USER MOD reduce.3.24.130724 H: found=0, std=0, add=1216, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1242 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 81 ASN :FLIP amide:sc= -6.54! C(o=-20!,f=-14!) USER MOD Set 1.2: A 98 HIS :FLIP no HD1:sc= -7.41! C(o=-14!,f=-14!) USER MOD Set 2.1: A 39 SER OG : rot 77:sc= -0.601 USER MOD Set 2.2: A 110 SER OG : rot 160:sc= -0.934 USER MOD Set 3.1: A 6 LYS NZ :NH3+ -139:sc= -1.9 (180deg=-5.14!) USER MOD Set 3.2: A 106 TYR OH : rot 33:sc= -4.82! USER MOD Single : A 0 HIS : no HD1:sc= -0.0535 X(o=-0.054,f=0) USER MOD Single : A 0 HIS N :NH3+ -168:sc= -0.16 (180deg=-0.431) USER MOD Single : A 1 MET CE :methyl -174:sc= -2.51! (180deg=-2.62!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= -2.19! USER MOD Single : A 4 THR OG1 : rot -140:sc= -0.221 USER MOD Single : A 7 SER OG : rot -41:sc= 0.307 USER MOD Single : A 9 TYR OH : rot 24:sc= -3.53! USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot -79:sc= -0.344 USER MOD Single : A 27 ASN : amide:sc= -0.0109 X(o=-0.011,f=0) USER MOD Single : A 33 CYS SG : rot 137:sc= -2.27! USER MOD Single : A 35 LYS NZ :NH3+ 163:sc= -1.49 (180deg=-2.02!) USER MOD Single : A 38 LYS NZ :NH3+ 153:sc= -0.744 (180deg=-1.52!) USER MOD Single : A 46 LYS NZ :NH3+ -170:sc= -4.74! (180deg=-4.94!) USER MOD Single : A 48 LYS NZ :NH3+ -173:sc= -0.32 (180deg=-0.392) USER MOD Single : A 49 TYR OH : rot -25:sc= -3.26 USER MOD Single : A 56 THR OG1 : rot 130:sc= 0.0622 USER MOD Single : A 59 GLN :FLIP amide:sc= -0.0522 F(o=-0.7,f=-0.052) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.0383 USER MOD Single : A 91 MET CE :methyl 156:sc= -0.674 (180deg=-2.21!) USER MOD Single : A 92 SER OG : rot -150:sc= -0.734 USER MOD Single : A 95 TYR OH : rot 115:sc= 0.756 USER MOD Single : A 96 GLN : amide:sc= -2.63! C(o=-2.6!,f=-2.9!) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= -1.67! USER MOD Single : A 109 TYR OH : rot 55:sc= -2.88 USER MOD Single : A 113 ASN : amide:sc= -1.71 K(o=-1.7,f=-4.5!) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : B 599 HIS : no HD1:sc= -0.0979 X(o=-0.098,f=-0.098) USER MOD Single : B 600 MET CE :methyl 171:sc= 0 (180deg=-0.153) USER MOD Single : B 602 SER OG : rot 180:sc= -0.456 USER MOD Single : B 605 SER OG : rot 25:sc= 0.393 USER MOD Single : B 608 LYS NZ :NH3+ -141:sc= -1.67! (180deg=-2.32!) USER MOD Single : B 609 GLN : amide:sc= -2.88 X(o=-2.9,f=-3.3!) USER MOD Single : B 616 ASN :FLIP amide:sc= -1.13 F(o=-1.9!,f=-1.1) USER MOD Single : B 626 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 0 -19.839 -10.643 5.878 1.00 1.12 N ATOM 2 CA HIS A 0 -20.088 -10.429 4.463 1.00 61.45 C ATOM 3 C HIS A 0 -19.058 -9.443 3.905 1.00 35.31 C ATOM 4 O HIS A 0 -18.894 -9.333 2.691 1.00 72.51 O ATOM 5 CB HIS A 0 -21.530 -9.976 4.226 1.00 53.13 C ATOM 6 CG HIS A 0 -22.548 -11.085 4.343 1.00 32.11 C ATOM 7 ND1 HIS A 0 -23.908 -10.873 4.193 1.00 32.05 N ATOM 8 CD2 HIS A 0 -22.391 -12.416 4.595 1.00 50.51 C ATOM 9 CE1 HIS A 0 -24.531 -12.031 4.351 1.00 52.22 C ATOM 10 NE2 HIS A 0 -23.590 -12.986 4.600 1.00 53.24 N ATOM 0 H1 HIS A 0 -20.398 -11.455 6.210 1.00 1.12 H new ATOM 0 H2 HIS A 0 -18.828 -10.835 6.027 1.00 1.12 H new ATOM 0 H3 HIS A 0 -20.112 -9.793 6.411 1.00 1.12 H new ATOM 0 HA HIS A 0 -19.971 -11.369 3.924 1.00 61.45 H new ATOM 0 HB2 HIS A 0 -21.777 -9.193 4.943 1.00 53.13 H new ATOM 0 HB3 HIS A 0 -21.603 -9.533 3.233 1.00 53.13 H new ATOM 0 HD2 HIS A 0 -21.451 -12.921 4.762 1.00 50.51 H new ATOM 0 HE1 HIS A 0 -25.598 -12.191 4.293 1.00 52.22 H new ATOM 0 HE2 HIS A 0 -23.777 -13.975 4.763 1.00 53.24 H new ATOM 19 N MET A 1 -18.391 -8.754 4.819 1.00 60.44 N ATOM 20 CA MET A 1 -17.383 -7.782 4.434 1.00 22.32 C ATOM 21 C MET A 1 -16.476 -8.339 3.334 1.00 4.00 C ATOM 22 O MET A 1 -16.449 -9.546 3.098 1.00 44.45 O ATOM 23 CB MET A 1 -16.538 -7.412 5.654 1.00 71.22 C ATOM 24 CG MET A 1 -15.817 -8.640 6.215 1.00 15.14 C ATOM 25 SD MET A 1 -15.028 -8.231 7.762 1.00 51.34 S ATOM 26 CE MET A 1 -14.417 -6.598 7.378 1.00 14.51 C ATOM 0 H MET A 1 -18.529 -8.850 5.825 1.00 60.44 H new ATOM 0 HA MET A 1 -17.888 -6.896 4.049 1.00 22.32 H new ATOM 0 HB2 MET A 1 -15.807 -6.652 5.378 1.00 71.22 H new ATOM 0 HB3 MET A 1 -17.175 -6.977 6.424 1.00 71.22 H new ATOM 0 HG2 MET A 1 -16.528 -9.453 6.364 1.00 15.14 H new ATOM 0 HG3 MET A 1 -15.074 -8.993 5.500 1.00 15.14 H new ATOM 0 HE1 MET A 1 -13.804 -6.236 8.203 1.00 14.51 H new ATOM 0 HE2 MET A 1 -13.816 -6.639 6.470 1.00 14.51 H new ATOM 0 HE3 MET A 1 -15.258 -5.921 7.227 1.00 14.51 H new ATOM 36 N LYS A 2 -15.754 -7.433 2.692 1.00 62.51 N ATOM 37 CA LYS A 2 -14.847 -7.818 1.624 1.00 10.34 C ATOM 38 C LYS A 2 -13.427 -7.375 1.980 1.00 43.14 C ATOM 39 O LYS A 2 -12.475 -8.137 1.817 1.00 64.10 O ATOM 40 CB LYS A 2 -15.343 -7.278 0.280 1.00 5.43 C ATOM 41 CG LYS A 2 -16.754 -7.782 -0.028 1.00 43.31 C ATOM 42 CD LYS A 2 -16.982 -7.882 -1.537 1.00 21.51 C ATOM 43 CE LYS A 2 -18.152 -8.816 -1.854 1.00 53.32 C ATOM 44 NZ LYS A 2 -18.365 -8.903 -3.317 1.00 45.41 N ATOM 0 H LYS A 2 -15.779 -6.433 2.891 1.00 62.51 H new ATOM 0 HA LYS A 2 -14.823 -8.902 1.517 1.00 10.34 H new ATOM 0 HB2 LYS A 2 -15.339 -6.188 0.298 1.00 5.43 H new ATOM 0 HB3 LYS A 2 -14.662 -7.586 -0.513 1.00 5.43 H new ATOM 0 HG2 LYS A 2 -16.904 -8.759 0.432 1.00 43.31 H new ATOM 0 HG3 LYS A 2 -17.489 -7.107 0.411 1.00 43.31 H new ATOM 0 HD2 LYS A 2 -17.182 -6.891 -1.945 1.00 21.51 H new ATOM 0 HD3 LYS A 2 -16.077 -8.249 -2.022 1.00 21.51 H new ATOM 0 HE2 LYS A 2 -17.952 -9.809 -1.450 1.00 53.32 H new ATOM 0 HE3 LYS A 2 -19.058 -8.451 -1.370 1.00 53.32 H new ATOM 0 HZ1 LYS A 2 -19.162 -9.541 -3.514 1.00 45.41 H new ATOM 0 HZ2 LYS A 2 -18.577 -7.957 -3.694 1.00 45.41 H new ATOM 0 HZ3 LYS A 2 -17.506 -9.272 -3.772 1.00 45.41 H new ATOM 58 N SER A 3 -13.329 -6.143 2.459 1.00 55.01 N ATOM 59 CA SER A 3 -12.041 -5.589 2.840 1.00 1.34 C ATOM 60 C SER A 3 -12.111 -5.035 4.264 1.00 53.21 C ATOM 61 O SER A 3 -13.195 -4.759 4.776 1.00 52.14 O ATOM 62 CB SER A 3 -11.602 -4.496 1.865 1.00 61.21 C ATOM 63 OG SER A 3 -11.119 -5.036 0.639 1.00 4.25 O ATOM 0 H SER A 3 -14.120 -5.513 2.592 1.00 55.01 H new ATOM 0 HA SER A 3 -11.300 -6.388 2.804 1.00 1.34 H new ATOM 0 HB2 SER A 3 -12.443 -3.832 1.662 1.00 61.21 H new ATOM 0 HB3 SER A 3 -10.822 -3.891 2.327 1.00 61.21 H new ATOM 0 HG SER A 3 -10.850 -4.306 0.043 1.00 4.25 H new ATOM 69 N THR A 4 -10.939 -4.885 4.866 1.00 53.15 N ATOM 70 CA THR A 4 -10.854 -4.368 6.221 1.00 1.20 C ATOM 71 C THR A 4 -10.161 -3.003 6.227 1.00 34.02 C ATOM 72 O THR A 4 -10.822 -1.967 6.253 1.00 52.13 O ATOM 73 CB THR A 4 -10.144 -5.414 7.082 1.00 73.15 C ATOM 74 OG1 THR A 4 -9.224 -6.034 6.188 1.00 53.12 O ATOM 75 CG2 THR A 4 -11.075 -6.553 7.507 1.00 74.44 C ATOM 0 H THR A 4 -10.041 -5.113 4.439 1.00 53.15 H new ATOM 0 HA THR A 4 -11.844 -4.197 6.643 1.00 1.20 H new ATOM 0 HB THR A 4 -9.730 -4.933 7.968 1.00 73.15 H new ATOM 0 HG1 THR A 4 -9.200 -6.999 6.360 1.00 53.12 H new ATOM 0 HG21 THR A 4 -10.521 -7.268 8.116 1.00 74.44 H new ATOM 0 HG22 THR A 4 -11.904 -6.148 8.087 1.00 74.44 H new ATOM 0 HG23 THR A 4 -11.463 -7.055 6.621 1.00 74.44 H new ATOM 83 N PHE A 5 -8.837 -3.049 6.204 1.00 11.00 N ATOM 84 CA PHE A 5 -8.048 -1.828 6.206 1.00 22.31 C ATOM 85 C PHE A 5 -8.297 -1.009 4.938 1.00 41.51 C ATOM 86 O PHE A 5 -7.979 0.178 4.888 1.00 44.32 O ATOM 87 CB PHE A 5 -6.577 -2.248 6.246 1.00 64.21 C ATOM 88 CG PHE A 5 -5.597 -1.112 5.941 1.00 65.11 C ATOM 89 CD1 PHE A 5 -5.229 -0.861 4.656 1.00 10.12 C ATOM 90 CD2 PHE A 5 -5.094 -0.357 6.953 1.00 75.11 C ATOM 91 CE1 PHE A 5 -4.320 0.193 4.373 1.00 0.14 C ATOM 92 CE2 PHE A 5 -4.186 0.698 6.670 1.00 33.11 C ATOM 93 CZ PHE A 5 -3.818 0.949 5.385 1.00 2.25 C ATOM 0 H PHE A 5 -8.291 -3.911 6.184 1.00 11.00 H new ATOM 0 HA PHE A 5 -8.320 -1.211 7.062 1.00 22.31 H new ATOM 0 HB2 PHE A 5 -6.352 -2.653 7.233 1.00 64.21 H new ATOM 0 HB3 PHE A 5 -6.420 -3.053 5.528 1.00 64.21 H new ATOM 0 HD1 PHE A 5 -5.627 -1.462 3.852 1.00 10.12 H new ATOM 0 HD2 PHE A 5 -5.385 -0.559 7.973 1.00 75.11 H new ATOM 0 HE1 PHE A 5 -4.027 0.394 3.353 1.00 0.14 H new ATOM 0 HE2 PHE A 5 -3.789 1.300 7.474 1.00 33.11 H new ATOM 0 HZ PHE A 5 -3.126 1.750 5.168 1.00 2.25 H new ATOM 103 N LYS A 6 -8.867 -1.676 3.944 1.00 54.43 N ATOM 104 CA LYS A 6 -9.164 -1.026 2.680 1.00 61.10 C ATOM 105 C LYS A 6 -10.649 -0.662 2.635 1.00 23.11 C ATOM 106 O LYS A 6 -11.072 0.131 1.795 1.00 53.24 O ATOM 107 CB LYS A 6 -8.707 -1.898 1.509 1.00 72.11 C ATOM 108 CG LYS A 6 -8.096 -1.046 0.396 1.00 41.42 C ATOM 109 CD LYS A 6 -6.658 -0.647 0.738 1.00 55.05 C ATOM 110 CE LYS A 6 -5.835 -0.416 -0.532 1.00 11.24 C ATOM 111 NZ LYS A 6 -4.738 0.541 -0.270 1.00 41.43 N ATOM 0 H LYS A 6 -9.131 -2.660 3.990 1.00 54.43 H new ATOM 0 HA LYS A 6 -8.605 -0.094 2.590 1.00 61.10 H new ATOM 0 HB2 LYS A 6 -7.975 -2.626 1.858 1.00 72.11 H new ATOM 0 HB3 LYS A 6 -9.555 -2.460 1.117 1.00 72.11 H new ATOM 0 HG2 LYS A 6 -8.110 -1.602 -0.542 1.00 41.42 H new ATOM 0 HG3 LYS A 6 -8.700 -0.151 0.245 1.00 41.42 H new ATOM 0 HD2 LYS A 6 -6.663 0.260 1.342 1.00 55.05 H new ATOM 0 HD3 LYS A 6 -6.193 -1.428 1.339 1.00 55.05 H new ATOM 0 HE2 LYS A 6 -5.424 -1.362 -0.884 1.00 11.24 H new ATOM 0 HE3 LYS A 6 -6.478 -0.034 -1.325 1.00 11.24 H new ATOM 0 HZ1 LYS A 6 -4.647 1.194 -1.074 1.00 41.43 H new ATOM 0 HZ2 LYS A 6 -4.948 1.082 0.593 1.00 41.43 H new ATOM 0 HZ3 LYS A 6 -3.846 0.021 -0.144 1.00 41.43 H new ATOM 125 N SER A 7 -11.399 -1.258 3.549 1.00 32.24 N ATOM 126 CA SER A 7 -12.828 -1.006 3.624 1.00 10.10 C ATOM 127 C SER A 7 -13.115 0.073 4.670 1.00 13.42 C ATOM 128 O SER A 7 -14.273 0.369 4.958 1.00 63.35 O ATOM 129 CB SER A 7 -13.597 -2.288 3.958 1.00 44.33 C ATOM 130 OG SER A 7 -14.999 -2.135 3.764 1.00 52.21 O ATOM 0 H SER A 7 -11.044 -1.915 4.244 1.00 32.24 H new ATOM 0 HA SER A 7 -13.165 -0.656 2.648 1.00 10.10 H new ATOM 0 HB2 SER A 7 -13.231 -3.103 3.333 1.00 44.33 H new ATOM 0 HB3 SER A 7 -13.403 -2.568 4.993 1.00 44.33 H new ATOM 0 HG SER A 7 -15.280 -1.253 4.087 1.00 52.21 H new ATOM 136 N GLU A 8 -12.041 0.632 5.207 1.00 33.03 N ATOM 137 CA GLU A 8 -12.163 1.671 6.214 1.00 53.01 C ATOM 138 C GLU A 8 -12.438 3.022 5.551 1.00 75.05 C ATOM 139 O GLU A 8 -13.503 3.608 5.744 1.00 11.10 O ATOM 140 CB GLU A 8 -10.911 1.736 7.091 1.00 50.33 C ATOM 141 CG GLU A 8 -11.011 2.872 8.110 1.00 33.05 C ATOM 142 CD GLU A 8 -12.171 2.636 9.081 1.00 44.11 C ATOM 143 OE1 GLU A 8 -11.967 2.062 10.161 1.00 71.32 O ATOM 144 OE2 GLU A 8 -13.316 3.072 8.678 1.00 31.12 O ATOM 0 H GLU A 8 -11.082 0.385 4.963 1.00 33.03 H new ATOM 0 HA GLU A 8 -13.006 1.426 6.860 1.00 53.01 H new ATOM 0 HB2 GLU A 8 -10.778 0.787 7.611 1.00 50.33 H new ATOM 0 HB3 GLU A 8 -10.031 1.882 6.464 1.00 50.33 H new ATOM 0 HG2 GLU A 8 -10.077 2.950 8.666 1.00 33.05 H new ATOM 0 HG3 GLU A 8 -11.153 3.820 7.591 1.00 33.05 H new ATOM 152 N TYR A 9 -11.459 3.479 4.783 1.00 11.51 N ATOM 153 CA TYR A 9 -11.583 4.750 4.090 1.00 34.03 C ATOM 154 C TYR A 9 -11.658 4.544 2.575 1.00 13.04 C ATOM 155 O TYR A 9 -11.364 3.458 2.077 1.00 20.14 O ATOM 156 CB TYR A 9 -10.314 5.536 4.424 1.00 23.45 C ATOM 157 CG TYR A 9 -9.038 4.693 4.414 1.00 45.31 C ATOM 158 CD1 TYR A 9 -8.700 3.939 5.520 1.00 32.35 C ATOM 159 CD2 TYR A 9 -8.224 4.685 3.300 1.00 31.32 C ATOM 160 CE1 TYR A 9 -7.500 3.144 5.511 1.00 14.04 C ATOM 161 CE2 TYR A 9 -7.022 3.891 3.290 1.00 14.01 C ATOM 162 CZ TYR A 9 -6.721 3.160 4.396 1.00 24.23 C ATOM 163 OH TYR A 9 -5.586 2.410 4.388 1.00 62.13 O ATOM 0 H TYR A 9 -10.577 2.992 4.626 1.00 11.51 H new ATOM 0 HA TYR A 9 -12.490 5.269 4.398 1.00 34.03 H new ATOM 0 HB2 TYR A 9 -10.205 6.350 3.708 1.00 23.45 H new ATOM 0 HB3 TYR A 9 -10.429 5.990 5.408 1.00 23.45 H new ATOM 0 HD1 TYR A 9 -9.336 3.946 6.393 1.00 32.35 H new ATOM 0 HD2 TYR A 9 -8.488 5.275 2.435 1.00 31.32 H new ATOM 0 HE1 TYR A 9 -7.225 2.549 6.369 1.00 14.04 H new ATOM 0 HE2 TYR A 9 -6.376 3.877 2.425 1.00 14.01 H new ATOM 0 HH TYR A 9 -5.673 1.678 5.033 1.00 62.13 H new ATOM 173 N PRO A 10 -12.062 5.632 1.867 1.00 21.33 N ATOM 174 CA PRO A 10 -12.178 5.582 0.420 1.00 5.43 C ATOM 175 C PRO A 10 -10.801 5.619 -0.243 1.00 23.30 C ATOM 176 O PRO A 10 -9.779 5.624 0.441 1.00 24.20 O ATOM 177 CB PRO A 10 -13.048 6.774 0.054 1.00 2.54 C ATOM 178 CG PRO A 10 -13.000 7.709 1.251 1.00 23.32 C ATOM 179 CD PRO A 10 -12.417 6.934 2.423 1.00 44.44 C ATOM 0 HA PRO A 10 -12.628 4.654 0.066 1.00 5.43 H new ATOM 0 HB2 PRO A 10 -12.675 7.269 -0.843 1.00 2.54 H new ATOM 0 HB3 PRO A 10 -14.071 6.461 -0.156 1.00 2.54 H new ATOM 0 HG2 PRO A 10 -12.388 8.583 1.029 1.00 23.32 H new ATOM 0 HG3 PRO A 10 -13.999 8.072 1.492 1.00 23.32 H new ATOM 0 HD2 PRO A 10 -11.544 7.439 2.837 1.00 44.44 H new ATOM 0 HD3 PRO A 10 -13.141 6.835 3.232 1.00 44.44 H new ATOM 187 N PHE A 11 -10.818 5.645 -1.569 1.00 12.11 N ATOM 188 CA PHE A 11 -9.581 5.683 -2.332 1.00 25.15 C ATOM 189 C PHE A 11 -8.808 6.974 -2.059 1.00 3.34 C ATOM 190 O PHE A 11 -7.615 6.935 -1.763 1.00 13.02 O ATOM 191 CB PHE A 11 -9.968 5.635 -3.811 1.00 73.12 C ATOM 192 CG PHE A 11 -8.828 5.999 -4.764 1.00 53.51 C ATOM 193 CD1 PHE A 11 -8.613 7.299 -5.103 1.00 3.24 C ATOM 194 CD2 PHE A 11 -8.029 5.024 -5.272 1.00 64.31 C ATOM 195 CE1 PHE A 11 -7.556 7.636 -5.987 1.00 60.21 C ATOM 196 CE2 PHE A 11 -6.971 5.361 -6.156 1.00 0.24 C ATOM 197 CZ PHE A 11 -6.756 6.661 -6.496 1.00 72.02 C ATOM 0 H PHE A 11 -11.668 5.640 -2.133 1.00 12.11 H new ATOM 0 HA PHE A 11 -8.943 4.845 -2.051 1.00 25.15 H new ATOM 0 HB2 PHE A 11 -10.323 4.633 -4.051 1.00 73.12 H new ATOM 0 HB3 PHE A 11 -10.801 6.317 -3.980 1.00 73.12 H new ATOM 0 HD1 PHE A 11 -9.247 8.074 -4.699 1.00 3.24 H new ATOM 0 HD2 PHE A 11 -8.199 3.992 -5.003 1.00 64.31 H new ATOM 0 HE1 PHE A 11 -7.386 8.668 -6.256 1.00 60.21 H new ATOM 0 HE2 PHE A 11 -6.336 4.586 -6.559 1.00 0.24 H new ATOM 0 HZ PHE A 11 -5.951 6.918 -7.169 1.00 72.02 H new ATOM 207 N GLU A 12 -9.518 8.086 -2.171 1.00 32.21 N ATOM 208 CA GLU A 12 -8.913 9.386 -1.940 1.00 43.50 C ATOM 209 C GLU A 12 -8.106 9.374 -0.639 1.00 41.32 C ATOM 210 O GLU A 12 -7.220 10.205 -0.447 1.00 72.13 O ATOM 211 CB GLU A 12 -9.974 10.489 -1.915 1.00 61.12 C ATOM 212 CG GLU A 12 -10.678 10.602 -3.270 1.00 72.25 C ATOM 213 CD GLU A 12 -12.008 11.346 -3.135 1.00 53.25 C ATOM 214 OE1 GLU A 12 -13.078 10.730 -3.254 1.00 30.14 O ATOM 215 OE2 GLU A 12 -11.904 12.610 -2.897 1.00 20.32 O ATOM 0 H GLU A 12 -10.507 8.114 -2.419 1.00 32.21 H new ATOM 0 HA GLU A 12 -8.233 9.599 -2.765 1.00 43.50 H new ATOM 0 HB2 GLU A 12 -10.707 10.276 -1.137 1.00 61.12 H new ATOM 0 HB3 GLU A 12 -9.508 11.441 -1.662 1.00 61.12 H new ATOM 0 HG2 GLU A 12 -10.034 11.126 -3.976 1.00 72.25 H new ATOM 0 HG3 GLU A 12 -10.854 9.606 -3.677 1.00 72.25 H new ATOM 223 N LYS A 13 -8.441 8.422 0.218 1.00 5.43 N ATOM 224 CA LYS A 13 -7.759 8.289 1.494 1.00 64.41 C ATOM 225 C LYS A 13 -6.509 7.426 1.312 1.00 40.34 C ATOM 226 O LYS A 13 -5.406 7.841 1.664 1.00 3.22 O ATOM 227 CB LYS A 13 -8.719 7.765 2.563 1.00 65.01 C ATOM 228 CG LYS A 13 -9.304 8.915 3.387 1.00 14.12 C ATOM 229 CD LYS A 13 -8.401 9.253 4.574 1.00 72.31 C ATOM 230 CE LYS A 13 -9.015 8.762 5.888 1.00 2.41 C ATOM 231 NZ LYS A 13 -8.080 7.857 6.591 1.00 34.20 N ATOM 0 H LYS A 13 -9.176 7.734 0.054 1.00 5.43 H new ATOM 0 HA LYS A 13 -7.424 9.263 1.850 1.00 64.41 H new ATOM 0 HB2 LYS A 13 -9.526 7.205 2.089 1.00 65.01 H new ATOM 0 HB3 LYS A 13 -8.194 7.072 3.221 1.00 65.01 H new ATOM 0 HG2 LYS A 13 -9.425 9.795 2.755 1.00 14.12 H new ATOM 0 HG3 LYS A 13 -10.296 8.642 3.746 1.00 14.12 H new ATOM 0 HD2 LYS A 13 -7.422 8.795 4.433 1.00 72.31 H new ATOM 0 HD3 LYS A 13 -8.245 10.331 4.622 1.00 72.31 H new ATOM 0 HE2 LYS A 13 -9.254 9.614 6.525 1.00 2.41 H new ATOM 0 HE3 LYS A 13 -9.951 8.242 5.687 1.00 2.41 H new ATOM 0 HZ1 LYS A 13 -8.512 7.533 7.480 1.00 34.20 H new ATOM 0 HZ2 LYS A 13 -7.872 7.036 5.988 1.00 34.20 H new ATOM 0 HZ3 LYS A 13 -7.197 8.365 6.800 1.00 34.20 H new ATOM 245 N ARG A 14 -6.725 6.239 0.764 1.00 61.35 N ATOM 246 CA ARG A 14 -5.629 5.312 0.531 1.00 70.54 C ATOM 247 C ARG A 14 -4.664 5.883 -0.510 1.00 72.40 C ATOM 248 O ARG A 14 -3.557 5.373 -0.681 1.00 21.25 O ATOM 249 CB ARG A 14 -6.147 3.956 0.048 1.00 65.45 C ATOM 250 CG ARG A 14 -6.382 3.967 -1.464 1.00 13.40 C ATOM 251 CD ARG A 14 -7.303 2.819 -1.884 1.00 22.22 C ATOM 252 NE ARG A 14 -7.291 2.673 -3.357 1.00 41.21 N ATOM 253 CZ ARG A 14 -8.033 1.771 -4.035 1.00 43.14 C ATOM 254 NH1 ARG A 14 -8.851 0.924 -3.374 1.00 33.03 N ATOM 255 NH2 ARG A 14 -7.944 1.728 -5.349 1.00 2.22 N ATOM 0 H ARG A 14 -7.642 5.898 0.475 1.00 61.35 H new ATOM 0 HA ARG A 14 -5.107 5.171 1.477 1.00 70.54 H new ATOM 0 HB2 ARG A 14 -5.429 3.176 0.303 1.00 65.45 H new ATOM 0 HB3 ARG A 14 -7.077 3.713 0.563 1.00 65.45 H new ATOM 0 HG2 ARG A 14 -6.823 4.919 -1.760 1.00 13.40 H new ATOM 0 HG3 ARG A 14 -5.428 3.882 -1.985 1.00 13.40 H new ATOM 0 HD2 ARG A 14 -6.977 1.890 -1.416 1.00 22.22 H new ATOM 0 HD3 ARG A 14 -8.318 3.011 -1.538 1.00 22.22 H new ATOM 0 HE ARG A 14 -6.684 3.293 -3.894 1.00 41.21 H new ATOM 0 HH11 ARG A 14 -8.911 0.963 -2.357 1.00 33.03 H new ATOM 0 HH12 ARG A 14 -9.409 0.245 -3.892 1.00 33.03 H new ATOM 0 HH21 ARG A 14 -7.321 2.370 -5.839 1.00 2.22 H new ATOM 0 HH22 ARG A 14 -8.498 1.053 -5.876 1.00 2.22 H new ATOM 269 N LYS A 15 -5.120 6.931 -1.180 1.00 2.20 N ATOM 270 CA LYS A 15 -4.310 7.575 -2.201 1.00 31.35 C ATOM 271 C LYS A 15 -3.432 8.646 -1.549 1.00 5.31 C ATOM 272 O LYS A 15 -2.263 8.794 -1.902 1.00 31.23 O ATOM 273 CB LYS A 15 -5.195 8.108 -3.329 1.00 63.02 C ATOM 274 CG LYS A 15 -5.472 9.603 -3.148 1.00 33.43 C