USER MOD reduce.3.24.130724 H: found=0, std=0, add=947, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 941 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 114 TYR OH : rot 170:sc= 0.128 USER MOD Set 1.2: A 119 THR OG1 : rot 180:sc= 0.125 USER MOD Set 2.1: A 8 SER OG : rot 128:sc= 0.0864 USER MOD Set 2.2: A 10 CYS SG : rot 180:sc=-0.00652 USER MOD Single : A 1 GLY N :NH3+ -106:sc= 0.0605 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.276 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 MET CE :methyl -139:sc= -1 (180deg=-3.33!) USER MOD Single : A 15 LYS NZ :NH3+ -158:sc= -0.681 (180deg=-1.39!) USER MOD Single : A 23 SER OG : rot 180:sc= -0.205 USER MOD Single : A 27 ASN : amide:sc= -3.39 X(o=-3.4,f=-3.8!) USER MOD Single : A 31 HIS : no HD1:sc= -0.222 X(o=-0.22,f=-0.0088) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= -1.43 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 108:sc= -0.149 USER MOD Single : A 50 SER OG : rot 107:sc= 0.109 USER MOD Single : A 52 SER OG : rot -39:sc= 0.384 USER MOD Single : A 56 HIS : no HD1:sc= -0.127 X(o=-0.13,f=-0.00045) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot -63:sc= -0.549 USER MOD Single : A 70 LYS NZ :NH3+ -126:sc= 0.786 (180deg=-0.0828) USER MOD Single : A 75 THR OG1 : rot 132:sc= 1.25 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= -0.386 USER MOD Single : A 78 TYR OH : rot 148:sc= 0.144 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 MET CE :methyl -162:sc= -0.387 (180deg=-1.86) USER MOD Single : A 88 HIS : no HD1:sc= -0.259 X(o=-0.26,f=-0.056) USER MOD Single : A 90 HIS : no HD1:sc= -0.442 X(o=-0.44,f=-0.65) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 ASN : amide:sc= -0.126 X(o=-0.13,f=-0.11) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 THR OG1 : rot -170:sc= -0.514 USER MOD Single : A 110 MET CE :methyl -139:sc= -3.73! (180deg=-10.9!) USER MOD Single : A 112 SER OG : rot 180:sc= 0.121 USER MOD Single : A 115 SER OG : rot 180:sc= 0.0297 USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0.033 USER MOD Single : A 118 THR OG1 : rot -33:sc= -0.117! USER MOD Single : A 123 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 ASN : amide:sc= -0.0411 K(o=-0.041,f=-1.4!) USER MOD Single : A 126 LYS NZ :NH3+ -165:sc= -0.0688 (180deg=-0.384) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -3.961 5.926 4.966 1.00 61.14 N ATOM 2 CA GLY A 1 -3.014 5.015 4.350 1.00 32.12 C ATOM 3 C GLY A 1 -2.252 4.194 5.371 1.00 34.20 C ATOM 4 O GLY A 1 -2.410 4.365 6.580 1.00 34.12 O ATOM 0 H1 GLY A 1 -4.927 5.566 4.830 1.00 61.14 H new ATOM 0 H2 GLY A 1 -3.759 6.001 5.983 1.00 61.14 H new ATOM 0 H3 GLY A 1 -3.876 6.865 4.526 1.00 61.14 H new ATOM 0 HA2 GLY A 1 -3.546 4.346 3.674 1.00 32.12 H new ATOM 0 HA3 GLY A 1 -2.308 5.584 3.745 1.00 32.12 H new ATOM 8 N PRO A 2 -1.406 3.275 4.884 1.00 40.13 N ATOM 9 CA PRO A 2 -0.601 2.405 5.745 1.00 12.23 C ATOM 10 C PRO A 2 0.496 3.168 6.479 1.00 60.11 C ATOM 11 O PRO A 2 0.540 4.399 6.446 1.00 13.32 O ATOM 12 CB PRO A 2 0.012 1.401 4.764 1.00 65.30 C ATOM 13 CG PRO A 2 0.038 2.118 3.458 1.00 53.50 C ATOM 14 CD PRO A 2 -1.167 3.016 3.454 1.00 2.22 C ATOM 0 HA PRO A 2 -1.200 1.944 6.530 1.00 12.23 H new ATOM 0 HB2 PRO A 2 1.014 1.106 5.074 1.00 65.30 H new ATOM 0 HB3 PRO A 2 -0.584 0.491 4.704 1.00 65.30 H new ATOM 0 HG2 PRO A 2 0.956 2.696 3.349 1.00 53.50 H new ATOM 0 HG3 PRO A 2 0.003 1.415 2.626 1.00 53.50 H new ATOM 0 HD2 PRO A 2 -0.979 3.938 2.905 1.00 2.22 H new ATOM 0 HD3 PRO A 2 -2.025 2.535 2.984 1.00 2.22 H new ATOM 22 N THR A 3 1.381 2.432 7.143 1.00 14.22 N ATOM 23 CA THR A 3 2.477 3.040 7.887 1.00 30.12 C ATOM 24 C THR A 3 3.262 4.010 7.013 1.00 52.42 C ATOM 25 O THR A 3 3.527 5.145 7.410 1.00 64.13 O ATOM 26 CB THR A 3 3.440 1.973 8.442 1.00 60.14 C ATOM 27 OG1 THR A 3 4.142 1.340 7.365 1.00 65.23 O ATOM 28 CG2 THR A 3 2.684 0.926 9.245 1.00 54.24 C ATOM 0 H THR A 3 1.360 1.413 7.181 1.00 14.22 H new ATOM 0 HA THR A 3 2.030 3.584 8.719 1.00 30.12 H new ATOM 0 HB THR A 3 4.154 2.467 9.101 1.00 60.14 H new ATOM 0 HG1 THR A 3 4.753 0.664 7.725 1.00 65.23 H new ATOM 0 HG21 THR A 3 3.385 0.184 9.626 1.00 54.24 H new ATOM 0 HG22 THR A 3 2.174 1.406 10.080 1.00 54.24 H new ATOM 0 HG23 THR A 3 1.950 0.437 8.605 1.00 54.24 H new ATOM 36 N GLY A 4 3.631 3.559 5.818 1.00 41.43 N ATOM 37 CA GLY A 4 4.383 4.401 4.906 1.00 44.14 C ATOM 38 C GLY A 4 5.619 3.712 4.365 1.00 45.21 C ATOM 39 O GLY A 4 6.729 3.945 4.842 1.00 55.11 O ATOM 0 H GLY A 4 3.422 2.625 5.465 1.00 41.43 H new ATOM 0 HA2 GLY A 4 3.742 4.694 4.075 1.00 44.14 H new ATOM 0 HA3 GLY A 4 4.677 5.316 5.420 1.00 44.14 H new ATOM 43 N THR A 5 5.428 2.857 3.364 1.00 31.41 N ATOM 44 CA THR A 5 6.536 2.130 2.758 1.00 22.34 C ATOM 45 C THR A 5 6.305 1.920 1.266 1.00 31.32 C ATOM 46 O THR A 5 5.167 1.897 0.800 1.00 14.22 O ATOM 47 CB THR A 5 6.742 0.759 3.432 1.00 73.45 C ATOM 48 OG1 THR A 5 5.680 -0.130 3.069 1.00 5.02 O ATOM 49 CG2 THR A 5 6.797 0.903 4.945 1.00 64.33 C ATOM 0 H THR A 5 4.516 2.652 2.956 1.00 31.41 H new ATOM 0 HA THR A 5 7.430 2.737 2.902 1.00 22.34 H new ATOM 0 HB THR A 5 7.691 0.348 3.088 1.00 73.45 H new ATOM 0 HG1 THR A 5 5.819 -0.999 3.500 1.00 5.02 H new ATOM 0 HG21 THR A 5 6.943 -0.077 5.399 1.00 64.33 H new ATOM 0 HG22 THR A 5 7.626 1.556 5.218 1.00 64.33 H new ATOM 0 HG23 THR A 5 5.862 1.333 5.304 1.00 64.33 H new ATOM 57 N GLY A 6 7.395 1.766 0.519 1.00 71.40 N ATOM 58 CA GLY A 6 7.289 1.559 -0.913 1.00 40.22 C ATOM 59 C GLY A 6 7.609 2.813 -1.705 1.00 10.15 C ATOM 60 O GLY A 6 8.414 2.778 -2.634 1.00 53.20 O ATOM 0 H GLY A 6 8.349 1.781 0.881 1.00 71.40 H new ATOM 0 HA2 GLY A 6 7.967 0.760 -1.213 1.00 40.22 H new ATOM 0 HA3 GLY A 6 6.279 1.227 -1.155 1.00 40.22 H new ATOM 64 N GLU A 7 6.974 3.921 -1.336 1.00 40.40 N ATOM 65 CA GLU A 7 7.194 5.190 -2.021 1.00 12.15 C ATOM 66 C GLU A 7 7.148 6.355 -1.036 1.00 51.21 C ATOM 67 O GLU A 7 6.350 6.358 -0.099 1.00 21.41 O ATOM 68 CB GLU A 7 6.144 5.392 -3.116 1.00 43.22 C ATOM 69 CG GLU A 7 6.636 6.231 -4.283 1.00 35.11 C ATOM 70 CD GLU A 7 7.221 5.391 -5.400 1.00 70.21 C ATOM 71 OE1 GLU A 7 8.303 4.800 -5.194 1.00 72.12 O1- ATOM 72 OE2 GLU A 7 6.599 5.322 -6.481 1.00 64.44 O ATOM 0 H GLU A 7 6.304 3.966 -0.568 1.00 40.40 H new ATOM 0 HA GLU A 7 8.184 5.161 -2.477 1.00 12.15 H new ATOM 0 HB2 GLU A 7 5.827 4.418 -3.488 1.00 43.22 H new ATOM 0 HB3 GLU A 7 5.265 5.869 -2.682 1.00 43.22 H new ATOM 0 HG2 GLU A 7 5.809 6.823 -4.674 1.00 35.11 H new ATOM 0 HG3 GLU A 7 7.391 6.933 -3.928 1.00 35.11 H new ATOM 79 N SER A 8 8.011 7.341 -1.256 1.00 30.32 N ATOM 80 CA SER A 8 8.074 8.510 -0.386 1.00 50.54 C ATOM 81 C SER A 8 8.835 9.648 -1.060 1.00 74.54 C ATOM 82 O SER A 8 9.132 9.592 -2.252 1.00 32.03 O ATOM 83 CB SER A 8 8.742 8.149 0.941 1.00 2.22 C ATOM 84 OG SER A 8 10.114 7.844 0.756 1.00 41.42 O ATOM 0 H SER A 8 8.676 7.354 -2.029 1.00 30.32 H new ATOM 0 HA SER A 8 7.055 8.843 -0.192 1.00 50.54 H new ATOM 0 HB2 SER A 8 8.642 8.980 1.640 1.00 2.22 H new ATOM 0 HB3 SER A 8 8.233 7.294 1.387 1.00 2.22 H new ATOM 0 HG SER A 8 10.654 8.373 1.380 1.00 41.42 H new ATOM 90 N LYS A 9 9.149 10.681 -0.285 1.00 25.14 N ATOM 91 CA LYS A 9 9.876 11.833 -0.802 1.00 4.14 C ATOM 92 C LYS A 9 11.383 11.620 -0.692 1.00 50.55 C ATOM 93 O LYS A 9 12.092 11.604 -1.699 1.00 2.11 O ATOM 94 CB LYS A 9 9.473 13.100 -0.044 1.00 2.34 C ATOM 95 CG LYS A 9 8.015 13.117 0.381 1.00 10.32 C ATOM 96 CD LYS A 9 7.084 13.037 -0.818 1.00 40.34 C ATOM 97 CE LYS A 9 5.663 12.695 -0.398 1.00 14.34 C ATOM 98 NZ LYS A 9 4.695 12.881 -1.515 1.00 60.34 N1+ ATOM 0 H LYS A 9 8.911 10.743 0.705 1.00 25.14 H new ATOM 0 HA LYS A 9 9.619 11.950 -1.855 1.00 4.14 H new ATOM 0 HB2 LYS A 9 10.102 13.199 0.841 1.00 2.34 H new ATOM 0 HB3 LYS A 9 9.669 13.968 -0.674 1.00 2.34 H new ATOM 0 HG2 LYS A 9 7.820 12.279 1.051 1.00 10.32 H new ATOM 0 HG3 LYS A 9 7.809 14.028 0.943 1.00 10.32 H new ATOM 0 HD2 LYS A 9 7.089 13.990 -1.348 1.00 40.34 H new ATOM 0 HD3 LYS A 9 7.450 12.283 -1.515 1.00 40.34 H new ATOM 0 HE2 LYS A 9 5.625 11.662 -0.053 1.00 14.34 H new ATOM 0 HE3 LYS A 9 5.372 13.323 0.444 1.00 14.34 H new ATOM 0 HZ1 LYS A 9 3.738 12.638 -1.189 1.00 60.34 H new ATOM 0 HZ2 LYS A 9 4.713 13.873 -1.828 1.00 60.34 H new ATOM 0 HZ3 LYS A 9 4.958 12.263 -2.309 1.00 60.34 H new ATOM 112 N CYS A 10 11.864 11.454 0.535 1.00 54.34 N ATOM 113 CA