00 24.52 N ATOM 1860 CA PRO A 125 46.347 5.618 3.556 1.00 24.42 C ATOM 1861 C PRO A 125 46.707 6.738 4.527 1.00 35.53 C ATOM 1862 O PRO A 125 46.127 6.847 5.608 1.00 10.22 O ATOM 1863 CB PRO A 125 45.591 6.178 2.349 1.00 72.35 C ATOM 1864 CG PRO A 125 44.151 6.004 2.690 1.00 62.25 C ATOM 1865 CD PRO A 125 44.070 4.747 3.512 1.00 3.25 C ATOM 0 HA PRO A 125 47.297 5.148 3.300 1.00 24.42 H new ATOM 0 HB2 PRO A 125 45.834 7.227 2.182 1.00 72.35 H new ATOM 0 HB3 PRO A 125 45.849 5.641 1.436 1.00 72.35 H new ATOM 0 HG2 PRO A 125 43.776 6.861 3.249 1.00 62.25 H new ATOM 0 HG3 PRO A 125 43.544 5.921 1.789 1.00 62.25 H new ATOM 0 HD2 PRO A 125 43.279 4.806 4.259 1.00 3.25 H new ATOM 0 HD3 PRO A 125 43.860 3.875 2.893 1.00 3.25 H new ATOM 1873 N LYS A 126 47.665 7.570 4.134 1.00 63.33 N ATOM 1874 CA LYS A 126 48.101 8.684 4.968 1.00 0.11 C ATOM 1875 C LYS A 126 46.917 9.553 5.376 1.00 52.52 C ATOM 1876 O LYS A 126 46.943 10.199 6.424 1.00 75.10 O ATOM 1877 CB LYS A 126 49.137 9.530 4.223 1.00 43.13 C ATOM 1878 CG LYS A 126 48.534 10.428 3.156 1.00 31.53 C ATOM 1879 CD LYS A 126 48.027 9.622 1.971 1.00 32.21 C ATOM 1880 CE LYS A 126 48.152 10.404 0.673 1.00 52.15 C ATOM 1881 NZ LYS A 126 49.573 10.561 0.254 1.00 22.22 N1+ ATOM 0 H LYS A 126 48.155 7.494 3.243 1.00 63.33 H new ATOM 0 HA LYS A 126 48.556 8.275 5.870 1.00 0.11 H new ATOM 0 HB2 LYS A 126 49.676 10.146 4.943 1.00 43.13 H new ATOM 0 HB3 LYS A 126 49.868 8.868 3.759 1.00 43.13 H new ATOM 0 HG2 LYS A 126 47.713 11.003 3.584 1.00 31.53 H new ATOM 0 HG3 LYS A 126 49.282 11.145 2.817 1.00 31.53 H new ATOM 0 HD2 LYS A 126 48.591 8.693 1.893 1.00 32.21 H new ATOM 0 HD3 LYS A 126 46.984 9.349 2.134 1.00 32.21 H new ATOM 0 HE2 LYS A 126 47.596 9.894 -0.113 1.00 52.15 H new ATOM 0 HE3 LYS A 126 47.699 11.388 0.797 1.00 52.15 H new ATOM 0 HZ1 LYS A 126 49.614 10.767 -0.765 1.00 22.22 H new ATOM 0 HZ2 LYS A 126 50.006 11.345 0.783 1.00 22.22 H new ATOM 0 HZ3 LYS A 126 50.092 9.682 0.451 1.00 22.22 H new ATOM 1895 N GLU A 127 45.880 9.564 4.544 1.00 3.11 N ATOM 1896 CA GLU A 127 44.688 10.355 4.820 1.00 3.11 C ATOM 1897 C GLU A 127 43.424 9.529 4.598 1.00 14.11 C ATOM 1898 O GLU A 127 43.170 9.050 3.493 1.00 23.13 O ATOM 1899 CB GLU A 127 44.658 11.602 3.935 1.00 11.02 C ATOM 1900 CG GLU A 127 44.704 11.293 2.447 1.00 14.01 C ATOM 1901 CD GLU A 127 45.349 12.403 1.641 1.00 3.05 C ATOM 1902 OE1 GLU A 127 46.328 13.003 2.133 1.00 15.22 O ATOM 1903 OE2 GLU A 127 44.875 12.672 0.517 1.00 25.34 O1- ATOM 0 H GLU A 127 45.842 9.034 3.673 1.00 3.11 H new ATOM 0 HA GLU A 127 44.722 10.663 5.865 1.00 3.11 H new ATOM 0 HB2 GLU A 127 43.753 12.170 4.152 1.00 11.02 H new ATOM 0 HB3 GLU A 127 45.504 12.240 4.192 1.00 11.02 H new ATOM 0 HG2 GLU A 127 45.256 10.366 2.289 1.00 14.01 H new ATOM 0 HG3 GLU A 127 43.690 11.126 2.083 1.00 14.01 H new TER 1910 GLU A 127