ATOM 275 CD LYS A 15 -6.293 10.153 -4.316 1.00 1.00 C ATOM 276 CE LYS A 15 -6.721 11.597 -4.052 1.00 21.04 C ATOM 277 NZ LYS A 15 -7.379 12.170 -5.248 1.00 61.42 N ATOM 0 H LYS A 15 -6.039 7.350 -1.036 1.00 2.20 H new ATOM 0 HA LYS A 15 -3.639 6.853 -2.667 1.00 31.35 H new ATOM 0 HB2 LYS A 15 -4.708 7.938 -4.289 1.00 63.02 H new ATOM 0 HB3 LYS A 15 -6.137 7.559 -3.348 1.00 63.02 H new ATOM 0 HG2 LYS A 15 -6.008 9.767 -2.213 1.00 33.43 H new ATOM 0 HG3 LYS A 15 -4.529 10.145 -3.074 1.00 33.43 H new ATOM 0 HD2 LYS A 15 -5.705 10.106 -5.233 1.00 1.00 H new ATOM 0 HD3 LYS A 15 -7.175 9.531 -4.470 1.00 1.00 H new ATOM 0 HE2 LYS A 15 -7.404 11.631 -3.203 1.00 21.04 H new ATOM 0 HE3 LYS A 15 -5.851 12.197 -3.786 1.00 21.04 H new ATOM 0 HZ1 LYS A 15 -7.663 13.151 -5.051 1.00 61.42 H new ATOM 0 HZ2 LYS A 15 -6.716 12.156 -6.049 1.00 61.42 H new ATOM 0 HZ3 LYS A 15 -8.221 11.607 -5.485 1.00 61.42 H new ATOM 291 N ALA A 16 -4.030 9.363 -0.609 1.00 43.45 N ATOM 292 CA ALA A 16 -3.318 10.416 0.095 1.00 33.41 C ATOM 293 C ALA A 16 -2.457 9.795 1.197 1.00 52.13 C ATOM 294 O ALA A 16 -1.652 10.481 1.822 1.00 11.03 O ATOM 295 CB ALA A 16 -4.319 11.434 0.641 1.00 50.03 C ATOM 0 H ALA A 16 -4.999 9.236 -0.319 1.00 43.45 H new ATOM 0 HA ALA A 16 -2.651 10.948 -0.584 1.00 33.41 H new ATOM 0 HB1 ALA A 16 -3.784 12.223 1.169 1.00 50.03 H new ATOM 0 HB2 ALA A 16 -4.884 11.868 -0.184 1.00 50.03 H new ATOM 0 HB3 ALA A 16 -5.004 10.938 1.328 1.00 50.03 H new ATOM 301 N GLU A 17 -2.660 8.501 1.402 1.00 45.42 N ATOM 302 CA GLU A 17 -1.913 7.779 2.419 1.00 11.22 C ATOM 303 C GLU A 17 -0.588 7.273 1.846 1.00 13.51 C ATOM 304 O GLU A 17 0.483 7.661 2.311 1.00 44.12 O ATOM 305 CB GLU A 17 -2.740 6.626 2.990 1.00 32.21 C ATOM 306 CG GLU A 17 -1.852 5.639 3.753 1.00 41.44 C ATOM 307 CD GLU A 17 -1.261 6.292 5.005 1.00 1.55 C ATOM 308 OE1 GLU A 17 -0.898 7.478 4.975 1.00 64.25 O ATOM 309 OE2 GLU A 17 -1.187 5.521 6.037 1.00 63.21 O ATOM 0 H GLU A 17 -3.330 7.935 0.882 1.00 45.42 H new ATOM 0 HA GLU A 17 -1.693 8.465 3.237 1.00 11.22 H new ATOM 0 HB2 GLU A 17 -3.508 7.020 3.656 1.00 32.21 H new ATOM 0 HB3 GLU A 17 -3.255 6.107 2.181 1.00 32.21 H new ATOM 0 HG2 GLU A 17 -2.435 4.762 4.036 1.00 41.44 H new ATOM 0 HG3 GLU A 17 -1.048 5.291 3.105 1.00 41.44 H new ATOM 317 N SER A 18 -0.703 6.415 0.843 1.00 32.43 N ATOM 318 CA SER A 18 0.473 5.851 0.201 1.00 63.41 C ATOM 319 C SER A 18 1.371 6.973 -0.320 1.00 73.40 C ATOM 320 O SER A 18 2.550 6.752 -0.595 1.00 73.04 O ATOM 321 CB SER A 18 0.080 4.912 -0.940 1.00 72.20 C ATOM 322 OG SER A 18 -1.275 5.097 -1.343 1.00 23.24 O ATOM 0 H SER A 18 -1.593 6.096 0.459 1.00 32.43 H new ATOM 0 HA SER A 18 1.022 5.269 0.941 1.00 63.41 H new ATOM 0 HB2 SER A 18 0.738 5.082 -1.792 1.00 72.20 H new ATOM 0 HB3 SER A 18 0.227 3.879 -0.626 1.00 72.20 H new ATOM 0 HG SER A 18 -1.870 4.649 -0.706 1.00 23.24 H new ATOM 328 N GLU A 19 0.782 8.153 -0.440 1.00 72.31 N ATOM 329 CA GLU A 19 1.515 9.311 -0.924 1.00 1.34 C ATOM 330 C GLU A 19 2.447 9.843 0.167 1.00 3.30 C ATOM 331 O GLU A 19 3.560 10.281 -0.120 1.00 22.02 O ATOM 332 CB GLU A 19 0.559 10.402 -1.407 1.00 51.31 C ATOM 333 CG GLU A 19 0.036 10.089 -2.811 1.00 25.43 C ATOM 334 CD GLU A 19 1.020 10.562 -3.882 1.00 10.12 C ATOM 335 OE1 GLU A 19 0.691 11.455 -4.677 1.00 65.44 O ATOM 336 OE2 GLU A 19 2.166 9.969 -3.869 1.00 13.54 O ATOM 0 H GLU A 19 -0.195 8.333 -0.210 1.00 72.31 H new ATOM 0 HA GLU A 19 2.122 9.003 -1.775 1.00 1.34 H new ATOM 0 HB2 GLU A 19 -0.278 10.490 -0.714 1.00 51.31 H new ATOM 0 HB3 GLU A 19 1.072 11.364 -1.412 1.00 51.31 H new ATOM 0 HG2 GLU A 19 -0.127 9.016 -2.911 1.00 25.43 H new ATOM 0 HG3 GLU A 19 -0.929 10.574 -2.960 1.00 25.43 H new ATOM 344 N ARG A 20 1.959 9.787 1.398 1.00 64.42 N ATOM 345 CA ARG A 20 2.733 10.258 2.534 1.00 61.32 C ATOM 346 C ARG A 20 3.627 9.137 3.067 1.00 72.54 C ATOM 347 O ARG A 20 4.682 9.400 3.641 1.00 12.42 O ATOM 348 CB ARG A 20 1.819 10.751 3.658 1.00 21.21 C ATOM 349 CG ARG A 20 0.816 9.670 4.063 1.00 4.23 C ATOM 350 CD ARG A 20 0.188 9.987 5.421 1.00 54.55 C ATOM 351 NE ARG A 20 0.954 9.326 6.501 1.00 51.32 N ATOM 352 CZ ARG A 20 0.440 9.004 7.707 1.00 55.13 C ATOM 353 NH1 ARG A 20 -0.850 9.280 7.998 1.00 61.44 N ATOM 354 NH2 ARG A 20 1.216 8.414 8.597 1.00 74.03 N ATOM 0 H ARG A 20 1.036 9.422 1.633 1.00 64.42 H new ATOM 0 HA ARG A 20 3.350 11.089 2.193 1.00 61.32 H new ATOM 0 HB2 ARG A 20 2.420 11.036 4.521 1.00 21.21 H new ATOM 0 HB3 ARG A 20 1.285 11.644 3.332 1.00 21.21 H new ATOM 0 HG2 ARG A 20 0.035 9.591 3.307 1.00 4.23 H new ATOM 0 HG3 ARG A 20 1.316 8.703 4.106 1.00 4.23 H new ATOM 0 HD2 ARG A 20 0.174 11.065 5.581 1.00 54.55 H new ATOM 0 HD3 ARG A 20 -0.848 9.649 5.439 1.00 54.55 H new ATOM 0 HE ARG A 20 1.932 9.099 6.323 1.00 51.32 H new ATOM 0 HH11 ARG A 20 -1.443 9.735 7.304 1.00 61.44 H new ATOM 0 HH12 ARG A 20 -1.231 9.033 8.912 1.00 61.44 H new ATOM 0 HH21 ARG A 20 2.189 8.208 8.369 1.00 74.03 H new ATOM 0 HH22 ARG A 20 0.843 8.164 9.513 1.00 74.03 H new ATOM 368 N ILE A 21 3.171 7.910 2.859 1.00 62.20 N ATOM 369 CA ILE A 21 3.916 6.748 3.313 1.00 14.54 C ATOM 370 C ILE A 21 5.306 6.756 2.673 1.00 33.24 C ATOM 371 O ILE A 21 6.224 6.103 3.164 1.00 12.23 O ATOM 372 CB ILE A 21 3.124 5.465 3.047 1.00 70.13 C ATOM 373 CG1 ILE A 21 2.075 5.235 4.137 1.00 52.51 C ATOM 374 CG2 ILE A 21 4.059 4.267 2.889 1.00 40.52 C ATOM 375 CD1 ILE A 21 1.523 3.809 4.072 1.00 64.42 C ATOM 0 H ILE A 21 2.295 7.696 2.382 1.00 62.20 H new ATOM 0 HA ILE A 21 4.061 6.787 4.393 1.00 14.54 H new ATOM 0 HB ILE A 21 2.589 5.581 2.104 1.00 70.13 H new ATOM 0 HG12 ILE A 21 2.518 5.413 5.117 1.00 52.51 H new ATOM 0 HG13 ILE A 21 1.261 5.950 4.020 1.00 52.51 H new ATOM 0 HG21 ILE A 21 3.471 3.369 2.701 1.00 40.52 H new ATOM 0 HG22 ILE A 21 4.734 4.441 2.051 1.00 40.52 H new ATOM 0 HG23 ILE A 21 4.640 4.136 3.802 1.00 40.52 H new ATOM 0 HD11 ILE A 21 0.779 3.671 4.857 1.00 64.42 H new ATOM 0 HD12 ILE A 21 1.060 3.642 3.100 1.00 64.42 H new ATOM 0 HD13 ILE A 21 2.336 3.097 4.213 1.00 64.42 H new ATOM 387 N ALA A 22 5.415 7.504 1.584 1.00 53.32 N ATOM 388 CA ALA A 22 6.676 7.606 0.871 1.00 24.25 C ATOM 389 C ALA A 22 7.669 8.413 1.712 1.00 24.12 C ATOM 390 O ALA A 22 8.877 8.198 1.628 1.00 11.34 O ATOM 391 CB ALA A 22 6.436 8.229 -0.505 1.00 5.11 C ATOM 0 H ALA A 22 4.651 8.045 1.179 1.00 53.32 H new ATOM 0 HA ALA A 22 7.107 6.618 0.710 1.00 24.25 H new ATOM 0 HB1 ALA A 22 7.383 8.305 -1.040 1.00 5.11 H new ATOM 0 HB2 ALA A 22 5.748 7.603 -1.073 1.00 5.11 H new ATOM 0 HB3 ALA A 22 6.006 9.223 -0.384 1.00 5.11 H new ATOM 397 N ASP A 23 7.121 9.325 2.501 1.00 25.10 N ATOM 398 CA ASP A 23 7.942 10.166 3.356 1.00 52.05 C ATOM 399 C ASP A 23 8.248 9.419 4.656 1.00 73.32 C ATOM 400 O ASP A 23 9.363 9.491 5.169 1.00 52.31 O ATOM 401 CB ASP A 23 7.217 11.463 3.715 1.00 42.33 C ATOM 402 CG ASP A 23 7.991 12.403 4.641 1.00 74.04 C ATOM 403 OD1 ASP A 23 8.915 13.107 4.209 1.00 25.13 O ATOM 404 OD2 ASP A 23 7.605 12.394 5.872 1.00 10.42 O ATOM 0 H ASP A 23 6.118 9.500 2.566 1.00 25.10 H new ATOM 0 HA ASP A 23 8.858 10.404 2.815 1.00 52.05 H new ATOM 0 HB2 ASP A 23 6.982 11.997 2.794 1.00 42.33 H new ATOM 0 HB3 ASP A 23 6.268 11.212 4.188 1.00 42.33 H new ATOM 410 N ARG A 24 7.236 8.721 5.151 1.00 2.03 N ATOM 411 CA ARG A 24 7.382 7.963 6.382 1.00 72.20 C ATOM 412 C ARG A 24 8.080 6.630 6.105 1.00 42.41 C ATOM 413 O ARG A 24 8.601 5.996 7.021 1.00 42.21 O ATOM 414 CB ARG A 24 6.022 7.695 7.028 1.00 3.23 C ATOM 415 CG ARG A 24 5.634 8.826 7.982 1.00 41.44 C ATOM 416 CD ARG A 24 4.885 8.283 9.201 1.00 53.35 C ATOM 417 NE ARG A 24 5.697 7.245 9.872 1.00 3.11 N ATOM 418 CZ ARG A 24 5.237 6.443 10.856 1.00 64.41 C ATOM 419 NH1 ARG A 24 3.964 6.553 11.291 1.00 24.30 N ATOM 420 NH2 ARG A 24 6.051 5.547 11.385 1.00 54.54 N ATOM 0 H ARG A 24 6.312 8.665 4.722 1.00 2.03 H new ATOM 0 HA ARG A 24 7.986 8.557 7.068 1.00 72.20 H new ATOM 0 HB2 ARG A 24 5.262 7.591 6.254 1.00 3.23 H new ATOM 0 HB3 ARG A 24 6.054 6.751 7.572 1.00 3.23 H new ATOM 0 HG2 ARG A 24 6.530 9.355 8.307 1.00 41.44 H new ATOM 0 HG3 ARG A 24 5.008 9.549 7.459 1.00 41.44 H new ATOM 0 HD2 ARG A 24 4.669 9.094 9.897 1.00 53.35 H new ATOM 0 HD3 ARG A 24 3.927 7.864 8.893 1.00 53.35 H new ATOM 0 HE ARG A 24 6.665 7.128 9.573 1.00 3.11 H new ATOM 0 HH11 ARG A 24 3.341 7.246 10.876 1.00 24.30 H new ATOM 0 HH12 ARG A 24 3.625 5.943 12.035 1.00 24.30 H new ATOM 0 HH21 ARG A 24 7.011 5.469 11.049 1.00 54.54 H new ATOM 0 HH22 ARG A 24 5.720 4.933 12.129 1.00 54.54 H new ATOM 434 N PHE A 25 8.068 6.244 4.837 1.00 64.32 N ATOM 435 CA PHE A 25 8.692 4.998 4.428 1.00 21.45 C ATOM 436 C PHE A 25 9.002 5.006 2.929 1.00 22.31 C ATOM 437 O PHE A 25 8.306 4.365 2.144 1.00 4.20 O ATOM 438 CB PHE A 25 7.692 3.879 4.724 1.00 21.33 C ATOM 439 CG PHE A 25 7.104 3.927 6.135 1.00 40.00 C ATOM 440 CD1 PHE A 25 7.809 3.424 7.184 1.00 31.32 C ATOM 441 CD2 PHE A 25 5.876 4.474 6.341 1.00 62.14 C ATOM 442 CE1 PHE A 25 7.262 3.469 8.494 1.00 64.13 C ATOM 443 CE2 PHE A 25 5.329 4.519 7.652 1.00 33.12 C ATOM 444 CZ PHE A 25 6.035 4.015 8.700 1.00 35.34 C ATOM 0 H PHE A 25 7.636 6.773 4.080 1.00 64.32 H new ATOM 0 HA PHE A 25 9.630 4.858 4.965 1.00 21.45 H new ATOM 0 HB2 PHE A 25 6.878 3.932 4.001 1.00 21.33 H new ATOM 0 HB3 PHE A 25 8.185 2.918 4.579 1.00 21.33 H new ATOM 0 HD1 PHE A 25 8.785 2.990 7.021 1.00 31.32 H new ATOM 0 HD2 PHE A 25 5.317 4.874 5.508 1.00 62.14 H new ATOM 0 HE1 PHE A 25 7.822 3.069 9.327 1.00 64.13 H new ATOM 0 HE2 PHE A 25 4.354 4.953 7.816 1.00 33.12 H new ATOM 0 HZ PHE A 25 5.620 4.049 9.696 1.00 35.34 H new ATOM 454 N PRO A 26 10.075 5.761 2.568 1.00 41.11 N ATOM 455 CA PRO A 26 10.484 5.861 1.177 1.00 13.25 C ATOM 456 C PRO A 26 11.186 4.581 0.720 1.00 62.02 C ATOM 457 O PRO A 26 11.002 4.141 -0.414 1.00 74.20 O ATOM 458 CB PRO A 26 11.384 7.085 1.119 1.00 14.12 C ATOM 459 CG PRO A 26 11.818 7.351 2.553 1.00 11.53 C ATOM 460 CD PRO A 26 10.922 6.535 3.470 1.00 22.31 C ATOM 0 HA PRO A 26 9.640 5.971 0.496 1.00 13.25 H new ATOM 0 HB2 PRO A 26 12.246 6.906 0.477 1.00 14.12 H new ATOM 0 HB3 PRO A 26 10.852 7.942 0.706 1.00 14.12 H new ATOM 0 HG2 PRO A 26 12.863 7.073 2.694 1.00 11.53 H new ATOM 0 HG3 PRO A 26 11.737 8.413 2.786 1.00 11.53 H new ATOM 0 HD2 PRO A 26 11.508 5.884 4.119 1.00 22.31 H new ATOM 0 HD3 PRO A 26 10.327 7.179 4.117 1.00 22.31 H new ATOM 468 N ASN A 27 11.976 4.020 1.624 1.00 3.54 N ATOM 469 CA ASN A 27 12.706 2.801 1.327 1.00 53.31 C ATOM 470 C ASN A 27 11.866 1.592 1.749 1.00 42.04 C ATOM 471 O ASN A 27 12.391 0.632 2.311 1.00 41.30 O ATOM 472 CB ASN A 27 14.028 2.747 2.096 1.00 71.12 C ATOM 473 CG ASN A 27 14.788 4.069 1.968 1.00 53.14 C ATOM 474 OD1 ASN A 27 14.924 4.636 0.895 1.00 72.44 O ATOM 475 ND2 ASN A 27 15.276 4.526 3.117 1.00 54.31 N ATOM 0 H ASN A 27 12.126 4.388 2.563 1.00 3.54 H new ATOM 0 HA ASN A 27 12.910 2.785 0.256 1.00 53.31 H new ATOM 0 HB2 ASN A 27 13.833 2.535 3.147 1.00 71.12 H new ATOM 0 HB3 ASN A 27 14.642 1.931 1.715 1.00 71.12 H new ATOM 0 HD21 ASN A 27 15.800 5.401 3.136 1.00 54.31 H new ATOM 0 HD22 ASN A 27 15.126 4.002 3.979 1.00 54.31 H new ATOM 482 N ARG A 28 10.575 1.680 1.462 1.00 14.04 N ATOM 483 CA ARG A 28 9.658 0.608 1.805 1.00 70.34 C ATOM 484 C ARG A 28 8.816 0.219 0.588 1.00 20.11 C ATOM 485 O ARG A 28 8.993 0.773 -0.496 1.00 11.54 O ATOM 486 CB ARG A 28 8.727 1.023 2.947 1.00 32.42 C ATOM 487 CG ARG A 28 9.425 0.882 4.301 1.00 75.13 C ATOM 488 CD ARG A 28 10.018 -0.519 4.470 1.00 41.41 C ATOM 489 NE ARG A 28 9.824 -0.985 5.861 1.00 33.42 N ATOM 490 CZ ARG A 28 10.400 -0.413 6.938 1.00 25.54 C ATOM 491 NH1 ARG A 28 11.212 0.656 6.795 1.00 25.31 N ATOM 492 NH2 ARG A 28 10.158 -0.914 8.135 1.00 71.52 N ATOM 0 H ARG A 28 10.143 2.478 0.996 1.00 14.04 H new ATOM 0 HA ARG A 28 10.254 -0.246 2.128 1.00 70.34 H new ATOM 0 HB2 ARG A 28 8.408 2.055 2.804 1.00 32.42 H new ATOM 0 HB3 ARG A 28 7.828 0.406 2.931 1.00 32.42 H new ATOM 0 HG2 ARG A 28 10.215 1.628 4.386 1.00 75.13 H new ATOM 0 HG3 ARG A 28 8.714 1.079 5.103 1.00 75.13 H new ATOM 0 HD2 ARG A 28 9.541 -1.211 3.776 1.00 41.41 H new ATOM 0 HD3 ARG A 28 11.080 -0.505 4.227 1.00 41.41 H new ATOM 0 HE ARG A 28 9.216 -1.790 6.015 1.00 33.42 H new ATOM 0 HH11 ARG A 28 11.394 1.038 5.867 1.00 25.31 H new ATOM 0 HH12 ARG A 28 11.643 1.082 7.615 1.00 25.31 H new ATOM 0 HH21 ARG A 28 9.543 -1.722 8.235 1.00 71.52 H new ATOM 0 HH22 ARG A 28 10.586 -0.493 8.960 1.00 71.52 H new ATOM 506 N ILE A 29 7.921 -0.733 0.806 1.00 73.21 N ATOM 507 CA ILE A 29 7.052 -1.202 -0.261 1.00 73.02 C ATOM 508 C ILE A 29 5.694 -1.590 0.328 1.00 4.10 C ATOM 509 O ILE A 29 5.528 -2.698 0.837 1.00 71.12 O ATOM 510 CB ILE A 29 7.728 -2.330 -1.045 1.00 63.20 C ATOM 511 CG1 ILE A 29 9.040 -1.852 -1.670 1.00 33.13 C ATOM 512 CG2 ILE A 29 6.777 -2.918 -2.087 1.00 31.31 C ATOM 513 CD1 ILE A 29 8.779 -0.807 -2.756 1.00 4.23 C ATOM 0 H ILE A 29 7.778 -1.193 1.705 1.00 73.21 H new ATOM 0 HA ILE A 29 6.871 -0.406 -0.984 1.00 73.02 H new ATOM 0 HB ILE A 29 7.976 -3.131 -0.348 1.00 63.20 H new ATOM 0 HG12 ILE A 29 9.682 -1.427 -0.898 1.00 33.13 H new ATOM 0 HG13 ILE A 29 9.574 -2.701 -2.097 1.00 33.13 H new ATOM 0 HG21 ILE A 29 7.281 -3.717 -2.630 1.00 31.31 H new ATOM 0 HG22 ILE A 29 5.894 -3.319 -1.589 1.00 31.31 H new ATOM 0 HG23 ILE A 29 6.476 -2.138 -2.786 1.00 31.31 H new ATOM 0 HD11 ILE A 29 9.727 -0.483 -3.185 1.00 4.23 H new ATOM 0 HD12 ILE A 29 8.157 -1.243 -3.538 1.00 4.23 H new ATOM 0 HD13 ILE A 29 8.266 0.050 -2.320 1.00 4.23 H new ATOM 525 N PRO A 30 4.732 -0.633 0.236 1.00 11.44 N ATOM 526 CA PRO A 30 3.395 -0.864 0.752 1.00 41.20 C ATOM 527 C PRO A 30 2.605 -1.797 -0.169 1.00 64.02 C ATOM 528 O PRO A 30 2.691 -1.687 -1.391 1.00 31.24 O ATOM 529 CB PRO A 30 2.775 0.519 0.872 1.00 23.13 C ATOM 530 CG PRO A 30 3.612 1.428 -0.014 1.00 14.13 C ATOM 531 CD PRO A 30 4.894 0.689 -0.361 1.00 23.23 C ATOM 0 HA PRO A 30 3.398 -1.369 1.718 1.00 41.20 H new ATOM 0 HB2 PRO A 30 1.734 0.510 0.550 1.00 23.13 H new ATOM 0 HB3 PRO A 30 2.785 0.864 1.906 1.00 23.13 H new ATOM 0 HG2 PRO A 30 3.064 1.688 -0.920 1.00 14.13 H new ATOM 0 HG3 PRO A 30 3.837 2.362 0.501 1.00 14.13 H new ATOM 0 HD2 PRO A 30 5.033 0.622 -1.440 1.00 23.23 H new ATOM 0 HD3 PRO A 30 5.768 1.201 0.042 1.00 23.23 H new ATOM 539 N VAL A 31 1.850 -2.691 0.452 1.00 35.55 N ATOM 540 CA VAL A 31 1.044 -3.640 -0.296 1.00 53.01 C ATOM 541 C VAL A 31 -0.107 -4.129 0.583 1.00 30.13 C ATOM 542 O VAL A 31 0.077 -4.376 1.775 1.00 73.51 O ATOM 543 CB VAL A 31 1.926 -4.779 -0.816 1.00 32.41 C ATOM 544 CG1 VAL A 31 2.671 -5.461 0.333 1.00 75.34 C ATOM 545 CG2 VAL A 31 1.100 -5.791 -1.612 1.00 45.11 C ATOM 0 H VAL A 31 1.780 -2.778 1.466 1.00 35.55 H new ATOM 0 HA VAL A 31 0.604 -3.162 -1.171 1.00 53.01 H new ATOM 0 HB VAL A 31 2.668 -4.350 -1.489 1.00 32.41 H new ATOM 0 HG11 VAL A 31 3.290 -6.266 -0.062 1.00 75.34 H new ATOM 0 HG12 VAL A 31 3.303 -4.732 0.840 1.00 75.34 H new ATOM 0 HG13 VAL A 31 1.951 -5.871 1.041 1.00 75.34 H new ATOM 0 HG21 VAL A 31 1.750 -6.590 -1.970 1.00 45.11 H new ATOM 0 HG22 VAL A 31 0.326 -6.213 -0.971 1.00 45.11 H new ATOM 0 HG23 VAL A 31 0.635 -5.293 -2.463 1.00 45.11 H new ATOM 555 N ILE A 32 -1.271 -4.255 -0.038 1.00 65.24 N ATOM 556 CA ILE A 32 -2.454 -4.711 0.673 1.00 51.12 C ATOM 557 C ILE A 32 -2.683 -6.193 0.377 1.00 43.11 C ATOM 558 O ILE A 32 -2.924 -6.571 -0.768 1.00 14.33 O ATOM 559 CB ILE A 32 -3.655 -3.824 0.340 1.00 11.34 C ATOM 560 CG1 ILE A 32 -3.371 -2.361 0.686 1.00 25.11 C ATOM 561 CG2 ILE A 32 -4.924 -4.340 1.020 1.00 63.41 C ATOM 562 CD1 ILE A 32 -2.657 -2.248 2.035 1.00 50.14 C ATOM 0 H ILE A 32 -1.420 -4.049 -1.026 1.00 65.24 H new ATOM 0 HA ILE A 32 -2.309 -4.620 1.750 1.00 51.12 H new ATOM 0 HB ILE A 32 -3.826 -3.871 -0.736 1.00 11.34 H new ATOM 0 HG12 ILE A 32 -2.757 -1.911 -0.094 1.00 25.11 H new ATOM 0 HG13 ILE A 32 -4.306 -1.802 0.717 1.00 25.11 H new ATOM 0 HG21 ILE A 32 -5.762 -3.691 0.766 1.00 63.41 H new ATOM 0 HG22 ILE A 32 -5.133 -5.354 0.678 1.00 63.41 H new ATOM 0 HG23 ILE A 32 -4.782 -4.344 2.101 1.00 63.41 H new ATOM 0 HD11 ILE A 32 -2.466 -1.198 2.259 1.00 50.14 H new ATOM 0 HD12 ILE A 32 -3.285 -2.677 2.816 1.00 50.14 H new ATOM 0 HD13 ILE A 32 -1.711 -2.788 1.992 1.00 50.14 H new ATOM 574 N CYS A 33 -2.597 -6.994 1.429 1.00 2.21 N ATOM 575 CA CYS A 33 -2.791 -8.429 1.296 1.00 35.42 C ATOM 576 C CYS A 33 -4.220 -8.762 1.731 1.00 3.32 C ATOM 577 O CYS A 33 -4.661 -8.340 2.799 1.00 43.20 O ATOM 578 CB CYS A 33 -1.752 -9.218 2.094 1.00 33.30 C ATOM 579 SG CYS A 33 -1.232 -10.699 1.154 1.00 13.01 S ATOM 0 H CYS A 33 -2.396 -6.677 2.377 1.00 2.21 H new ATOM 0 HA CYS A 33 -2.651 -8.723 0.256 1.00 35.42 H new ATOM 0 HB2 CYS A 33 -0.887 -8.588 2.303 1.00 33.30 H new ATOM 0 HB3 CYS A 33 -2.170 -9.516 3.056 1.00 33.30 H new ATOM 0 HG CYS A 33 0.059 -10.830 1.230 1.00 13.01 H new ATOM 585 N GLU A 34 -4.902 -9.517 0.883 1.00 15.11 N ATOM 586 CA GLU A 34 -6.272 -9.913 1.167 1.00 60.01 C ATOM 587 C GLU A 34 -6.421 -11.430 1.045 1.00 42.00 C ATOM 588 O GLU A 34 -5.545 -12.103 0.506 1.00 21.50 O ATOM 589 CB GLU A 34 -7.254 -9.188 0.244 1.00 74.13 C ATOM 590 CG GLU A 34 -7.338 -9.881 -1.117 1.00 21.12 C ATOM 591 CD GLU A 34 -8.382 -9.208 -2.012 1.00 33.02 C ATOM 592 OE1 GLU A 34 -8.158 -8.087 -2.490 1.00 61.31 O ATOM 593 OE2 GLU A 34 -9.457 -9.894 -2.205 1.00 64.42 O ATOM 0 H GLU A 34 -4.532 -9.865 -0.001 1.00 15.11 H new ATOM 0 HA GLU A 34 -6.509 -9.626 2.192 1.00 60.01 H new ATOM 0 HB2 GLU A 34 -8.241 -9.163 0.705 1.00 74.13 H new ATOM 0 HB3 GLU A 34 -6.938 -8.153 0.111 1.00 74.13 H new ATOM 0 HG2 GLU A 34 -6.363 -9.853 -1.604 1.00 21.12 H new ATOM 0 HG3 GLU A 34 -7.595 -10.931 -0.979 1.00 21.12 H new ATOM 601 N LYS A 35 -7.539 -11.925 1.558 1.00 12.15 N ATOM 602 CA LYS A 35 -7.814 -13.351 1.515 1.00 74.11 C ATOM 603 C LYS A 35 -8.918 -13.621 0.489 1.00 65.13 C ATOM 604 O LYS A 35 -10.102 -13.480 0.794 1.00 52.34 O ATOM 605 CB LYS A 35 -8.134 -13.877 2.915 1.00 54.43 C ATOM 606 CG LYS A 35 -7.817 -15.371 3.024 1.00 11.23 C ATOM 607 CD LYS A 35 -8.939 -16.215 2.416 1.00 11.40 C ATOM 608 CE LYS A 35 -10.033 -16.498 3.448 1.00 71.14 C ATOM 609 NZ LYS A 35 -11.020 -15.396 3.473 1.00 23.43 N ATOM 0 H LYS A 35 -8.264 -11.364 2.005 1.00 12.15 H new ATOM 0 HA LYS A 35 -6.931 -13.900 1.188 1.00 74.11 H new ATOM 0 HB2 LYS A 35 -7.557 -13.324 3.656 1.00 54.43 H new ATOM 0 HB3 LYS A 35 -9.187 -13.707 3.139 1.00 54.43 H new ATOM 0 HG2 LYS A 35 -6.878 -15.585 2.513 1.00 11.23 H new ATOM 0 HG3 LYS A 35 -7.680 -15.642 4.071 1.00 11.23 H new ATOM 0 HD2 LYS A 35 -9.368 -15.694 1.560 1.00 11.40 H new ATOM 0 HD3 LYS A 35 -8.531 -17.156 2.045 1.00 11.40 H new ATOM 0 HE2 LYS A 35 -10.533 -17.436 3.208 1.00 71.14 H new ATOM 0 HE3 LYS A 35 -9.587 -16.617 4.436 1.00 71.14 H new ATOM 0 HZ1 LYS A 35 -11.888 -15.718 3.947 1.00 23.43 H new ATOM 0 HZ2 LYS A 35 -10.623 -14.586 3.990 1.00 23.43 H new ATOM 0 HZ3 LYS A 35 -11.244 -15.109 2.499 1.00 23.43 H new ATOM 623 N ALA A 36 -8.493 -14.004 -0.705 1.00 44.15 N ATOM 624 CA ALA A 36 -9.429 -14.296 -1.776 1.00 42.21 C ATOM 625 C ALA A 36 -10.649 -15.016 -1.199 1.00 35.03 C ATOM 626 O ALA A 36 -10.516 -15.849 -0.303 1.00 61.54 O ATOM 627 CB ALA A 36 -8.727 -15.114 -2.860 1.00 55.13 C ATOM 0 H ALA A 36 -7.511 -14.119 -0.955 1.00 44.15 H new ATOM 0 HA ALA A 36 -9.780 -13.374 -2.241 1.00 42.21 H new ATOM 0 HB1 ALA A 36 -9.430 -15.333 -3.663 1.00 55.13 H new ATOM 0 HB2 ALA A 36 -7.887 -14.545 -3.258 1.00 55.13 H new ATOM 0 HB3 ALA A 36 -8.363 -16.048 -2.432 1.00 55.13 H new ATOM 633 N GLU A 37 -11.809 -14.674 -1.738 1.00 33.15 N ATOM 634 CA GLU A 37 -13.052 -15.279 -1.287 1.00 72.10 C ATOM 635 C GLU A 37 -13.092 -16.758 -1.675 1.00 21.01 C ATOM 636 O GLU A 37 -13.317 -17.621 -0.827 1.00 64.00 O ATOM 637 CB GLU A 37 -14.262 -14.531 -1.851 1.00 2.12 C ATOM 638 CG GLU A 37 -14.289 -14.604 -3.378 1.00 54.13 C ATOM 639 CD GLU A 37 -15.264 -13.579 -3.959 1.00 3.31 C ATOM 640 OE1 GLU A 37 -16.235 -13.957 -4.631 1.00 60.30 O ATOM 641 OE2 GLU A 37 -14.987 -12.348 -3.689 1.00 23.54 O ATOM 0 H GLU A 37 -11.916 -13.986 -2.483 1.00 33.15 H new ATOM 0 HA GLU A 37 -13.096 -15.207 -0.200 1.00 72.10 H new ATOM 0 HB2 GLU A 37 -15.179 -14.959 -1.447 1.00 2.12 H new ATOM 0 HB3 GLU A 37 -14.230 -13.489 -1.534 1.00 2.12 H new ATOM 0 HG2 GLU A 37 -13.289 -14.424 -3.772 1.00 54.13 H new ATOM 0 HG3 GLU A 37 -14.579 -15.606 -3.693 1.00 54.13 H new ATOM 649 N LYS A 38 -12.871 -17.007 -2.958 1.00 32.50 N ATOM 650 CA LYS A 38 -12.880 -18.367 -3.468 1.00 70.13 C ATOM 651 C LYS A 38 -12.040 -19.257 -2.550 1.00 34.33 C ATOM 652 O LYS A 38 -12.255 -20.468 -2.485 1.00 61.34 O ATOM 653 CB LYS A 38 -12.430 -18.395 -4.930 1.00 31.21 C ATOM 654 CG LYS A 38 -13.364 -17.555 -5.806 1.00 30.31 C ATOM 655 CD LYS A 38 -12.938 -17.615 -7.275 1.00 62.11 C ATOM 656 CE LYS A 38 -13.496 -16.425 -8.055 1.00 24.23 C ATOM 657 NZ LYS A 38 -13.234 -15.160 -7.333 1.00 2.33 N ATOM 0 H LYS A 38 -12.685 -16.290 -3.659 1.00 32.50 H new ATOM 0 HA LYS A 38 -13.893 -18.768 -3.463 1.00 70.13 H new ATOM 0 HB2 LYS A 38 -11.412 -18.015 -5.008 1.00 31.21 H new ATOM 0 HB3 LYS A 38 -12.415 -19.424 -5.290 1.00 31.21 H new ATOM 0 HG2 LYS A 38 -14.387 -17.917 -5.705 1.00 30.31 H new ATOM 0 HG3 LYS A 38 -13.357 -16.520 -5.463 1.00 30.31 H new ATOM 0 HD2 LYS A 38 -11.850 -17.621 -7.342 1.00 62.11 H new ATOM 0 HD3 LYS A 38 -13.290 -18.545 -7.722 1.00 62.11 H new ATOM 0 HE2 LYS A 38 -13.041 -16.386 -9.045 1.00 24.23 H new ATOM 0 HE3 LYS A 38 -14.569 -16.551 -8.202 1.00 24.23 H new ATOM 0 HZ1 LYS A 38 -13.183 -14.376 -8.014 1.00 2.33 H new ATOM 0 HZ2 LYS A 38 -14.003 -14.981 -6.656 1.00 2.33 H new ATOM 0 HZ3 LYS A 38 -12.332 -15.233 -6.821 1.00 2.33 H new ATOM 671 N SER A 39 -11.100 -18.624 -1.863 1.00 31.52 N ATOM 672 CA SER A 39 -10.227 -19.345 -0.951 1.00 23.13 C ATOM 673 C SER A 39 -11.056 -20.029 0.137 1.00 61.22 C ATOM 674 O SER A 39 -12.177 -19.612 0.423 1.00 52.33 O ATOM 675 CB SER A 39 -9.196 -18.406 -0.321 1.00 23.31 C ATOM 676 OG SER A 39 -8.036 -19.107 0.121 1.00 4.43 O ATOM 0 H SER A 39 -10.924 -17.621 -1.919 1.00 31.52 H new ATOM 0 HA SER A 39 -9.690 -20.104 -1.519 1.00 23.13 H new ATOM 0 HB2 SER A 39 -8.906 -17.646 -1.047 1.00 23.31 H new ATOM 0 HB3 SER A 39 -9.648 -17.885 0.523 1.00 23.31 H new ATOM 0 HG SER A 39 -7.474 -19.329 -0.651 1.00 4.43 H new ATOM 682 N ASP A 40 -10.473 -21.070 0.714 1.00 65.12 N ATOM 683 CA ASP A 40 -11.143 -21.817 1.763 1.00 2.54 C ATOM 684 C ASP A 40 -10.356 -21.675 3.068 1.00 55.42 C ATOM 685 O ASP A 40 -10.748 -22.222 4.097 1.00 54.00 O ATOM 686 CB ASP A 40 -11.221 -23.305 1.418 1.00 11.34 C ATOM 687 CG ASP A 40 -12.453 -24.032 1.960 1.00 55.40 C ATOM 688 OD1 ASP A 40 -13.529 -23.436 2.118 1.00 20.22 O ATOM 689 OD2 ASP A 40 -12.274 -25.281 2.232 1.00 14.32 O ATOM 0 H ASP A 40 -9.543 -21.413 0.474 1.00 65.12 H new ATOM 0 HA ASP A 40 -12.152 -21.418 1.867 1.00 2.54 H new ATOM 0 HB2 ASP A 40 -11.203 -23.412 0.333 1.00 11.34 H new ATOM 0 HB3 ASP A 40 -10.328 -23.799 1.802 1.00 11.34 H new ATOM 695 N ILE A 41 -9.258 -20.939 2.981 1.00 65.22 N ATOM 696 CA ILE A 41 -8.411 -20.718 4.141 1.00 75.43 C ATOM 697 C ILE A 41 -9.052 -19.658 5.041 1.00 34.44 C ATOM 698 O ILE A 41 -10.022 -19.011 4.649 1.00 24.44 O ATOM 699 CB ILE A 41 -6.985 -20.374 3.706 1.00 1.44 C ATOM 700 CG1 ILE A 41 -6.775 -18.859 3.665 1.00 4.10 C ATOM 701 CG2 ILE A 41 -6.645 -21.036 2.370 1.00 21.52 C ATOM 702 CD1 ILE A 41 -5.676 -18.485 2.667 1.00 2.30 C ATOM 0 H ILE A 41 -8.935 -20.488 2.125 1.00 65.22 H new ATOM 0 HA ILE A 41 -8.328 -21.631 4.731 1.00 75.43 H new ATOM 0 HB ILE A 41 -6.295 -20.775 4.449 1.00 1.44 H new ATOM 0 HG12 ILE A 41 -7.707 -18.366 3.387 1.00 4.10 H new ATOM 0 HG13 ILE A 41 -6.508 -18.498 4.658 1.00 4.10 H new ATOM 0 HG21 ILE A 41 -5.626 -20.775 2.084 1.00 21.52 H new ATOM 0 HG22 ILE A 41 -6.729 -22.118 2.469 1.00 21.52 H new ATOM 0 HG23 ILE A 41 -7.338 -20.687 1.604 1.00 21.52 H new ATOM 0 HD11 ILE A 41 -5.547 -17.403 2.657 1.00 2.30 H new ATOM 0 HD12 ILE A 41 -4.740 -18.960 2.962 1.00 2.30 H new ATOM 0 HD13 ILE A 41 -5.958 -18.826 1.671 1.00 2.30 H new ATOM 714 N PRO A 42 -8.468 -19.512 6.261 1.00 50.44 N ATOM 715 CA PRO A 42 -8.972 -18.543 7.220 1.00 24.42 C ATOM 716 C PRO A 42 -8.575 -17.121 6.820 1.00 24.50 C ATOM 717 O PRO A 42 -7.405 -16.850 6.550 1.00 43.12 O ATOM 718 CB PRO A 42 -8.386 -18.971 8.555 1.00 64.40 C ATOM 719 CG PRO A 42 -7.212 -19.878 8.224 1.00 30.21 C ATOM 720 CD PRO A 42 -7.318 -20.262 6.758 1.00 32.44 C ATOM 0 HA PRO A 42 -10.061 -18.522 7.267 1.00 24.42 H new ATOM 0 HB2 PRO A 42 -8.060 -18.107 9.134 1.00 64.40 H new ATOM 0 HB3 PRO A 42 -9.128 -19.496 9.157 1.00 64.40 H new ATOM 0 HG2 PRO A 42 -6.269 -19.367 8.417 1.00 30.21 H new ATOM 0 HG3 PRO A 42 -7.228 -20.768 8.854 1.00 30.21 H new ATOM 0 HD2 PRO A 42 -6.410 -20.002 6.214 1.00 32.44 H new ATOM 0 HD3 PRO A 42 -7.464 -21.336 6.639 1.00 32.44 H new ATOM 728 N GLU A 43 -9.571 -16.248 6.795 1.00 42.44 N ATOM 729 CA GLU A 43 -9.342 -14.859 6.434 1.00 50.22 C ATOM 730 C GLU A 43 -8.311 -14.230 7.373 1.00 11.31 C ATOM 731 O GLU A 43 -7.991 -14.796 8.417 1.00 21.42 O ATOM 732 CB GLU A 43 -10.650 -14.065 6.444 1.00 1.13 C ATOM 733 CG GLU A 43 -10.496 -12.745 5.687 1.00 32.10 C ATOM 734 CD GLU A 43 -11.850 -12.249 5.171 1.00 74.43 C ATOM 735 OE1 GLU A 43 -12.252 -12.598 4.053 1.00 70.25 O ATOM 736 OE2 GLU A 43 -12.489 -11.475 5.980 1.00 12.44 O ATOM 0 H GLU A 43 -10.540 -16.476 7.019 1.00 42.44 H new ATOM 0 HA GLU A 43 -8.946 -14.829 5.419 1.00 50.22 H new ATOM 0 HB2 GLU A 43 -11.443 -14.659 5.989 1.00 1.13 H new ATOM 0 HB3 GLU A 43 -10.951 -13.866 7.473 1.00 1.13 H new ATOM 0 HG2 GLU A 43 -10.055 -11.994 6.343 1.00 32.10 H new ATOM 0 HG3 GLU A 43 -9.810 -12.879 4.850 1.00 32.10 H new ATOM 744 N ILE A 44 -7.820 -13.068 6.968 1.00 60.22 N ATOM 745 CA ILE A 44 -6.831 -12.356 7.761 1.00 23.32 C ATOM 746 C ILE A 44 -7.536 -11.303 8.618 1.00 4.52 C ATOM 747 O ILE A 44 -8.711 -11.006 8.405 1.00 3.42 O ATOM 748 CB ILE A 44 -5.736 -11.782 6.861 1.00 42.45 C ATOM 749 CG1 ILE A 44 -4.677 -11.047 7.686 1.00 43.41 C ATOM 750 CG2 ILE A 44 -6.332 -10.892 5.769 1.00 73.53 C ATOM 751 CD1 ILE A 44 -3.435 -10.751 6.845 1.00 33.21 C ATOM 0 H ILE A 44 -8.088 -12.602 6.101 1.00 60.22 H new ATOM 0 HA ILE A 44 -6.325 -13.039 8.444 1.00 23.32 H new ATOM 0 HB ILE A 44 -5.236 -12.612 6.361 1.00 42.45 H new ATOM 0 HG12 ILE A 44 -5.092 -10.115 8.069 1.00 43.41 H new ATOM 0 HG13 ILE A 44 -4.400 -11.651 8.550 1.00 43.41 H new ATOM 0 HG21 ILE A 44 -5.531 -10.497 5.144 1.00 73.53 H new ATOM 0 HG22 ILE A 44 -7.016 -11.478 5.155 1.00 73.53 H new ATOM 0 HG23 ILE A 44 -6.874 -10.066 6.229 1.00 73.53 H new ATOM 0 HD11 ILE A 44 -2.698 -10.228 7.455 1.00 33.21 H new ATOM 0 HD12 ILE A 44 -3.009 -11.687 6.484 1.00 33.21 H new ATOM 0 HD13 ILE A 44 -3.711 -10.126 5.995 1.00 33.21 H new ATOM 763 N ASP A 45 -6.789 -10.767 9.573 1.00 33.03 N ATOM 764 CA ASP A 45 -7.326 -9.753 10.463 1.00 71.14 C ATOM 765 C ASP A 45 -7.562 -8.462 9.677 1.00 0.43 C ATOM 766 O ASP A 45 -8.653 -7.895 9.722 1.00 74.13 O ATOM 767 CB ASP A 45 -6.348 -9.443 11.599 1.00 41.02 C ATOM 768 CG ASP A 45 -6.982 -8.828 12.848 1.00 61.43 C ATOM 769 OD1 ASP A 45 -7.788 -7.890 12.760 1.00 63.25 O ATOM 770 OD2 ASP A 45 -6.612 -9.358 13.965 1.00 2.34 O ATOM 0 H ASP A 45 -5.816 -11.017 9.749 1.00 33.03 H new ATOM 0 HA ASP A 45 -8.258 -10.133 10.882 1.00 71.14 H new ATOM 0 HB2 ASP A 45 -5.841 -10.365 11.884 1.00 41.02 H new ATOM 0 HB3 ASP A 45 -5.584 -8.762 11.225 1.00 41.02 H new ATOM 776 N LYS A 46 -6.523 -8.035 8.977 1.00 54.04 N ATOM 777 CA LYS A 46 -6.602 -6.821 8.182 1.00 51.14 C ATOM 778 C LYS A 46 -5.775 -6.995 6.907 1.00 4.32 C ATOM 779 O LYS A 46 -5.131 -8.027 6.717 1.00 25.51 O ATOM 780 CB LYS A 46 -6.198 -5.606 9.017 1.00 35.22 C ATOM 781 CG LYS A 46 -5.209 -6.002 10.117 1.00 72.31 C ATOM 782 CD LYS A 46 -3.893 -6.501 9.518 1.00 10.44 C ATOM 783 CE LYS A 46 -2.936 -6.974 10.614 1.00 5.34 C ATOM 784 NZ LYS A 46 -3.694 -7.509 11.767 1.00 3.44 N ATOM 0 H LYS A 46 -5.620 -8.508 8.943 1.00 54.04 H new ATOM 0 HA LYS A 46 -7.630 -6.636 7.871 1.00 51.14 H new ATOM 0 HB2 LYS A 46 -5.748 -4.851 8.373 1.00 35.22 H new ATOM 0 HB3 LYS A 46 -7.084 -5.156 9.464 1.00 35.22 H new ATOM 0 HG2 LYS A 46 -5.017 -5.146 10.763 1.00 72.31 H new ATOM 0 HG3 LYS A 46 -5.647 -6.781 10.741 1.00 72.31 H new ATOM 0 HD2 LYS A 46 -4.092 -7.319 8.826 1.00 10.44 H new ATOM 0 HD3 LYS A 46 -3.426 -5.702 8.942 1.00 10.44 H new ATOM 0 HE2 LYS A 46 -2.272 -7.743 10.219 1.00 5.34 H new ATOM 0 HE3 LYS A 46 -2.306 -6.145 10.938 1.00 5.34 H new ATOM 0 HZ1 LYS A 46 -3.046 -7.668 12.565 1.00 3.44 H new ATOM 0 HZ2 LYS A 46 -4.428 -6.827 12.047 1.00 3.44 H new ATOM 0 HZ3 LYS A 46 -4.142 -8.409 11.501 1.00 3.44 H new ATOM 798 N ARG A 47 -5.818 -5.972 6.067 1.00 22.33 N ATOM 799 CA ARG A 47 -5.080 -5.999 4.816 1.00 73.31 C ATOM 800 C ARG A 47 -4.154 -4.785 4.720 1.00 10.15 C ATOM 801 O ARG A 47 -4.565 -3.721 4.257 1.00 4.24 O ATOM 802 CB ARG A 47 -6.029 -6.005 3.616 1.00 1.04 C ATOM 803 CG ARG A 47 -6.998 -4.821 3.678 1.00 52.44 C ATOM 804 CD ARG A 47 -8.236 -5.081 2.818 1.00 32.42 C ATOM 805 NE ARG A 47 -8.723 -6.462 3.034 1.00 24.35 N ATOM 806 CZ ARG A 47 -9.245 -7.240 2.064 1.00 51.53 C ATOM 807 NH1 ARG A 47 -9.354 -6.779 0.800 1.00 63.21 N ATOM 808 NH2 ARG A 47 -9.649 -8.460 2.370 1.00 1.01 N ATOM 0 H ARG A 47 -6.353 -5.119 6.228 1.00 22.33 H new ATOM 0 HA ARG A 47 -4.488 -6.914 4.800 1.00 73.31 H new ATOM 0 HB2 ARG A 47 -5.453 -5.960 2.692 1.00 1.04 H new ATOM 0 HB3 ARG A 47 -6.591 -6.939 3.597 1.00 1.04 H new ATOM 0 HG2 ARG A 47 -7.299 -4.646 4.711 1.00 52.44 H new ATOM 0 HG3 ARG A 47 -6.496 -3.917 3.335 1.00 52.44 H new ATOM 0 HD2 ARG A 47 -9.020 -4.367 3.070 1.00 32.42 H new ATOM 0 HD3 ARG A 47 -7.995 -4.932 1.765 1.00 32.42 H new ATOM 0 HE ARG A 47 -8.660 -6.849 3.975 1.00 24.35 H new ATOM 0 HH11 ARG A 47 -9.040 -5.835 0.572 1.00 63.21 H new ATOM 0 HH12 ARG A 47 -9.750 -7.374 0.072 1.00 63.21 H new ATOM 0 HH21 ARG A 47 -9.564 -8.800 3.328 1.00 1.01 H new ATOM 0 HH22 ARG A 47 -10.046 -9.062 1.648 1.00 1.01 H new ATOM 822 N LYS A 48 -2.921 -4.983 5.163 1.00 32.22 N ATOM 823 CA LYS A 48 -1.934 -3.918 5.133 1.00 13.13 C ATOM 824 C LYS A 48 -0.548 -4.505 5.409 1.00 65.41 C ATOM 825 O LYS A 48 -0.290 -5.009 6.499 1.00 32.21 O ATOM 826 CB LYS A 48 -2.329 -2.795 6.093 1.00 2.52 C ATOM 827 CG LYS A 48 -1.990 -1.424 5.503 1.00 31.03 C ATOM 828 CD LYS A 48 -0.488 -1.293 5.249 1.00 5.15 C ATOM 829 CE LYS A 48 -0.186 -0.089 4.353 1.00 62.34 C ATOM 830 NZ LYS A 48 1.276 0.100 4.214 1.00 61.43 N ATOM 0 H LYS A 48 -2.583 -5.866 5.545 1.00 32.22 H new ATOM 0 HA LYS A 48 -1.896 -3.461 4.144 1.00 13.13 H new ATOM 0 HB2 LYS A 48 -3.397 -2.850 6.303 1.00 2.52 H new ATOM 0 HB3 LYS A 48 -1.810 -2.924 7.043 1.00 2.52 H new ATOM 0 HG2 LYS A 48 -2.534 -1.281 4.569 1.00 31.03 H new ATOM 0 HG3 LYS A 48 -2.317 -0.639 6.186 1.00 31.03 H new ATOM 0 HD2 LYS A 48 0.037 -1.185 6.198 1.00 5.15 H new ATOM 0 HD3 LYS A 48 -0.114 -2.203 4.780 1.00 5.15 H new ATOM 0 HE2 LYS A 48 -0.634 -0.238 3.371 1.00 62.34 H new ATOM 0 HE3 LYS A 48 -0.636 0.809 4.776 1.00 62.34 H new ATOM 0 HZ1 LYS A 48 1.464 0.986 3.703 1.00 61.43 H new ATOM 0 HZ2 LYS A 48 1.712 0.144 5.157 1.00 61.43 H new ATOM 0 HZ3 LYS A 48 1.680 -0.698 3.683 1.00 61.43 H new ATOM 844 N TYR A 49 0.307 -4.418 4.400 1.00 55.14 N ATOM 845 CA TYR A 49 1.660 -4.935 4.521 1.00 61.12 C ATOM 846 C TYR A 49 2.668 -3.987 3.869 1.00 45.23 C ATOM 847 O TYR A 49 2.630 -3.771 2.658 1.00 72.34 O ATOM 848 CB TYR A 49 1.671 -6.267 3.769 1.00 0.44 C ATOM 849 CG TYR A 49 1.019 -7.420 4.535 1.00 32.21 C ATOM 850 CD1 TYR A 49 1.779 -8.204 5.380 1.00 44.50 C ATOM 851 CD2 TYR A 49 -0.328 -7.675 4.383 1.00 4.35 C ATOM 852 CE1 TYR A 49 1.166 -9.289 6.102 1.00 10.22 C ATOM 853 CE2 TYR A 49 -0.941 -8.759 5.105 1.00 40.03 C ATOM 854 CZ TYR A 49 -0.164 -9.514 5.928 1.00 11.31 C ATOM 855 OH TYR A 49 -0.743 -10.537 6.610 1.00 30.03 O ATOM 0 H TYR A 49 0.089 -3.998 3.496 1.00 55.14 H new ATOM 0 HA TYR A 49 1.937 -5.045 5.569 1.00 61.12 H new ATOM 0 HB2 TYR A 49 1.155 -6.139 2.817 1.00 0.44 H new ATOM 0 HB3 TYR A 49 2.702 -6.534 3.539 1.00 0.44 H new ATOM 0 HD1 TYR A 49 2.833 -8.004 5.500 1.00 44.50 H new ATOM 0 HD2 TYR A 49 -0.923 -7.061 3.722 1.00 4.35 H new ATOM 0 HE1 TYR A 49 1.749 -9.910 6.766 1.00 10.22 H new ATOM 0 HE2 TYR A 49 -1.995 -8.968 4.996 1.00 40.03 H new ATOM 0 HH TYR A 49 -0.065 -11.210 6.827 1.00 30.03 H new ATOM 865 N LEU A 50 3.546 -3.445 4.700 1.00 74.33 N ATOM 866 CA LEU A 50 4.563 -2.524 4.220 1.00 43.30 C ATOM 867 C LEU A 50 5.921 -3.230 4.215 1.00 30.44 C ATOM 868 O LEU A 50 6.757 -2.981 5.083 1.00 14.21 O ATOM 869 CB LEU A 50 4.544 -1.232 5.037 1.00 73.54 C ATOM 870 CG LEU A 50 5.494 -0.128 4.566 1.00 22.24 C ATOM 871 CD1 LEU A 50 5.443 0.028 3.045 1.00 24.21 C ATOM 872 CD2 LEU A 50 5.203 1.190 5.288 1.00 4.24 C ATOM 0 H LEU A 50 3.574 -3.626 5.703 1.00 74.33 H new ATOM 0 HA LEU A 50 4.354 -2.226 3.193 1.00 43.30 H new ATOM 0 HB2 LEU A 50 3.528 -0.837 5.032 1.00 73.54 H new ATOM 0 HB3 LEU A 50 4.786 -1.476 6.071 1.00 73.54 H new ATOM 0 HG LEU A 50 6.512 -0.420 4.825 1.00 22.24 H new ATOM 0 HD11 LEU A 50 6.127 0.819 2.737 1.00 24.21 H new ATOM 0 HD12 LEU A 50 5.736 -0.910 2.573 1.00 24.21 H new ATOM 0 HD13 LEU A 50 4.429 0.286 2.740 1.00 24.21 H new ATOM 0 HD21 LEU A 50 5.892 1.958 4.935 1.00 4.24 H new ATOM 0 HD22 LEU A 50 4.178 1.499 5.082 1.00 4.24 H new ATOM 0 HD23 LEU A 50 5.332 1.053 6.362 1.00 4.24 H new ATOM 884 N VAL A 51 6.099 -4.095 3.229 1.00 34.04 N ATOM 885 CA VAL A 51 7.342 -4.838 3.099 1.00 63.40 C ATOM 886 C VAL A 51 8.431 -3.911 2.559 1.00 40.31 C ATOM 887 O VAL A 51 8.134 -2.910 1.908 1.00 53.13 O ATOM 888 CB VAL A 51 7.124 -6.076 2.226 1.00 5.34 C ATOM 889 CG1 VAL A 51 6.086 -7.011 2.851 1.00 22.24 C ATOM 890 CG2 VAL A 51 6.721 -5.680 0.804 1.00 42.33 C ATOM 0 H VAL A 51 5.403 -4.299 2.511 1.00 34.04 H new ATOM 0 HA VAL A 51 7.675 -5.198 4.073 1.00 63.40 H new ATOM 0 HB VAL A 51 8.069 -6.616 2.168 1.00 5.34 H new ATOM 0 HG11 VAL A 51 5.950 -7.883 2.211 1.00 22.24 H new ATOM 0 HG12 VAL A 51 6.431 -7.333 3.834 1.00 22.24 H new ATOM 0 HG13 VAL A 51 5.137 -6.484 2.954 1.00 22.24 H new ATOM 0 HG21 VAL A 51 6.572 -6.578 0.205 1.00 42.33 H new ATOM 0 HG22 VAL A 51 5.794 -5.107 0.835 1.00 42.33 H new ATOM 0 HG23 VAL A 51 7.509 -5.073 0.358 1.00 42.33 H new ATOM 900 N PRO A 52 9.705 -4.285 2.856 1.00 31.35 N ATOM 901 CA PRO A 52 10.841 -3.499 2.406 1.00 52.22 C ATOM 902 C PRO A 52 11.092 -3.702 0.911 1.00 45.42 C ATOM 903 O PRO A 52 10.443 -4.531 0.276 1.00 24.12 O ATOM 904 CB PRO A 52 12.002 -3.955 3.272 1.00 72.44 C ATOM 905 CG PRO A 52 11.589 -5.300 3.849 1.00 72.05 C ATOM 906 CD PRO A 52 10.095 -5.464 3.624 1.00 62.34 C ATOM 0 HA PRO A 52 10.679 -2.426 2.513 1.00 52.22 H new ATOM 0 HB2 PRO A 52 12.915 -4.046 2.684 1.00 72.44 H new ATOM 0 HB3 PRO A 52 12.204 -3.235 4.065 1.00 72.44 H new ATOM 0 HG2 PRO A 52 12.139 -6.108 3.366 1.00 72.05 H new ATOM 0 HG3 PRO A 52 11.822 -5.347 4.913 1.00 72.05 H new ATOM 0 HD2 PRO A 52 9.875 -6.382 3.079 1.00 62.34 H new ATOM 0 HD3 PRO A 52 9.555 -5.517 4.570 1.00 62.34 H new ATOM 914 N ALA A 53 12.037 -2.931 0.392 1.00 53.20 N ATOM 