CYS A 10 13.286 11.241 0.776 1.00 63.03 C ATOM 114 C CYS A 10 13.828 10.127 -0.115 1.00 10.52 C ATOM 115 O CYS A 10 13.532 8.947 0.075 1.00 12.21 O ATOM 116 CB CYS A 10 13.530 10.898 2.246 1.00 2.32 C ATOM 117 SG CYS A 10 12.448 9.600 2.891 1.00 4.01 S ATOM 0 H CYS A 10 11.290 11.463 1.378 1.00 54.34 H new ATOM 0 HA CYS A 10 13.812 12.164 0.534 1.00 63.03 H new ATOM 0 HB2 CYS A 10 14.567 10.585 2.368 1.00 2.32 H new ATOM 0 HB3 CYS A 10 13.396 11.799 2.845 1.00 2.32 H new ATOM 0 HG CYS A 10 12.732 9.379 4.140 1.00 4.01 H new ATOM 123 N PRO A 11 14.638 10.510 -1.112 1.00 53.44 N ATOM 124 CA PRO A 11 15.238 9.559 -2.055 1.00 54.45 C ATOM 125 C PRO A 11 16.298 8.682 -1.397 1.00 45.03 C ATOM 126 O PRO A 11 16.614 7.598 -1.888 1.00 23.34 O ATOM 127 CB PRO A 11 15.873 10.462 -3.115 1.00 72.55 C ATOM 128 CG PRO A 11 16.137 11.747 -2.408 1.00 3.34 C ATOM 129 CD PRO A 11 15.034 11.899 -1.399 1.00 61.21 C ATOM 0 HA PRO A 11 14.501 8.863 -2.456 1.00 54.45 H new ATOM 0 HB2 PRO A 11 16.794 10.028 -3.505 1.00 72.55 H new ATOM 0 HB3 PRO A 11 15.205 10.607 -3.964 1.00 72.55 H new ATOM 0 HG2 PRO A 11 17.112 11.731 -1.921 1.00 3.34 H new ATOM 0 HG3 PRO A 11 16.144 12.583 -3.107 1.00 3.34 H new ATOM 0 HD2 PRO A 11 15.379 12.412 -0.501 1.00 61.21 H new ATOM 0 HD3 PRO A 11 14.202 12.479 -1.798 1.00 61.21 H new ATOM 137 N LEU A 12 16.844 9.158 -0.284 1.00 63.12 N ATOM 138 CA LEU A 12 17.870 8.415 0.443 1.00 52.33 C ATOM 139 C LEU A 12 17.306 7.825 1.731 1.00 2.43 C ATOM 140 O LEU A 12 16.900 8.556 2.634 1.00 13.02 O ATOM 141 CB LEU A 12 19.056 9.327 0.762 1.00 40.22 C ATOM 142 CG LEU A 12 20.360 8.623 1.143 1.00 11.33 C ATOM 143 CD1 LEU A 12 20.245 7.998 2.524 1.00 73.42 C ATOM 144 CD2 LEU A 12 20.718 7.569 0.106 1.00 15.23 C ATOM 0 H LEU A 12 16.595 10.054 0.135 1.00 63.12 H new ATOM 0 HA LEU A 12 18.209 7.596 -0.191 1.00 52.33 H new ATOM 0 HB2 LEU A 12 19.247 9.958 -0.106 1.00 40.22 H new ATOM 0 HB3 LEU A 12 18.771 9.988 1.580 1.00 40.22 H new ATOM 0 HG LEU A 12 21.158 9.365 1.169 1.00 11.33 H new ATOM 0 HD11 LEU A 12 21.182 7.502 2.778 1.00 73.42 H new ATOM 0 HD12 LEU A 12 20.035 8.775 3.259 1.00 73.42 H new ATOM 0 HD13 LEU A 12 19.435 7.268 2.527 1.00 73.42 H new ATOM 0 HD21 LEU A 12 21.648 7.078 0.392 1.00 15.23 H new ATOM 0 HD22 LEU A 12 19.920 6.829 0.049 1.00 15.23 H new ATOM 0 HD23 LEU A 12 20.843 8.044 -0.867 1.00 15.23 H new ATOM 156 N MET A 13 17.285 6.499 1.808 1.00 61.20 N ATOM 157 CA MET A 13 16.775 5.810 2.987 1.00 22.34 C ATOM 158 C MET A 13 17.649 4.611 3.338 1.00 2.51 C ATOM 159 O MET A 13 18.240 3.982 2.460 1.00 53.15 O ATOM 160 CB MET A 13 15.333 5.353 2.753 1.00 74.34 C ATOM 161 CG MET A 13 15.191 4.346 1.624 1.00 62.10 C ATOM 162 SD MET A 13 13.899 3.129 1.938 1.00 31.34 S ATOM 163 CE MET A 13 14.577 2.276 3.359 1.00 60.31 C ATOM 0 H MET A 13 17.615 5.880 1.068 1.00 61.20 H new ATOM 0 HA MET A 13 16.797 6.509 3.823 1.00 22.34 H new ATOM 0 HB2 MET A 13 14.946 4.913 3.672 1.00 74.34 H new ATOM 0 HB3 MET A 13 14.716 6.224 2.532 1.00 74.34 H new ATOM 0 HG2 MET A 13 14.969 4.874 0.697 1.00 62.10 H new ATOM 0 HG3 MET A 13 16.141 3.832 1.479 1.00 62.10 H new ATOM 0 HE1 MET A 13 14.403 1.205 3.257 1.00 60.31 H new ATOM 0 HE2 MET A 13 15.649 2.466 3.420 1.00 60.31 H new ATOM 0 HE3 MET A 13 14.092 2.638 4.266 1.00 60.31 H new ATOM 173 N VAL A 14 17.728 4.298 4.628 1.00 21.22 N ATOM 174 CA VAL A 14 18.530 3.174 5.095 1.00 2.34 C ATOM 175 C VAL A 14 17.655 1.962 5.394 1.00 34.21 C ATOM 176 O VAL A 14 16.633 2.072 6.073 1.00 35.53 O ATOM 177 CB VAL A 14 19.328 3.541 6.360 1.00 44.00 C ATOM 178 CG1 VAL A 14 20.100 2.334 6.874 1.00 51.25 C ATOM 179 CG2 VAL A 14 20.268 4.703 6.076 1.00 44.55 C ATOM 0 H VAL A 14 17.246 4.808 5.368 1.00 21.22 H new ATOM 0 HA VAL A 14 19.227 2.928 4.294 1.00 2.34 H new ATOM 0 HB VAL A 14 18.627 3.850 7.135 1.00 44.00 H new ATOM 0 HG11 VAL A 14 20.658 2.613 7.768 1.00 51.25 H new ATOM 0 HG12 VAL A 14 19.402 1.532 7.117 1.00 51.25 H new ATOM 0 HG13 VAL A 14 20.793 1.992 6.106 1.00 51.25 H new ATOM 0 HG21 VAL A 14 20.825 4.950 6.980 1.00 44.55 H new ATOM 0 HG22 VAL A 14 20.965 4.423 5.286 1.00 44.55 H new ATOM 0 HG23 VAL A 14 19.689 5.570 5.758 1.00 44.55 H new ATOM 189 N LYS A 15 18.062 0.804 4.884 1.00 20.03 N ATOM 190 CA LYS A 15 17.317 -0.431 5.097 1.00 34.30 C ATOM 191 C LYS A 15 18.203 -1.498 5.732 1.00 62.02 C ATOM 192 O LYS A 15 19.105 -2.034 5.088 1.00 61.44 O ATOM 193 CB LYS A 15 16.753 -0.945 3.771 1.00 53.00 C ATOM 194 CG LYS A 15 16.117 -2.321 3.873 1.00 15.14 C ATOM 195 CD LYS A 15 14.876 -2.299 4.749 1.00 41.01 C ATOM 196 CE LYS A 15 15.180 -2.778 6.160 1.00 63.11 C ATOM 197 NZ LYS A 15 14.045 -3.545 6.742 1.00 53.54 N1+ ATOM 0 H LYS A 15 18.905 0.695 4.320 1.00 20.03 H new ATOM 0 HA LYS A 15 16.493 -0.216 5.777 1.00 34.30 H new ATOM 0 HB2 LYS A 15 16.010 -0.237 3.403 1.00 53.00 H new ATOM 0 HB3 LYS A 15 17.555 -0.978 3.033 1.00 53.00 H new ATOM 0 HG2 LYS A 15 15.854 -2.676 2.877 1.00 15.14 H new ATOM 0 HG3 LYS A 15 16.840 -3.027 4.282 1.00 15.14 H new ATOM 0 HD2 LYS A 15 14.474 -1.287 4.786 1.00 41.01 H new ATOM 0 HD3 LYS A 15 14.106 -2.932 4.307 1.00 41.01 H new ATOM 0 HE2 LYS A 15 16.072 -3.404 6.147 1.00 63.11 H new ATOM 0 HE3 LYS A 15 15.402 -1.920 6.795 1.00 63.11 H new ATOM 0 HZ1 LYS A 15 14.114 -3.533 7.780 1.00 53.54 H new ATOM 0 HZ2 LYS A 15 13.146 -3.111 6.450 1.00 53.54 H new ATOM 0 HZ3 LYS A 15 14.081 -4.528 6.404 1.00 53.54 H new ATOM 211 N VAL A 16 17.939 -1.802 7.000 1.00 25.51 N ATOM 212 CA VAL A 16 18.712 -2.807 7.720 1.00 72.30 C ATOM 213 C VAL A 16 17.802 -3.877 8.313 1.00 42.30 C ATOM 214 O VAL A 16 16.927 -3.582 9.129 1.00 53.32 O ATOM 215 CB VAL A 16 19.543 -2.172 8.851 1.00 4.53 C ATOM 216 CG1 VAL A 16 20.314 -3.239 9.612 1.00 11.20 C ATOM 217 CG2 VAL A 16 20.486 -1.118 8.289 1.00 21.20 C ATOM 0 H VAL A 16 17.197 -1.367 7.548 1.00 25.51 H new ATOM 0 HA VAL A 16 19.387 -3.266 6.997 1.00 72.30 H new ATOM 0 HB VAL A 16 18.863 -1.684 9.549 1.00 4.53 H new ATOM 0 HG11 VAL A 16 20.895 -2.771 10.407 1.00 11.20 H new ATOM 0 HG12 VAL A 16 19.614 -3.953 10.046 1.00 11.20 H new ATOM 0 HG13 VAL A 16 20.986 -3.759 8.929 1.00 11.20 H new ATOM 0 HG21 VAL A 16 21.066 -0.679 9.101 1.00 21.20 H new ATOM 0 HG22 VAL A 16 21.161 -1.581 7.569 1.00 21.20 H new ATOM 0 HG23 VAL A 16 19.907 -0.339 7.794 1.00 21.20 H new ATOM 227 N LEU A 17 18.014 -5.122 7.901 1.00 45.53 N ATOM 228 CA LEU A 17 17.214 -6.238 8.392 1.00 34.25 C ATOM 229 C LEU A 17 18.088 -7.459 8.658 1.00 35.30 C ATOM 230 O LEU A 17 19.081 -7.687 7.968 1.00 14.24 O ATOM 231 CB LEU A 17 16.120 -6.590 7.381 1.00 4.15 C ATOM 232 CG LEU A 17 16.546 -7.487 6.217 1.00 21.13 C ATOM 233 CD1 LEU A 17 16.062 -8.911 6.437 1.00 54.51 C ATOM 234 CD2 LEU A 17 16.016 -6.938 4.900 1.00 44.01 C ATOM 0 H LEU A 17 18.734 -5.384 7.228 1.00 45.53 H new ATOM 0 HA LEU A 17 16.750 -5.935 9.331 1.00 34.25 H new ATOM 0 HB2 LEU A 17 15.306 -7.081 7.913 1.00 4.15 H new ATOM 0 HB3 LEU A 17 15.719 -5.663 6.971 1.00 4.15 H new ATOM 0 HG LEU A 17 17.635 -7.499 6.171 1.00 21.13 H new ATOM 0 HD11 LEU A 17 16.374 -9.535 5.599 1.00 54.51 H new ATOM 0 HD12 LEU A 17 16.490 -9.302 7.360 1.00 54.51 H new ATOM 0 HD13 LEU A 17 14.974 -8.919 6.510 1.00 54.51 H new ATOM 0 HD21 LEU A 17 16.328 -7.588 4.083 1.00 44.01 H new ATOM 0 HD22 LEU A 17 14.927 -6.896 4.935 1.00 44.01 H new ATOM 0 HD23 LEU A 17 16.412 -5.936 4.738 1.00 44.01 H new ATOM 246 N ASP A 18 17.711 -8.240 9.665 1.00 35.22 N ATOM 247 CA ASP A 18 18.459 -9.441 10.022 1.00 62.01 C ATOM 248 C ASP A 18 18.074 -10.610 9.119 1.00 31.11 C ATOM 249 O ASP A 18 16.983 -11.166 9.239 1.00 73.51 O ATOM 250 CB ASP A 18 18.209 -9.807 11.485 1.00 12.00 C ATOM 251 CG ASP A 18 19.218 -9.170 12.421 1.00 12.43 C ATOM 252 OD1 ASP A 18 19.307 -7.925 12.440 1.00 43.43 O1- ATOM 253 OD2 ASP A 18 19.921 -9.919 13.134 1.00 41.53 O ATOM 0 H ASP A 18 16.893 -8.063 10.248 1.00 35.22 H new ATOM 0 HA ASP A 18 19.520 -9.233 9.884 1.00 62.01 H new ATOM 0 HB2 ASP A 18 17.205 -9.492 11.769 1.00 12.00 H new ATOM 0 HB3 ASP A 18 18.247 -10.891 11.597 1.00 12.00 H new ATOM 258 N ALA A 19 18.977 -10.975 8.216 1.00 34.14 N ATOM 259 CA ALA A 19 18.733 -12.078 7.294 1.00 74.24 C ATOM 260 C ALA A 19 18.461 -13.374 8.049 1.00 42.11 C ATOM 261 O ALA A 19 17.900 -14.321 7.496 1.00 25.21 O ATOM 262 CB ALA A 19 19.915 -12.251 6.353 1.00 45.22 C ATOM 0 H ALA A 19 19.885 -10.523 8.103 