915 CA ALA A 53 12.383 -3.018 -1.017 1.00 13.10 C ATOM 916 C ALA A 53 13.445 -4.100 -1.212 1.00 64.41 C ATOM 917 O ALA A 53 14.133 -4.124 -2.231 1.00 65.24 O ATOM 918 CB ALA A 53 12.849 -1.648 -1.512 1.00 72.45 C ATOM 0 H ALA A 53 12.573 -2.244 0.922 1.00 53.20 H new ATOM 0 HA ALA A 53 11.513 -3.301 -1.609 1.00 13.10 H new ATOM 0 HB1 ALA A 53 13.109 -1.712 -2.569 1.00 72.45 H new ATOM 0 HB2 ALA A 53 12.048 -0.921 -1.379 1.00 72.45 H new ATOM 0 HB3 ALA A 53 13.723 -1.333 -0.942 1.00 72.45 H new ATOM 924 N ASP A 54 13.546 -4.971 -0.218 1.00 11.31 N ATOM 925 CA ASP A 54 14.513 -6.055 -0.268 1.00 24.43 C ATOM 926 C ASP A 54 13.778 -7.394 -0.191 1.00 24.43 C ATOM 927 O ASP A 54 14.154 -8.353 -0.864 1.00 72.41 O ATOM 928 CB ASP A 54 15.483 -5.981 0.913 1.00 32.13 C ATOM 929 CG ASP A 54 16.186 -4.633 1.090 1.00 4.14 C ATOM 930 OD1 ASP A 54 17.338 -4.569 1.542 1.00 20.21 O ATOM 931 OD2 ASP A 54 15.490 -3.606 0.737 1.00 61.44 O ATOM 0 H ASP A 54 12.974 -4.948 0.626 1.00 11.31 H new ATOM 0 HA ASP A 54 15.070 -5.966 -1.201 1.00 24.43 H new ATOM 0 HB2 ASP A 54 14.936 -6.211 1.827 1.00 32.13 H new ATOM 0 HB3 ASP A 54 16.240 -6.755 0.791 1.00 32.13 H new ATOM 937 N LEU A 55 12.739 -7.417 0.632 1.00 53.33 N ATOM 938 CA LEU A 55 11.946 -8.622 0.805 1.00 33.10 C ATOM 939 C LEU A 55 11.375 -9.049 -0.548 1.00 55.22 C ATOM 940 O LEU A 55 11.102 -8.209 -1.403 1.00 73.35 O ATOM 941 CB LEU A 55 10.883 -8.415 1.884 1.00 22.25 C ATOM 942 CG LEU A 55 10.399 -9.677 2.600 1.00 42.04 C ATOM 943 CD1 LEU A 55 11.075 -9.829 3.964 1.00 33.21 C ATOM 944 CD2 LEU A 55 8.873 -9.692 2.713 1.00 41.11 C ATOM 0 H LEU A 55 12.428 -6.619 1.187 1.00 53.33 H new ATOM 0 HA LEU A 55 12.571 -9.441 1.161 1.00 33.10 H new ATOM 0 HB2 LEU A 55 11.281 -7.728 2.631 1.00 22.25 H new ATOM 0 HB3 LEU A 55 10.022 -7.927 1.428 1.00 22.25 H new ATOM 0 HG LEU A 55 10.687 -10.540 2.000 1.00 42.04 H new ATOM 0 HD11 LEU A 55 10.712 -10.734 4.451 1.00 33.21 H new ATOM 0 HD12 LEU A 55 12.155 -9.897 3.830 1.00 33.21 H new ATOM 0 HD13 LEU A 55 10.840 -8.964 4.585 1.00 33.21 H new ATOM 0 HD21 LEU A 55 8.555 -10.600 3.226 1.00 41.11 H new ATOM 0 HD22 LEU A 55 8.541 -8.821 3.278 1.00 41.11 H new ATOM 0 HD23 LEU A 55 8.434 -9.666 1.716 1.00 41.11 H new ATOM 956 N THR A 56 11.209 -10.355 -0.699 1.00 33.54 N ATOM 957 CA THR A 56 10.674 -10.903 -1.934 1.00 20.24 C ATOM 958 C THR A 56 9.235 -11.379 -1.727 1.00 22.22 C ATOM 959 O THR A 56 8.558 -10.935 -0.802 1.00 33.44 O ATOM 960 CB THR A 56 11.618 -12.011 -2.407 1.00 3.12 C ATOM 961 OG1 THR A 56 11.138 -13.181 -1.750 1.00 4.55 O ATOM 962 CG2 THR A 56 13.040 -11.839 -1.869 1.00 24.15 C ATOM 0 H THR A 56 11.435 -11.049 0.013 1.00 33.54 H new ATOM 0 HA THR A 56 10.623 -10.144 -2.714 1.00 20.24 H new ATOM 0 HB THR A 56 11.642 -12.026 -3.497 1.00 3.12 H new ATOM 0 HG1 THR A 56 11.026 -13.901 -2.405 1.00 4.55 H new ATOM 0 HG21 THR A 56 13.668 -12.651 -2.235 1.00 24.15 H new ATOM 0 HG22 THR A 56 13.445 -10.886 -2.209 1.00 24.15 H new ATOM 0 HG23 THR A 56 13.021 -11.857 -0.779 1.00 24.15 H new ATOM 970 N VAL A 57 8.810 -12.277 -2.604 1.00 60.44 N ATOM 971 CA VAL A 57 7.463 -12.816 -2.529 1.00 24.01 C ATOM 972 C VAL A 57 7.454 -14.018 -1.581 1.00 24.23 C ATOM 973 O VAL A 57 6.529 -14.178 -0.787 1.00 23.23 O ATOM 974 CB VAL A 57 6.957 -13.158 -3.932 1.00 35.30 C ATOM 975 CG1 VAL A 57 5.900 -14.263 -3.880 1.00 34.23 C ATOM 976 CG2 VAL A 57 6.416 -11.912 -4.636 1.00 3.30 C ATOM 0 H VAL A 57 9.375 -12.645 -3.370 1.00 60.44 H new ATOM 0 HA VAL A 57 6.776 -12.074 -2.123 1.00 24.01 H new ATOM 0 HB VAL A 57 7.801 -13.531 -4.512 1.00 35.30 H new ATOM 0 HG11 VAL A 57 5.557 -14.487 -4.890 1.00 34.23 H new ATOM 0 HG12 VAL A 57 6.333 -15.160 -3.437 1.00 34.23 H new ATOM 0 HG13 VAL A 57 5.056 -13.931 -3.276 1.00 34.23 H new ATOM 0 HG21 VAL A 57 6.062 -12.181 -5.631 1.00 3.30 H new ATOM 0 HG22 VAL A 57 5.591 -11.497 -4.058 1.00 3.30 H new ATOM 0 HG23 VAL A 57 7.209 -11.169 -4.721 1.00 3.30 H new ATOM 986 N GLY A 58 8.492 -14.833 -1.698 1.00 11.12 N ATOM 987 CA GLY A 58 8.614 -16.014 -0.862 1.00 42.23 C ATOM 988 C GLY A 58 8.825 -15.630 0.604 1.00 73.23 C ATOM 989 O GLY A 58 8.455 -16.381 1.505 1.00 60.02 O ATOM 0 H GLY A 58 9.256 -14.698 -2.360 1.00 11.12 H new ATOM 0 HA2 GLY A 58 7.716 -16.624 -0.956 1.00 42.23 H new ATOM 0 HA3 GLY A 58 9.450 -16.622 -1.206 1.00 42.23 H new ATOM 993 N GLN A 59 9.416 -14.460 0.797 1.00 64.11 N ATOM 994 CA GLN A 59 9.679 -13.967 2.138 1.00 61.51 C ATOM 995 C GLN A 59 8.418 -13.332 2.726 1.00 64.21 C ATOM 996 O GLN A 59 8.257 -13.278 3.945 1.00 44.31 O ATOM 997 CB GLN A 59 10.845 -12.975 2.138 1.00 30.41 C ATOM 998 CG GLN A 59 12.186 -13.705 2.240 1.00 65.32 C ATOM 999 CD GLN A 59 13.289 -12.760 2.721 1.00 74.31 C ATOM 1000 OE1 GLN A 59 13.066 -12.234 3.922 1.00 74.53 O flip ATOM 1001 NE2 GLN A 59 14.276 -12.523 2.043 1.00 1.14 N flip ATOM 0 H GLN A 59 9.720 -13.839 0.047 1.00 64.11 H new ATOM 0 HA GLN A 59 9.963 -14.811 2.766 1.00 61.51 H new ATOM 0 HB2 GLN A 59 10.820 -12.379 1.226 1.00 30.41 H new ATOM 0 HB3 GLN A 59 10.739 -12.283 2.974 1.00 30.41 H new ATOM 0 HG2 GLN A 59 12.096 -14.545 2.929 1.00 65.32 H new ATOM 0 HG3 GLN A 59 12.454 -14.118 1.268 1.00 65.32 H new ATOM 0 HE21 GLN A 59 14.384 -12.962 1.129 1.00 1.14 H new ATOM 0 HE22 GLN A 59 14.993 -11.886 2.391 1.00 1.14 H new ATOM 1010 N PHE A 60 7.556 -12.867 1.834 1.00 0.21 N ATOM 1011 CA PHE A 60 6.315 -12.237 2.251 1.00 52.15 C ATOM 1012 C PHE A 60 5.273 -13.286 2.644 1.00 43.15 C ATOM 1013 O PHE A 60 4.574 -13.129 3.645 1.00 50.40 O ATOM 1014 CB PHE A 60 5.794 -11.441 1.053 1.00 50.40 C ATOM 1015 CG PHE A 60 4.474 -10.712 1.316 1.00 73.03 C ATOM 1016 CD1 PHE A 60 4.371 -9.852 2.364 1.00 51.21 C ATOM 1017 CD2 PHE A 60 3.405 -10.925 0.503 1.00 61.34 C ATOM 1018 CE1 PHE A 60 3.146 -9.177 2.609 1.00 1.22 C ATOM 1019 CE2 PHE A 60 2.181 -10.248 0.748 1.00 62.21 C ATOM 1020 CZ PHE A 60 2.077 -9.388 1.795 1.00 23.01 C ATOM 0 H PHE A 60 7.692 -12.914 0.824 1.00 0.21 H new ATOM 0 HA PHE A 60 6.493 -11.599 3.117 1.00 52.15 H new ATOM 0 HB2 PHE A 60 6.548 -10.711 0.759 1.00 50.40 H new ATOM 0 HB3 PHE A 60 5.661 -12.119 0.210 1.00 50.40 H new ATOM 0 HD1 PHE A 60 5.220 -9.682 3.010 1.00 51.21 H new ATOM 0 HD2 PHE A 60 3.487 -11.609 -0.329 1.00 61.34 H new ATOM 0 HE1 PHE A 60 3.063 -8.495 3.443 1.00 1.22 H new ATOM 0 HE2 PHE A 60 1.332 -10.417 0.102 1.00 62.21 H new ATOM 0 HZ PHE A 60 1.146 -8.872 1.981 1.00 23.01 H new ATOM 1030 N VAL A 61 5.201 -14.334 1.836 1.00 32.35 N ATOM 1031 CA VAL A 61 4.256 -15.408 2.086 1.00 5.44 C ATOM 1032 C VAL A 61 4.473 -15.954 3.500 1.00 71.34 C ATOM 1033 O VAL A 61 3.527 -16.387 4.154 1.00 5.54 O ATOM 1034 CB VAL A 61 4.386 -16.483 1.005 1.00 43.14 C ATOM 1035 CG1 VAL A 61 3.420 -17.641 1.262 1.00 42.22 C ATOM 1036 CG2 VAL A 61 4.169 -15.887 -0.388 1.00 73.01 C ATOM 0 H VAL A 61 5.782 -14.462 1.008 1.00 32.35 H new ATOM 0 HA VAL A 61 3.233 -15.035 2.034 1.00 5.44 H new ATOM 0 HB VAL A 61 5.401 -16.879 1.047 1.00 43.14 H new ATOM 0 HG11 VAL A 61 3.534 -18.390 0.479 1.00 42.22 H new ATOM 0 HG12 VAL A 61 3.641 -18.091 2.230 1.00 42.22 H new ATOM 0 HG13 VAL A 61 2.396 -17.268 1.261 1.00 42.22 H new ATOM 0 HG21 VAL A 61 4.267 -16.671 -1.139 1.00 73.01 H new ATOM 0 HG22 VAL A 61 3.172 -15.451 -0.446 1.00 73.01 H new ATOM 0 HG23 VAL A 61 4.914 -15.113 -0.573 1.00 73.01 H new ATOM 1046 N TYR A 62 5.725 -15.914 3.928 1.00 14.20 N ATOM 1047 CA TYR A 62 6.080 -16.399 5.251 1.00 74.54 C ATOM 1048 C TYR A 62 5.281 -15.669 6.334 1.00 34.14 C ATOM 1049 O TYR A 62 4.792 -16.293 7.275 1.00 35.32 O ATOM 1050 CB TYR A 62 7.566 -16.085 5.432 1.00 44.14 C ATOM 1051 CG TYR A 62 7.976 -15.826 6.883 1.00 45.10 C ATOM 1052 CD1 TYR A 62 7.801 -16.810 7.835 1.00 22.21 C ATOM 1053 CD2 TYR A 62 8.520 -14.609 7.240 1.00 62.34 C ATOM 1054 CE1 TYR A 62 8.187 -16.566 9.202 1.00 24.10 C ATOM 1055 CE2 TYR A 62 8.906 -14.366 8.605 1.00 24.35 C ATOM 1056 CZ TYR A 62 8.720 -15.356 9.519 1.00 2.21 C ATOM 1057 OH TYR A 62 9.084 -15.126 10.810 1.00 63.13 O ATOM 0 H TYR A 62 6.507 -15.553 3.382 1.00 14.20 H new ATOM 0 HA TYR A 62 5.865 -17.464 5.340 1.00 74.54 H new ATOM 0 HB2 TYR A 62 8.153 -16.917 5.043 1.00 44.14 H new ATOM 0 HB3 TYR A 62 7.817 -15.210 4.833 1.00 44.14 H new ATOM 0 HD1 TYR A 62 7.375 -17.762 7.556 1.00 22.21 H new ATOM 0 HD2 TYR A 62 8.656 -13.839 6.495 1.00 62.34 H new ATOM 0 HE1 TYR A 62 8.056 -17.327 9.957 1.00 24.10 H new ATOM 0 HE2 TYR A 62 9.334 -13.418 8.897 1.00 24.35 H new ATOM 0 HH TYR A 62 9.451 -14.221 10.890 1.00 63.13 H new ATOM 1067 N VAL A 63 5.176 -14.359 6.166 1.00 52.24 N ATOM 1068 CA VAL A 63 4.446 -13.540 7.116 1.00 35.03 C ATOM 1069 C VAL A 63 2.953 -13.864 7.022 1.00 4.02 C ATOM 1070 O VAL A 63 2.290 -14.050 8.041 1.00 23.34 O ATOM 1071 CB VAL A 63 4.753 -12.060 6.875 1.00 11.21 C ATOM 1072 CG1 VAL A 63 3.736 -11.166 7.588 1.00 65.32 C ATOM 1073 CG2 VAL A 63 6.180 -11.718 7.305 1.00 44.31 C ATOM 0 H VAL A 63 5.585 -13.845 5.385 1.00 52.24 H new ATOM 0 HA VAL A 63 4.763 -13.763 8.135 1.00 35.03 H new ATOM 0 HB VAL A 63 4.672 -11.872 5.804 1.00 11.21 H new ATOM 0 HG11 VAL A 63 3.977 -10.120 7.401 1.00 65.32 H new ATOM 0 HG12 VAL A 63 2.736 -11.381 7.212 1.00 65.32 H new ATOM 0 HG13 VAL A 63 3.770 -11.360 8.660 1.00 65.32 H new ATOM 0 HG21 VAL A 63 6.371 -10.661 7.123 1.00 44.31 H new ATOM 0 HG22 VAL A 63 6.301 -11.931 8.367 1.00 44.31 H new ATOM 0 HG23 VAL A 63 6.886 -12.319 6.732 1.00 44.31 H new ATOM 1083 N ILE A 64 2.470 -13.920 5.790 1.00 25.51 N ATOM 1084 CA ILE A 64 1.067 -14.219 5.550 1.00 30.30 C ATOM 1085 C ILE A 64 0.732 -15.587 6.145 1.00 3.31 C ATOM 1086 O ILE A 64 -0.375 -15.801 6.634 1.00 53.34 O ATOM 1087 CB ILE A 64 0.742 -14.099 4.060 1.00 74.05 C ATOM 1088 CG1 ILE A 64 1.271 -12.782 3.486 1.00 52.44 C ATOM 1089 CG2 ILE A 64 -0.758 -14.269 3.811 1.00 22.42 C ATOM 1090 CD1 ILE A 64 0.861 -11.598 4.363 1.00 35.01 C ATOM 0 H ILE A 64 3.024 -13.764 4.948 1.00 25.51 H new ATOM 0 HA ILE A 64 0.431 -13.490 6.051 1.00 30.30 H new ATOM 0 HB ILE A 64 1.251 -14.907 3.534 1.00 74.05 H new ATOM 0 HG12 ILE A 64 2.358 -12.824 3.411 1.00 52.44 H new ATOM 0 HG13 ILE A 64 0.887 -12.641 2.476 1.00 52.44 H new ATOM 0 HG21 ILE A 64 -0.962 -14.179 2.744 1.00 22.42 H new ATOM 0 HG22 ILE A 64 -1.076 -15.252 4.160 1.00 22.42 H new ATOM 0 HG23 ILE A 64 -1.306 -13.497 4.351 1.00 22.42 H new ATOM 0 HD11 ILE A 64 1.249 -10.675 3.933 1.00 35.01 H new ATOM 0 HD12 ILE A 64 -0.226 -11.544 4.416 1.00 35.01 H new ATOM 0 HD13 ILE A 64 1.267 -11.730 5.366 1.00 35.01 H new ATOM 1102 N ARG A 65 1.710 -16.479 6.083 1.00 63.25 N ATOM 1103 CA ARG A 65 1.534 -17.821 6.610 1.00 61.31 C ATOM 1104 C ARG A 65 1.695 -17.821 8.131 1.00 12.01 C ATOM 1105 O ARG A 65 1.469 -18.838 8.784 1.00 41.52 O ATOM 1106 CB ARG A 65 2.546 -18.791 5.996 1.00 31.34 C ATOM 1107 CG ARG A 65 2.096 -20.242 6.181 1.00 61.42 C ATOM 1108 CD ARG A 65 1.422 -20.773 4.914 1.00 12.15 C ATOM 1109 NE ARG A 65 2.395 -20.806 3.799 1.00 42.22 N ATOM 1110 CZ ARG A 65 3.190 -21.860 3.521 1.00 13.14 C ATOM 1111 NH1 ARG A 65 3.136 -22.979 4.275 1.00 33.44 N ATOM 1112 NH2 ARG A 65 4.024 -21.781 2.501 1.00 34.13 N ATOM 0 H ARG A 65 2.627 -16.298 5.675 1.00 63.25 H new ATOM 0 HA ARG A 65 0.528 -18.150 6.349 1.00 61.31 H new ATOM 0 HB2 ARG A 65 2.664 -18.575 4.934 1.00 31.34 H new ATOM 0 HB3 ARG A 65 3.521 -18.647 6.461 1.00 31.34 H new ATOM 0 HG2 ARG A 65 2.956 -20.865 6.428 1.00 61.42 H new ATOM 0 HG3 ARG A 65 1.404 -20.308 7.020 1.00 61.42 H new ATOM 0 HD2 ARG A 65 1.028 -21.773 5.094 1.00 12.15 H new ATOM 0 HD3 ARG A 65 0.575 -20.140 4.650 1.00 12.15 H new ATOM 0 HE ARG A 65 2.469 -19.981 3.204 1.00 42.22 H new ATOM 0 HH11 ARG A 65 2.490 -23.033 5.063 1.00 33.44 H new ATOM 0 HH12 ARG A 65 3.741 -23.771 4.057 1.00 33.44 H new ATOM 0 HH21 ARG A 65 4.061 -20.932 1.937 1.00 34.13 H new ATOM 0 HH22 ARG A 65 4.632 -22.569 2.277 1.00 34.13 H new ATOM 1126 N LYS A 66 2.086 -16.667 8.652 1.00 55.44 N ATOM 1127 CA LYS A 66 2.280 -16.519 10.085 1.00 1.33 C ATOM 1128 C LYS A 66 1.035 -15.878 10.700 1.00 70.51 C ATOM 1129 O LYS A 66 0.652 -16.211 11.821 1.00 24.42 O ATOM 1130 CB LYS A 66 3.573 -15.755 10.374 1.00 12.24 C ATOM 1131 CG LYS A 66 4.687 -16.707 10.818 1.00 14.13 C ATOM 1132 CD LYS A 66 5.601 -16.039 11.845 1.00 31.51 C ATOM 1133 CE LYS A 66 6.489 -17.072 12.542 1.00 71.45 C ATOM 1134 NZ LYS A 66 5.847 -17.553 13.786 1.00 62.23 N ATOM 0 H LYS A 66 2.274 -15.825 8.107 1.00 55.44 H new ATOM 0 HA LYS A 66 2.402 -17.494 10.556 1.00 1.33 H new ATOM 0 HB2 LYS A 66 3.887 -15.214 9.481 1.00 12.24 H new ATOM 0 HB3 LYS A 66 3.394 -15.012 11.151 1.00 12.24 H new ATOM 0 HG2 LYS A 66 4.250 -17.609 11.247 1.00 14.13 H new ATOM 0 HG3 LYS A 66 5.272 -17.017 9.952 1.00 14.13 H new ATOM 0 HD2 LYS A 66 6.224 -15.292 11.352 1.00 31.51 H new ATOM 0 HD3 LYS A 66 4.999 -15.513 12.586 1.00 31.51 H new ATOM 0 HE2 LYS A 66 6.673 -17.912 11.873 1.00 71.45 H new ATOM 0 HE3 LYS A 66 7.458 -16.630 12.773 1.00 71.45 H new ATOM 0 HZ1 LYS A 66 6.463 -18.253 14.246 1.00 62.23 H new ATOM 0 HZ2 LYS A 66 5.693 -16.751 14.430 1.00 62.23 H new ATOM 0 HZ3 LYS A 66 4.933 -17.993 13.557 1.00 62.23 H new ATOM 1148 N ARG A 67 0.440 -14.971 9.942 1.00 1.25 N ATOM 1149 CA ARG A 67 -0.754 -14.280 10.400 1.00 11.04 C ATOM 1150 C ARG A 67 -1.871 -15.285 10.689 1.00 10.11 C ATOM 1151 O ARG A 67 -2.606 -15.139 11.664 1.00 74.15 O ATOM 1152 CB ARG A 67 -1.241 -13.272 9.357 1.00 53.20 C ATOM 1153 CG ARG A 67 -0.749 -11.861 9.687 1.00 23.03 C ATOM 1154 CD ARG A 67 -1.867 -11.024 10.313 1.00 34.01 C ATOM 1155 NE ARG A 67 -1.719 -11.003 11.786 1.00 70.52 N ATOM 1156 CZ ARG A 67 -0.932 -10.134 12.455 1.00 73.13 C ATOM 1157 NH1 ARG A 67 -0.212 -9.206 11.788 1.00 21.20 N ATOM 1158 NH2 ARG A 67 -0.876 -10.206 13.771 1.00 2.44 N ATOM 0 H ARG A 67 0.761 -14.698 9.013 1.00 1.25 H new ATOM 0 HA ARG A 67 -0.497 -13.744 11.314 1.00 11.04 H new ATOM 0 HB2 ARG A 67 -0.884 -13.564 8.369 1.00 53.20 H new ATOM 0 HB3 ARG A 67 -2.330 -13.281 9.318 1.00 53.20 H new ATOM 0 HG2 ARG A 67 0.096 -11.918 10.373 1.00 23.03 H new ATOM 0 HG3 ARG A 67 -0.390 -11.375 8.779 1.00 23.03 H new ATOM 0 HD2 ARG A 67 -1.834 -10.007 9.921 1.00 34.01 H new ATOM 0 HD3 ARG A 67 -2.838 -11.439 10.043 1.00 34.01 H new ATOM 0 HE ARG A 67 -2.245 -11.688 12.329 1.00 70.52 H new ATOM 0 HH11 ARG A 67 -0.260 -9.158 10.770 1.00 21.20 H new ATOM 0 HH12 ARG A 67 0.380 -8.553 12.302 1.00 21.20 H new ATOM 0 HH21 ARG A 67 -1.422 -10.910 14.267 1.00 2.44 H new ATOM 0 HH22 ARG A 67 -0.287 -9.557 14.293 1.00 2.44 H new ATOM 1172 N ILE A 68 -1.964 -16.283 9.823 1.00 74.21 N ATOM 1173 CA ILE A 68 -2.980 -17.312 9.971 1.00 51.02 C ATOM 1174 C ILE A 68 -2.332 -18.586 10.517 1.00 1.12 C ATOM 1175 O ILE A 68 -2.979 -19.628 10.603 1.00 65.40 O ATOM 1176 CB ILE A 68 -3.730 -17.520 8.655 1.00 43.40 C ATOM 1177 CG1 ILE A 68 -2.792 -17.354 7.457 1.00 54.02 C ATOM 1178 CG2 ILE A 68 -4.945 -16.593 8.564 1.00 43.10 C ATOM 1179 CD1 ILE A 68 -3.502 -17.716 6.151 1.00 64.50 C ATOM 0 H ILE A 68 -1.352 -16.401 9.016 1.00 74.21 H new ATOM 0 HA ILE A 68 -3.734 -17.001 10.694 1.00 51.02 H new ATOM 0 HB ILE A 68 -4.103 -18.544 8.633 1.00 43.40 H new ATOM 0 HG12 ILE A 68 -2.437 -16.325 7.409 1.00 54.02 H new ATOM 0 HG13 ILE A 68 -1.915 -17.988 7.586 1.00 54.02 H new ATOM 0 HG21 ILE A 68 -5.461 -16.761 7.619 1.00 43.10 H new ATOM 0 HG22 ILE A 68 -5.625 -16.802 9.390 1.00 43.10 H new ATOM 0 HG23 ILE A 68 -4.616 -15.555 8.618 1.00 43.10 H new ATOM 0 HD11 ILE A 68 -2.814 -17.589 5.315 1.00 64.50 H new ATOM 0 HD12 ILE A 68 -3.835 -18.753 6.193 1.00 64.50 H new ATOM 0 HD13 ILE A 68 -4.364 -17.064 6.013 1.00 64.50 H new ATOM 1191 N MET A 69 -1.062 -18.461 10.873 1.00 12.12 N ATOM 1192 CA MET A 69 -0.319 -19.589 11.408 1.00 64.34 C ATOM 1193 C MET A 69 -0.700 -20.885 10.691 1.00 52.33 C ATOM 1194 O MET A 69 -0.886 -21.921 11.328 1.00 32.01 O ATOM 1195 CB MET A 69 -0.610 -19.728 12.904 1.00 12.53 C ATOM 1196 CG MET A 69 -2.089 -20.032 13.149 1.00 10.21 C ATOM 1197 SD MET A 69 -2.362 -20.379 14.878 1.00 12.40 S ATOM 1198 CE MET A 69 -3.992 -19.679 15.081 1.00 45.12 C ATOM 0 H MET A 69 -0.528 -17.595 10.801 1.00 12.12 H new ATOM 0 HA MET A 69 0.744 -19.408 11.251 1.00 64.34 H new ATOM 0 HB2 MET A 69 0.003 -20.525 13.325 1.00 12.53 H new ATOM 0 HB3 MET A 69 -0.334 -18.808 13.419 1.00 12.53 H new ATOM 0 HG2 MET A 69 -2.699 -19.184 12.839 1.00 10.21 H new ATOM 0 HG3 MET A 69 -2.398 -20.885 12.545 1.00 10.21 H new ATOM 0 HE1 MET A 69 -4.318 -19.810 16.113 1.00 45.12 H new ATOM 0 HE2 MET A 69 -3.964 -18.616 14.842 1.00 45.12 H new ATOM 0 HE3 MET A 69 -4.690 -20.183 14.413 1.00 45.12 H new ATOM 1208 N LEU A 70 -0.803 -20.787 9.374 1.00 62.43 N ATOM 1209 CA LEU A 70 -1.158 -21.939 8.563 1.00 10.14 C ATOM 1210 C LEU A 70 -0.207 -23.094 8.881 1.00 2.25 C ATOM 1211 O LEU A 70 0.990 -22.883 9.069 1.00 31.43 O ATOM 1212 CB LEU A 70 -1.193 -21.561 7.080 1.00 61.22 C ATOM 1213 CG LEU A 70 -2.314 -22.193 6.253 1.00 11.33 C ATOM 1214 CD1 LEU A 70 -3.656 -22.091 6.980 1.00 30.12 C ATOM 1215 CD2 LEU A 70 -2.374 -21.581 4.852 1.00 2.24 C ATOM 0 H LEU A 70 -0.647 -19.927 8.848 1.00 62.43 H new ATOM 0 HA LEU A 70 -2.165 -22.279 8.805 1.00 10.14 H new ATOM 0 HB2 LEU A 70 -1.279 -20.477 7.004 1.00 61.22 H new ATOM 0 HB3 LEU A 70 -0.238 -21.837 6.632 1.00 61.22 H new ATOM 0 HG LEU A 70 -2.093 -23.253 6.132 1.00 11.33 H new ATOM 0 HD11 LEU A 70 -4.436 -22.548 6.370 1.00 30.12 H new ATOM 0 HD12 LEU A 70 -3.592 -22.610 7.936 1.00 30.12 H new ATOM 0 HD13 LEU A 70 -3.898 -21.042 7.152 1.00 30.12 H new ATOM 0 HD21 LEU A 70 -3.179 -22.048 4.285 1.00 2.24 H new ATOM 0 HD22 LEU A 70 -2.559 -20.510 4.931 1.00 2.24 H new ATOM 0 HD23 LEU A 70 -1.426 -21.749 4.341 1.00 2.24 H new ATOM 1227 N PRO A 71 -0.790 -24.322 8.932 1.00 43.24 N ATOM 1228 CA PRO A 71 -0.008 -25.510 9.225 1.00 13.55 C ATOM 1229 C PRO A 71 0.835 -25.924 8.016 1.00 75.31 C ATOM 1230 O PRO A 71 0.661 -25.389 6.922 1.00 21.12 O ATOM 1231 CB PRO A 71 -1.026 -26.564 9.627 1.00 61.24 C ATOM 1232 CG PRO A 71 -2.364 -26.072 9.100 1.00 24.13 C ATOM 1233 CD PRO A 71 -2.205 -24.609 8.715 1.00 33.31 C ATOM 0 HA PRO A 71 0.715 -25.349 10.024 1.00 13.55 H new ATOM 0 HB2 PRO A 71 -0.772 -27.535 9.202 1.00 61.24 H new ATOM 0 HB3 PRO A 71 -1.054 -26.687 10.710 1.00 61.24 H new ATOM 0 HG2 PRO A 71 -2.675 -26.662 8.238 1.00 24.13 H new ATOM 0 HG3 PRO A 71 -3.138 -26.185 9.859 1.00 24.13 H new ATOM 0 HD2 PRO A 71 -2.489 -24.439 7.676 1.00 33.31 H new ATOM 0 HD3 PRO A 71 -2.838 -23.967 9.327 1.00 33.31 H new ATOM 1241 N PRO A 72 1.754 -26.895 8.261 1.00 11.43 N ATOM 1242 CA PRO A 72 2.624 -27.386 7.205 1.00 73.31 C ATOM 1243 C PRO A 72 1.859 -28.301 6.246 1.00 14.34 C ATOM 1244 O PRO A 72 2.424 -28.796 5.272 1.00 14.13 O ATOM 1245 CB PRO A 72 3.756 -28.097 7.927 1.00 1.11 C ATOM 1246 CG PRO A 72 3.244 -28.381 9.330 1.00 12.50 C ATOM 1247 CD PRO A 72 1.989 -27.551 9.544 1.00 2.00 C ATOM 0 HA PRO A 72 3.012 -26.587 6.574 1.00 73.31 H new ATOM 0 HB2 PRO A 72 4.026 -29.021 7.415 1.00 1.11 H new ATOM 0 HB3 PRO A 72 4.651 -27.476 7.956 1.00 1.11 H new ATOM 0 HG2 PRO A 72 3.025 -29.442 9.449 1.00 12.50 H new ATOM 0 HG3 PRO A 72 4.001 -28.127 10.072 1.00 12.50 H new ATOM 0 HD2 PRO A 72 1.144 -28.178 9.829 1.00 2.00 H new ATOM 0 HD3 PRO A 72 2.128 -26.822 10.342 1.00 2.00 H new ATOM 1255 N GLU A 73 0.586 -28.500 6.556 1.00 4.32 N ATOM 1256 CA GLU A 73 -0.261 -29.346 5.734 1.00 33.04 C ATOM 1257 C GLU A 73 -1.020 -28.502 4.708 1.00 15.04 C ATOM 1258 O GLU A 73 -1.572 -29.035 3.747 1.00 75.11 O ATOM 1259 CB GLU A 73 -1.228 -30.158 6.597 1.00 51.24 C ATOM 1260 CG GLU A 73 -2.384 -29.286 7.095 1.00 33.54 C ATOM 1261 CD GLU A 73 -3.426 -30.126 7.837 1.00 53.33 C ATOM 1262 OE1 GLU A 73 -3.100 -31.209 8.343 1.00 25.23 O ATOM 1263 OE2 GLU A 73 -4.610 -29.616 7.876 1.00 11.00 O ATOM 0 H GLU A 73 0.121 -28.089 7.366 1.00 4.32 H new ATOM 0 HA GLU A 73 0.375 -30.050 5.197 1.00 33.04 H new ATOM 0 HB2 GLU A 73 -1.621 -30.995 6.020 1.00 51.24 H new ATOM 0 HB3 GLU A 73 -0.694 -30.581 7.448 1.00 51.24 H new ATOM 0 HG2 GLU A 73 -2.000 -28.510 7.757 1.00 33.54 H new ATOM 0 HG3 GLU A 73 -2.853 -28.781 6.250 1.00 33.54 H new ATOM 1271 N LYS A 74 -1.021 -27.198 4.946 1.00 15.22 N ATOM 1272 CA LYS A 74 -1.702 -26.275 4.054 1.00 74.24 C ATOM 1273 C LYS A 74 -0.664 -25.487 3.254 1.00 4.24 C ATOM 1274 O LYS A 74 0.539 -25.693 3.417 1.00 22.52 O ATOM 1275 CB LYS A 74 -2.674 -25.392 4.838 1.00 43.43 C ATOM 1276 CG LYS A 74 -4.055 -26.044 4.930 1.00 13.23 C ATOM 1277 CD LYS A 74 -5.155 -25.059 4.529 1.00 31.31 C ATOM 1278 CE LYS A 74 -6.534 -25.581 4.937 1.00 43.12 C ATOM 1279 NZ LYS A 74 -7.600 -24.719 4.376 1.00 72.20 N ATOM 0 H LYS A 74 -0.561 -26.759 5.744 1.00 15.22 H new ATOM 0 HA LYS A 74 -2.313 -26.821 3.334 1.00 74.24 H new ATOM 0 HB2 LYS A 74 -2.283 -25.216 5.840 1.00 43.43 H new ATOM 0 HB3 LYS A 74 -2.759 -24.419 4.354 1.00 43.43 H new ATOM 0 HG2 LYS A 74 -4.092 -26.919 4.281 1.00 13.23 H new ATOM 0 HG3 LYS A 74 -4.229 -26.394 5.948 1.00 13.23 H new ATOM 0 HD2 LYS A 74 -4.973 -24.094 5.001 1.00 31.31 H new ATOM 0 HD3 LYS A 74 -5.128 -24.897 3.451 1.00 31.31 H new ATOM 0 HE2 LYS A 74 -6.662 -26.604 4.584 1.00 43.12 H new ATOM 0 HE3 LYS A 74 -6.613 -25.607 6.024 1.00 43.12 H new ATOM 0 HZ1 LYS A 74 -8.530 -25.086 4.662 1.00 72.20 H new ATOM 0 HZ2 LYS A 74 -7.486 -23.749 4.734 1.00 72.20 H new ATOM 0 HZ3 LYS A 74 -7.533 -24.715 3.338 1.00 72.20 H new ATOM 1293 N ALA A 75 -1.165 -24.599 2.407 1.00 2.43 N ATOM 1294 CA ALA A 75 -0.297 -23.779 1.581 1.00 13.52 C ATOM 1295 C ALA A 75 -0.918 -22.391 1.415 1.00 54.01 C ATOM 1296 O ALA A 75 -2.069 -22.174 1.792 1.00 43.42 O ATOM 1297 CB ALA A 75 -0.059 -24.475 0.240 1.00 3.35 C ATOM 0 H ALA A 75 -2.162 -24.430 2.276 1.00 2.43 H new ATOM 0 HA ALA A 75 0.675 -23.650 2.058 1.00 13.52 H new ATOM 0 HB1 ALA A 75 0.593 -23.859 -0.379 1.00 3.35 H new ATOM 0 HB2 ALA A 75 0.412 -25.443 0.411 1.00 3.35 H new ATOM 0 HB3 ALA A 75 -1.012 -24.620 -0.269 1.00 3.35 H new ATOM 1303 N ILE A 76 -0.130 -21.487 0.852 1.00 45.33 N ATOM 1304 CA ILE A 76 -0.589 -20.126 0.632 1.00 65.33 C ATOM 1305 C ILE A 76 0.189 -19.512 -0.532 1.00 4.31 C ATOM 1306 O ILE A 76 1.419 -19.560 -0.556 1.00 22.55 O ATOM 1307 CB ILE A 76 -0.501 -19.316 1.927 1.00 71.13 C ATOM 1308 CG1 ILE A 76 -1.707 -18.384 2.073 1.00 33.21 C ATOM 1309 CG2 ILE A 76 0.825 -18.555 2.008 1.00 65.54 C ATOM 1310 CD1 ILE A 76 -1.525 -17.436 3.260 1.00 43.42 C ATOM 0 H ILE A 76 0.824 -21.671 0.541 1.00 45.33 H new ATOM 0 HA ILE A 76 -1.642 -20.119 0.350 1.00 65.33 H new ATOM 0 HB ILE A 76 -0.526 -20.010 2.767 1.00 71.13 H new ATOM 0 HG12 ILE A 76 -1.838 -17.806 1.158 1.00 33.21 H new ATOM 0 HG13 ILE A 76 -2.613 -18.974 2.210 1.00 33.21 H new ATOM 0 HG21 ILE A 76 0.862 -17.987 2.938 1.00 65.54 H new ATOM 0 HG22 ILE A 76 1.653 -19.263 1.982 1.00 65.54 H new ATOM 0 HG23 ILE A 76 0.905 -17.872 1.162 1.00 65.54 H new ATOM 0 HD11 ILE A 76 -2.395 -16.785 3.342 1.00 43.42 H new ATOM 0 HD12 ILE A 76 -1.419 -18.017 4.176 1.00 43.42 H new ATOM 0 HD13 ILE A 76 -0.631 -16.831 3.108 1.00 43.42 H new ATOM 1322 N PHE A 77 -0.558 -18.949 -1.471 1.00 12.42 N ATOM 1323 CA PHE A 77 0.047 -18.326 -2.635 1.00 62.30 C ATOM 1324 C PHE A 77 -0.495 -16.910 -2.843 1.00 33.33 C ATOM 1325 O PHE A 77 -1.697 -16.679 -2.730 1.00 33.52 O ATOM 1326 CB PHE A 77 -0.325 -19.183 -3.846 1.00 40.44 C ATOM 1327 CG PHE A 77 0.187 -20.624 -3.769 1.00 70.23 C ATOM 1328 CD1 PHE A 77 1.477 -20.905 -4.094 1.00 4.54 C ATOM 1329 CD2 PHE A 77 -0.648 -21.621 -3.373 1.00 44.34 C ATOM 1330 CE1 PHE A 77 1.952 -22.241 -4.023 1.00 1.33 C ATOM 1331 CE2 PHE A 77 -0.172 -22.959 -3.301 1.00 41.05 C ATOM 1332 CZ PHE A 77 1.118 -23.239 -3.628 1.00 35.23 C ATOM 0 H PHE A 77 -1.577 -18.912 -1.449 1.00 12.42 H new ATOM 0 HA PHE A 77 1.127 -18.258 -2.501 1.00 62.30 H new ATOM 0 HB2 PHE A 77 -1.410 -19.199 -3.948 1.00 40.44 H new ATOM 0 HB3 PHE A 77 0.073 -18.714 -4.746 1.00 40.44 H new ATOM 0 HD1 PHE A 77 2.140 -20.112 -4.406 1.00 4.54 H new ATOM 0 HD2 PHE A 77 -1.672 -21.397 -3.113 1.00 44.34 H new ATOM 0 HE1 PHE A 77 2.976 -22.464 -4.283 1.00 1.33 H new ATOM 0 HE2 PHE A 77 -0.834 -23.752 -2.987 1.00 41.05 H new ATOM 0 HZ PHE A 77 1.480 -24.255 -3.574 1.00 35.23 H new ATOM 1342 N ILE A 78 0.419 -15.998 -3.143 1.00 3.55 N ATOM 1343 CA ILE A 78 0.049 -14.612 -3.367 1.00 70.04 C ATOM 1344 C ILE A 78 -0.350 -14.425 -4.834 1.00 63.43 C ATOM 1345 O ILE A 78 0.373 -14.846 -5.735 1.00 62.34 O ATOM 1346 CB ILE A 78 1.170 -13.676 -2.913 1.00 15.11 C ATOM 1347 CG1 ILE A 78 1.804 -14.172 -1.611 1.00 31.40 C ATOM 1348 CG2 ILE A 78 0.668 -12.236 -2.791 1.00 23.31 C ATOM 1349 CD1 ILE A 78 0.873 -13.931 -0.421 1.00 44.32 C ATOM 0 H ILE A 78 1.416 -16.193 -3.236 1.00 3.55 H new ATOM 0 HA ILE A 78 -0.819 -14.349 -2.762 1.00 70.04 H new ATOM 0 HB ILE A 78 1.949 -13.682 -3.676 1.00 15.11 H new ATOM 0 HG12 ILE A 78 2.027 -15.236 -1.693 1.00 31.40 H new ATOM 0 HG13 ILE A 78 2.752 -13.659 -1.446 1.00 31.40 H new ATOM 0 HG21 ILE A 78 1.485 -11.592 -2.467 1.00 23.31 H new ATOM 0 HG22 ILE A 78 0.300 -11.896 -3.759 1.00 23.31 H new ATOM 0 HG23 ILE A 78 -0.140 -12.193 -2.060 1.00 23.31 H new ATOM 0 HD11 ILE A 78 1.348 -14.292 0.491 1.00 44.32 H new ATOM 0 HD12 ILE A 78 0.672 -12.864 -0.327 1.00 44.32 H new ATOM 0 HD13 ILE A 78 -0.064 -14.465 -0.578 1.00 44.32 H new ATOM 1361 N PHE A 79 -1.500 -13.796 -5.025 1.00 54.23 N ATOM 1362 CA PHE A 79 -2.004 -13.549 -6.365 1.00 2.04 C ATOM 1363 C PHE A 79 -2.172 -12.050 -6.621 1.00 53.42 C ATOM 1364 O PHE A 79 -2.910 -11.374 -5.906 1.00 2.01 O ATOM 1365 CB PHE A 79 -3.371 -14.228 -6.461 1.00 31.10 C ATOM 1366 CG PHE A 79 -3.329 -15.629 -7.075 1.00 60.10 C ATOM 1367 CD1 PHE A 79 -3.004 -15.787 -8.386 1.00 2.43 C ATOM 1368 CD2 PHE A 79 -3.617 -16.715 -6.309 1.00 30.00 C ATOM 1369 CE1 PHE A 79 -2.964 -17.088 -8.954 1.00 63.12 C ATOM 1370 CE2 PHE A 79 -3.578 -18.016 -6.879 1.00 1.54 C ATOM 1371 CZ PHE A 79 -3.253 -18.174 -8.189 1.00 62.01 C ATOM 0 H PHE A 79 -2.097 -13.450 -4.274 1.00 54.23 H new ATOM 0 HA PHE A 79 -1.304 -13.939 -7.103 1.00 2.04 H new ATOM 0 HB2 PHE A 79 -3.804 -14.293 -5.463 1.00 31.10 H new ATOM 0 HB3 PHE A 79 -4.035 -13.602 -7.056 1.00 31.10 H new ATOM 0 HD1 PHE A 79 -2.777 -14.924 -8.994 1.00 2.43 H new ATOM 0 HD2 PHE A 79 -3.875 -16.589 -5.268 1.00 30.00 H new ATOM 0 HE1 PHE A 79 -2.704 -17.215 -9.994 1.00 63.12 H new ATOM 0 HE2 PHE A 79 -3.807 -18.879 -6.271 1.00 1.54 H new ATOM 0 HZ PHE A 79 -3.224 -19.163 -8.623 1.00 62.01 H new ATOM 1381 N VAL A 80 -1.475 -11.575 -7.642 1.00 21.44 N ATOM 1382 CA VAL A 80 -1.538 -10.167 -8.002 1.00 62.12 C ATOM 1383 C VAL A 80 -1.953 -10.038 -9.468 1.00 53.14 C ATOM 1384 O VAL A 80 -1.210 -10.433 -10.364 1.00 72.31 O ATOM 1385 CB VAL A 80 -0.201 -9.489 -7.695 1.00 75.21 C ATOM 1386 CG1 VAL A 80 0.914 -10.051 -8.579 1.00 74.51 C ATOM 1387 CG2 VAL A 80 -0.309 -7.971 -7.849 1.00 72.24 C ATOM 0 H VAL A 80 -0.863 -12.139 -8.232 1.00 21.44 H new ATOM 0 HA VAL A 80 -2.292 -9.653 -7.406 1.00 62.12 H new ATOM 0 HB VAL A 80 0.053 -9.704 -6.657 1.00 75.21 H new ATOM 0 HG11 VAL A 80 1.853 -9.552 -8.341 1.00 74.51 H new ATOM 0 HG12 VAL A 80 1.016 -11.121 -8.400 1.00 74.51 H new ATOM 0 HG13 VAL A 80 0.668 -9.880 -9.627 1.00 74.51 H new ATOM 0 HG21 VAL A 80 0.655 -7.513 -7.625 1.00 72.24 H new ATOM 0 HG22 VAL A 80 -0.597 -7.729 -8.872 1.00 72.24 H new ATOM 0 HG23 VAL A 80 -1.062 -7.588 -7.160 1.00 72.24 H new ATOM 1397 N ASN A 81 -3.140 -9.482 -9.668 1.00 42.00 N ATOM 1398 CA ASN A 81 -3.663 -9.296 -11.010 1.00 42.34 C ATOM 1399 C ASN A 81 -3.955 -10.662 -11.633 1.00 23.52 C ATOM 1400 O ASN A 81 -3.827 -10.837 -12.844 1.00 11.11 O ATOM 1401 CB ASN A 81 -2.648 -8.577 -11.901 1.00 33.42 C ATOM 1402 CG ASN A 81 -1.816 -7.581 -11.092 1.00 32.13 C ATOM 1403 OD1 ASN A 81 -0.617 -8.037 -10.737 1.00 74.42 O flip ATOM 1404 ND2 ASN A 81 -2.234 -6.470 -10.806 1.00 23.44 N flip ATOM 0 H ASN A 81 -3.754 -9.155 -8.922 1.00 42.00 H new ATOM 0 HA ASN A 81 -4.570 -8.696 -10.939 1.00 42.34 H new ATOM 0 HB2 ASN A 81 -1.990 -9.308 -12.372 1.00 33.42 H new ATOM 0 HB3 ASN A 81 -3.169 -8.054 -12.703 1.00 33.42 H new ATOM 0 HD21 ASN A 81 -3.164 -6.181 -11.109 1.00 23.44 H new ATOM 0 HD22 ASN A 81 -1.653 -5.831 -10.264 1.00 23.44 H new ATOM 1411 N ASP A 82 -4.342 -11.597 -10.778 1.00 73.32 N ATOM 1412 CA ASP A 82 -4.654 -12.942 -11.229 1.00 23.32 C ATOM 1413 C ASP A 82 -3.379 -13.610 -11.747 1.00 11.03 C ATOM 1414 O ASP A 82 -3.440 -14.638 -12.419 1.00 50.53 O ATOM 1415 CB ASP A 82 -5.673 -12.918 -12.372 1.00 70.50 C ATOM 1416 CG ASP A 82 -6.475 -14.208 -12.549 1.00 21.54 C ATOM 1417 OD1 ASP A 82 -6.044 -15.292 -12.128 1.00 75.13 O ATOM 1418 OD2 ASP A 82 -7.604 -14.068 -13.158 1.00 63.05 O ATOM 0 H ASP A 82 -4.447 -11.449 -9.774 1.00 73.32 H new ATOM 0 HA ASP A 82 -5.071 -13.492 -10.385 1.00 23.32 H new ATOM 0 HB2 ASP A 82 -6.368 -12.096 -12.202 1.00 70.50 H new ATOM 0 HB3 ASP A 82 -5.148 -12.704 -13.303 1.00 70.50 H new ATOM 1424 N THR A 83 -2.251 -12.997 -11.415 1.00 42.44 N ATOM 1425 CA THR A 83 -0.963 -13.519 -11.839 1.00 61.11 C ATOM 1426 C THR A 83 -0.047 -13.723 -10.631 1.00 21.15 C ATOM 1427 O THR A 83 0.383 -12.756 -10.003 1.00 74.25 O ATOM 1428 CB THR A 83 -0.386 -12.562 -12.884 1.00 23.31 C ATOM 1429 OG1 THR A 83 0.162 -13.425 -13.879 1.00 43.30 O ATOM 1430 CG2 THR A 83 0.821 -11.782 -12.361 1.00 30.14 C ATOM 0 H THR A 83 -2.203 -12.144 -10.858 1.00 42.44 H new ATOM 0 HA THR A 83 -1.066 -14.502 -12.299 1.00 61.11 H new ATOM 0 HB THR A 83 -1.159 -11.863 -13.202 1.00 23.31 H new ATOM 0 HG1 THR A 83 0.556 -12.887 -14.597 1.00 43.30 H new ATOM 0 HG21 THR A 83 1.191 -11.118 -13.142 1.00 30.14 H new ATOM 0 HG22 THR A 83 0.525 -11.192 -11.494 1.00 30.14 H new ATOM 0 HG23 THR A 83 1.608 -12.479 -12.074 1.00 30.14 H new ATOM 1438 N LEU A 84 0.226 -14.988 -10.343 1.00 12.33 N ATOM 1439 CA LEU A 84 1.083 -15.330 -9.221 1.00 64.22 C ATOM 1440 C LEU A 84 2.530 -14.969 -9.561 1.00 22.45 C ATOM 1441 O LEU A 84 3.111 -15.524 -10.492 1.00 1.12 O ATOM 1442 CB LEU A 84 0.892 -16.797 -8.828 1.00 62.51 C ATOM 1443 CG LEU A 84 1.018 -17.114 -7.337 1.00 1.30 C ATOM 1444 CD1 LEU A 84 -0.359 -17.181 -6.673 1.00 31.45 C ATOM 1445 CD2 LEU A 84 1.823 -18.395 -7.116 1.00 5.15 C ATOM 0 H LEU A 84 -0.131 -15.787 -10.867 1.00 12.33 H new ATOM 0 HA LEU A 84 0.807 -14.749 -8.341 1.00 64.22 H new ATOM 0 HB2 LEU A 84 -0.094 -17.117 -9.165 1.00 62.51 H new ATOM 0 HB3 LEU A 84 1.624 -17.396 -9.370 1.00 62.51 H new ATOM 0 HG LEU A 84 1.567 -16.302 -6.860 1.00 1.30 H new ATOM 0 HD11 LEU A 84 -0.241 -17.408 -5.613 1.00 31.45 H new ATOM 0 HD12 LEU A 84 -0.864 -16.222 -6.785 1.00 31.45 H new ATOM 0 HD13 LEU A 84 -0.954 -17.962 -7.147 1.00 31.45 H new ATOM 0 HD21 LEU A 84 1.898 -18.598 -6.048 1.00 5.15 H new ATOM 0 HD22 LEU A 84 1.323 -19.229 -7.610 1.00 5.15 H new ATOM 0 HD23 LEU A 84 2.823 -18.273 -7.533 1.00 5.15 H new ATOM 1457 N PRO A 85 3.087 -14.014 -8.768 1.00 73.14 N ATOM 1458 CA PRO A 85 4.455 -13.572 -8.975 1.00 54.01 C ATOM 1459 C PRO A 85 5.452 -14.620 -8.474 1.00 31.32 C ATOM 1460 O PRO A 85 5.104 -15.475 -7.663 1.00 23.50 O ATOM 1461 CB PRO A 85 4.559 -12.250 -8.232 1.00 13.52 C ATOM 1462 CG PRO A 85 3.394 -12.229 -7.255 1.00 42.32 C ATOM 1463 CD PRO A 85 2.429 -13.334 -7.656 1.00 13.01 C ATOM 0 HA PRO A 85 4.699 -13.441 -10.029 1.00 54.01 H new ATOM 0 HB2 PRO A 85 5.511 -12.171 -7.707 1.00 13.52 H new ATOM 0 HB3 PRO A 85 4.505 -11.408 -8.923 1.00 13.52 H new ATOM 0 HG2 PRO A 85 3.748 -12.383 -6.236 1.00 42.32 H new ATOM 0 HG3 PRO A 85 2.895 -11.260 -7.277 1.00 42.32 H new ATOM 0 HD2 PRO A 85 2.243 -14.018 -6.828 1.00 13.01 H new ATOM 0 HD3 PRO A 85 1.463 -12.927 -7.956 1.00 13.01 H new ATOM 1471 N PRO A 86 6.705 -14.513 -8.992 1.00 12.01 N ATOM 1472 CA PRO A 86 7.755 -15.440 -8.605 1.00 0.14 C ATOM 1473 C PRO A 86 8.271 -15.128 -7.200 1.00 13.22 C ATOM 1474 O PRO A 86 7.827 -14.170 -6.569 1.00 70.44 O ATOM 1475 CB PRO A 86 8.823 -15.293 -9.678 1.00 21.33 C ATOM 1476 CG PRO A 86 8.547 -13.964 -10.361 1.00 1.45 C ATOM 1477 CD PRO A 86 7.155 -13.511 -9.954 1.00 12.41 C ATOM 0 HA PRO A 86 7.407 -16.471 -8.547 1.00 0.14 H new ATOM 0 HB2 PRO A 86 9.821 -15.307 -9.240 1.00 21.33 H new ATOM 0 HB3 PRO A 86 8.776 -16.116 -10.391 1.00 21.33 H new ATOM 0 HG2 PRO A 86 9.290 -13.223 -10.068 1.00 1.45 H new ATOM 0 HG3 PRO A 86 8.612 -14.070 -11.444 1.00 1.45 H new ATOM 0 HD2 PRO A 86 7.177 -12.516 -9.509 1.00 12.41 H new ATOM 0 HD3 PRO A 86 6.488 -13.460 -10.814 1.00 12.41 H new ATOM 1485 N THR A 87 9.203 -15.957 -6.750 1.00 44.33 N ATOM 1486 CA THR A 87 9.785 -15.782 -5.429 1.00 62.41 C ATOM 1487 C THR A 87 10.845 -14.679 -5.455 1.00 30.31 C ATOM 1488 O THR A 87 11.015 -13.952 -4.478 1.00 14.22 O ATOM 1489 CB THR A 87 10.328 -17.135 -4.969 1.00 10.12 C ATOM 1490 OG1 THR A 87 11.593 -17.241 -5.618 1.00 55.12 O ATOM 1491 CG2 THR A 87 9.525 -18.311 -5.528 1.00 50.43 C ATOM 0 H THR A 87 9.569 -16.751 -7.276 1.00 44.33 H new ATOM 0 HA THR A 87 9.037 -15.453 -4.708 1.00 62.41 H new ATOM 0 HB THR A 87 10.321 -17.176 -3.880 1.00 10.12 H new ATOM 0 HG1 THR A 87 12.016 -18.090 -5.373 1.00 55.12 H new ATOM 0 HG21 THR A 87 9.954 -19.247 -5.170 1.00 50.43 H new ATOM 0 HG22 THR A 87 8.490 -18.235 -5.196 1.00 50.43 H new ATOM 0 HG23 THR A 87 9.559 -18.290 -6.617 1.00 50.43 H new ATOM 1499 N ALA A 88 11.529 -14.587 -6.586 1.00 71.44 N ATOM 1500 CA ALA A 88 12.567 -13.584 -6.753 1.00 13.45 C ATOM 1501 C ALA A 88 11.930 -12.263 -7.187 1.00 44.20 C ATOM 1502 O ALA A 88 12.632 -11.322 -7.557 1.00 63.25 O ATOM 1503 CB ALA A 88 13.607 -14.088 -7.757 1.00 64.41 C ATOM 0 H ALA A 88 11.385 -15.191 -7.396 1.00 71.44 H new ATOM 0 HA ALA A 88 13.083 -13.406 -5.810 1.00 13.45 H new ATOM 0 HB1 ALA A 88 14.386 -13.336 -7.883 1.00 64.41 H new ATOM 0 HB2 ALA A 88 14.051 -15.012 -7.388 1.00 64.41 H new ATOM 0 HB3 ALA A 88 13.125 -14.275 -8.717 1.00 64.41 H new ATOM 1509 N ALA A 89 10.607 -12.234 -7.127 1.00 34.45 N ATOM 1510 CA ALA A 89 9.867 -11.042 -7.509 1.00 73.43 C ATOM 1511 C ALA A 89 10.007 -9.987 -6.410 1.00 42.11 C ATOM 1512 O ALA A 89 9.018 -9.599 -5.789 1.00 30.52 O ATOM 1513 CB ALA A 89 8.407 -11.414 -7.779 1.00 61.45 C ATOM 0 H ALA A 89 10.028 -13.016 -6.820 1.00 34.45 H new ATOM 0 HA ALA A 89 10.270 -10.616 -8.428 1.00 73.43 H new ATOM 0 HB1 ALA A 89 7.851 -10.521 -8.065 1.00 61.45 H new ATOM 0 HB2 ALA A 89 8.361 -12.145 -8.586 1.00 61.45 H new ATOM 0 HB3 ALA A 89 7.968 -11.841 -6.878 1.00 61.45 H new ATOM 1519 N LEU A 90 11.241 -9.552 -6.204 1.00 64.42 N ATOM 1520 CA LEU A 90 11.521 -8.549 -5.191 1.00 63.51 C ATOM 1521 C LEU A 90 10.305 -7.632 -5.036 1.00 52.21 C ATOM 1522 O LEU A 90 9.989 -6.858 -5.938 1.00 54.01 O ATOM 1523 CB LEU A 90 12.815 -7.802 -5.521 1.00 34.25 C ATOM 1524 CG LEU A 90 13.918 -7.873 -4.462 1.00 71.21 C ATOM 1525 CD1 LEU A 90 14.024 -9.281 -3.872 1.00 54.54 C ATOM 1526 CD2 LEU A 90 15.254 -7.388 -5.028 1.00 41.31 C ATOM 0 H LEU A 90 12.058 -9.876 -6.721 1.00 64.42 H new ATOM 0 HA LEU A 90 11.690 -9.022 -4.224 1.00 63.51 H new ATOM 0 HB2 LEU A 90 13.211 -8.197 -6.457 1.00 34.25 H new ATOM 0 HB3 LEU A 90 12.572 -6.754 -5.695 1.00 34.25 H new ATOM 0 HG LEU A 90 13.650 -7.201 -3.646 1.00 71.21 H new ATOM 0 HD11 LEU A 90 14.815 -9.303 -3.123 1.00 54.54 H new ATOM 0 HD12 LEU A 90 13.076 -9.553 -3.407 1.00 54.54 H new ATOM 0 HD13 LEU A 90 14.256 -9.991 -4.665 1.00 54.54 H new ATOM 0 HD21 LEU A 90 16.020 -7.449 -4.255 1.00 41.31 H new ATOM 0 HD22 LEU A 90 15.540 -8.015 -5.873 1.00 41.31 H new ATOM 0 HD23 LEU A 90 15.155 -6.355 -5.360 1.00 41.31 H new ATOM 1538 N MET A 91 9.657 -7.750 -3.887 1.00 32.43 N ATOM 1539 CA MET A 91 8.484 -6.943 -3.603 1.00 22.31 C ATOM 1540 C MET A 91 8.644 -5.528 -4.164 1.00 44.01 C ATOM 1541 O MET A 91 7.660 -4.887 -4.531 1.00 41.02 O ATOM 1542 CB MET A 91 8.268 -6.871 -2.089 1.00 61.30 C ATOM 1543 CG MET A 91 8.204 -8.273 -1.479 1.00 10.20 C ATOM 1544 SD MET A 91 6.634 -8.514 -0.665 1.00 71.21 S ATOM 1545 CE MET A 91 5.528 -7.998 -1.967 1.00 3.14 C ATOM 0 H MET A 91 9.923 -8.393 -3.141 1.00 32.43 H new ATOM 0 HA MET A 91 7.621 -7.408 -4.080 1.00 22.31 H new ATOM 0 HB2 MET A 91 9.079 -6.306 -1.628 1.00 61.30 H new ATOM 0 HB3 MET A 91 7.344 -6.334 -1.875 1.00 61.30 H new ATOM 0 HG2 MET A 91 8.338 -9.024 -2.258 1.00 10.20 H new ATOM 0 HG3 MET A 91 9.017 -8.405 -0.765 1.00 10.20 H new ATOM 0 HE1 MET A 91 4.552 -8.462 -1.821 1.00 3.14 H new ATOM 0 HE2 MET A 91 5.421 -6.913 -1.945 1.00 3.14 H new ATOM 0 HE3 MET A 91 5.934 -8.303 -2.931 1.00 3.14 H new ATOM 1555 N SER A 92 9.891 -5.082 -4.210 1.00 61.22 N ATOM 1556 CA SER A 92 10.192 -3.755 -4.720 1.00 10.22 C ATOM 1557 C SER A 92 9.803 -3.661 -6.196 1.00 3.55 C ATOM 1558 O SER A 92 9.080 -2.747 -6.595 1.00 30.35 O ATOM 1559 CB SER A 92 11.674 -3.419 -4.538 1.00 12.35 C ATOM 1560 OG SER A 92 11.899 -2.012 -4.480 1.00 55.11 O ATOM 0 H SER A 92 10.704 -5.616 -3.903 1.00 61.22 H new ATOM 0 HA SER A 92 9.610 -3.029 -4.152 1.00 10.22 H new ATOM 0 HB2 SER A 92 12.041 -3.883 -3.623 1.00 12.35 H new ATOM 0 HB3 SER A 92 12.246 -3.844 -5.363 1.00 12.35 H new ATOM 0 HG SER A 92 12.790 -1.808 -4.834 1.00 55.11 H new ATOM 1566 N ALA A 93 10.298 -4.616 -6.968 1.00 51.43 N ATOM 1567 CA ALA A 93 10.012 -4.652 -8.393 1.00 44.32 C ATOM 1568 C ALA A 93 8.530 -4.969 -8.601 1.00 70.44 C ATOM 1569 O ALA A 93 7.921 -4.503 -9.564 1.00 35.31 O ATOM 1570 CB ALA A 93 10.928 -5.671 -9.072 1.00 51.33 C ATOM 0 H ALA A 93 10.896 -5.372 -6.634 1.00 51.43 H new ATOM 0 HA ALA A 93 10.210 -3.682 -8.850 1.00 44.32 H new ATOM 0 HB1 ALA A 93 10.714 -5.698 -10.140 1.00 51.33 H new ATOM 0 HB2 ALA A 93 11.968 -5.385 -8.918 1.00 51.33 H new ATOM 0 HB3 ALA A 93 10.756 -6.658 -8.642 1.00 51.33 H new ATOM 1576 N ILE A 94 7.991 -5.761 -7.686 1.00 40.34 N ATOM 1577 CA ILE A 94 6.592 -6.146 -7.759 1.00 0.42 C ATOM 1578 C ILE A 94 5.716 -4.903 -7.593 1.00 61.53 C ATOM 1579 O ILE A 94 4.777 -4.693 -8.362 1.00 44.40 O ATOM 1580 CB ILE A 94 6.287 -7.252 -6.745 1.00 24.11 C ATOM 1581 CG1 ILE A 94 7.025 -8.543 -7.105 1.00 53.44 C ATOM 1582 CG2 ILE A 94 4.780 -7.472 -6.611 1.00 24.34 C ATOM 1583 CD1 ILE A 94 6.443 -9.174 -8.370 1.00 10.40 C ATOM 0 H ILE A 94 8.498 -6.147 -6.890 1.00 40.34 H new ATOM 0 HA ILE A 94 6.364 -6.569 -8.737 1.00 0.42 H new ATOM 0 HB ILE A 94 6.653 -6.932 -5.769 1.00 24.11 H new ATOM 0 HG12 ILE A 94 8.084 -8.331 -7.254 1.00 53.44 H new ATOM 0 HG13 ILE A 94 6.955 -9.249 -6.277 1.00 53.44 H new ATOM 0 HG21 ILE A 94 4.591 -8.263 -5.885 1.00 24.34 H new ATOM 0 HG22 ILE A 94 4.306 -6.550 -6.275 1.00 24.34 H new ATOM 0 HG23 ILE A 94 4.367 -7.761 -7.578 1.00 24.34 H new ATOM 0 HD11 ILE A 94 6.986 -10.090 -8.603 1.00 10.40 H new ATOM 0 HD12 ILE A 94 5.390 -9.407 -8.209 1.00 10.40 H new ATOM 0 HD13 ILE A 94 6.537 -8.475 -9.201 1.00 10.40 H new ATOM 1595 N TYR A 95 6.053 -4.110 -6.588 1.00 51.15 N ATOM 1596 CA TYR A 95 5.308 -2.893 -6.312 1.00 20.24 C ATOM 1597 C TYR A 95 5.560 -1.841 -7.393 1.00 42.21 C ATOM 1598 O TYR A 95 4.949 -0.772 -7.379 1.00 45.41 O ATOM 1599 CB TYR A 95 5.838 -2.368 -4.975 1.00 42.53 C ATOM 1600 CG TYR A 95 5.205 -1.048 -4.531 1.00 20.22 C ATOM 1601 CD1 TYR A 95 5.670 0.147 -5.042 1.00 32.12 C ATOM 1602 CD2 TYR A 95 4.170 -1.052 -3.616 1.00 42.40 C ATOM 1603 CE1 TYR A 95 5.074 1.389 -4.624 1.00 52.14 C ATOM 1604 CE2 TYR A 95 3.575 0.191 -3.199 1.00 23.54 C ATOM 1605 CZ TYR A 95 4.056 1.349 -3.722 1.00 24.44 C ATOM 1606 OH TYR A 95 3.494 2.523 -3.326 1.00 51.50 O ATOM 0 H TYR A 95 6.832 -4.286 -5.954 1.00 51.15 H new ATOM 0 HA TYR A 95 4.237 -3.095 -6.287 1.00 20.24 H new ATOM 0 HB2 TYR A 95 5.663 -3.120 -4.206 1.00 42.53 H new ATOM 0 HB3 TYR A 95 6.917 -2.235 -5.051 1.00 42.53 H new ATOM 0 HD1 TYR A 95 6.481 0.150 -5.755 1.00 32.12 H new ATOM 0 HD2 TYR A 95 3.808 -1.987 -3.214 1.00 42.40 H new ATOM 0 HE1 TYR A 95 5.427 2.331 -5.017 1.00 52.14 H new ATOM 0 HE2 TYR A 95 2.764 0.203 -2.486 1.00 23.54 H new ATOM 0 HH TYR A 95 2.562 2.558 -3.627 1.00 51.50 H new ATOM 1616 N GLN A 96 6.459 -2.178 -8.307 1.00 41.34 N ATOM 1617 CA GLN A 96 6.796 -1.276 -9.394 1.00 40.14 C ATOM 1618 C GLN A 96 6.145 -1.745 -10.697 1.00 73.33 C ATOM 1619 O GLN A 96 6.166 -1.032 -11.698 1.00 35.05 O ATOM 1620 CB GLN A 96 8.313 -1.153 -9.553 1.00 62.44 C ATOM 1621 CG GLN A 96 8.682 -0.688 -10.964 1.00 73.05 C ATOM 1622 CD GLN A 96 8.074 0.684 -11.264 1.00 52.22 C ATOM 1623 OE1 GLN A 96 7.904 1.520 -10.391 1.00 22.34 O ATOM 1624 NE2 GLN A 96 7.761 0.868 -12.543 1.00 34.13 N ATOM 0 H GLN A 96 6.964 -3.064 -8.316 1.00 41.34 H new ATOM 0 HA GLN A 96 6.406 -0.287 -9.153 1.00 40.14 H new ATOM 0 HB2 GLN A 96 8.703 -0.447 -8.820 1.00 62.44 H new ATOM 0 HB3 GLN A 96 8.783 -2.115 -9.349 1.00 62.44 H new ATOM 0 HG2 GLN A 96 9.766 -0.639 -11.063 1.00 73.05 H new ATOM 0 HG3 GLN A 96 8.328 -1.415 -11.695 1.00 73.05 H new ATOM 0 HE21 GLN A 96 7.930 0.125 -13.221 1.00 34.13 H new ATOM 0 HE22 GLN A 96 7.352 1.752 -12.846 1.00 34.13 H new ATOM 1633 N GLU A 97 5.582 -2.943 -10.640 1.00 32.44 N ATOM 1634 CA GLU A 97 4.925 -3.517 -11.802 1.00 2.21 C ATOM 1635 C GLU A 97 3.449 -3.783 -11.500 1.00 41.50 C ATOM 1636 O GLU A 97 2.682 -4.138 -12.394 1.00 31.31 O ATOM 1637 CB GLU A 97 5.631 -4.797 -12.256 1.00 65.22 C ATOM 1638 CG GLU A 97 5.061 -6.021 -11.538 1.00 55.53 C ATOM 1639 CD GLU A 97 5.781 -7.297 -11.975 1.00 44.43 C ATOM 1640 OE1 GLU A 97 5.394 -8.401 -11.564 1.00 63.43 O ATOM 1641 OE2 GLU A 97 6.779 -7.114 -12.774 1.00 70.13 O ATOM 0 H GLU A 97 5.567 -3.532 -9.807 1.00 32.44 H new ATOM 0 HA GLU A 97 4.985 -2.799 -12.620 1.00 2.21 H new ATOM 0 HB2 GLU A 97 5.517 -4.917 -13.333 1.00 65.22 H new ATOM 0 HB3 GLU A 97 6.699 -4.718 -12.055 1.00 65.22 H new ATOM 0 HG2 GLU A 97 5.161 -5.894 -10.460 1.00 55.53 H new ATOM 0 HG3 GLU A 97 3.996 -6.109 -11.751 1.00 55.53 H new ATOM 1649 N HIS A 98 3.093 -3.602 -10.237 1.00 3.52 N ATOM 1650 CA HIS A 98 1.723 -3.818 -9.806 1.00 21.22 C ATOM 1651 C HIS A 98 1.235 -2.602 -9.016 1.00 61.24 C ATOM 1652 O HIS A 98 0.244 -2.683 -8.294 1.00 1.42 O ATOM 1653 CB HIS A 98 1.600 -5.124 -9.017 1.00 32.21 C ATOM 1654 CG HIS A 98 2.015 -6.351 -9.794 1.00 32.35 C ATOM 1655 ND1 HIS A 98 2.664 -7.483 -9.395 1.00 41.32 N flip ATOM 1656 CD2 HIS A 98 1.765 -6.502 -11.148 1.00 62.03 C flip ATOM 1657 CE1 HIS A 98 2.802 -8.281 -10.445 1.00 52.14 C flip ATOM 1658 NE2 HIS A 98 2.246 -7.675 -11.533 1.00 24.24 N flip ATOM 0 H HIS A 98 3.731 -3.308 -9.497 1.00 3.52 H new ATOM 0 HA HIS A 98 1.078 -3.925 -10.678 1.00 21.22 H new ATOM 0 HB2 HIS A 98 2.211 -5.052 -8.117 1.00 32.21 H new ATOM 0 HB3 HIS A 98 0.567 -5.244 -8.692 1.00 32.21 H new ATOM 0 HD2 HIS A 98 1.263 -5.786 -11.782 1.00 62.03 H new ATOM 0 HE1 HIS A 98 3.277 -9.251 -10.440 1.00 52.14 H new ATOM 0 HE2 HIS A 98 2.207 -8.058 -12.478 1.00 24.24 H new ATOM 1667 N LYS A 99 1.953 -1.501 -9.185 1.00 12.51 N ATOM 1668 CA LYS A 99 1.606 -0.269 -8.497 1.00 13.43 C ATOM 1669 C LYS A 99 0.197 0.161 -8.910 1.00 32.40 C ATOM 1670 O LYS A 99 -0.310 -0.272 -9.944 1.00 3.15 O ATOM 1671 CB LYS A 99 2.671 0.801 -8.743 1.00 4.34 C ATOM 1672 CG LYS A 99 2.722 1.194 -10.222 1.00 4.14 C ATOM 1673 CD LYS A 99 2.279 2.645 -10.417 1.00 12.25 C ATOM 1674 CE LYS A 99 2.060 2.956 -11.899 1.00 60.42 C ATOM 1675 NZ LYS A 99 0.866 3.813 -12.077 1.00 53.51 N ATOM 0 H LYS A 99 2.773 -1.437 -9.788 1.00 12.51 H new ATOM 0 HA LYS A 99 1.589 -0.427 -7.419 1.00 13.43 H new ATOM 0 HB2 LYS A 99 2.455 1.681 -8.137 1.00 4.34 H new ATOM 0 HB3 LYS A 99 3.646 0.428 -8.428 1.00 4.34 H new ATOM 0 HG2 LYS A 99 3.735 1.065 -10.602 1.00 4.14 H new ATOM 0 HG3 LYS A 99 2.078 0.532 -10.801 1.00 4.14 H new ATOM 0 HD2 LYS A 99 1.357 2.825 -9.864 1.00 12.25 H new ATOM 0 HD3 LYS A 99 3.033 3.317 -10.008 1.00 12.25 H new ATOM 0 HE2 LYS A 99 2.939 3.457 -12.305 1.00 60.42 H new ATOM 0 HE3 LYS A 99 1.936 2.028 -12.457 1.00 60.42 H new ATOM 0 HZ1 LYS A 99 0.731 4.015 -13.088 1.00 53.51 H new ATOM 0 HZ2 LYS A 99 0.027 3.321 -11.707 1.00 53.51 H new ATOM 0 HZ3 LYS A 99 0.999 4.706 -11.561 1.00 53.51 H new ATOM 1689 N ASP A 100 -0.396 1.007 -8.081 1.00 41.20 N ATOM 1690 CA ASP A 100 -1.738 1.500 -8.348 1.00 31.41 C ATOM 1691 C ASP A 100 -1.728 3.030 -8.326 1.00 24.34 C ATOM 1692 O ASP A 100 -0.764 3.641 -7.866 1.00 10.10 O ATOM 1693 CB ASP A 100 -2.722 1.019 -7.281 1.00 64.51 C ATOM 1694 CG ASP A 100 -4.110 0.640 -7.806 1.00 34.41 C ATOM 1695 OD1 ASP A 100 -5.058 0.461 -7.029 1.00 4.35 O ATOM 1696 OD2 ASP A 100 -4.194 0.525 -9.088 1.00 2.43 O ATOM 0 H ASP A 100 0.027 1.364 -7.224 1.00 41.20 H new ATOM 0 HA ASP A 100 -2.049 1.123 -9.322 1.00 31.41 H new ATOM 0 HB2 ASP A 100 -2.293 0.154 -6.775 1.00 64.51 H new ATOM 0 HB3 ASP A 100 -2.835 1.803 -6.532 1.00 64.51 H new ATOM 1702 N LYS A 101 -2.810 3.604 -8.829 1.00 74.24 N ATOM 1703 CA LYS A 101 -2.938 5.050 -8.874 1.00 45.13 C ATOM 1704 C LYS A 101 -2.716 5.621 -7.472 1.00 14.41 C ATOM 1705 O LYS A 101 -1.964 6.580 -7.298 1.00 44.44 O ATOM 1706 CB LYS A 101 -4.277 5.451 -9.497 1.00 61.03 C ATOM 1707 CG LYS A 101 -4.440 4.837 -10.888 1.00 1.14 C ATOM 1708 CD LYS A 101 -5.391 5.671 -11.747 1.00 13.14 C ATOM 1709 CE LYS A 101 -6.794 5.705 -11.136 1.00 51.00 C ATOM 1710 NZ LYS A 101 -7.539 6.894 -11.612 1.00 33.55 N ATOM 0 H LYS A 101 -3.607 3.093 -9.209 1.00 74.24 H new ATOM 0 HA LYS A 101 -2.172 5.480 -9.519 1.00 45.13 H new ATOM 0 HB2 LYS A 101 -5.094 5.124 -8.853 1.00 61.03 H new ATOM 0 HB3 LYS A 101 -4.340 6.537 -9.565 1.00 61.03 H new ATOM 0 HG2 LYS A 101 -3.468 4.770 -11.376 1.00 1.14 H new ATOM 0 HG3 LYS A 101 -4.822 3.820 -10.798 1.00 1.14 H new ATOM 0 HD2 LYS A 101 -5.006 6.687 -11.841 1.00 13.14 H new ATOM 0 HD3 LYS A 101 -5.438 5.254 -12.753 1.00 13.14 H new ATOM 0 HE2 LYS A 101 -7.336 4.798 -11.404 1.00 51.00 H new ATOM 0 HE3 LYS A 101 -6.723 5.724 -10.048 1.00 51.00 H new ATOM 0 HZ1 LYS A 101 -8.489 6.901 -11.188 1.00 33.55 H new ATOM 0 HZ2 LYS A 101 -7.029 7.757 -11.335 1.00 33.55 H new ATOM 0 HZ3 LYS A 101 -7.623 6.859 -12.648 1.00 33.55 H new ATOM 1724 N ASP A 102 -3.384 5.008 -6.506 1.00 24.54 N ATOM 1725 CA ASP A 102 -3.270 5.442 -5.123 1.00 44.11 C ATOM 1726 C ASP A 102 -1.850 5.167 -4.623 1.00 52.35 C ATOM 1727 O ASP A 102 -1.409 5.761 -3.640 1.00 42.15 O ATOM 1728 CB ASP A 102 -4.245 4.680 -4.224 1.00 5.45 C ATOM 1729 CG ASP A 102 -4.428 3.203 -4.574 1.00 13.43 C ATOM 1730 OD1 ASP A 102 -5.471 2.796 -5.106 1.00 41.40 O ATOM 1731 OD2 ASP A 102 -3.428 2.444 -4.276 1.00 40.41 O ATOM 0 H ASP A 102 -4.007 4.214 -6.653 1.00 24.54 H new ATOM 0 HA ASP A 102 -3.501 6.506 -5.083 1.00 44.11 H new ATOM 0 HB2 ASP A 102 -3.898 4.753 -3.193 1.00 5.45 H new ATOM 0 HB3 ASP A 102 -5.217 5.172 -4.269 1.00 5.45 H new ATOM 1737 N GLY A 103 -1.175 4.267 -5.322 1.00 12.34 N ATOM 1738 CA GLY A 103 0.185 3.906 -4.960 1.00 1.51 C ATOM 1739 C GLY A 103 0.217 2.579 -4.200 1.00 42.14 C ATOM 1740 O GLY A 103 1.111 1.760 -4.408 1.00 30.21 O ATOM 0 H GLY A 103 -1.544 3.777 -6.137 1.00 12.34 H new ATOM 0 HA2 GLY A 103 0.796 3.829 -5.859 1.00 1.51 H new ATOM 0 HA3 GLY A 103 0.622 4.692 -4.344 1.00 1.51 H new ATOM 1744 N PHE A 104 -0.771 2.406 -3.333 1.00 53.45 N ATOM 1745 CA PHE A 104 -0.868 1.192 -2.541 1.00 12.24 C ATOM 1746 C PHE A 104 -0.987 -0.040 -3.439 1.00 72.13 C ATOM 1747 O PHE A 104 -1.755 -0.042 -4.399 1.00 71.15 O ATOM 1748 CB PHE A 104 -2.134 1.313 -1.691 1.00 72.42 C ATOM 1749 CG PHE A 104 -1.894 1.883 -0.292 1.00 64.25 C ATOM 1750 CD1 PHE A 104 -0.854 1.428 0.458 1.00 73.23 C ATOM 1751 CD2 PHE A 104 -2.718 2.844 0.203 1.00 30.24 C ATOM 1752 CE1 PHE A 104 -0.630 1.956 1.755 1.00 34.41 C ATOM 1753 CE2 PHE A 104 -2.495 3.372 1.501 1.00 70.41 C ATOM 1754 CZ PHE A 104 -1.455 2.918 2.251 1.00 62.30 C ATOM 0 H PHE A 104 -1.511 3.087 -3.162 1.00 53.45 H new ATOM 0 HA PHE A 104 0.025 1.076 -1.927 1.00 12.24 H new ATOM 0 HB2 PHE A 104 -2.850 1.948 -2.213 1.00 72.42 H new ATOM 0 HB3 PHE A 104 -2.591 0.328 -1.597 1.00 72.42 H new ATOM 0 HD1 PHE A 104 -0.199 0.664 0.065 1.00 73.23 H new ATOM 0 HD2 PHE A 104 -3.543 3.206 -0.392 1.00 30.24 H new ATOM 0 HE1 PHE A 104 0.196 1.594 2.350 1.00 34.41 H new ATOM 0 HE2 PHE A 104 -3.151 4.135 1.894 1.00 70.41 H new ATOM 0 HZ PHE A 104 -1.284 3.320 3.239 1.00 62.30 H new ATOM 1764 N LEU A 105 -0.213 -1.061 -3.095 1.00 64.23 N ATOM 1765 CA LEU A 105 -0.222 -2.298 -3.858 1.00 0.04 C ATOM 1766 C LEU A 105 -1.417 -3.148 -3.426 1.00 11.52 C ATOM 1767 O LEU A 105 -2.050 -2.868 -2.410 1.00 74.42 O ATOM 1768 CB LEU A 105 1.122 -3.015 -3.729 1.00 42.33 C ATOM 1769 CG LEU A 105 1.699 -3.599 -5.020 1.00 21.41 C ATOM 1770 CD1 LEU A 105 1.950 -2.497 -6.055 1.00 42.30 C ATOM 1771 CD2 LEU A 105 2.960 -4.418 -4.739 1.00 71.12 C ATOM 0 H LEU A 105 0.424 -1.056 -2.298 1.00 64.23 H new ATOM 0 HA LEU A 105 -0.346 -2.091 -4.921 1.00 0.04 H new ATOM 0 HB2 LEU A 105 1.847 -2.314 -3.316 1.00 42.33 H new ATOM 0 HB3 LEU A 105 1.012 -3.823 -3.006 1.00 42.33 H new ATOM 0 HG LEU A 105 0.962 -4.281 -5.445 1.00 21.41 H new ATOM 0 HD11 LEU A 105 2.360 -2.938 -6.964 1.00 42.30 H new ATOM 0 HD12 LEU A 105 1.011 -1.995 -6.287 1.00 42.30 H new ATOM 0 HD13 LEU A 105 2.658 -1.773 -5.651 1.00 42.30 H new ATOM 0 HD21 LEU A 105 3.348 -4.821 -5.674 1.00 71.12 H new ATOM 0 HD22 LEU A 105 3.714 -3.779 -4.279 1.00 71.12 H new ATOM 0 HD23 LEU A 105 2.718 -5.238 -4.063 1.00 71.12 H new ATOM 1783 N TYR A 106 -1.689 -4.173 -4.222 1.00 53.40 N ATOM 1784 CA TYR A 106 -2.798 -5.069 -3.935 1.00 42.31 C ATOM 1785 C TYR A 106 -2.463 -6.504 -4.343 1.00 52.24 C ATOM 1786 O TYR A 106 -1.991 -6.744 -5.453 1.00 34.34 O ATOM 1787 CB TYR A 106 -3.971 -4.571 -4.782 1.00 64.40 C ATOM 1788 CG TYR A 106 -4.476 -3.180 -4.391 1.00 62.10 C ATOM 1789 CD1 TYR A 106 -3.869 -2.055 -4.910 1.00 34.43 C ATOM 1790 CD2 TYR A 106 -5.537 -3.051 -3.519 1.00 44.43 C ATOM 1791 CE1 TYR A 106 -4.342 -0.746 -4.543 1.00 3.33 C ATOM 1792 CE2 TYR A 106 -6.012 -1.742 -3.150 1.00 41.03 C ATOM 1793 CZ TYR A 106 -5.390 -0.654 -3.680 1.00 45.15 C ATOM 1794 OH TYR A 106 -5.839 0.582 -3.333 1.00 44.34 O ATOM 0 H TYR A 106 -1.161 -4.403 -5.064 1.00 53.40 H new ATOM 0 HA TYR A 106 -3.023 -5.072 -2.869 1.00 42.31 H new ATOM 0 HB2 TYR A 106 -3.669 -4.555 -5.829 1.00 64.40 H new ATOM 0 HB3 TYR A 106 -4.793 -5.281 -4.698 1.00 64.40 H new ATOM 0 HD1 TYR A 106 -3.038 -2.157 -5.592 1.00 34.43 H new ATOM 0 HD2 TYR A 106 -6.012 -3.932 -3.113 1.00 44.43 H new ATOM 0 HE1 TYR A 106 -3.876 0.142 -4.943 1.00 3.33 H new ATOM 0 HE2 TYR A 106 -6.842 -1.627 -2.469 1.00 41.03 H new ATOM 0 HH TYR A 106 -5.726 1.195 -4.089 1.00 44.34 H new ATOM 1804 N VAL A 107 -2.721 -7.422 -3.424 1.00 22.34 N ATOM 1805 CA VAL A 107 -2.452 -8.829 -3.673 1.00 40.22 C ATOM 1806 C VAL A 107 -3.610 -9.669 -3.132 1.00 71.32 C ATOM 1807 O VAL A 107 -4.591 -9.126 -2.626 1.00 62.14 O ATOM 1808 CB VAL A 107 -1.099 -9.217 -3.072 1.00 15.44 C ATOM 1809 CG1 VAL A 107 -0.284 -7.976 -2.707 1.00 53.13 C ATOM 1810 CG2 VAL A 107 -1.281 -10.131 -1.860 1.00 51.41 C ATOM 0 H VAL A 107 -3.114 -7.220 -2.505 1.00 22.34 H new ATOM 0 HA VAL A 107 -2.384 -9.021 -4.744 1.00 40.22 H new ATOM 0 HB VAL A 107 -0.542 -9.770 -3.828 1.00 15.44 H new ATOM 0 HG11 VAL A 107 0.672 -8.281 -2.282 1.00 53.13 H new ATOM 0 HG12 VAL A 107 -0.110 -7.379 -3.602 1.00 53.13 H new ATOM 0 HG13 VAL A 107 -0.833 -7.382 -1.976 1.00 53.13 H new ATOM 0 HG21 VAL A 107 -0.305 -10.392 -1.451 1.00 51.41 H new ATOM 0 HG22 VAL A 107 -1.866 -9.614 -1.099 1.00 51.41 H new ATOM 0 HG23 VAL A 107 -1.802 -11.039 -2.164 1.00 51.41 H new ATOM 1820 N THR A 108 -3.458 -10.979 -3.257 1.00 21.14 N ATOM 1821 CA THR A 108 -4.480 -11.899 -2.787 1.00 55.41 C ATOM 1822 C THR A 108 -3.858 -13.252 -2.436 1.00 62.50 C ATOM 1823 O THR A 108 -3.461 -14.005 -3.323 1.00 11.44 O ATOM 1824 CB THR A 108 -5.565 -11.990 -3.861 1.00 74.21 C ATOM 1825 OG1 THR A 108 -5.634 -10.671 -4.398 1.00 40.54 O ATOM 1826 CG2 THR A 108 -6.956 -12.223 -3.270 1.00 22.42 C ATOM 0 H THR A 108 -2.643 -11.425 -3.677 1.00 21.14 H new ATOM 0 HA THR A 108 -4.942 -11.540 -1.867 1.00 55.41 H new ATOM 0 HB THR A 108 -5.324 -12.798 -4.552 1.00 74.21 H new ATOM 0 HG1 THR A 108 -6.313 -10.640 -5.104 1.00 40.54 H new ATOM 0 HG21 THR A 108 -7.689 -12.280 -4.075 1.00 22.42 H new ATOM 0 HG22 THR A 108 -6.961 -13.157 -2.708 1.00 22.42 H new ATOM 0 HG23 THR A 108 -7.211 -11.398 -2.605 1.00 22.42 H new ATOM 1834 N TYR A 109 -3.791 -13.518 -1.139 1.00 43.11 N ATOM 1835 CA TYR A 109 -3.224 -14.768 -0.660 1.00 32.00 C ATOM 1836 C TYR A 109 -4.318 -15.808 -0.415 1.00 31.13 C ATOM 1837 O TYR A 109 -5.237 -15.575 0.368 1.00 1.41 O ATOM 1838 CB TYR A 109 -2.544 -14.438 0.669 1.00 63.54 C ATOM 1839 CG TYR A 109 -3.503 -14.359 1.858 1.00 53.43 C ATOM 1840 CD1 TYR A 109 -3.863 -15.509 2.531 1.00 61.31 C ATOM 1841 CD2 TYR A 109 -4.009 -13.138 2.256 1.00 21.34 C ATOM 1842 CE1 TYR A 109 -4.766 -15.434 3.651 1.00 51.34 C ATOM 1843 CE2 TYR A 109 -4.913 -13.065 3.374 1.00 12.40 C ATOM 1844 CZ TYR A 109 -5.248 -14.216 4.017 1.00 12.31 C