1.00 34.14 H new ATOM 0 HA ALA A 19 17.847 -11.838 6.706 1.00 74.24 H new ATOM 0 HB1 ALA A 19 19.719 -13.078 5.671 1.00 45.22 H new ATOM 0 HB2 ALA A 19 20.061 -11.335 5.781 1.00 45.22 H new ATOM 0 HB3 ALA A 19 20.813 -12.464 6.932 1.00 45.22 H new ATOM 268 N VAL A 20 18.861 -13.411 9.316 1.00 34.04 N ATOM 269 CA VAL A 20 18.659 -14.592 10.147 1.00 21.35 C ATOM 270 C VAL A 20 17.205 -15.048 10.111 1.00 44.04 C ATOM 271 O VAL A 20 16.919 -16.227 9.903 1.00 43.12 O ATOM 272 CB VAL A 20 19.065 -14.325 11.610 1.00 5.35 C ATOM 273 CG1 VAL A 20 18.802 -15.552 12.469 1.00 34.41 C ATOM 274 CG2 VAL A 20 20.528 -13.913 11.688 1.00 3.13 C ATOM 0 H VAL A 20 19.327 -12.637 9.789 1.00 34.04 H new ATOM 0 HA VAL A 20 19.294 -15.378 9.738 1.00 21.35 H new ATOM 0 HB VAL A 20 18.458 -13.505 11.995 1.00 5.35 H new ATOM 0 HG11 VAL A 20 19.095 -15.345 13.498 1.00 34.41 H new ATOM 0 HG12 VAL A 20 17.741 -15.799 12.436 1.00 34.41 H new ATOM 0 HG13 VAL A 20 19.382 -16.393 12.089 1.00 34.41 H new ATOM 0 HG21 VAL A 20 20.799 -13.728 12.727 1.00 3.13 H new ATOM 0 HG22 VAL A 20 21.153 -14.711 11.287 1.00 3.13 H new ATOM 0 HG23 VAL A 20 20.682 -13.004 11.106 1.00 3.13 H new ATOM 284 N ARG A 21 16.290 -14.105 10.314 1.00 13.31 N ATOM 285 CA ARG A 21 14.864 -14.411 10.305 1.00 41.52 C ATOM 286 C ARG A 21 14.159 -13.682 9.165 1.00 40.44 C ATOM 287 O ARG A 21 13.045 -14.035 8.783 1.00 1.41 O ATOM 288 CB ARG A 21 14.230 -14.024 11.642 1.00 42.31 C ATOM 289 CG ARG A 21 15.105 -14.337 12.845 1.00 55.31 C ATOM 290 CD ARG A 21 15.917 -13.125 13.274 1.00 11.13 C ATOM 291 NE ARG A 21 15.270 -12.389 14.356 1.00 51.30 N ATOM 292 CZ ARG A 21 15.880 -11.453 15.076 1.00 13.52 C ATOM 293 NH1 ARG A 21 17.146 -11.144 14.829 1.00 72.23 N1+ ATOM 294 NH2 ARG A 21 15.225 -10.827 16.045 1.00 1.52 N ATOM 0 H ARG A 21 16.510 -13.124 10.486 1.00 13.31 H new ATOM 0 HA ARG A 21 14.749 -15.484 10.153 1.00 41.52 H new ATOM 0 HB2 ARG A 21 14.007 -12.957 11.633 1.00 42.31 H new ATOM 0 HB3 ARG A 21 13.280 -14.547 11.749 1.00 42.31 H new ATOM 0 HG2 ARG A 21 14.480 -14.670 13.674 1.00 55.31 H new ATOM 0 HG3 ARG A 21 15.778 -15.160 12.603 1.00 55.31 H new ATOM 0 HD2 ARG A 21 16.907 -13.447 13.596 1.00 11.13 H new ATOM 0 HD3 ARG A 21 16.060 -12.463 12.420 1.00 11.13 H new ATOM 0 HE ARG A 21 14.297 -12.605 14.571 1.00 51.30 H new ATOM 0 HH11 ARG A 21 17.653 -11.625 14.086 1.00 72.23 H new ATOM 0 HH12 ARG A 21 17.613 -10.425 15.382 1.00 72.23 H new ATOM 0 HH21 ARG A 21 14.252 -11.064 16.238 1.00 1.52 H new ATOM 0 HH22 ARG A 21 15.695 -10.109 16.597 1.00 1.52 H new ATOM 308 N GLY A 22 14.818 -12.660 8.626 1.00 74.32 N ATOM 309 CA GLY A 22 14.239 -11.897 7.536 1.00 71.21 C ATOM 310 C GLY A 22 13.496 -10.667 8.020 1.00 53.11 C ATOM 311 O GLY A 22 12.881 -9.953 7.227 1.00 34.42 O ATOM 0 H GLY A 22 15.742 -12.347 8.925 1.00 74.32 H new ATOM 0 HA2 GLY A 22 15.029 -11.594 6.849 1.00 71.21 H new ATOM 0 HA3 GLY A 22 13.555 -12.533 6.974 1.00 71.21 H new ATOM 315 N SER A 23 13.552 -10.420 9.324 1.00 51.51 N ATOM 316 CA SER A 23 12.874 -9.271 9.914 1.00 3.34 C ATOM 317 C SER A 23 13.812 -8.069 9.995 1.00 32.43 C ATOM 318 O SER A 23 15.032 -8.195 9.902 1.00 43.34 O ATOM 319 CB SER A 23 12.352 -9.621 11.309 1.00 71.44 C ATOM 320 OG SER A 23 12.958 -10.805 11.798 1.00 35.11 O ATOM 0 H SER A 23 14.060 -10.999 9.993 1.00 51.51 H new ATOM 0 HA SER A 23 12.031 -9.009 9.274 1.00 3.34 H new ATOM 0 HB2 SER A 23 12.553 -8.797 11.993 1.00 71.44 H new ATOM 0 HB3 SER A 23 11.270 -9.750 11.274 1.00 71.44 H new ATOM 0 HG SER A 23 12.609 -11.006 12.691 1.00 35.11 H new ATOM 326 N PRO A 24 13.227 -6.875 10.172 1.00 34.11 N ATOM 327 CA PRO A 24 13.990 -5.628 10.270 1.00 75.01 C ATOM 328 C PRO A 24 14.791 -5.538 11.565 1.00 32.44 C ATOM 329 O PRO A 24 14.398 -6.097 12.589 1.00 65.23 O ATOM 330 CB PRO A 24 12.908 -4.545 10.235 1.00 55.43 C ATOM 331 CG PRO A 24 11.681 -5.220 10.744 1.00 2.33 C ATOM 332 CD PRO A 24 11.777 -6.651 10.291 1.00 25.13 C ATOM 0 HA PRO A 24 14.728 -5.539 9.472 1.00 75.01 H new ATOM 0 HB2 PRO A 24 13.179 -3.694 10.859 1.00 55.43 H new ATOM 0 HB3 PRO A 24 12.761 -4.165 9.224 1.00 55.43 H new ATOM 0 HG2 PRO A 24 11.624 -5.158 11.831 1.00 2.33 H new ATOM 0 HG3 PRO A 24 10.782 -4.745 10.350 1.00 2.33 H new ATOM 0 HD2 PRO A 24 11.323 -7.332 11.011 1.00 25.13 H new ATOM 0 HD3 PRO A 24 11.267 -6.807 9.340 1.00 25.13 H new ATOM 340 N ALA A 25 15.915 -4.832 11.512 1.00 41.01 N ATOM 341 CA ALA A 25 16.769 -4.666 12.682 1.00 63.44 C ATOM 342 C ALA A 25 16.456 -3.364 13.411 1.00 30.11 C ATOM 343 O ALA A 25 16.298 -2.315 12.786 1.00 75.14 O ATOM 344 CB ALA A 25 18.235 -4.707 12.276 1.00 64.11 C ATOM 0 H ALA A 25 16.256 -4.366 10.671 1.00 41.01 H new ATOM 0 HA ALA A 25 16.570 -5.491 13.366 1.00 63.44 H new ATOM 0 HB1 ALA A 25 18.861 -4.582 13.160 1.00 64.11 H new ATOM 0 HB2 ALA A 25 18.456 -5.666 11.808 1.00 64.11 H new ATOM 0 HB3 ALA A 25 18.440 -3.903 11.570 1.00 64.11 H new ATOM 350 N ILE A 26 16.367 -3.439 14.735 1.00 43.00 N ATOM 351 CA ILE A 26 16.073 -2.266 15.548 1.00 13.15 C ATOM 352 C ILE A 26 17.320 -1.775 16.275 1.00 11.44 C ATOM 353 O ILE A 26 18.112 -2.571 16.778 1.00 75.40 O ATOM 354 CB ILE A 26 14.972 -2.560 16.583 1.00 42.33 C ATOM 355 CG1 ILE A 26 13.595 -2.229 16.003 1.00 52.34 C ATOM 356 CG2 ILE A 26 15.219 -1.769 17.860 1.00 30.32 C ATOM 357 CD1 ILE A 26 13.192 -0.783 16.191 1.00 11.12 C ATOM 0 H ILE A 26 16.494 -4.300 15.267 1.00 43.00 H new ATOM 0 HA ILE A 26 15.723 -1.490 14.867 1.00 13.15 H new ATOM 0 HB ILE A 26 14.998 -3.622 16.826 1.00 42.33 H new ATOM 0 HG12 ILE A 26 13.592 -2.463 14.938 1.00 52.34 H new ATOM 0 HG13 ILE A 26 12.848 -2.870 16.472 1.00 52.34 H new ATOM 0 HG21 ILE A 26 14.432 -1.988 18.582 1.00 30.32 H new ATOM 0 HG22 ILE A 26 16.185 -2.049 18.280 1.00 30.32 H new ATOM 0 HG23 ILE A 26 15.217 -0.703 17.634 1.00 30.32 H new ATOM 0 HD11 ILE A 26 12.206 -0.621 15.756 1.00 11.12 H new ATOM 0 HD12 ILE A 26 13.162 -0.549 17.255 1.00 11.12 H new ATOM 0 HD13 ILE A 26 13.917 -0.136 15.698 1.00 11.12 H new ATOM 369 N ASN A 27 17.487 -0.457 16.328 1.00 72.15 N ATOM 370 CA ASN A 27 18.638 0.141 16.995 1.00 74.24 C ATOM 371 C ASN A 27 19.936 -0.246 16.294 1.00 65.44 C ATOM 372 O ASN A 27 20.811 -0.877 16.887 1.00 74.45 O ATOM 373 CB ASN A 27 18.688 -0.294 18.461 1.00 42.11 C ATOM 374 CG ASN A 27 17.377 -0.049 19.182 1.00 53.35 C ATOM 375 OD1 ASN A 27 16.942 -0.861 19.999 1.00 33.42 O ATOM 376 ND2 ASN A 27 16.739 1.077 18.882 1.00 65.05 N ATOM 0 H ASN A 27 16.840 0.217 15.917 1.00 72.15 H new ATOM 0 HA ASN A 27 18.530 1.225 16.948 1.00 74.24 H new ATOM 0 HB2 ASN A 27 18.936 -1.354 18.514 1.00 42.11 H new ATOM 0 HB3 ASN A 27 19.486 0.246 18.970 1.00 42.11 H new ATOM 0 HD21 ASN A 27 15.852 1.297 19.335 1.00 65.05 H new ATOM 0 HD22 ASN A 27 17.136 1.722 18.199 1.00 65.05 H new ATOM 383 N VAL A 28 20.054 0.137 15.026 1.00 63.23 N ATOM 384 CA VAL A 28 21.245 -0.169 14.243 1.00 64.00 C ATOM 385 C VAL A 28 21.993 1.103 13.860 1.00 62.33 C ATOM 386 O VAL A 28 21.517 1.892 13.042 1.00 75.42 O ATOM 387 CB VAL A 28 20.891 -0.949 12.963 1.00 51.21 C ATOM 388 CG1 VAL A 28 22.145 -1.246 12.154 1.00 23.21 C ATOM 389 CG2 VAL A 28 20.154 -2.233 13.310 1.00 70.12 C ATOM 0 H VAL A 28 19.339 0.660 14.520 1.00 63.23 H new ATOM 0 HA VAL A 28 21.886 -0.788 14.871 1.00 64.00 H new ATOM 0 HB VAL A 28 20.232 -0.332 12.352 1.00 51.21 H new ATOM 0 HG11 VAL A 28 21.875 -1.798 11.253 1.00 23.21 H new ATOM 0 HG12 VAL A 28 22.628 -0.310 11.875 1.00 23.21 H new ATOM 0 HG13 VAL A 28 22.832 -1.844 12.753 1.00 23.21 H new ATOM 0 HG21 VAL A 28 19.911 -2.772 12.394 1.00 70.12 H new ATOM 0 HG22 VAL A 28 20.787 -2.857 13.941 1.00 70.12 H new ATOM 0 HG23 VAL A 28 19.235 -1.992 13.844 1.00 70.12 H new ATOM 399 N ALA A 29 23.165 1.298 14.454 1.00 51.31 N ATOM 400 CA ALA A 29 23.980 2.473 14.172 1.00 14.44 C ATOM 401 C ALA A 29 24.273 2.594 12.681 1.00 34.01 C ATOM 402 O ALA A 29 24.732 1.642 12.050 1.00 1.50 O ATOM 403 CB ALA A 29 25.278 2.418 14.965 1.00 51.41 C ATOM 0 H ALA A 29 23.572 0.656 15.135 1.00 51.31 H new ATOM 0 HA ALA A 29 23.418 3.356 14.477 1.00 14.44 H new ATOM 0 HB1 ALA A 29 25.877 3.302 14.745 1.00 51.41 H new ATOM 0 HB2 ALA A 29 25.052 2.389 16.031 1.00 51.41 H new ATOM 0 HB3 ALA A 29 25.836 1.523 14.688 1.00 51.41 H new ATOM 409 N VAL A 30 24.003 3.770 12.123 1.00 53.05 N ATOM 410 CA VAL A 30 24.239 4.014 10.705 1.00 30.12 C ATOM 411 C VAL A 30 24.840 5.397 10.479 1.00 13.12 C ATOM 412 O VAL A 30 24.358 6.392 11.019 1.00 14.35 O ATOM 413 CB VAL A 30 22.937 3.894 9.891 1.00 12.13 C ATOM 414 CG1 VAL A 30 23.229 3.983 8.400 1.00 20.24 C ATOM 415 CG2 VAL A 30 22.218 2.595 10.225 1.00 21.10 C ATOM 0 H VAL A 30 23.621 4.568 12.631 1.00 53.05 H new ATOM 0 HA VAL A 30 24.943 3.254 10.365 1.00 30.12 H new ATOM 0 HB VAL A 30 22.283 4.724 10.159 1.00 12.13 H new ATOM 0 HG11 VAL A 30 22.297 3.896 7.841 1.00 20.24 H new ATOM 0 HG12 VAL A 30 23.698 4.942 8.178 1.00 20.24 H new ATOM 0 HG13 VAL A 30 23.901 3.175 8.112 1.00 20.24 H new ATOM 0 HG21 VAL A 30 21.300 2.527 9.641 1.00 21.10 H new ATOM 0 HG22 VAL A 30 22.864 1.750 9.986 1.00 21.10 H new ATOM 0 HG23 VAL A 30 21.974 2.577 11.287 1.00 21.10 H new ATOM 425 N HIS A 31 25.898 5.451 9.676 1.00 64.03 N ATOM 426 CA HIS A 31 26.566 6.713 9.376 1.00 64.42 C ATOM 427 C HIS A 31 26.656 6.936 7.870 1.00 32.44 C ATOM 428 O HIS A 31 27.243 6.130 7.147 1.00 61.22 O ATOM 429 CB HIS A 31 27.967 6.732 9.990 1.00 31.03 C ATOM 430 CG HIS A 31 28.013 6.198 11.389 1.00 51.53 C ATOM 431 ND1 HIS A 31 28.101 7.008 12.502 1.00 72.45 N ATOM 432 CD2 HIS A 31 27.983 4.927 11.853 1.00 62.03 C ATOM 433 CE1 HIS A 31 28.123 6.259 13.590 1.00 20.24 C ATOM 434 NE2 HIS A 31 28.052 4.991 13.223 1.00 41.10 N ATOM 0 H HIS A 31 26.311 4.636 9.222 1.00 64.03 H new ATOM 0 HA HIS A 31 25.976 7.520 9.811 1.00 64.42 H new ATOM 0 HB2 HIS A 31 28.638 6.145 9.363 1.00 31.03 H new ATOM 0 HB3 HIS A 31 28.342 7.755 9.987 1.00 31.03 H new ATOM 0 HD2 HIS A 31 27.917 4.029 11.257 1.00 62.03 H new ATOM 0 HE1 HIS A 31 28.188 6.621 14.606 1.00 20.24 H new ATOM 0 HE2 HIS A 31 28.049 4.190 13.855 1.00 41.10 H new ATOM 442 N VAL A 32 26.072 8.034 7.402 1.00 24.00 N ATOM 443 CA VAL A 32 26.087 8.363 5.982 1.00 4.03 C ATOM 444 C VAL A 32 27.110 9.452 5.680 1.00 11.32 C ATOM 445 O VAL A 32 27.195 10.454 6.390 1.00 31.44 O ATOM 446 CB VAL A 32 24.700 8.830 5.500 1.00 4.31 C ATOM 447 CG1 VAL A 32 24.671 8.937 3.983 1.00 52.25 C ATOM 448 CG2 VAL A 32 23.617 7.885 5.997 1.00 32.45 C ATOM 0 H VAL A 32 25.582 8.711 7.986 1.00 24.00 H new ATOM 0 HA VAL A 32 26.362 7.453 5.449 1.00 4.03 H new ATOM 0 HB VAL A 32 24.504 9.819 5.914 1.00 4.31 H new ATOM 0 HG11 VAL A 32 23.684 9.268 3.660 1.00 52.25 H new ATOM 0 HG12 VAL A 32 25.420 9.657 3.655 1.00 52.25 H new ATOM 0 HG13 VAL A 32 24.888 7.963 3.545 1.00 52.25 H new ATOM 0 HG21 VAL A 32 22.644 8.230 5.647 1.00 32.45 H new ATOM 0 HG22 VAL A 32 23.805 6.882 5.614 1.00 32.45 H new ATOM 0 HG23 VAL A 32 23.624 7.864 7.087 1.00 32.45 H new ATOM 458 N PHE A 33 27.888 9.248 4.622 1.00 51.12 N ATOM 459 CA PHE A 33 28.908 10.212 4.226 1.00 51.45 C ATOM 460 C PHE A 33 28.794 10.545 2.741 1.00 55.55 C ATOM 461 O PHE A 33 28.111 9.850 1.989 1.00 10.22 O ATOM 462 CB PHE A 33 30.303 9.665 4.531 1.00 10.20 C ATOM 463 CG PHE A 33 30.657 9.705 5.991 1.00 4.40 C ATOM 464 CD1 PHE A 33 30.081 8.813 6.882 1.00 34.41 C ATOM 465 CD2 PHE A 33 31.564 10.635 6.472 1.00 65.40 C ATOM 466 CE1 PHE A 33 30.404 8.848 8.225 1.00 11.13 C ATOM 467 CE2 PHE A 33 31.892 10.673 7.814 1.00 73.04 C ATOM 468 CZ PHE A 33 31.310 9.780 8.692 1.00 5.30 C ATOM 0 H PHE A 33 27.832 8.424 4.024 1.00 51.12 H new ATOM 0 HA PHE A 33 28.750 11.126 4.799 1.00 51.45 H new ATOM 0 HB2 PHE A 33 30.366 8.636 4.178 1.00 10.20 H new ATOM 0 HB3 PHE A 33 31.040 10.240 3.971 1.00 10.20 H new ATOM 0 HD1 PHE A 33 29.372 8.082 6.522 1.00 34.41 H new ATOM 0 HD2 PHE A 33 32.020 11.338 5.791 1.00 65.40 H new ATOM 0 HE1 PHE A 33 29.948 8.147 8.909 1.00 11.13 H new ATOM 0 HE2 PHE A 33 32.603 11.401 8.176 1.00 73.04 H new ATOM 0 HZ PHE A 33 31.563 9.810 9.742 1.00 5.30 H new ATOM 478 N ARG A 34 29.467 11.613 2.327 1.00 64.43 N ATOM 479 CA ARG A 34 29.442 12.040 0.933 1.00 65.22 C ATOM 480 C ARG A 34 30.855 12.265 0.406 1.00 15.34 C ATOM 481 O ARG A 34 31.742 12.698 1.143 1.00 10.42 O ATOM 482 CB ARG A 34 28.621 13.322 0.786 1.00 44.03 C ATOM 483 CG ARG A 34 28.441 13.768 -0.656 1.00 42.14 C ATOM 484 CD ARG A 34 29.453 14.835 -1.040 1.00 65.22 C ATOM 485 NE ARG A 34 29.156 15.429 -2.341 1.00 22.33 N ATOM 486 CZ ARG A 34 29.308 14.785 -3.493 1.00 13.23 C ATOM 487 NH1 ARG A 34 29.749 13.534 -3.505 1.00 32.51 N1+ ATOM 488 NH2 ARG A 34 29.017 15.392 -4.636 1.00 1.52 N ATOM 0 H ARG A 34 30.037 12.199 2.937 1.00 64.43 H new ATOM 0 HA ARG A 34 28.977 11.248 0.345 1.00 65.22 H new ATOM 0 HB2 ARG A 34 27.640 13.168 1.235 1.00 44.03 H new ATOM 0 HB3 ARG A 34 29.107 14.121 1.347 1.00 44.03 H new ATOM 0 HG2 ARG A 34 28.547 12.909 -1.319 1.00 42.14 H new ATOM 0 HG3 ARG A 34 27.432 14.156 -0.795 1.00 42.14 H new ATOM 0 HD2 ARG A 34 29.463 15.615 -0.279 1.00 65.22 H new ATOM 0 HD3 ARG A 34 30.451 14.397 -1.061 1.00 65.22 H new ATOM 0 HE ARG A 34 28.814 16.389 -2.366 1.00 22.33 H new ATOM 0 HH11 ARG A 34 29.973 13.064 -2.628 1.00 32.51 H new ATOM 0 HH12 ARG A 34 29.865 13.042 -4.391 1.00 32.51 H new ATOM 0 HH21 ARG A 34 28.676 16.353 -4.631 1.00 1.52 H new ATOM 0 HH22 ARG A 34 29.134 14.897 -5.520 1.00 1.52 H new ATOM 502 N LYS A 35 31.059 11.968 -0.872 1.00 52.41 N ATOM 503 CA LYS A 35 32.365 12.138 -1.499 1.00 13.50 C ATOM 504 C LYS A 35 32.735 13.615 -1.593 1.00 22.12 C ATOM 505 O LYS A 35 32.161 14.359 -2.388 1.00 23.40 O ATOM 506 CB LYS A 35 32.369 11.510 -2.894 1.00 52.13 C ATOM 507 CG LYS A 35 33.466 12.046 -3.799 1.00 14.31 C ATOM 508 CD LYS A 35 34.847 11.749 -3.237 1.00 53.52 C ATOM 509 CE LYS A 35 35.170 10.265 -3.309 1.00 23.31 C ATOM 510 NZ LYS A 35 36.060 9.947 -4.460 1.00 21.52 N1+ ATOM 0 H LYS A 35 30.336 11.608 -1.495 1.00 52.41 H new ATOM 0 HA LYS A 35 33.107 11.635 -0.879 1.00 13.50 H new ATOM 0 HB2 LYS A 35 32.485 10.430 -2.797 1.00 52.13 H new ATOM 0 HB3 LYS A 35 31.402 11.686 -3.365 1.00 52.13 H new ATOM 0 HG2 LYS A 35 33.372 11.601 -4.790 1.00 14.31 H new ATOM 0 HG3 LYS A 35 33.345 13.122 -3.920 1.00 14.31 H new ATOM 0 HD2 LYS A 35 35.596 12.313 -3.793 1.00 53.52 H new ATOM 0 HD3 LYS A 35 34.899 12.084 -2.201 1.00 53.52 H new ATOM 0 HE2 LYS A 35 35.650 9.952 -2.382 1.00 23.31 H new ATOM 0 HE3 LYS A 35 34.245 9.696 -3.397 1.00 23.31 H new ATOM 0 HZ1 LYS A 35 36.257 8.926 -4.475 1.00 21.52 H new ATOM 0 HZ2 LYS A 35 35.592 10.222 -5.347 1.00 21.52 H new ATOM 0 HZ3 LYS A 35 36.953 10.471 -4.363 1.00 21.52 H new ATOM 524 N ALA A 36 33.698 14.032 -0.777 1.00 11.43 N ATOM 525 CA ALA A 36 34.146 15.419 -0.772 1.00 5.53 C ATOM 526 C ALA A 36 34.928 15.749 -2.039 1.00 3.33 C ATOM 527 O ALA A 36 35.479 14.860 -2.688 1.00 43.41 O ATOM 528 CB ALA A 36 34.995 15.695 0.461 1.00 65.22 C ATOM 0 H ALA A 36 34.182 13.429 -0.112 1.00 11.43 H new ATOM 0 HA ALA A 36 33.264 16.059 -0.744 1.00 5.53 H new ATOM 0 HB1 ALA A 36 35.323 16.734 0.452 1.00 65.22 H new ATOM 0 HB2 ALA A 36 34.405 15.509 1.358 1.00 65.22 H new ATOM 0 HB3 ALA A 36 35.866 15.040 0.457 1.00 65.22 H new ATOM 534 N ALA A 37 34.972 17.031 -2.385 1.00 31.41 N ATOM 535 CA ALA A 37 35.687 17.477 -3.575 1.00 53.45 C ATOM 536 C ALA A 37 37.169 17.129 -3.486 1.00 42.42 C ATOM 537 O ALA A 37 37.869 17.092 -4.498 1.00 11.14 O ATOM 538 CB ALA A 37 35.506 18.976 -3.768 1.00 43.21 C ATOM 0 H ALA A 37 34.521 17.779 -1.858 1.00 31.41 H new ATOM 0 HA ALA A 37 35.269 16.957 -4.437 1.00 53.45 H new ATOM 0 HB1 ALA A 37 36.045 19.296 -4.660 1.00 43.21 H new ATOM 0 HB2 ALA A 37 34.446 19.203 -3.884 1.00 43.21 H new ATOM 0 HB3 ALA A 37 35.897 19.505 -2.899 1.00 43.21 H new ATOM 544 N ASP A 38 37.642 16.875 -2.271 1.00 21.45 N ATOM 545 CA ASP A 38 39.041 16.529 -2.052 1.00 71.21 C ATOM 546 C ASP A 38 39.227 15.016 -2.011 1.00 42.43 C ATOM 547 O ASP A 38 40.251 14.518 -1.543 1.00 64.32 O ATOM 548 CB ASP A 38 39.544 17.151 -0.748 1.00 40.43 C ATOM 549 CG ASP A 38 40.178 18.512 -0.963 1.00 61.52 C ATOM 550 OD1 ASP A 38 39.703 19.254 -1.848 1.00 35.52 O ATOM 551 OD2 ASP A 38 41.150 18.834 -0.247 1.00 52.21 O1- ATOM 0 H ASP A 38 37.077 16.902 -1.422 1.00 21.45 H new ATOM 0 HA ASP A 38 39.622 16.926 -2.884 1.00 71.21 H new ATOM 0 HB2 ASP A 38 38.712 17.247 -0.050 1.00 40.43 H new ATOM 0 HB3 ASP A 38 40.272 16.483 -0.287 1.00 40.43 H new ATOM 556 N ASP A 39 38.229 14.289 -2.504 1.00 23.33 N ATOM 557 CA ASP A 39 38.283 12.832 -2.525 1.00 64.41 C ATOM 558 C ASP A 39 38.303 12.269 -1.108 1.00 62.43 C ATOM 559 O ASP A 39 39.024 11.314 -0.817 1.00 42.41 O ATOM 560 CB ASP A 39 39.517 12.356 -3.294 1.00 53.30 C