ATOM 1845 OH TYR A 109 -6.101 -14.146 5.073 1.00 35.34 O ATOM 0 H TYR A 109 -4.120 -12.890 -0.406 1.00 43.11 H new ATOM 0 HA TYR A 109 -2.532 -15.182 -1.393 1.00 32.00 H new ATOM 0 HB2 TYR A 109 -1.788 -15.195 0.876 1.00 63.54 H new ATOM 0 HB3 TYR A 109 -2.023 -13.485 0.572 1.00 63.54 H new ATOM 0 HD1 TYR A 109 -3.468 -16.464 2.218 1.00 61.31 H new ATOM 0 HD2 TYR A 109 -3.727 -12.238 1.729 1.00 21.34 H new ATOM 0 HE1 TYR A 109 -5.054 -16.326 4.188 1.00 51.34 H new ATOM 0 HE2 TYR A 109 -5.317 -12.116 3.695 1.00 12.40 H new ATOM 0 HH TYR A 109 -5.686 -14.564 5.857 1.00 35.34 H new ATOM 1855 N SER A 110 -4.183 -16.935 -1.099 1.00 65.21 N ATOM 1856 CA SER A 110 -5.149 -18.012 -0.966 1.00 13.24 C ATOM 1857 C SER A 110 -4.423 -19.341 -0.751 1.00 41.23 C ATOM 1858 O SER A 110 -3.219 -19.439 -0.977 1.00 40.25 O ATOM 1859 CB SER A 110 -6.056 -18.094 -2.195 1.00 42.53 C ATOM 1860 OG SER A 110 -7.048 -19.107 -2.059 1.00 73.50 O ATOM 0 H SER A 110 -3.419 -17.125 -1.747 1.00 65.21 H new ATOM 0 HA SER A 110 -5.777 -17.804 -0.100 1.00 13.24 H new ATOM 0 HB2 SER A 110 -6.541 -17.131 -2.353 1.00 42.53 H new ATOM 0 HB3 SER A 110 -5.451 -18.295 -3.079 1.00 42.53 H new ATOM 0 HG SER A 110 -7.784 -18.930 -2.681 1.00 73.50 H new ATOM 1866 N GLY A 111 -5.188 -20.332 -0.317 1.00 54.34 N ATOM 1867 CA GLY A 111 -4.633 -21.652 -0.070 1.00 10.15 C ATOM 1868 C GLY A 111 -4.506 -22.447 -1.371 1.00 11.13 C ATOM 1869 O GLY A 111 -4.091 -23.605 -1.357 1.00 34.05 O ATOM 0 H GLY A 111 -6.187 -20.247 -0.130 1.00 54.34 H new ATOM 0 HA2 GLY A 111 -3.654 -21.556 0.399 1.00 10.15 H new ATOM 0 HA3 GLY A 111 -5.270 -22.193 0.630 1.00 10.15 H new ATOM 1873 N GLU A 112 -4.870 -21.794 -2.464 1.00 51.04 N ATOM 1874 CA GLU A 112 -4.802 -22.424 -3.771 1.00 65.25 C ATOM 1875 C GLU A 112 -3.928 -21.596 -4.714 1.00 62.14 C ATOM 1876 O GLU A 112 -3.597 -20.450 -4.415 1.00 15.24 O ATOM 1877 CB GLU A 112 -6.202 -22.626 -4.356 1.00 35.22 C ATOM 1878 CG GLU A 112 -6.952 -21.297 -4.452 1.00 43.23 C ATOM 1879 CD GLU A 112 -6.437 -20.461 -5.625 1.00 13.11 C ATOM 1880 OE1 GLU A 112 -6.745 -20.767 -6.788 1.00 1.43 O ATOM 1881 OE2 GLU A 112 -5.693 -19.458 -5.296 1.00 41.42 O ATOM 0 H GLU A 112 -5.213 -20.834 -2.471 1.00 51.04 H new ATOM 0 HA GLU A 112 -4.347 -23.408 -3.656 1.00 65.25 H new ATOM 0 HB2 GLU A 112 -6.125 -23.077 -5.345 1.00 35.22 H new ATOM 0 HB3 GLU A 112 -6.764 -23.321 -3.732 1.00 35.22 H new ATOM 0 HG2 GLU A 112 -8.019 -21.485 -4.575 1.00 43.23 H new ATOM 0 HG3 GLU A 112 -6.832 -20.740 -3.523 1.00 43.23 H new ATOM 1889 N ASN A 113 -3.578 -22.209 -5.835 1.00 71.13 N ATOM 1890 CA ASN A 113 -2.748 -21.543 -6.826 1.00 34.31 C ATOM 1891 C ASN A 113 -3.411 -21.657 -8.200 1.00 20.23 C ATOM 1892 O ASN A 113 -2.726 -21.704 -9.221 1.00 34.14 O ATOM 1893 CB ASN A 113 -1.365 -22.193 -6.912 1.00 45.03 C ATOM 1894 CG ASN A 113 -0.442 -21.397 -7.836 1.00 12.10 C ATOM 1895 OD1 ASN A 113 -0.837 -20.430 -8.468 1.00 30.35 O ATOM 1896 ND2 ASN A 113 0.804 -21.856 -7.883 1.00 31.33 N ATOM 0 H ASN A 113 -3.854 -23.160 -6.080 1.00 71.13 H new ATOM 0 HA ASN A 113 -2.638 -20.500 -6.529 1.00 34.31 H new ATOM 0 HB2 ASN A 113 -0.925 -22.253 -5.917 1.00 45.03 H new ATOM 0 HB3 ASN A 113 -1.461 -23.214 -7.280 1.00 45.03 H new ATOM 0 HD21 ASN A 113 1.496 -21.394 -8.473 1.00 31.33 H new ATOM 0 HD22 ASN A 113 1.069 -22.670 -7.329 1.00 31.33 H new ATOM 1903 N THR A 114 -4.735 -21.696 -8.182 1.00 2.32 N ATOM 1904 CA THR A 114 -5.497 -21.804 -9.414 1.00 50.23 C ATOM 1905 C THR A 114 -5.809 -20.413 -9.969 1.00 72.55 C ATOM 1906 O THR A 114 -5.270 -19.415 -9.495 1.00 12.33 O ATOM 1907 CB THR A 114 -6.746 -22.637 -9.126 1.00 73.22 C ATOM 1908 OG1 THR A 114 -6.272 -23.700 -8.304 1.00 70.52 O ATOM 1909 CG2 THR A 114 -7.281 -23.342 -10.374 1.00 53.33 C ATOM 0 H THR A 114 -5.300 -21.655 -7.333 1.00 2.32 H new ATOM 0 HA THR A 114 -4.924 -22.310 -10.191 1.00 50.23 H new ATOM 0 HB THR A 114 -7.523 -21.994 -8.711 1.00 73.22 H new ATOM 0 HG1 THR A 114 -7.019 -24.289 -8.068 1.00 70.52 H new ATOM 0 HG21 THR A 114 -8.168 -23.919 -10.114 1.00 53.33 H new ATOM 0 HG22 THR A 114 -7.540 -22.599 -11.129 1.00 53.33 H new ATOM 0 HG23 THR A 114 -6.516 -24.010 -10.770 1.00 53.33 H new ATOM 1917 N PHE A 115 -6.681 -20.391 -10.967 1.00 31.21 N ATOM 1918 CA PHE A 115 -7.072 -19.140 -11.592 1.00 74.33 C ATOM 1919 C PHE A 115 -8.548 -18.834 -11.331 1.00 52.11 C ATOM 1920 O PHE A 115 -9.424 -19.336 -12.034 1.00 2.34 O ATOM 1921 CB PHE A 115 -6.858 -19.306 -13.098 1.00 71.32 C ATOM 1922 CG PHE A 115 -7.262 -20.679 -13.637 1.00 35.32 C ATOM 1923 CD1 PHE A 115 -6.429 -21.744 -13.478 1.00 71.13 C ATOM 1924 CD2 PHE A 115 -8.452 -20.836 -14.275 1.00 42.14 C ATOM 1925 CE1 PHE A 115 -6.805 -23.018 -13.979 1.00 73.42 C ATOM 1926 CE2 PHE A 115 -8.828 -22.111 -14.775 1.00 70.23 C ATOM 1927 CZ PHE A 115 -7.996 -23.175 -14.617 1.00 24.02 C ATOM 0 H PHE A 115 -7.128 -21.221 -11.358 1.00 31.21 H new ATOM 0 HA PHE A 115 -6.480 -18.320 -11.184 1.00 74.33 H new ATOM 0 HB2 PHE A 115 -7.429 -18.539 -13.622 1.00 71.32 H new ATOM 0 HB3 PHE A 115 -5.806 -19.133 -13.326 1.00 71.32 H new ATOM 0 HD1 PHE A 115 -5.483 -21.620 -12.971 1.00 71.13 H new ATOM 0 HD2 PHE A 115 -9.112 -19.991 -14.402 1.00 42.14 H new ATOM 0 HE1 PHE A 115 -6.145 -23.863 -13.853 1.00 73.42 H new ATOM 0 HE2 PHE A 115 -9.774 -22.236 -15.280 1.00 70.23 H new ATOM 0 HZ PHE A 115 -8.281 -24.145 -14.998 1.00 24.02 H new ATOM 1937 N GLY A 116 -8.779 -18.011 -10.319 1.00 41.22 N ATOM 1938 CA GLY A 116 -10.134 -17.632 -9.956 1.00 63.52 C ATOM 1939 C GLY A 116 -10.134 -16.670 -8.767 1.00 53.54 C ATOM 1940 O GLY A 116 -10.958 -15.759 -8.701 1.00 21.00 O ATOM 0 H GLY A 116 -8.050 -17.596 -9.739 1.00 41.22 H new ATOM 0 HA2 GLY A 116 -10.625 -17.162 -10.808 1.00 63.52 H new ATOM 0 HA3 GLY A 116 -10.710 -18.523 -9.707 1.00 63.52 H new TER 1944 GLY A 116 ATOM 1945 N GLY B 597 -7.357 27.536 7.676 1.00 75.34 N ATOM 1946 CA GLY B 597 -6.558 28.222 6.674 1.00 34.21 C ATOM 1947 C GLY B 597 -5.176 28.577 7.224 1.00 23.30 C ATOM 1948 O GLY B 597 -4.830 29.752 7.336 1.00 40.31 O ATOM 0 HA2 GLY B 597 -6.451 27.589 5.793 1.00 34.21 H new ATOM 0 HA3 GLY B 597 -7.070 29.129 6.354 1.00 34.21 H new ATOM 1952 N PRO B 598 -4.401 27.511 7.563 1.00 62.55 N ATOM 1953 CA PRO B 598 -3.064 27.698 8.099 1.00 62.45 C ATOM 1954 C PRO B 598 -2.083 28.104 6.998 1.00 14.31 C ATOM 1955 O PRO B 598 -2.155 27.595 5.880 1.00 53.31 O ATOM 1956 CB PRO B 598 -2.711 26.368 8.748 1.00 22.45 C ATOM 1957 CG PRO B 598 -3.665 25.347 8.152 1.00 50.22 C ATOM 1958 CD PRO B 598 -4.778 26.105 7.446 1.00 31.51 C ATOM 0 HA PRO B 598 -3.012 28.508 8.826 1.00 62.45 H new ATOM 0 HB2 PRO B 598 -1.674 26.098 8.546 1.00 22.45 H new ATOM 0 HB3 PRO B 598 -2.822 26.420 9.831 1.00 22.45 H new ATOM 0 HG2 PRO B 598 -3.140 24.698 7.450 1.00 50.22 H new ATOM 0 HG3 PRO B 598 -4.075 24.706 8.933 1.00 50.22 H new ATOM 0 HD2 PRO B 598 -4.862 25.803 6.402 1.00 31.51 H new ATOM 0 HD3 PRO B 598 -5.745 25.914 7.912 1.00 31.51 H new ATOM 1966 N HIS B 599 -1.190 29.016 7.351 1.00 20.43 N ATOM 1967 CA HIS B 599 -0.196 29.496 6.406 1.00 24.33 C ATOM 1968 C HIS B 599 0.382 28.314 5.625 1.00 13.23 C ATOM 1969 O HIS B 599 0.230 27.162 6.030 1.00 43.53 O ATOM 1970 CB HIS B 599 0.879 30.317 7.120 1.00 5.22 C ATOM 1971 CG HIS B 599 0.331 31.419 7.995 1.00 61.33 C ATOM 1972 ND1 HIS B 599 -0.264 32.558 7.482 1.00 2.12 N ATOM 1973 CD2 HIS B 599 0.292 31.542 9.352 1.00 14.25 C ATOM 1974 CE1 HIS B 599 -0.639 33.326 8.494 1.00 22.11 C ATOM 1975 NE2 HIS B 599 -0.293 32.696 9.652 1.00 14.21 N ATOM 0 H HIS B 599 -1.134 29.436 8.279 1.00 20.43 H new ATOM 0 HA HIS B 599 -0.666 30.167 5.687 1.00 24.33 H new ATOM 0 HB2 HIS B 599 1.485 29.649 7.732 1.00 5.22 H new ATOM 0 HB3 HIS B 599 1.542 30.755 6.374 1.00 5.22 H new ATOM 0 HD2 HIS B 599 0.672 30.823 10.063 1.00 14.25 H new ATOM 0 HE1 HIS B 599 -1.132 34.283 8.415 1.00 22.11 H new ATOM 0 HE2 HIS B 599 -0.456 33.052 10.594 1.00 14.21 H new ATOM 1984 N MET B 600 1.034 28.640 4.518 1.00 35.21 N ATOM 1985 CA MET B 600 1.634 27.619 3.676 1.00 63.23 C ATOM 1986 C MET B 600 2.973 27.152 4.252 1.00 12.44 C ATOM 1987 O MET B 600 3.672 26.350 3.635 1.00 13.20 O ATOM 1988 CB MET B 600 1.854 28.183 2.271 1.00 40.24 C ATOM 1989 CG MET B 600 2.060 27.056 1.255 1.00 42.43 C ATOM 1990 SD MET B 600 1.809 27.673 -0.401 1.00 51.21 S ATOM 1991 CE MET B 600 3.239 28.729 -0.558 1.00 71.31 C ATOM 0 H MET B 600 1.160 29.596 4.185 1.00 35.21 H new ATOM 0 HA MET B 600 0.959 26.765 3.634 1.00 63.23 H new ATOM 0 HB2 MET B 600 0.996 28.788 1.979 1.00 40.24 H new ATOM 0 HB3 MET B 600 2.723 28.841 2.271 1.00 40.24 H new ATOM 0 HG2 MET B 600 3.066 26.648 1.351 1.00 42.43 H new ATOM 0 HG3 MET B 600 1.365 26.241 1.458 1.00 42.43 H new ATOM 0 HE1 MET B 600 3.327 29.071 -1.589 1.00 71.31 H new ATOM 0 HE2 MET B 600 3.130 29.590 0.102 1.00 71.31 H new ATOM 0 HE3 MET B 600 4.135 28.172 -0.283 1.00 71.31 H new ATOM 2001 N ILE B 601 3.288 27.672 5.429 1.00 63.02 N ATOM 2002 CA ILE B 601 4.530 27.318 6.096 1.00 4.30 C ATOM 2003 C ILE B 601 4.686 25.796 6.097 1.00 60.31 C ATOM 2004 O ILE B 601 5.801 25.283 6.183 1.00 72.44 O ATOM 2005 CB ILE B 601 4.586 27.943 7.491 1.00 25.01 C ATOM 2006 CG1 ILE B 601 6.020 27.963 8.024 1.00 55.25 C ATOM 2007 CG2 ILE B 601 3.628 27.232 8.449 1.00 53.51 C ATOM 2008 CD1 ILE B 601 6.036 28.127 9.547 1.00 12.21 C ATOM 0 H ILE B 601 2.705 28.336 5.938 1.00 63.02 H new ATOM 0 HA ILE B 601 5.384 27.727 5.555 1.00 4.30 H new ATOM 0 HB ILE B 601 4.255 28.979 7.416 1.00 25.01 H new ATOM 0 HG12 ILE B 601 6.527 27.038 7.749 1.00 55.25 H new ATOM 0 HG13 ILE B 601 6.573 28.780 7.561 1.00 55.25 H new ATOM 0 HG21 ILE B 601 3.687 27.696 9.434 1.00 53.51 H new ATOM 0 HG22 ILE B 601 2.609 27.313 8.071 1.00 53.51 H new ATOM 0 HG23 ILE B 601 3.904 26.180 8.526 1.00 53.51 H new ATOM 0 HD11 ILE B 601 7.067 28.138 9.901 1.00 12.21 H new ATOM 0 HD12 ILE B 601 5.549 29.064 9.817 1.00 12.21 H new ATOM 0 HD13 ILE B 601 5.503 27.295 10.008 1.00 12.21 H new ATOM 2020 N SER B 602 3.553 25.116 6.000 1.00 24.53 N ATOM 2021 CA SER B 602 3.551 23.663 5.989 1.00 44.02 C ATOM 2022 C SER B 602 2.635 23.150 4.877 1.00 51.34 C ATOM 2023 O SER B 602 3.108 22.609 3.877 1.00 54.12 O ATOM 2024 CB SER B 602 3.107 23.103 7.342 1.00 55.44 C ATOM 2025 OG SER B 602 3.637 23.854 8.431 1.00 51.42 O ATOM 0 H SER B 602 2.630 25.544 5.928 1.00 24.53 H new ATOM 0 HA SER B 602 4.569 23.321 5.800 1.00 44.02 H new ATOM 0 HB2 SER B 602 2.018 23.106 7.396 1.00 55.44 H new ATOM 0 HB3 SER B 602 3.428 22.065 7.427 1.00 55.44 H new ATOM 0 HG SER B 602 3.329 23.466 9.277 1.00 51.42 H new ATOM 2031 N GLY B 603 1.340 23.338 5.086 1.00 22.21 N ATOM 2032 CA GLY B 603 0.354 22.901 4.112 1.00 23.01 C ATOM 2033 C GLY B 603 -0.017 21.431 4.329 1.00 13.24 C ATOM 2034 O GLY B 603 0.297 20.580 3.499 1.00 71.31 O ATOM 0 H GLY B 603 0.951 23.787 5.915 1.00 22.21 H new ATOM 0 HA2 GLY B 603 -0.539 23.521 4.190 1.00 23.01 H new ATOM 0 HA3 GLY B 603 0.748 23.036 3.105 1.00 23.01 H new ATOM 2038 N LEU B 604 -0.680 21.182 5.449 1.00 23.11 N ATOM 2039 CA LEU B 604 -1.097 19.831 5.785 1.00 33.20 C ATOM 2040 C LEU B 604 -2.621 19.790 5.916 1.00 61.43 C ATOM 2041 O LEU B 604 -3.237 20.764 6.352 1.00 44.14 O ATOM 2042 CB LEU B 604 -0.360 19.337 7.031 1.00 63.33 C ATOM 2043 CG LEU B 604 -0.813 17.986 7.586 1.00 32.33 C ATOM 2044 CD1 LEU B 604 -0.505 16.857 6.603 1.00 3.42 C ATOM 2045 CD2 LEU B 604 -0.202 17.728 8.966 1.00 62.25 C ATOM 0 H LEU B 604 -0.938 21.892 6.134 1.00 23.11 H new ATOM 0 HA LEU B 604 -0.826 19.139 4.987 1.00 33.20 H new ATOM 0 HB2 LEU B 604 0.703 19.274 6.799 1.00 63.33 H new ATOM 0 HB3 LEU B 604 -0.471 20.086 7.815 1.00 63.33 H new ATOM 0 HG LEU B 604 -1.895 18.015 7.712 1.00 32.33 H new ATOM 0 HD11 LEU B 604 -0.838 15.908 7.023 1.00 3.42 H new ATOM 0 HD12 LEU B 604 -1.026 17.040 5.663 1.00 3.42 H new ATOM 0 HD13 LEU B 604 0.569 16.816 6.420 1.00 3.42 H new ATOM 0 HD21 LEU B 604 -0.540 16.761 9.338 1.00 62.25 H new ATOM 0 HD22 LEU B 604 0.885 17.727 8.888 1.00 62.25 H new ATOM 0 HD23 LEU B 604 -0.516 18.512 9.655 1.00 62.25 H new ATOM 2057 N SER B 605 -3.187 18.657 5.532 1.00 60.21 N ATOM 2058 CA SER B 605 -4.627 18.476 5.601 1.00 72.42 C ATOM 2059 C SER B 605 -4.997 17.056 5.169 1.00 55.33 C ATOM 2060 O SER B 605 -4.659 16.630 4.066 1.00 51.11 O ATOM 2061 CB SER B 605 -5.352 19.503 4.729 1.00 73.05 C ATOM 2062 OG SER B 605 -5.017 19.365 3.351 1.00 72.33 O ATOM 0 H SER B 605 -2.674 17.853 5.171 1.00 60.21 H new ATOM 0 HA SER B 605 -4.943 18.628 6.633 1.00 72.42 H new ATOM 0 HB2 SER B 605 -6.429 19.389 4.853 1.00 73.05 H new ATOM 0 HB3 SER B 605 -5.097 20.508 5.065 1.00 73.05 H new ATOM 0 HG SER B 605 -4.734 18.444 3.174 1.00 72.33 H new ATOM 2068 N VAL B 606 -5.691 16.362 6.061 1.00 13.10 N ATOM 2069 CA VAL B 606 -6.111 14.999 5.786 1.00 10.05 C ATOM 2070 C VAL B 606 -7.629 14.969 5.592 1.00 33.11 C ATOM 2071 O VAL B 606 -8.273 16.014 5.540 1.00 74.11 O ATOM 2072 CB VAL B 606 -5.632 14.068 6.902 1.00 45.42 C ATOM 2073 CG1 VAL B 606 -6.664 13.986 8.029 1.00 30.21 C ATOM 2074 CG2 VAL B 606 -5.307 12.678 6.353 1.00 64.30 C ATOM 0 H VAL B 606 -5.972 16.719 6.974 1.00 13.10 H new ATOM 0 HA VAL B 606 -5.657 14.637 4.863 1.00 10.05 H new ATOM 0 HB VAL B 606 -4.716 14.487 7.318 1.00 45.42 H new ATOM 0 HG11 VAL B 606 -6.299 13.318 8.809 1.00 30.21 H new ATOM 0 HG12 VAL B 606 -6.825 14.979 8.448 1.00 30.21 H new ATOM 0 HG13 VAL B 606 -7.605 13.602 7.634 1.00 30.21 H new ATOM 0 HG21 VAL B 606 -4.969 12.036 7.166 1.00 64.30 H new ATOM 0 HG22 VAL B 606 -6.200 12.248 5.898 1.00 64.30 H new ATOM 0 HG23 VAL B 606 -4.520 12.758 5.603 1.00 64.30 H new ATOM 2084 N ILE B 607 -8.155 13.757 5.490 1.00 53.13 N ATOM 2085 CA ILE B 607 -9.585 13.575 5.303 1.00 52.11 C ATOM 2086 C ILE B 607 -10.145 12.746 6.460 1.00 71.45 C ATOM 2087 O ILE B 607 -9.387 12.193 7.255 1.00 12.45 O ATOM 2088 CB ILE B 607 -9.873 12.981 3.923 1.00 63.01 C ATOM 2089 CG1 ILE B 607 -9.078 13.705 2.836 1.00 60.51 C ATOM 2090 CG2 ILE B 607 -11.376 12.977 3.631 1.00 70.03 C ATOM 2091 CD1 ILE B 607 -9.770 15.009 2.430 1.00 71.40 C ATOM 0 H ILE B 607 -7.617 12.892 5.533 1.00 53.13 H new ATOM 0 HA ILE B 607 -10.098 14.537 5.323 1.00 52.11 H new ATOM 0 HB ILE B 607 -9.542 11.942 3.922 1.00 63.01 H new ATOM 0 HG12 ILE B 607 -8.072 13.920 3.197 1.00 60.51 H new ATOM 0 HG13 ILE B 607 -8.973 13.058 1.965 1.00 60.51 H new ATOM 0 HG21 ILE B 607 -11.554 12.550 2.644 1.00 70.03 H new ATOM 0 HG22 ILE B 607 -11.891 12.380 4.383 1.00 70.03 H new ATOM 0 HG23 ILE B 607 -11.755 13.999 3.658 1.00 70.03 H new ATOM 0 HD11 ILE B 607 -9.185 15.505 1.656 1.00 71.40 H new ATOM 0 HD12 ILE B 607 -10.766 14.788 2.047 1.00 71.40 H new ATOM 0 HD13 ILE B 607 -9.852 15.663 3.298 1.00 71.40 H new ATOM 2103 N LYS B 608 -11.468 12.687 6.519 1.00 54.41 N ATOM 2104 CA LYS B 608 -12.139 11.935 7.565 1.00 40.33 C ATOM 2105 C LYS B 608 -13.339 11.200 6.969 1.00 31.41 C ATOM 2106 O LYS B 608 -14.137 11.792 6.243 1.00 62.21 O ATOM 2107 CB LYS B 608 -12.497 12.851 8.736 1.00 33.02 C ATOM 2108 CG LYS B 608 -13.843 13.540 8.500 1.00 2.52 C ATOM 2109 CD LYS B 608 -13.742 14.570 7.374 1.00 35.40 C ATOM 2110 CE LYS B 608 -12.493 15.437 7.534 1.00 71.52 C ATOM 2111 NZ LYS B 608 -12.332 15.861 8.943 1.00 1.31 N ATOM 0 H LYS B 608 -12.093 13.148 5.858 1.00 54.41 H new ATOM 0 HA LYS B 608 -11.474 11.176 7.976 1.00 40.33 H new ATOM 0 HB2 LYS B 608 -12.538 12.270 9.658 1.00 33.02 H new ATOM 0 HB3 LYS B 608 -11.718 13.602 8.867 1.00 33.02 H new ATOM 0 HG2 LYS B 608 -14.598 12.795 8.249 1.00 2.52 H new ATOM 0 HG3 LYS B 608 -14.171 14.030 9.417 1.00 2.52 H new ATOM 0 HD2 LYS B 608 -13.714 14.060 6.411 1.00 35.40 H new ATOM 0 HD3 LYS B 608 -14.630 15.202 7.374 1.00 35.40 H new ATOM 0 HE2 LYS B 608 -11.613 14.880 7.213 1.00 71.52 H new ATOM 0 HE3 LYS B 608 -12.567 16.314 6.891 1.00 71.52 H new ATOM 0 HZ1 LYS B 608 -11.997 16.845 8.973 1.00 1.31 H new ATOM 0 HZ2 LYS B 608 -13.247 15.792 9.433 1.00 1.31 H new ATOM 0 HZ3 LYS B 608 -11.639 15.245 9.414 1.00 1.31 H new ATOM 2125 N GLN B 609 -13.432 9.919 7.297 1.00 50.12 N ATOM 2126 CA GLN B 609 -14.522 9.096 6.803 1.00 30.54 C ATOM 2127 C GLN B 609 -14.962 8.098 7.876 1.00 50.42 C ATOM 2128 O GLN B 609 -14.487 8.149 9.009 1.00 51.34 O ATOM 2129 CB GLN B 609 -14.123 8.374 5.514 1.00 75.51 C ATOM 2130 CG GLN B 609 -13.971 9.362 4.356 1.00 42.52 C ATOM 2131 CD GLN B 609 -15.204 10.263 4.238 1.00 52.42 C ATOM 2132 OE1 GLN B 609 -16.321 9.871 4.533 1.00 33.24 O ATOM 2133 NE2 GLN B 609 -14.939 11.488 3.792 1.00 24.14 N ATOM 0 H GLN B 609 -12.769 9.431 7.900 1.00 50.12 H new ATOM 0 HA GLN B 609 -15.366 9.746 6.571 1.00 30.54 H new ATOM 0 HB2 GLN B 609 -13.185 7.841 5.667 1.00 75.51 H new ATOM 0 HB3 GLN B 609 -14.877 7.627 5.263 1.00 75.51 H new ATOM 0 HG2 GLN B 609 -13.082 9.974 4.510 1.00 42.52 H new ATOM 0 HG3 GLN B 609 -13.825 8.816 3.424 1.00 42.52 H new ATOM 0 HE21 GLN B 609 -13.980 11.751 3.563 1.00 24.14 H new ATOM 0 HE22 GLN B 609 -15.694 12.164 3.679 1.00 24.14 H new ATOM 2142 N GLU B 610 -15.866 7.214 7.481 1.00 74.31 N ATOM 2143 CA GLU B 610 -16.378 6.206 8.395 1.00 25.44 C ATOM 2144 C GLU B 610 -15.235 5.614 9.223 1.00 44.11 C ATOM 2145 O GLU B 610 -14.065 5.798 8.893 1.00 14.02 O ATOM 2146 CB GLU B 610 -17.132 5.111 7.638 1.00 15.33 C ATOM 2147 CG GLU B 610 -16.296 4.574 6.473 1.00 10.24 C ATOM 2148 CD GLU B 610 -17.189 3.951 5.400 1.00 3.43 C ATOM 2149 OE1 GLU B 610 -18.235 3.368 5.724 1.00 40.45 O ATOM 2150 OE2 GLU B 610 -16.763 4.088 4.190 1.00 64.00 O ATOM 0 H GLU B 610 -16.258 7.174 6.540 1.00 74.31 H new ATOM 0 HA GLU B 610 -17.085 6.683 9.074 1.00 25.44 