ATOM 561 CG ASP A 39 39.845 13.251 -4.473 1.00 11.54 C ATOM 562 OD1 ASP A 39 39.032 13.306 -5.419 1.00 1.24 O ATOM 563 OD2 ASP A 39 40.915 13.895 -4.449 1.00 73.02 O1- ATOM 0 H ASP A 39 37.374 14.685 -2.894 1.00 23.33 H new ATOM 0 HA ASP A 39 37.388 12.467 -3.029 1.00 64.41 H new ATOM 0 HB2 ASP A 39 40.372 12.322 -2.618 1.00 53.30 H new ATOM 0 HB3 ASP A 39 39.350 11.339 -3.649 1.00 53.30 H new ATOM 568 N THR A 40 37.507 12.867 -0.227 1.00 24.15 N ATOM 569 CA THR A 40 37.435 12.428 1.161 1.00 43.05 C ATOM 570 C THR A 40 36.006 12.059 1.547 1.00 61.51 C ATOM 571 O THR A 40 35.084 12.182 0.741 1.00 34.22 O ATOM 572 CB THR A 40 37.951 13.514 2.123 1.00 44.50 C ATOM 573 OG1 THR A 40 36.967 14.544 2.271 1.00 41.21 O ATOM 574 CG2 THR A 40 39.250 14.117 1.611 1.00 21.33 C ATOM 0 H THR A 40 36.903 13.658 -0.451 1.00 24.15 H new ATOM 0 HA THR A 40 38.071 11.547 1.247 1.00 43.05 H new ATOM 0 HB THR A 40 38.141 13.051 3.091 1.00 44.50 H new ATOM 0 HG1 THR A 40 37.302 15.230 2.886 1.00 41.21 H new ATOM 0 HG21 THR A 40 39.595 14.882 2.307 1.00 21.33 H new ATOM 0 HG22 THR A 40 40.005 13.336 1.526 1.00 21.33 H new ATOM 0 HG23 THR A 40 39.082 14.566 0.632 1.00 21.33 H new ATOM 582 N TRP A 41 35.831 11.608 2.783 1.00 45.03 N ATOM 583 CA TRP A 41 34.513 11.223 3.277 1.00 2.42 C ATOM 584 C TRP A 41 33.963 12.273 4.235 1.00 70.44 C ATOM 585 O TRP A 41 34.425 12.394 5.369 1.00 32.21 O ATOM 586 CB TRP A 41 34.585 9.865 3.976 1.00 70.13 C ATOM 587 CG TRP A 41 34.748 8.716 3.027 1.00 74.41 C ATOM 588 CD1 TRP A 41 35.452 8.714 1.856 1.00 33.11 C ATOM 589 CD2 TRP A 41 34.195 7.403 3.167 1.00 44.32 C ATOM 590 NE1 TRP A 41 35.369 7.478 1.260 1.00 50.54 N ATOM 591 CE2 TRP A 41 34.605 6.656 2.045 1.00 44.12 C ATOM 592 CE3 TRP A 41 33.395 6.784 4.133 1.00 73.52 C ATOM 593 CZ2 TRP A 41 34.240 5.325 1.864 1.00 60.44 C ATOM 594 CZ3 TRP A 41 33.035 5.464 3.951 1.00 61.10 C ATOM 595 CH2 TRP A 41 33.457 4.744 2.824 1.00 75.05 C ATOM 0 H TRP A 41 36.584 11.500 3.462 1.00 45.03 H new ATOM 0 HA TRP A 41 33.839 11.149 2.423 1.00 2.42 H new ATOM 0 HB2 TRP A 41 35.420 9.869 4.677 1.00 70.13 H new ATOM 0 HB3 TRP A 41 33.678 9.717 4.562 1.00 70.13 H new ATOM 0 HD1 TRP A 41 35.994 9.559 1.457 1.00 33.11 H new ATOM 0 HE1 TRP A 41 35.806 7.216 0.376 1.00 50.54 H new ATOM 0 HE3 TRP A 41 33.065 7.329 5.005 1.00 73.52 H new ATOM 0 HZ2 TRP A 41 34.564 4.770 0.996 1.00 60.44 H new ATOM 0 HZ3 TRP A 41 32.417 4.977 4.690 1.00 61.10 H new ATOM 0 HH2 TRP A 41 33.159 3.712 2.712 1.00 75.05 H new ATOM 606 N GLU A 42 32.973 13.030 3.771 1.00 73.10 N ATOM 607 CA GLU A 42 32.360 14.071 4.589 1.00 54.20 C ATOM 608 C GLU A 42 31.088 13.558 5.257 1.00 4.34 C ATOM 609 O GLU A 42 30.389 12.690 4.735 1.00 73.22 O ATOM 610 CB GLU A 42 32.042 15.300 3.736 1.00 31.41 C ATOM 611 CG GLU A 42 33.268 16.114 3.360 1.00 53.13 C ATOM 612 CD GLU A 42 33.557 17.225 4.350 1.00 51.31 C ATOM 613 OE1 GLU A 42 32.631 18.011 4.645 1.00 60.43 O1- ATOM 614 OE2 GLU A 42 34.706 17.310 4.830 1.00 64.44 O ATOM 0 H GLU A 42 32.579 12.942 2.834 1.00 73.10 H new ATOM 0 HA GLU A 42 33.070 14.352 5.367 1.00 54.20 H new ATOM 0 HB2 GLU A 42 31.536 14.979 2.825 1.00 31.41 H new ATOM 0 HB3 GLU A 42 31.345 15.938 4.279 1.00 31.41 H new ATOM 0 HG2 GLU A 42 34.133 15.454 3.298 1.00 53.13 H new ATOM 0 HG3 GLU A 42 33.124 16.544 2.369 1.00 53.13 H new ATOM 621 N PRO A 43 30.779 14.108 6.442 1.00 54.34 N ATOM 622 CA PRO A 43 29.591 13.723 7.208 1.00 24.43 C ATOM 623 C PRO A 43 28.298 14.187 6.545 1.00 42.40 C ATOM 624 O PRO A 43 28.052 15.387 6.413 1.00 63.02 O ATOM 625 CB PRO A 43 29.788 14.432 8.550 1.00 15.11 C ATOM 626 CG PRO A 43 30.663 15.597 8.238 1.00 23.24 C ATOM 627 CD PRO A 43 31.568 15.148 7.124 1.00 63.44 C ATOM 0 HA PRO A 43 29.494 12.641 7.293 1.00 24.43 H new ATOM 0 HB2 PRO A 43 28.836 14.754 8.971 1.00 15.11 H new ATOM 0 HB3 PRO A 43 30.254 13.772 9.282 1.00 15.11 H new ATOM 0 HG2 PRO A 43 30.070 16.460 7.935 1.00 23.24 H new ATOM 0 HG3 PRO A 43 31.240 15.897 9.113 1.00 23.24 H new ATOM 0 HD2 PRO A 43 31.816 15.970 6.452 1.00 63.44 H new ATOM 0 HD3 PRO A 43 32.509 14.753 7.506 1.00 63.44 H new ATOM 635 N PHE A 44 27.474 13.231 6.129 1.00 23.33 N ATOM 636 CA PHE A 44 26.207 13.542 5.480 1.00 30.03 C ATOM 637 C PHE A 44 25.041 13.366 6.448 1.00 11.52 C ATOM 638 O PHE A 44 24.087 14.145 6.437 1.00 21.02 O ATOM 639 CB PHE A 44 26.005 12.650 4.254 1.00 54.34 C ATOM 640 CG PHE A 44 24.827 13.047 3.410 1.00 42.35 C ATOM 641 CD1 PHE A 44 23.542 12.671 3.769 1.00 23.01 C ATOM 642 CD2 PHE A 44 25.004 13.796 2.258 1.00 4.03 C ATOM 643 CE1 PHE A 44 22.457 13.036 2.996 1.00 44.13 C ATOM 644 CE2 PHE A 44 23.922 14.163 1.481 1.00 24.11 C ATOM 645 CZ PHE A 44 22.647 13.782 1.850 1.00 75.12 C ATOM 0 H PHE A 44 27.662 12.234 6.230 1.00 23.33 H new ATOM 0 HA PHE A 44 26.238 14.584 5.162 1.00 30.03 H new ATOM 0 HB2 PHE A 44 26.906 12.678 3.642 1.00 54.34 H new ATOM 0 HB3 PHE A 44 25.875 11.619 4.582 1.00 54.34 H new ATOM 0 HD1 PHE A 44 23.387 12.086 4.663 1.00 23.01 H new ATOM 0 HD2 PHE A 44 25.999 14.096 1.964 1.00 4.03 H new ATOM 0 HE1 PHE A 44 21.461 12.738 3.288 1.00 44.13 H new ATOM 0 HE2 PHE A 44 24.073 14.748 0.586 1.00 24.11 H new ATOM 0 HZ PHE A 44 21.800 14.067 1.243 1.00 75.12 H new ATOM 655 N ALA A 45 25.125 12.338 7.286 1.00 71.23 N ATOM 656 CA ALA A 45 24.080 12.060 8.262 1.00 64.43 C ATOM 657 C ALA A 45 24.452 10.871 9.142 1.00 24.31 C ATOM 658 O ALA A 45 25.479 10.226 8.929 1.00 5.31 O ATOM 659 CB ALA A 45 22.755 11.804 7.558 1.00 55.21 C ATOM 0 H ALA A 45 25.907 11.684 7.308 1.00 71.23 H new ATOM 0 HA ALA A 45 23.975 12.935 8.904 1.00 64.43 H new ATOM 0 HB1 ALA A 45 21.983 11.598 8.299 1.00 55.21 H new ATOM 0 HB2 ALA A 45 22.475 12.683 6.978 1.00 55.21 H new ATOM 0 HB3 ALA A 45 22.857 10.947 6.892 1.00 55.21 H new ATOM 665 N SER A 46 23.611 10.587 10.131 1.00 61.42 N ATOM 666 CA SER A 46 23.855 9.478 11.047 1.00 20.23 C ATOM 667 C SER A 46 22.652 9.252 11.957 1.00 55.20 C ATOM 668 O SER A 46 22.003 10.201 12.395 1.00 65.33 O ATOM 669 CB SER A 46 25.103 9.749 11.888 1.00 30.24 C ATOM 670 OG SER A 46 25.061 9.029 13.108 1.00 45.23 O ATOM 0 H SER A 46 22.755 11.109 10.319 1.00 61.42 H new ATOM 0 HA SER A 46 24.015 8.577 10.455 1.00 20.23 H new ATOM 0 HB2 SER A 46 25.993 9.466 11.326 1.00 30.24 H new ATOM 0 HB3 SER A 46 25.182 10.816 12.094 1.00 30.24 H new ATOM 0 HG SER A 46 25.870 9.218 13.627 1.00 45.23 H new ATOM 676 N GLY A 47 22.361 7.985 12.239 1.00 22.52 N ATOM 677 CA GLY A 47 21.238 7.655 13.097 1.00 13.24 C ATOM 678 C GLY A 47 21.114 6.164 13.342 1.00 23.24 C ATOM 679 O GLY A 47 22.071 5.415 13.152 1.00 53.34 O ATOM 0 H GLY A 47 22.883 7.182 11.888 1.00 22.52 H new ATOM 0 HA2 GLY A 47 21.351 8.169 14.052 1.00 13.24 H new ATOM 0 HA3 GLY A 47 20.318 8.023 12.644 1.00 13.24 H new ATOM 683 N LYS A 48 19.931 5.733 13.767 1.00 71.53 N ATOM 684 CA LYS A 48 19.684 4.322 14.040 1.00 65.33 C ATOM 685 C LYS A 48 18.438 3.836 13.308 1.00 1.25 C ATOM 686 O LYS A 48 17.390 4.480 13.348 1.00 42.23 O ATOM 687 CB LYS A 48 19.526 4.093 15.545 1.00 75.34 C ATOM 688 CG LYS A 48 20.819 3.704 16.241 1.00 22.40 C ATOM 689 CD LYS A 48 20.609 3.493 17.730 1.00 43.34 C ATOM 690 CE LYS A 48 20.249 4.793 18.433 1.00 30.21 C ATOM 691 NZ LYS A 48 20.861 4.878 19.789 1.00 35.43 N1+ ATOM 0 H LYS A 48 19.128 6.341 13.930 1.00 71.53 H new ATOM 0 HA LYS A 48 20.541 3.753 13.680 1.00 65.33 H new ATOM 0 HB2 LYS A 48 19.136 5.002 16.003 1.00 75.34 H new ATOM 0 HB3 LYS A 48 18.785 3.310 15.709 1.00 75.34 H new ATOM 0 HG2 LYS A 48 21.213 2.791 15.795 1.00 22.40 H new ATOM 0 HG3 LYS A 48 21.566 4.482 16.085 1.00 22.40 H new ATOM 0 HD2 LYS A 48 19.816 2.762 17.886 1.00 43.34 H new ATOM 0 HD3 LYS A 48 21.516 3.079 18.171 1.00 43.34 H new ATOM 0 HE2 LYS A 48 20.584 5.637 17.830 1.00 30.21 H new ATOM 0 HE3 LYS A 48 19.165 4.872 18.518 1.00 30.21 H new ATOM 0 HZ1 LYS A 48 20.592 5.778 20.235 1.00 35.43 H new ATOM 0 HZ2 LYS A 48 20.522 4.087 20.373 1.00 35.43 H new ATOM 0 HZ3 LYS A 48 21.897 4.828 19.706 1.00 35.43 H new ATOM 705 N THR A 49 18.559 2.694 12.637 1.00 51.42 N ATOM 706 CA THR A 49 17.442 2.122 11.895 1.00 70.12 C ATOM 707 C THR A 49 16.228 1.925 12.795 1.00 10.11 C ATOM 708 O THR A 49 16.309 2.101 14.011 1.00 53.44 O ATOM 709 CB THR A 49 17.823 0.770 11.263 1.00 52.42 C ATOM 710 OG1 THR A 49 18.035 -0.208 12.287 1.00 74.22 O ATOM 711 CG2 THR A 49 19.077 0.903 10.414 1.00 34.12 C ATOM 0 H THR A 49 19.419 2.148 12.592 1.00 51.42 H new ATOM 0 HA THR A 49 17.193 2.828 11.103 1.00 70.12 H new ATOM 0 HB THR A 49 17.002 0.451 10.621 1.00 52.42 H new ATOM 0 HG1 THR A 49 17.297 -0.853 12.282 1.00 74.22 H new ATOM 0 HG21 THR A 49 19.326 -0.065 9.978 1.00 34.12 H new ATOM 0 HG22 THR A 49 18.902 1.625 9.617 1.00 34.12 H new ATOM 0 HG23 THR A 49 19.904 1.244 11.037 1.00 34.12 H new ATOM 719 N SER A 50 15.102 1.558 12.190 1.00 34.50 N ATOM 720 CA SER A 50 13.868 1.341 12.938 1.00 20.42 C ATOM 721 C SER A 50 13.276 -0.029 12.621 1.00 73.51 C ATOM 722 O SER A 50 13.766 -0.741 11.746 1.00 35.41 O ATOM 723 CB SER A 50 12.852 2.436 12.614 1.00 43.22 C ATOM 724 OG SER A 50 13.312 3.704 13.047 1.00 64.44 O ATOM 0 H SER A 50 15.019 1.405 11.185 1.00 34.50 H new ATOM 0 HA SER A 50 14.104 1.378 14.001 1.00 20.42 H new ATOM 0 HB2 SER A 50 12.669 2.460 11.540 1.00 43.22 H new ATOM 0 HB3 SER A 50 11.901 2.207 13.095 1.00 43.22 H new ATOM 0 HG SER A 50 13.577 4.239 12.270 1.00 64.44 H new ATOM 730 N GLU A 51 12.219 -0.390 13.342 1.00 30.32 N ATOM 731 CA GLU A 51 11.560 -1.675 13.139 1.00 23.23 C ATOM 732 C GLU A 51 10.849 -1.714 11.789 1.00 40.22 C ATOM 733 O GLU A 51 10.365 -2.763 11.361 1.00 52.42 O ATOM 734 CB GLU A 51 10.557 -1.943 14.263 1.00 74.31 C ATOM 735 CG GLU A 51 9.654 -0.760 14.566 1.00 31.32 C ATOM 736 CD GLU A 51 8.181 -1.108 14.461 1.00 73.14 C ATOM 737 OE1 GLU A 51 7.622 -0.987 13.351 1.00 65.12 O1- ATOM 738 OE2 GLU A 51 7.589 -1.501 15.488 1.00 52.03 O ATOM 0 H GLU A 51 11.801 0.188 14.071 1.00 30.32 H new ATOM 0 HA GLU A 51 12.324 -2.452 13.151 1.00 23.23 H new ATOM 0 HB2 GLU A 51 9.941 -2.800 13.992 1.00 74.31 H new ATOM 0 HB3 GLU A 51 11.101 -2.215 15.167 1.00 74.31 H new ATOM 0 HG2 GLU A 51 9.866 -0.394 15.570 1.00 31.32 H new ATOM 0 HG3 GLU A 51 9.882 0.052 13.876 1.00 31.32 H new ATOM 745 N SER A 52 10.791 -0.565 11.124 1.00 1.54 N ATOM 746 CA SER A 52 10.137 -0.466 9.824 1.00 44.12 C ATOM 747 C SER A 52 11.164 -0.449 8.697 1.00 3.03 C ATOM 748 O SER A 52 10.816 -0.313 7.526 1.00 54.51 O ATOM 749 CB SER A 52 9.272 0.794 9.760 1.00 55.52 C ATOM 750 OG SER A 52 8.426 0.775 8.623 1.00 34.12 O ATOM 0 H SER A 52 11.189 0.311 11.464 1.00 1.54 H new ATOM 0 HA SER A 52 9.501 -1.342 9.698 1.00 44.12 H new ATOM 0 HB2 SER A 52 8.669 0.871 10.665 1.00 55.52 H new ATOM 0 HB3 SER A 52 9.911 1.676 9.727 1.00 55.52 H new ATOM 0 HG SER A 52 8.911 0.395 7.861 1.00 34.12 H new ATOM 756 N GLY A 53 12.435 -0.587 9.062 1.00 14.45 N ATOM 757 CA GLY A 53 13.496 -0.584 8.072 1.00 40.03 C ATOM 758 C GLY A 53 13.760 0.798 7.509 1.00 14.23 C ATOM 759 O GLY A 53 14.326 0.935 6.425 1.00 21.34 O ATOM 0 H GLY A 53 12.749 -0.701 10.026 1.00 14.45 H new ATOM 0 HA2 GLY A 53 14.410 -0.970 8.523 1.00 40.03 H new ATOM 0 HA3 GLY A 53 13.232 -1.260 7.259 1.00 40.03 H new ATOM 763 N GLU A 54 13.347 1.825 8.245 1.00 31.13 N ATOM 764 CA GLU A 54 13.540 3.203 7.810 1.00 52.11 C ATOM 765 C GLU A 54 14.153 4.045 8.925 1.00 0.31 C ATOM 766 O GLU A 54 13.662 4.054 10.054 1.00 51.32 O ATOM 767 CB GLU A 54 12.208 3.813 7.369 1.00 40.52 C ATOM 768 CG GLU A 54 11.069 3.556 8.342 1.00 10.03 C ATOM 769 CD GLU A 54 10.015 4.645 8.309 1.00 73.01 C ATOM 770 OE1 GLU A 54 10.386 5.833 8.415 1.00 31.31 O ATOM 771 OE2 GLU A 54 8.820 4.310 8.175 1.00 75.13 O1- ATOM 0 H GLU A 54 12.877 1.729 9.145 1.00 31.13 H new ATOM 0 HA GLU A 54 14.227 3.197 6.964 1.00 52.11 H new ATOM 0 HB2 GLU A 54 12.334 4.889 7.246 1.00 40.52 H new ATOM 0 HB3 GLU A 54 11.939 3.410 6.393 1.00 40.52 H new ATOM 0 HG2 GLU A 54 10.604 2.599 8.106 1.00 10.03 H new ATOM 0 HG3 GLU A 54 11.471 3.475 9.352 1.00 10.03 H new ATOM 778 N LEU A 55 15.231 4.749 8.600 1.00 5.54 N ATOM 779 CA LEU A 55 15.914 5.595 9.574 1.00 34.15 C ATOM 780 C LEU A 55 15.281 6.983 9.629 1.00 70.31 C ATOM 781 O LEU A 55 14.551 7.380 8.721 1.00 34.41 O ATOM 782 CB LEU A 55 17.399 5.713 9.224 1.00 4.21 C ATOM 783 CG LEU A 55 18.367 5.740 10.408 1.00 2.23 C ATOM 784 CD1 LEU A 55 19.664 5.030 10.052 1.00 50.42 C ATOM 785 CD2 LEU A 55 18.641 7.172 10.840 1.00 14.12 C ATOM 0 H LEU A 55 15.651 4.751 7.671 1.00 5.54 H new ATOM 0 HA LEU A 55 15.814 5.131 10.555 1.00 34.15 H new ATOM 0 HB2 LEU A 55 17.668 4.876 8.580 1.00 4.21 H new ATOM 0 HB3 LEU A 55 17.543 6.623 8.641 1.00 4.21 H new ATOM 0 HG LEU A 55 17.906 5.213 11.243 1.00 2.23 H new ATOM 0 HD11 LEU A 55 20.341 5.059 10.906 1.00 50.42 H new ATOM 0 HD12 LEU A 55 19.452 3.993 9.792 1.00 50.42 H new ATOM 0 HD13 LEU A 55 20.130 5.529 9.202 1.00 50.42 H new ATOM 0 HD21 LEU A 55 19.332 7.172 11.683 1.00 14.12 H new ATOM 0 HD22 LEU A 55 19.082 7.724 10.010 1.00 14.12 H new ATOM 0 HD23 LEU A 55 17.706 7.648 11.137 1.00 14.12 H new ATOM 797 N HIS A 56 15.569 7.716 10.700 1.00 5.15 N ATOM 798 CA HIS A 56 15.029 9.060 10.872 1.00 13.42 C ATOM 799 C HIS A 56 15.451 9.966 9.719 1.00 51.22 C ATOM 800 O HIS A 56 16.041 9.509 8.741 1.00 34.12 O ATOM 801 CB HIS A 56 15.498 9.653 12.201 1.00 32.12 C ATOM 802 CG HIS A 56 14.392 10.252 13.013 1.00 53.30 C ATOM 803 ND1 HIS A 56 14.468 11.506 13.582 1.00 23.11 N ATOM 804 CD2 HIS A 56 13.176 9.761 13.351 1.00 72.43 C ATOM 805 CE1 HIS A 56 13.348 11.760 14.234 1.00 1.32 C ATOM 806 NE2 HIS A 56 12.547 10.718 14.110 1.00 3.25 N ATOM 0 H HIS A 56 16.172 7.403 11.460 1.00 5.15 H new ATOM 0 HA HIS A 56 13.941 8.991 10.877 1.00 13.42 H new ATOM 0 HB2 HIS A 56 15.985 8.873 12.786 1.00 32.12 H new ATOM 0 HB3 HIS A 56 16.248 10.419 12.003 1.00 32.12 H new ATOM 0 HD2 HIS A 56 12.775 8.797 13.075 1.00 72.43 H new ATOM 0 HE1 HIS A 56 13.125 12.667 14.777 1.00 1.32 H new ATOM 0 HE2 HIS A 56 11.613 10.637 14.512 1.00 3.25 H new ATOM 814 N GLY A 57 15.145 11.255 9.843 1.00 61.41 N ATOM 815 CA GLY A 57 15.499 12.204 8.804 1.00 74.22 C ATOM 816 C GLY A 57 16.999 12.364 8.652 1.00 32.15 C ATOM 817 O GLY A 57 17.613 13.202 9.313 1.00 74.24 O ATOM 0 H GLY A 57 14.659 11.658 10.644 1.00 61.41 H new ATOM 0 HA2 GLY A 57 15.074 11.875 7.856 1.00 74.22 H new ATOM 0 HA3 GLY A 57 15.055 13.172 9.034 1.00 74.22 H new ATOM 821 N LEU A 58 17.592 11.555 7.778 1.00 71.24 N ATOM 822 CA LEU A 58 19.030 11.610 7.541 1.00 13.14 C ATOM 823 C LEU A 58 19.352 12.504 6.349 1.00 72.13 C ATOM 824 O LEU A 58 20.432 13.091 6.272 1.00 54.40 O ATOM 825 CB LEU A 58 19.581 10.203 7.301 1.00 52.25 C ATOM 826 CG LEU A 58 19.643 9.289 8.526 1.00 45.12 C ATOM 827 CD1 LEU A 58 20.232 7.937 8.153 1.00 71.41 C ATOM 828 CD2 LEU A 58 20.458 9.939 9.636 1.00 33.14 C ATOM 0 H LEU A 58 17.099 10.855 7.223 1.00 71.24 H new ATOM 0 HA LEU A 58 19.503 12.033 8.427 1.00 13.14 H new ATOM 0 HB2 LEU A 58 18.967 9.719 6.542 1.00 52.25 H new ATOM 0 HB3 LEU A 58 20.586 10.293 6.889 1.00 52.25 H new ATOM 0 HG LEU A 58 18.628 9.133 8.891 1.00 45.12 H new ATOM 0 HD11 LEU A 58 20.269 7.300 9.037 1.00 71.41 H new ATOM 0 HD12 LEU A 58 19.610 7.467 7.392 1.00 71.41 H new ATOM 0 HD13 LEU A 58 21.240 8.075 7.763 1.00 71.41 H new ATOM 0 HD21 LEU A 58 20.491 9.275 10.500 1.00 33.14 H new ATOM 0 HD22 LEU A 58 21.472 10.125 9.282 1.00 33.14 H new ATOM 0 HD23 LEU A 58 19.995 10.883 9.922 1.00 33.14 H new ATOM 840 N THR A 59 18.408 12.605 5.418 1.00 63.43 N ATOM 841 CA THR A 59 18.590 13.429 4.231 1.00 22.11 C ATOM 842 C THR A 59 18.880 14.878 4.605 1.00 64.24 C ATOM 843 O THR A 59 18.510 15.337 5.686 1.00 72.41 O ATOM 844 CB THR A 59 17.349 13.385 3.321 1.00 73.42 C ATOM 845 OG1 THR A 59 16.252 14.053 3.955 1.00 35.32 O ATOM 846 CG2 THR A 59 16.959 11.948 3.004 1.00 74.22 C ATOM 0 H THR A 59 17.509 12.125 5.464 1.00 63.43 H new ATOM 0 HA THR A 59 19.443 13.019 3.691 1.00 22.11 H new ATOM 0 HB THR A 59 17.593 13.893 2.388 1.00 73.42 H new ATOM 0 HG1 THR A 59 15.467 14.022 3.369 1.00 35.32 H new ATOM 0 HG21 THR A 59 16.080 11.943 2.360 1.00 74.22 H new ATOM 0 HG22 THR A 59 17.785 11.451 2.495 1.00 74.22 H new ATOM 0 HG23 THR A 59 16.733 11.420 3.930 1.00 74.22 H new ATOM 854 N THR A 60 19.545 15.595 3.704 1.00 12.24 N ATOM 855 CA THR A 60 19.885 16.993 3.940 1.00 43.44 C ATOM 856 C THR A 60 19.994 17.761 2.628 1.00 34.10 C ATOM 857 O THR A 60 19.758 17.209 1.555 1.00 22.23 O ATOM 858 CB THR A 60 21.213 17.125 4.710 1.00 21.12 C ATOM 859 OG1 THR A 60 22.238 16.370 4.054 1.00 74.34 O ATOM 860 CG2 THR A 60 21.059 16.639 6.143 1.00 41.12 C ATOM 0 H THR A 60 19.859 15.231 2.804 1.00 12.24 H new ATOM 0 HA THR A 60 19.081 17.417 4.541 1.00 43.44 H