H new ATOM 0 HB2 GLU B 610 -17.378 4.297 8.319 1.00 15.33 H new ATOM 0 HB3 GLU B 610 -18.075 5.508 7.261 1.00 15.33 H new ATOM 0 HG2 GLU B 610 -15.709 5.383 6.038 1.00 10.24 H new ATOM 0 HG3 GLU B 610 -15.589 3.830 6.840 1.00 10.24 H new ATOM 2158 N VAL B 611 -15.616 4.915 10.282 1.00 40.31 N ATOM 2159 CA VAL B 611 -14.638 4.294 11.160 1.00 23.14 C ATOM 2160 C VAL B 611 -15.189 2.962 11.668 1.00 74.53 C ATOM 2161 O VAL B 611 -16.219 2.926 12.340 1.00 54.30 O ATOM 2162 CB VAL B 611 -14.264 5.255 12.290 1.00 50.03 C ATOM 2163 CG1 VAL B 611 -13.366 6.383 11.776 1.00 5.14 C ATOM 2164 CG2 VAL B 611 -15.515 5.818 12.967 1.00 41.14 C ATOM 0 H VAL B 611 -16.588 4.765 10.552 1.00 40.31 H new ATOM 0 HA VAL B 611 -13.718 4.080 10.616 1.00 23.14 H new ATOM 0 HB VAL B 611 -13.703 4.692 13.036 1.00 50.03 H new ATOM 0 HG11 VAL B 611 -13.115 7.052 12.599 1.00 5.14 H new ATOM 0 HG12 VAL B 611 -12.452 5.959 11.361 1.00 5.14 H new ATOM 0 HG13 VAL B 611 -13.891 6.942 11.002 1.00 5.14 H new ATOM 0 HG21 VAL B 611 -15.221 6.498 13.766 1.00 41.14 H new ATOM 0 HG22 VAL B 611 -16.114 6.358 12.233 1.00 41.14 H new ATOM 0 HG23 VAL B 611 -16.102 5.000 13.384 1.00 41.14 H new ATOM 2174 N GLU B 612 -14.479 1.895 11.327 1.00 53.42 N ATOM 2175 CA GLU B 612 -14.885 0.563 11.741 1.00 32.05 C ATOM 2176 C GLU B 612 -13.945 0.035 12.828 1.00 35.50 C ATOM 2177 O GLU B 612 -14.395 -0.562 13.804 1.00 5.21 O ATOM 2178 CB GLU B 612 -14.930 -0.392 10.546 1.00 3.50 C ATOM 2179 CG GLU B 612 -13.646 -0.299 9.720 1.00 33.52 C ATOM 2180 CD GLU B 612 -13.628 -1.354 8.611 1.00 72.22 C ATOM 2181 OE1 GLU B 612 -14.300 -1.183 7.583 1.00 41.33 O ATOM 2182 OE2 GLU B 612 -12.882 -2.379 8.848 1.00 41.42 O ATOM 0 H GLU B 612 -13.626 1.927 10.769 1.00 53.42 H new ATOM 0 HA GLU B 612 -15.891 0.624 12.155 1.00 32.05 H new ATOM 0 HB2 GLU B 612 -15.067 -1.414 10.898 1.00 3.50 H new ATOM 0 HB3 GLU B 612 -15.788 -0.154 9.918 1.00 3.50 H new ATOM 0 HG2 GLU B 612 -13.563 0.696 9.282 1.00 33.52 H new ATOM 0 HG3 GLU B 612 -12.781 -0.434 10.369 1.00 33.52 H new ATOM 2190 N ARG B 613 -12.659 0.278 12.622 1.00 12.02 N ATOM 2191 CA ARG B 613 -11.653 -0.166 13.573 1.00 41.35 C ATOM 2192 C ARG B 613 -10.548 0.884 13.703 1.00 24.23 C ATOM 2193 O ARG B 613 -10.120 1.204 14.811 1.00 43.52 O ATOM 2194 CB ARG B 613 -11.034 -1.496 13.139 1.00 13.42 C ATOM 2195 CG ARG B 613 -11.082 -1.654 11.618 1.00 61.03 C ATOM 2196 CD ARG B 613 -9.987 -2.603 11.130 1.00 71.31 C ATOM 2197 NE ARG B 613 -10.453 -4.005 11.225 1.00 61.42 N ATOM 2198 CZ ARG B 613 -9.633 -5.069 11.363 1.00 10.13 C ATOM 2199 NH1 ARG B 613 -8.295 -4.898 11.425 1.00 12.10 N ATOM 2200 NH2 ARG B 613 -10.158 -6.278 11.438 1.00 25.13 N ATOM 0 H ARG B 613 -12.290 0.776 11.812 1.00 12.02 H new ATOM 0 HA ARG B 613 -12.144 -0.304 14.536 1.00 41.35 H new ATOM 0 HB2 ARG B 613 -10.000 -1.549 13.481 1.00 13.42 H new ATOM 0 HB3 ARG B 613 -11.568 -2.321 13.611 1.00 13.42 H new ATOM 0 HG2 ARG B 613 -12.058 -2.036 11.319 1.00 61.03 H new ATOM 0 HG3 ARG B 613 -10.962 -0.680 11.144 1.00 61.03 H new ATOM 0 HD2 ARG B 613 -9.723 -2.368 10.099 1.00 71.31 H new ATOM 0 HD3 ARG B 613 -9.085 -2.469 11.728 1.00 71.31 H new ATOM 0 HE ARG B 613 -11.457 -4.178 11.184 1.00 61.42 H new ATOM 0 HH11 ARG B 613 -7.897 -3.960 11.368 1.00 12.10 H new ATOM 0 HH12 ARG B 613 -7.682 -5.706 11.529 1.00 12.10 H new ATOM 0 HH21 ARG B 613 -11.170 -6.398 11.392 1.00 25.13 H new ATOM 0 HH22 ARG B 613 -9.552 -7.092 11.542 1.00 25.13 H new ATOM 2214 N LEU B 614 -10.118 1.389 12.557 1.00 54.24 N ATOM 2215 CA LEU B 614 -9.070 2.396 12.530 1.00 61.12 C ATOM 2216 C LEU B 614 -9.605 3.664 11.861 1.00 40.40 C ATOM 2217 O LEU B 614 -10.254 3.593 10.818 1.00 75.01 O ATOM 2218 CB LEU B 614 -7.807 1.839 11.871 1.00 22.24 C ATOM 2219 CG LEU B 614 -8.027 0.785 10.784 1.00 4.31 C ATOM 2220 CD1 LEU B 614 -8.383 1.442 9.448 1.00 34.05 C ATOM 2221 CD2 LEU B 614 -6.815 -0.140 10.661 1.00 23.23 C ATOM 0 H LEU B 614 -10.476 1.120 11.640 1.00 54.24 H new ATOM 0 HA LEU B 614 -8.778 2.668 13.544 1.00 61.12 H new ATOM 0 HB2 LEU B 614 -7.251 2.670 11.436 1.00 22.24 H new ATOM 0 HB3 LEU B 614 -7.177 1.405 12.648 1.00 22.24 H new ATOM 0 HG LEU B 614 -8.875 0.166 11.077 1.00 4.31 H new ATOM 0 HD11 LEU B 614 -8.534 0.671 8.692 1.00 34.05 H new ATOM 0 HD12 LEU B 614 -9.298 2.024 9.561 1.00 34.05 H new ATOM 0 HD13 LEU B 614 -7.571 2.100 9.138 1.00 34.05 H new ATOM 0 HD21 LEU B 614 -6.999 -0.879 9.881 1.00 23.23 H new ATOM 0 HD22 LEU B 614 -5.934 0.447 10.404 1.00 23.23 H new ATOM 0 HD23 LEU B 614 -6.647 -0.648 11.610 1.00 23.23 H new ATOM 2233 N GLY B 615 -9.313 4.794 12.488 1.00 40.14 N ATOM 2234 CA GLY B 615 -9.756 6.076 11.965 1.00 55.23 C ATOM 2235 C GLY B 615 -8.663 7.136 12.115 1.00 22.31 C ATOM 2236 O GLY B 615 -8.169 7.667 11.121 1.00 54.11 O ATOM 0 H GLY B 615 -8.775 4.849 13.353 1.00 40.14 H new ATOM 0 HA2 GLY B 615 -10.024 5.971 10.914 1.00 55.23 H new ATOM 0 HA3 GLY B 615 -10.654 6.397 12.492 1.00 55.23 H new ATOM 2240 N ASN B 616 -8.318 7.411 13.364 1.00 44.14 N ATOM 2241 CA ASN B 616 -7.293 8.399 13.655 1.00 32.45 C ATOM 2242 C ASN B 616 -6.153 8.260 12.642 1.00 32.00 C ATOM 2243 O ASN B 616 -5.919 9.162 11.840 1.00 44.11 O ATOM 2244 CB ASN B 616 -6.709 8.191 15.054 1.00 34.14 C ATOM 2245 CG ASN B 616 -7.807 7.842 16.060 1.00 43.35 C ATOM 2246 OD1 ASN B 616 -7.667 6.647 16.624 1.00 73.32 O flip ATOM 2247 ND2 ASN B 616 -8.724 8.610 16.308 1.00 63.11 N flip ATOM 0 H ASN B 616 -8.729 6.968 14.185 1.00 44.14 H new ATOM 0 HA ASN B 616 -7.751 9.386 13.598 1.00 32.45 H new ATOM 0 HB2 ASN B 616 -5.968 7.392 15.027 1.00 34.14 H new ATOM 0 HB3 ASN B 616 -6.192 9.095 15.374 1.00 34.14 H new ATOM 0 HD21 ASN B 616 -8.773 9.514 15.839 1.00 63.11 H new ATOM 0 HD22 ASN B 616 -9.441 8.347 16.984 1.00 63.11 H new ATOM 2254 N ASP B 617 -5.477 7.124 12.714 1.00 35.43 N ATOM 2255 CA ASP B 617 -4.368 6.854 11.814 1.00 0.54 C ATOM 2256 C ASP B 617 -4.730 5.682 10.902 1.00 31.41 C ATOM 2257 O ASP B 617 -5.499 4.802 11.290 1.00 64.21 O ATOM 2258 CB ASP B 617 -3.106 6.476 12.592 1.00 3.41 C ATOM 2259 CG ASP B 617 -1.950 7.472 12.473 1.00 34.00 C ATOM 2260 OD1 ASP B 617 -1.260 7.530 11.444 1.00 5.14 O ATOM 2261 OD2 ASP B 617 -1.766 8.220 13.508 1.00 32.53 O ATOM 0 H ASP B 617 -5.675 6.379 13.382 1.00 35.43 H new ATOM 0 HA ASP B 617 -4.177 7.757 11.235 1.00 0.54 H new ATOM 0 HB2 ASP B 617 -3.365 6.368 13.645 1.00 3.41 H new ATOM 0 HB3 ASP B 617 -2.763 5.501 12.246 1.00 3.41 H new ATOM 2267 N VAL B 618 -4.161 5.705 9.706 1.00 60.45 N ATOM 2268 CA VAL B 618 -4.415 4.654 8.735 1.00 71.01 C ATOM 2269 C VAL B 618 -4.307 3.291 9.425 1.00 52.14 C ATOM 2270 O VAL B 618 -4.966 2.335 9.023 1.00 72.10 O ATOM 2271 CB VAL B 618 -3.463 4.799 7.545 1.00 63.33 C ATOM 2272 CG1 VAL B 618 -3.598 3.613 6.587 1.00 61.31 C ATOM 2273 CG2 VAL B 618 -3.698 6.124 6.815 1.00 73.24 C ATOM 0 H VAL B 618 -3.524 6.435 9.387 1.00 60.45 H new ATOM 0 HA VAL B 618 -5.426 4.738 8.337 1.00 71.01 H new ATOM 0 HB VAL B 618 -2.443 4.804 7.929 1.00 63.33 H new ATOM 0 HG11 VAL B 618 -2.911 3.741 5.751 1.00 61.31 H new ATOM 0 HG12 VAL B 618 -3.359 2.690 7.115 1.00 61.31 H new ATOM 0 HG13 VAL B 618 -4.620 3.563 6.212 1.00 61.31 H new ATOM 0 HG21 VAL B 618 -3.009 6.203 5.974 1.00 73.24 H new ATOM 0 HG22 VAL B 618 -4.724 6.161 6.449 1.00 73.24 H new ATOM 0 HG23 VAL B 618 -3.528 6.953 7.502 1.00 73.24 H new ATOM 2283 N PHE B 619 -3.469 3.248 10.451 1.00 25.44 N ATOM 2284 CA PHE B 619 -3.266 2.020 11.199 1.00 11.22 C ATOM 2285 C PHE B 619 -3.803 2.151 12.625 1.00 72.23 C ATOM 2286 O PHE B 619 -4.785 1.502 12.986 1.00 20.52 O ATOM 2287 CB PHE B 619 -1.757 1.775 11.256 1.00 22.20 C ATOM 2288 CG PHE B 619 -1.114 1.533 9.888 1.00 3.55 C ATOM 2289 CD1 PHE B 619 -1.106 2.524 8.956 1.00 44.43 C ATOM 2290 CD2 PHE B 619 -0.550 0.328 9.605 1.00 21.51 C ATOM 2291 CE1 PHE B 619 -0.509 2.298 7.687 1.00 2.14 C ATOM 2292 CE2 PHE B 619 0.046 0.104 8.337 1.00 51.22 C ATOM 2293 CZ PHE B 619 0.054 1.094 7.404 1.00 0.11 C ATOM 0 H PHE B 619 -2.923 4.044 10.781 1.00 25.44 H new ATOM 0 HA PHE B 619 -3.794 1.198 10.715 1.00 11.22 H new ATOM 0 HB2 PHE B 619 -1.277 2.634 11.725 1.00 22.20 H new ATOM 0 HB3 PHE B 619 -1.563 0.913 11.895 1.00 22.20 H new ATOM 0 HD1 PHE B 619 -1.553 3.481 9.181 1.00 44.43 H new ATOM 0 HD2 PHE B 619 -0.556 -0.458 10.345 1.00 21.51 H new ATOM 0 HE1 PHE B 619 -0.503 3.084 6.946 1.00 2.14 H new ATOM 0 HE2 PHE B 619 0.494 -0.853 8.112 1.00 51.22 H new ATOM 0 HZ PHE B 619 0.508 0.923 6.439 1.00 0.11 H new ATOM 2303 N GLU B 620 -3.137 2.998 13.399 1.00 25.21 N ATOM 2304 CA GLU B 620 -3.536 3.222 14.778 1.00 20.41 C ATOM 2305 C GLU B 620 -3.742 1.887 15.496 1.00 10.51 C ATOM 2306 O GLU B 620 -4.607 1.771 16.362 1.00 10.54 O ATOM 2307 CB GLU B 620 -4.798 4.083 14.850 1.00 32.30 C ATOM 2308 CG GLU B 620 -6.023 3.305 14.363 1.00 52.04 C ATOM 2309 CD GLU B 620 -7.313 3.922 14.903 1.00 45.41 C ATOM 2310 OE1 GLU B 620 -7.589 5.105 14.651 1.00 45.45 O ATOM 2311 OE2 GLU B 620 -8.046 3.126 15.607 1.00 53.42 O ATOM 0 H GLU B 620 -2.325 3.536 13.097 1.00 25.21 H new ATOM 0 HA GLU B 620 -2.736 3.764 15.283 1.00 20.41 H new ATOM 0 HB2 GLU B 620 -4.958 4.415 15.876 1.00 32.30 H new ATOM 0 HB3 GLU B 620 -4.667 4.978 14.242 1.00 32.30 H new ATOM 0 HG2 GLU B 620 -6.046 3.301 13.273 1.00 52.04 H new ATOM 0 HG3 GLU B 620 -5.950 2.266 14.684 1.00 52.04 H new ATOM 2319 N TRP B 621 -2.932 0.913 15.109 1.00 11.35 N ATOM 2320 CA TRP B 621 -3.015 -0.411 15.705 1.00 24.13 C ATOM 2321 C TRP B 621 -1.598 -0.983 15.781 1.00 42.02 C ATOM 2322 O TRP B 621 -0.700 -0.524 15.076 1.00 11.11 O ATOM 2323 CB TRP B 621 -3.980 -1.304 14.923 1.00 73.32 C ATOM 2324 CG TRP B 621 -3.291 -2.268 13.954 1.00 45.15 C ATOM 2325 CD1 TRP B 621 -2.542 -3.339 14.251 1.00 51.44 C ATOM 2326 CD2 TRP B 621 -3.317 -2.203 12.514 1.00 21.22 C ATOM 2327 NE1 TRP B 621 -2.086 -3.968 13.110 1.00 63.02 N ATOM 2328 CE2 TRP B 621 -2.572 -3.255 12.019 1.00 20.41 C ATOM 2329 CE3 TRP B 621 -3.949 -1.286 11.656 1.00 41.52 C ATOM 2330 CZ2 TRP B 621 -2.389 -3.490 10.652 1.00 31.15 C ATOM 2331 CZ3 TRP B 621 -3.756 -1.534 10.291 1.00 32.13 C ATOM 2332 CH2 TRP B 621 -3.010 -2.589 9.777 1.00 64.22 C ATOM 0 H TRP B 621 -2.215 1.013 14.390 1.00 11.35 H new ATOM 0 HA TRP B 621 -3.423 -0.356 16.714 1.00 24.13 H new ATOM 0 HB2 TRP B 621 -4.578 -1.880 15.629 1.00 73.32 H new ATOM 0 HB3 TRP B 621 -4.669 -0.673 14.362 1.00 73.32 H new ATOM 0 HD1 TRP B 621 -2.323 -3.668 15.256 1.00 51.44 H new ATOM 0 HE1 TRP B 621 -1.500 -4.802 13.074 1.00 63.02 H new ATOM 0 HE3 TRP B 621 -4.537 -0.456 12.020 1.00 41.52 H new ATOM 0 HZ2 TRP B 621 -1.801 -4.321 10.291 1.00 31.15 H new ATOM 0 HZ3 TRP B 621 -4.219 -0.858 9.588 1.00 32.13 H new ATOM 0 HH2 TRP B 621 -2.910 -2.713 8.709 1.00 64.22 H new ATOM 2343 N GLU B 622 -1.442 -1.977 16.643 1.00 25.53 N ATOM 2344 CA GLU B 622 -0.150 -2.618 16.820 1.00 41.33 C ATOM 2345 C GLU B 622 0.537 -2.814 15.467 1.00 13.42 C ATOM 2346 O GLU B 622 -0.110 -2.739 14.423 1.00 1.24 O ATOM 2347 CB GLU B 622 -0.296 -3.951 17.558 1.00 62.13 C ATOM 2348 CG GLU B 622 1.006 -4.329 18.268 1.00 34.31 C ATOM 2349 CD GLU B 622 1.492 -3.188 19.164 1.00 41.32 C ATOM 2350 OE1 GLU B 622 2.255 -2.324 18.708 1.00 64.15 O ATOM 2351 OE2 GLU B 622 1.051 -3.221 20.376 1.00 44.04 O ATOM 0 H GLU B 622 -2.189 -2.354 17.226 1.00 25.53 H new ATOM 0 HA GLU B 622 0.475 -1.967 17.431 1.00 41.33 H new ATOM 0 HB2 GLU B 622 -1.105 -3.881 18.286 1.00 62.13 H new ATOM 0 HB3 GLU B 622 -0.570 -4.734 16.851 1.00 62.13 H new ATOM 0 HG2 GLU B 622 0.851 -5.226 18.867 1.00 34.31 H new ATOM 0 HG3 GLU B 622 1.771 -4.568 17.529 1.00 34.31 H new ATOM 2359 N ASP B 623 1.837 -3.059 15.529 1.00 21.43 N ATOM 2360 CA ASP B 623 2.618 -3.265 14.322 1.00 72.32 C ATOM 2361 C ASP B 623 2.446 -2.058 13.397 1.00 14.13 C ATOM 2362 O ASP B 623 2.161 -2.216 12.210 1.00 14.44 O ATOM 2363 CB ASP B 623 2.148 -4.510 13.566 1.00 24.22 C ATOM 2364 CG ASP B 623 1.486 -5.581 14.437 1.00 54.21 C ATOM 2365 OD1 ASP B 623 1.870 -5.789 15.597 1.00 4.31 O ATOM 2366 OD2 ASP B 623 0.525 -6.226 13.868 1.00 14.51 O ATOM 0 H ASP B 623 2.369 -3.120 16.397 1.00 21.43 H new ATOM 0 HA ASP B 623 3.661 -3.393 14.613 1.00 72.32 H new ATOM 0 HB2 ASP B 623 1.443 -4.204 12.794 1.00 24.22 H new ATOM 0 HB3 ASP B 623 3.004 -4.954 13.058 1.00 24.22 H new ATOM 2372 N ASP B 624 2.628 -0.880 13.974 1.00 63.21 N ATOM 2373 CA ASP B 624 2.497 0.353 13.216 1.00 2.44 C ATOM 2374 C ASP B 624 3.396 0.286 11.981 1.00 5.53 C ATOM 2375 O ASP B 624 2.912 0.328 10.851 1.00 43.52 O ATOM 2376 CB ASP B 624 2.926 1.561 14.051 1.00 43.24 C ATOM 2377 CG ASP B 624 3.377 2.779 13.241 1.00 11.11 C ATOM 2378 OD1 ASP B 624 3.137 2.863 12.028 1.00 61.32 O ATOM 2379 OD2 ASP B 624 4.009 3.679 13.916 1.00 24.20 O ATOM 0 H ASP B 624 2.865 -0.753 14.958 1.00 63.21 H new ATOM 0 HA ASP B 624 1.450 0.465 12.932 1.00 2.44 H new ATOM 0 HB2 ASP B 624 2.094 1.856 14.690 1.00 43.24 H new ATOM 0 HB3 ASP B 624 3.741 1.258 14.708 1.00 43.24 H new ATOM 2385 N GLU B 625 4.693 0.183 12.240 1.00 20.02 N ATOM 2386 CA GLU B 625 5.666 0.110 11.162 1.00 44.10 C ATOM 2387 C GLU B 625 6.429 -1.214 11.226 1.00 71.11 C ATOM 2388 O GLU B 625 7.198 -1.536 10.321 1.00 31.20 O ATOM 2389 CB GLU B 625 6.628 1.300 11.210 1.00 13.31 C ATOM 2390 CG GLU B 625 7.297 1.408 12.582 1.00 75.10 C ATOM 2391 CD GLU B 625 8.252 0.237 12.820 1.00 32.24 C ATOM 2392 OE1 GLU B 625 8.887 -0.249 11.870 1.00 75.01 O ATOM 2393 OE2 GLU B 625 8.326 -0.170 14.041 1.00 11.44 O ATOM 0 H GLU B 625 5.091 0.148 13.178 1.00 20.02 H new ATOM 0 HA GLU B 625 5.132 0.154 10.213 1.00 44.10 H new ATOM 0 HB2 GLU B 625 7.389 1.188 10.438 1.00 13.31 H new ATOM 0 HB3 GLU B 625 6.086 2.220 10.992 1.00 13.31 H new ATOM 0 HG2 GLU B 625 7.844 2.348 12.651 1.00 75.10 H new ATOM 0 HG3 GLU B 625 6.535 1.425 13.362 1.00 75.10 H new ATOM 2401 N SER B 626 6.191 -1.947 12.303 1.00 3.43 N ATOM 2402 CA SER B 626 6.846 -3.230 12.497 1.00 72.44 C ATOM 2403 C SER B 626 7.006 -3.943 11.153 1.00 60.04 C ATOM 2404 O SER B 626 6.099 -3.922 10.322 1.00 70.54 O ATOM 2405 CB SER B 626 6.061 -4.107 13.473 1.00 35.15 C ATOM 2406 OG SER B 626 6.823 -5.227 13.916 1.00 4.03 O ATOM 0 H SER B 626 5.553 -1.677 13.052 1.00 3.43 H new ATOM 0 HA SER B 626 7.832 -3.050 12.926 1.00 72.44 H new ATOM 0 HB2 SER B 626 5.759 -3.511 14.334 1.00 35.15 H new ATOM 0 HB3 SER B 626 5.148 -4.457 12.992 1.00 35.15 H new ATOM 0 HG SER B 626 6.287 -5.761 14.539 1.00 4.03 H new ATOM 2412 N ASP B 627 8.166 -4.558 10.980 1.00 24.54 N ATOM 2413 CA ASP B 627 8.459 -5.276 9.751 1.00 32.12 C ATOM 2414 C ASP B 627 7.757 -6.637 9.783 1.00 14.14 C ATOM 2415 O ASP B 627 7.885 -7.426 8.848 1.00 24.25 O ATOM 2416 CB ASP B 627 9.961 -5.521 9.598 1.00 1.41 C ATOM 2417 CG ASP B 627 10.680 -5.948 10.881 1.00 61.45 C ATOM 2418 OD1 ASP B 627 10.084 -6.578 11.767 1.00 61.00 O ATOM 2419 OD2 ASP B 627 11.922 -5.603 10.950 1.00 21.33 O ATOM 0 H ASP B 627 8.916 -4.574 11.672 1.00 24.54 H new ATOM 0 HA ASP B 627 8.108 -4.671 8.915 1.00 32.12 H new ATOM 0 HB2 ASP B 627 10.113 -6.290 8.841 1.00 1.41 H new ATOM 0 HB3 ASP B 627 10.427 -4.609 9.224 1.00 1.41 H new ATOM 2425 N GLU B 628 7.035 -6.870 10.869 1.00 14.44 N ATOM 2426 CA GLU B 628 6.316 -8.120 11.035 1.00 65.14 C ATOM 2427 C GLU B 628 5.433 -8.391 9.815 1.00 32.14 C ATOM 2428 O GLU B 628 5.028 -9.529 9.578 1.00 70.04 O ATOM 2429 CB GLU B 628 5.486 -8.109 12.319 1.00 14.41 C ATOM 2430 CG GLU B 628 4.254 -7.213 12.170 1.00 3.20 C ATOM 2431 CD GLU B 628 3.284 -7.415 13.336 1.00 42.30 C ATOM 2432 OE1 GLU B 628 2.145 -7.856 13.124 1.00 1.42 O ATOM 2433 OE2 GLU B 628 3.751 -7.097 14.496 1.00 3.33 O ATOM 0 H GLU B 628 6.933 -6.213 11.643 1.00 14.44 H new ATOM 0 HA GLU B 628 7.045 -8.926 11.119 1.00 65.14 H new ATOM 0 HB2 GLU B 628 5.174 -9.124 12.563 1.00 14.41 H new ATOM 0 HB3 GLU B 628 6.098 -7.756 13.149 1.00 14.41 H new ATOM 0 HG2 GLU B 628 4.563 -6.169 12.126 1.00 3.20 H new ATOM 0 HG3 GLU B 628 3.749 -7.436 11.230 1.00 3.20 H new ATOM 2441 N ILE B 629 5.161 -7.327 9.073 1.00 24.41 N ATOM 2442 CA ILE B 629 4.335 -7.436 7.883 1.00 43.42 C ATOM 2443 C ILE B 629 5.229 -7.693 6.668 1.00 31.11 C ATOM 2444 O ILE B 629 4.909 -7.271 5.558 1.00 23.45 O ATOM 2445 CB ILE B 629 3.440 -6.204 7.739 1.00 50.14 C ATOM 2446 CG1 ILE B 629 4.235 -4.918 7.972 1.00 52.51 C ATOM 2447 CG2 ILE B 629 2.222 -6.300 8.661 1.00 41.43 C ATOM 2448 CD1 ILE B 629 5.551 -4.939 7.191 1.00 61.41 C ATOM 0 H ILE B 629 5.498 -6.385 9.273 1.00 24.41 H new ATOM 0 HA ILE B 629 3.658 -8.286 7.965 1.00 43.42 H new ATOM 0 HB ILE B 629 3.067 -6.171 6.715 1.00 50.14 H new ATOM 0 HG12 ILE B 629 3.640 -4.058 7.666 1.00 52.51 H new ATOM 0 HG13 ILE B 629 4.441 -4.801 9.036 1.00 52.51 H new ATOM 0 HG21 ILE B 629 1.602 -5.412 8.539 1.00 41.43 H new ATOM 0 HG22 ILE B 629 1.641 -7.186 8.405 1.00 41.43 H new ATOM 0 HG23 ILE B 629 2.554 -6.371 9.697 1.00 41.43 H new ATOM 0 HD11 ILE B 629 6.097 -4.014 7.374 1.00 61.41 H new ATOM 0 HD12 ILE B 629 6.154 -5.787 7.517 1.00 61.41 H new ATOM 0 HD13 ILE B 629 5.340 -5.032 6.126 1.00 61.41 H new ATOM 2460 N ALA B 630 6.331 -8.384 6.919 1.00 41.41 N ATOM 2461 CA ALA B 630 7.273 -8.702 5.859 1.00 34.31 C ATOM 2462 C ALA B 630 6.802 -9.958 5.124 1.00 73.25 C ATOM 2463 O ALA B 630 7.582 -10.883 4.905 1.00 11.20 O ATOM 2464 CB ALA B 630 8.673 -8.865 6.453 1.00 15.34 C ATOM 0 H ALA B 630 6.593 -8.733 7.841 1.00 41.41 H new ATOM 0 HA ALA B 630 7.320 -7.892 5.131 1.00 34.31 H new ATOM 0 HB1 ALA B 630 9.380 -9.104 5.658 1.00 15.34 H new ATOM 0 HB2 ALA B 630 8.973 -7.936 6.938 1.00 15.34 H new ATOM 0 HB3 ALA B 630 8.666 -9.672 7.186 1.00 15.34 H new TER 2470 ALA B 630