new ATOM 0 HB THR A 60 21.493 18.178 4.728 1.00 21.12 H new ATOM 0 HG1 THR A 60 23.079 16.461 4.549 1.00 74.34 H new ATOM 0 HG21 THR A 60 22.010 16.742 6.666 1.00 41.12 H new ATOM 0 HG22 THR A 60 20.299 17.235 6.650 1.00 41.12 H new ATOM 0 HG23 THR A 60 20.757 15.592 6.142 1.00 41.12 H new ATOM 868 N GLU A 61 20.351 19.038 2.724 1.00 14.50 N ATOM 869 CA GLU A 61 20.489 19.883 1.543 1.00 24.54 C ATOM 870 C GLU A 61 21.582 19.352 0.619 1.00 54.52 C ATOM 871 O GLU A 61 21.650 19.717 -0.554 1.00 63.11 O ATOM 872 CB GLU A 61 20.807 21.322 1.952 1.00 35.23 C ATOM 873 CG GLU A 61 22.052 21.450 2.814 1.00 25.21 C ATOM 874 CD GLU A 61 22.134 22.786 3.525 1.00 70.35 C ATOM 875 OE1 GLU A 61 21.211 23.609 3.350 1.00 33.30 O ATOM 876 OE2 GLU A 61 23.122 23.011 4.257 1.00 13.54 O1- ATOM 0 H GLU A 61 20.550 19.510 3.606 1.00 14.50 H new ATOM 0 HA GLU A 61 19.542 19.867 1.004 1.00 24.54 H new ATOM 0 HB2 GLU A 61 20.934 21.926 1.054 1.00 35.23 H new ATOM 0 HB3 GLU A 61 19.956 21.733 2.495 1.00 35.23 H new ATOM 0 HG2 GLU A 61 22.062 20.648 3.553 1.00 25.21 H new ATOM 0 HG3 GLU A 61 22.936 21.320 2.190 1.00 25.21 H new ATOM 883 N GLU A 62 22.438 18.489 1.160 1.00 72.32 N ATOM 884 CA GLU A 62 23.529 17.909 0.386 1.00 31.42 C ATOM 885 C GLU A 62 23.030 16.752 -0.476 1.00 1.45 C ATOM 886 O GLU A 62 23.798 16.143 -1.220 1.00 71.41 O ATOM 887 CB GLU A 62 24.642 17.423 1.315 1.00 1.21 C ATOM 888 CG GLU A 62 25.581 18.528 1.770 1.00 10.03 C ATOM 889 CD GLU A 62 26.186 19.295 0.610 1.00 2.43 C ATOM 890 OE1 GLU A 62 26.723 18.648 -0.313 1.00 32.10 O1- ATOM 891 OE2 GLU A 62 26.121 20.541 0.625 1.00 75.13 O ATOM 0 H GLU A 62 22.396 18.177 2.130 1.00 72.32 H new ATOM 0 HA GLU A 62 23.926 18.684 -0.270 1.00 31.42 H new ATOM 0 HB2 GLU A 62 24.194 16.955 2.191 1.00 1.21 H new ATOM 0 HB3 GLU A 62 25.221 16.654 0.804 1.00 1.21 H new ATOM 0 HG2 GLU A 62 25.037 19.220 2.414 1.00 10.03 H new ATOM 0 HG3 GLU A 62 26.381 18.095 2.371 1.00 10.03 H new ATOM 898 N GLU A 63 21.739 16.456 -0.368 1.00 1.55 N ATOM 899 CA GLU A 63 21.138 15.372 -1.136 1.00 2.15 C ATOM 900 C GLU A 63 21.150 15.690 -2.628 1.00 33.05 C ATOM 901 O GLU A 63 21.110 14.790 -3.468 1.00 33.04 O ATOM 902 CB GLU A 63 19.703 15.120 -0.668 1.00 4.33 C ATOM 903 CG GLU A 63 18.719 16.188 -1.118 1.00 54.34 C ATOM 904 CD GLU A 63 17.336 15.992 -0.530 1.00 22.40 C ATOM 905 OE1 GLU A 63 17.228 15.334 0.525 1.00 61.14 O ATOM 906 OE2 GLU A 63 16.361 16.497 -1.125 1.00 12.13 O1- ATOM 0 H GLU A 63 21.090 16.951 0.243 1.00 1.55 H new ATOM 0 HA GLU A 63 21.730 14.472 -0.970 1.00 2.15 H new ATOM 0 HB2 GLU A 63 19.372 14.152 -1.044 1.00 4.33 H new ATOM 0 HB3 GLU A 63 19.690 15.061 0.420 1.00 4.33 H new ATOM 0 HG2 GLU A 63 19.097 17.169 -0.830 1.00 54.34 H new ATOM 0 HG3 GLU A 63 18.652 16.179 -2.206 1.00 54.34 H new ATOM 913 N PHE A 64 21.203 16.978 -2.952 1.00 14.24 N ATOM 914 CA PHE A 64 21.219 17.417 -4.343 1.00 42.31 C ATOM 915 C PHE A 64 22.634 17.369 -4.912 1.00 11.50 C ATOM 916 O PHE A 64 23.155 18.374 -5.396 1.00 32.43 O ATOM 917 CB PHE A 64 20.658 18.836 -4.458 1.00 12.40 C ATOM 918 CG PHE A 64 20.412 19.270 -5.876 1.00 41.53 C ATOM 919 CD1 PHE A 64 19.433 18.658 -6.640 1.00 45.43 C ATOM 920 CD2 PHE A 64 21.160 20.289 -6.441 1.00 43.22 C ATOM 921 CE1 PHE A 64 19.205 19.055 -7.944 1.00 42.01 C ATOM 922 CE2 PHE A 64 20.937 20.690 -7.745 1.00 2.15 C ATOM 923 CZ PHE A 64 19.956 20.073 -8.497 1.00 13.33 C ATOM 0 H PHE A 64 21.236 17.736 -2.270 1.00 14.24 H new ATOM 0 HA PHE A 64 20.591 16.738 -4.920 1.00 42.31 H new ATOM 0 HB2 PHE A 64 19.723 18.895 -3.901 1.00 12.40 H new ATOM 0 HB3 PHE A 64 21.353 19.532 -3.989 1.00 12.40 H new ATOM 0 HD1 PHE A 64 18.841 17.862 -6.213 1.00 45.43 H new ATOM 0 HD2 PHE A 64 21.926 20.776 -5.856 1.00 43.22 H new ATOM 0 HE1 PHE A 64 18.439 18.569 -8.530 1.00 42.01 H new ATOM 0 HE2 PHE A 64 21.529 21.484 -8.175 1.00 2.15 H new ATOM 0 HZ PHE A 64 19.777 20.386 -9.515 1.00 13.33 H new ATOM 933 N VAL A 65 23.251 16.193 -4.851 1.00 14.35 N ATOM 934 CA VAL A 65 24.605 16.013 -5.360 1.00 53.13 C ATOM 935 C VAL A 65 24.646 14.941 -6.443 1.00 62.20 C ATOM 936 O VAL A 65 23.614 14.389 -6.823 1.00 61.02 O ATOM 937 CB VAL A 65 25.582 15.628 -4.234 1.00 52.31 C ATOM 938 CG1 VAL A 65 25.755 16.782 -3.258 1.00 53.55 C ATOM 939 CG2 VAL A 65 25.098 14.379 -3.513 1.00 75.10 C ATOM 0 H VAL A 65 22.834 15.351 -4.454 1.00 14.35 H new ATOM 0 HA VAL A 65 24.913 16.968 -5.786 1.00 53.13 H new ATOM 0 HB VAL A 65 26.553 15.411 -4.679 1.00 52.31 H new ATOM 0 HG11 VAL A 65 26.449 16.491 -2.470 1.00 53.55 H new ATOM 0 HG12 VAL A 65 26.150 17.650 -3.787 1.00 53.55 H new ATOM 0 HG13 VAL A 65 24.790 17.034 -2.818 1.00 53.55 H new ATOM 0 HG21 VAL A 65 25.800 14.121 -2.720 1.00 75.10 H new ATOM 0 HG22 VAL A 65 24.115 14.566 -3.080 1.00 75.10 H new ATOM 0 HG23 VAL A 65 25.031 13.553 -4.221 1.00 75.10 H new ATOM 949 N GLU A 66 25.847 14.650 -6.935 1.00 2.51 N ATOM 950 CA GLU A 66 26.022 13.643 -7.975 1.00 74.43 C ATOM 951 C GLU A 66 25.301 12.349 -7.607 1.00 23.21 C ATOM 952 O GLU A 66 24.687 11.704 -8.455 1.00 2.04 O ATOM 953 CB GLU A 66 27.510 13.365 -8.201 1.00 20.43 C ATOM 954 CG GLU A 66 28.301 14.590 -8.628 1.00 34.14 C ATOM 955 CD GLU A 66 29.643 14.236 -9.237 1.00 41.54 C ATOM 956 OE1 GLU A 66 30.436 13.545 -8.564 1.00 71.33 O ATOM 957 OE2 GLU A 66 29.900 14.648 -10.387 1.00 10.42 O1- ATOM 0 H GLU A 66 26.712 15.097 -6.630 1.00 2.51 H new ATOM 0 HA GLU A 66 25.588 14.030 -8.897 1.00 74.43 H new ATOM 0 HB2 GLU A 66 27.940 12.968 -7.282 1.00 20.43 H new ATOM 0 HB3 GLU A 66 27.615 12.592 -8.962 1.00 20.43 H new ATOM 0 HG2 GLU A 66 27.718 15.160 -9.351 1.00 34.14 H new ATOM 0 HG3 GLU A 66 28.458 15.236 -7.764 1.00 34.14 H new ATOM 964 N GLY A 67 25.383 11.975 -6.333 1.00 71.33 N ATOM 965 CA GLY A 67 24.735 10.760 -5.873 1.00 61.34 C ATOM 966 C GLY A 67 25.662 9.883 -5.056 1.00 70.12 C ATOM 967 O GLY A 67 25.273 8.803 -4.611 1.00 52.23 O ATOM 0 H GLY A 67 25.886 12.492 -5.612 1.00 71.33 H new ATOM 0 HA2 GLY A 67 23.864 11.021 -5.272 1.00 61.34 H new ATOM 0 HA3 GLY A 67 24.372 10.197 -6.733 1.00 61.34 H new ATOM 971 N ILE A 68 26.893 10.345 -4.860 1.00 31.34 N ATOM 972 CA ILE A 68 27.877 9.594 -4.092 1.00 24.21 C ATOM 973 C ILE A 68 27.563 9.642 -2.600 1.00 41.21 C ATOM 974 O ILE A 68 27.650 10.696 -1.970 1.00 52.24 O ATOM 975 CB ILE A 68 29.302 10.133 -4.322 1.00 2.11 C ATOM 976 CG1 ILE A 68 29.569 10.307 -5.819 1.00 53.05 C ATOM 977 CG2 ILE A 68 30.329 9.199 -3.701 1.00 43.11 C ATOM 978 CD1 ILE A 68 30.874 11.009 -6.122 1.00 24.51 C ATOM 0 H ILE A 68 27.232 11.236 -5.223 1.00 31.34 H new ATOM 0 HA ILE A 68 27.827 8.562 -4.439 1.00 24.21 H new ATOM 0 HB ILE A 68 29.388 11.107 -3.840 1.00 2.11 H new ATOM 0 HG12 ILE A 68 29.574 9.327 -6.295 1.00 53.05 H new ATOM 0 HG13 ILE A 68 28.750 10.873 -6.263 1.00 53.05 H new ATOM 0 HG21 ILE A 68 31.330 9.594 -3.872 1.00 43.11 H new ATOM 0 HG22 ILE A 68 30.148 9.121 -2.629 1.00 43.11 H new ATOM 0 HG23 ILE A 68 30.245 8.212 -4.156 1.00 43.11 H new ATOM 0 HD11 ILE A 68 30.997 11.098 -7.201 1.00 24.51 H new ATOM 0 HD12 ILE A 68 30.865 12.003 -5.675 1.00 24.51 H new ATOM 0 HD13 ILE A 68 31.702 10.433 -5.708 1.00 24.51 H new ATOM 990 N TYR A 69 27.200 8.493 -2.042 1.00 43.21 N ATOM 991 CA TYR A 69 26.871 8.403 -0.623 1.00 1.03 C ATOM 992 C TYR A 69 27.436 7.124 -0.013 1.00 42.24 C ATOM 993 O TYR A 69 27.167 6.022 -0.493 1.00 25.42 O ATOM 994 CB TYR A 69 25.356 8.450 -0.425 1.00 41.35 C ATOM 995 CG TYR A 69 24.678 9.561 -1.195 1.00 60.55 C ATOM 996 CD1 TYR A 69 24.964 10.894 -0.927 1.00 42.53 C ATOM 997 CD2 TYR A 69 23.754 9.278 -2.193 1.00 31.35 C ATOM 998 CE1 TYR A 69 24.346 11.912 -1.627 1.00 61.22 C ATOM 999 CE2 TYR A 69 23.132 10.289 -2.900 1.00 73.53 C ATOM 1000 CZ TYR A 69 23.432 11.605 -2.612 1.00 22.23 C ATOM 1001 OH TYR A 69 22.815 12.616 -3.314 1.00 34.52 O ATOM 0 H TYR A 69 27.126 7.611 -2.549 1.00 43.21 H new ATOM 0 HA TYR A 69 27.323 9.256 -0.117 1.00 1.03 H new ATOM 0 HB2 TYR A 69 24.929 7.495 -0.730 1.00 41.35 H new ATOM 0 HB3 TYR A 69 25.140 8.571 0.637 1.00 41.35 H new ATOM 0 HD1 TYR A 69 25.682 11.138 -0.158 1.00 42.53 H new ATOM 0 HD2 TYR A 69 23.518 8.249 -2.420 1.00 31.35 H new ATOM 0 HE1 TYR A 69 24.578 12.943 -1.404 1.00 61.22 H new ATOM 0 HE2 TYR A 69 22.416 10.051 -3.673 1.00 73.53 H new ATOM 0 HH TYR A 69 22.273 13.156 -2.702 1.00 34.52 H new ATOM 1011 N LYS A 70 28.221 7.278 1.047 1.00 53.02 N ATOM 1012 CA LYS A 70 28.823 6.137 1.726 1.00 22.35 C ATOM 1013 C LYS A 70 28.166 5.902 3.083 1.00 44.40 C ATOM 1014 O LYS A 70 28.426 6.627 4.043 1.00 32.24 O ATOM 1015 CB LYS A 70 30.327 6.361 1.908 1.00 11.12 C ATOM 1016 CG LYS A 70 31.072 6.568 0.601 1.00 64.32 C ATOM 1017 CD LYS A 70 31.032 8.022 0.161 1.00 64.11 C ATOM 1018 CE LYS A 70 32.411 8.661 0.221 1.00 50.51 C ATOM 1019 NZ LYS A 70 33.311 8.141 -0.845 1.00 34.32 N1+ ATOM 0 H LYS A 70 28.456 8.183 1.455 1.00 53.02 H new ATOM 0 HA LYS A 70 28.665 5.253 1.108 1.00 22.35 H new ATOM 0 HB2 LYS A 70 30.482 7.231 2.547 1.00 11.12 H new ATOM 0 HB3 LYS A 70 30.754 5.503 2.428 1.00 11.12 H new ATOM 0 HG2 LYS A 70 32.108 6.250 0.717 1.00 64.32 H new ATOM 0 HG3 LYS A 70 30.631 5.940 -0.173 1.00 64.32 H new ATOM 0 HD2 LYS A 70 30.645 8.085 -0.856 1.00 64.11 H new ATOM 0 HD3 LYS A 70 30.344 8.577 0.799 1.00 64.11 H new ATOM 0 HE2 LYS A 70 32.315 9.742 0.119 1.00 50.51 H new ATOM 0 HE3 LYS A 70 32.857 8.471 1.197 1.00 50.51 H new ATOM 0 HZ1 LYS A 70 34.189 7.786 -0.415 1.00 34.32 H new ATOM 0 HZ2 LYS A 70 32.837 7.367 -1.353 1.00 34.32 H new ATOM 0 HZ3 LYS A 70 33.537 8.906 -1.513 1.00 34.32 H new ATOM 1033 N VAL A 71 27.316 4.883 3.154 1.00 65.12 N ATOM 1034 CA VAL A 71 26.624 4.550 4.394 1.00 43.30 C ATOM 1035 C VAL A 71 27.271 3.352 5.080 1.00 4.12 C ATOM 1036 O VAL A 71 27.497 2.316 4.457 1.00 32.12 O ATOM 1037 CB VAL A 71 25.136 4.242 4.141 1.00 43.54 C ATOM 1038 CG1 VAL A 71 24.444 3.849 5.438 1.00 72.13 C ATOM 1039 CG2 VAL A 71 24.446 5.435 3.499 1.00 13.51 C ATOM 0 H VAL A 71 27.090 4.274 2.368 1.00 65.12 H new ATOM 0 HA VAL A 71 26.701 5.422 5.044 1.00 43.30 H new ATOM 0 HB VAL A 71 25.070 3.400 3.452 1.00 43.54 H new ATOM 0 HG11 VAL A 71 23.394 3.635 5.240 1.00 72.13 H new ATOM 0 HG12 VAL A 71 24.923 2.962 5.852 1.00 72.13 H new ATOM 0 HG13 VAL A 71 24.519 4.668 6.153 1.00 72.13 H new ATOM 0 HG21 VAL A 71 23.396 5.199 3.328 1.00 13.51 H new ATOM 0 HG22 VAL A 71 24.521 6.298 4.161 1.00 13.51 H new ATOM 0 HG23 VAL A 71 24.926 5.664 2.548 1.00 13.51 H new ATOM 1049 N GLU A 72 27.565 3.502 6.367 1.00 21.11 N ATOM 1050 CA GLU A 72 28.186 2.432 7.139 1.00 23.21 C ATOM 1051 C GLU A 72 27.267 1.969 8.266 1.00 64.10 C ATOM 1052 O GLU A 72 26.639 2.784 8.943 1.00 4.11 O ATOM 1053 CB GLU A 72 29.524 2.899 7.715 1.00 23.23 C ATOM 1054 CG GLU A 72 29.393 3.630 9.041 1.00 11.22 C ATOM 1055 CD GLU A 72 30.552 4.572 9.306 1.00 2.12 C ATOM 1056 OE1 GLU A 72 31.161 5.050 8.326 1.00 13.44 O ATOM 1057 OE2 GLU A 72 30.851 4.829 10.490 1.00 15.25 O1- ATOM 0 H GLU A 72 27.383 4.354 6.897 1.00 21.11 H new ATOM 0 HA GLU A 72 28.361 1.590 6.469 1.00 23.21 H new ATOM 0 HB2 GLU A 72 30.174 2.034 7.849 1.00 23.23 H new ATOM 0 HB3 GLU A 72 30.011 3.556 6.994 1.00 23.23 H new ATOM 0 HG2 GLU A 72 28.461 4.195 9.049 1.00 11.22 H new ATOM 0 HG3 GLU A 72 29.331 2.901 9.849 1.00 11.22 H new ATOM 1064 N ILE A 73 27.194 0.657 8.460 1.00 64.22 N ATOM 1065 CA ILE A 73 26.353 0.086 9.505 1.00 54.32 C ATOM 1066 C ILE A 73 27.196 -0.591 10.580 1.00 14.42 C ATOM 1067 O ILE A 73 28.020 -1.457 10.285 1.00 11.03 O ATOM 1068 CB ILE A 73 25.358 -0.939 8.929 1.00 65.52 C ATOM 1069 CG1 ILE A 73 24.425 -0.264 7.921 1.00 2.33 C ATOM 1070 CG2 ILE A 73 24.557 -1.586 10.048 1.00 24.31 C ATOM 1071 CD1 ILE A 73 24.520 -0.846 6.528 1.00 1.34 C ATOM 0 H ILE A 73 27.707 -0.031 7.908 1.00 64.22 H new ATOM 0 HA ILE A 73 25.797 0.912 9.949 1.00 54.32 H new ATOM 0 HB ILE A 73 25.919 -1.718 8.413 1.00 65.52 H new ATOM 0 HG12 ILE A 73 23.397 -0.352 8.274 1.00 2.33 H new ATOM 0 HG13 ILE A 73 24.658 0.800 7.878 1.00 2.33 H new ATOM 0 HG21 ILE A 73 23.858 -2.308 9.625 1.00 24.31 H new ATOM 0 HG22 ILE A 73 25.235 -2.095 10.733 1.00 24.31 H new ATOM 0 HG23 ILE A 73 24.003 -0.819 10.589 1.00 24.31 H new ATOM 0 HD11 ILE A 73 23.832 -0.320 5.866 1.00 1.34 H new ATOM 0 HD12 ILE A 73 25.538 -0.734 6.156 1.00 1.34 H new ATOM 0 HD13 ILE A 73 24.258 -1.904 6.557 1.00 1.34 H new ATOM 1083 N ASP A 74 26.984 -0.191 11.829 1.00 44.44 N ATOM 1084 CA ASP A 74 27.722 -0.760 12.950 1.00 10.11 C ATOM 1085 C ASP A 74 27.016 -1.999 13.493 1.00 13.42 C ATOM 1086 O ASP A 74 26.209 -1.912 14.420 1.00 64.24 O ATOM 1087 CB ASP A 74 27.883 0.277 14.062 1.00 20.22 C ATOM 1088 CG ASP A 74 29.316 0.754 14.205 1.00 1.12 C ATOM 1089 OD1 ASP A 74 30.113 0.049 14.859 1.00 62.12 O1- ATOM 1090 OD2 ASP A 74 29.640 1.832 13.665 1.00 11.04 O ATOM 0 H ASP A 74 26.307 0.525 12.090 1.00 44.44 H new ATOM 0 HA ASP A 74 28.709 -1.053 12.591 1.00 10.11 H new ATOM 0 HB2 ASP A 74 27.238 1.131 13.855 1.00 20.22 H new ATOM 0 HB3 ASP A 74 27.550 -0.153 15.007 1.00 20.22 H new ATOM 1095 N THR A 75 27.323 -3.153 12.909 1.00 2.21 N ATOM 1096 CA THR A 75 26.716 -4.409 13.331 1.00 43.11 C ATOM 1097 C THR A 75 27.474 -5.018 14.506 1.00 52.03 C ATOM 1098 O THR A 75 26.920 -5.803 15.275 1.00 42.55 O ATOM 1099 CB THR A 75 26.674 -5.429 12.177 1.00 63.11 C ATOM 1100 OG1 THR A 75 28.005 -5.740 11.750 1.00 13.12 O ATOM 1101 CG2 THR A 75 25.874 -4.885 11.004 1.00 71.34 C ATOM 0 H THR A 75 27.989 -3.244 12.142 1.00 2.21 H new ATOM 0 HA THR A 75 25.696 -4.179 13.640 1.00 43.11 H new ATOM 0 HB THR A 75 26.188 -6.335 12.539 1.00 63.11 H new ATOM 0 HG1 THR A 75 28.109 -6.712 11.685 1.00 13.12 H new ATOM 0 HG21 THR A 75 25.858 -5.622 10.201 1.00 71.34 H new ATOM 0 HG22 THR A 75 24.854 -4.676 11.325 1.00 71.34 H new ATOM 0 HG23 THR A 75 26.336 -3.966 10.643 1.00 71.34 H new ATOM 1109 N LYS A 76 28.744 -4.650 14.638 1.00 11.51 N ATOM 1110 CA LYS A 76 29.579 -5.159 15.719 1.00 2.32 C ATOM 1111 C LYS A 76 28.999 -4.780 17.079 1.00 63.31 C ATOM 1112 O LYS A 76 29.112 -5.535 18.045 1.00 10.13 O ATOM 1113 CB LYS A 76 31.003 -4.613 15.592 1.00 70.33 C ATOM 1114 CG LYS A 76 31.124 -3.140 15.941 1.00 30.31 C ATOM 1115 CD LYS A 76 31.559 -2.944 17.384 1.00 0.13 C ATOM 1116 CE LYS A 76 31.052 -1.624 17.944 1.00 10.32 C ATOM 1117 NZ LYS A 76 32.169 -0.733 18.364 1.00 64.52 N1+ ATOM 0 H LYS A 76 29.217 -4.001 14.009 1.00 11.51 H new ATOM 0 HA LYS A 76 29.604 -6.246 15.643 1.00 2.32 H new ATOM 0 HB2 LYS A 76 31.662 -5.187 16.243 1.00 70.33 H new ATOM 0 HB3 LYS A 76 31.352 -4.765 14.571 1.00 70.33 H new ATOM 0 HG2 LYS A 76 31.844 -2.665 15.275 1.00 30.31 H new ATOM 0 HG3 LYS A 76 30.166 -2.646 15.778 1.00 30.31 H new ATOM 0 HD2 LYS A 76 31.185 -3.767 17.993 1.00 0.13 H new ATOM 0 HD3 LYS A 76 32.647 -2.972 17.444 1.00 0.13 H new ATOM 0 HE2 LYS A 76 30.448 -1.118 17.191 1.00 10.32 H new ATOM 0 HE3 LYS A 76 30.402 -1.817 18.797 1.00 10.32 H new ATOM 0 HZ1 LYS A 76 31.781 0.156 18.740 1.00 64.52 H new ATOM 0 HZ2 LYS A 76 32.731 -1.205 19.101 1.00 64.52 H new ATOM 0 HZ3 LYS A 76 32.776 -0.527 17.545 1.00 64.52 H new ATOM 1131 N SER A 77 28.376 -3.608 17.145 1.00 12.32 N ATOM 1132 CA SER A 77 27.780 -3.129 18.386 1.00 40.54 C ATOM 1133 C SER A 77 26.329 -3.584 18.504 1.00 72.24 C ATOM 1134 O SER A 77 25.757 -3.600 19.594 1.00 3.31 O ATOM 1135 CB SER A 77 27.854 -1.602 18.456 1.00 24.54 C ATOM 1136 OG SER A 77 28.348 -1.173 19.714 1.00 62.42 O ATOM 0 H SER A 77 28.271 -2.973 16.354 1.00 12.32 H new ATOM 0 HA SER A 77 28.344 -3.552 19.217 1.00 40.54 H new ATOM 0 HB2 SER A 77 28.500 -1.229 17.661 1.00 24.54 H new ATOM 0 HB3 SER A 77 26.864 -1.178 18.287 1.00 24.54 H new ATOM 0 HG SER A 77 28.388 -0.194 19.733 1.00 62.42 H new ATOM 1142 N TYR A 78 25.739 -3.956 17.373 1.00 33.14 N ATOM 1143 CA TYR A 78 24.353 -4.410 17.347 1.00 43.04 C ATOM 1144 C TYR A 78 24.243 -5.850 17.838 1.00 22.45 C ATOM 1145 O TYR A 78 23.223 -6.251 18.398 1.00 1.02 O ATOM 1146 CB TYR A 78 23.785 -4.298 15.932 1.00 4.32 C ATOM 1147 CG TYR A 78 22.438 -4.966 15.766 1.00 61.13 C ATOM 1148 CD1 TYR A 78 21.297 -4.426 16.346 1.00 50.52 C ATOM 1149 CD2 TYR A 78 22.308 -6.136 15.028 1.00 52.42 C ATOM 1150 CE1 TYR A 78 20.065 -5.033 16.198 1.00 70.55 C ATOM 1151 CE2 TYR A 78 21.079 -6.749 14.873 1.00 61.52 C ATOM 1152 CZ TYR A 78 19.961 -6.194 15.460 1.00 70.05 C ATOM 1153 OH TYR A 78 18.736 -6.803 15.309 1.00 34.34 O ATOM 0 H TYR A 78 26.199 -3.952 16.462 1.00 33.14 H new ATOM 0 HA TYR A 78 23.775 -3.772 18.015 1.00 43.04 H new ATOM 0 HB2 TYR A 78 23.694 -3.244 15.668 1.00 4.32 H new ATOM 0 HB3 TYR A 78 24.491 -4.742 15.230 1.00 4.32 H new ATOM 0 HD1 TYR A 78 21.375 -3.516 16.922 1.00 50.52 H new ATOM 0 HD2 TYR A 78 23.182 -6.574 14.568 1.00 52.42 H new ATOM 0 HE1 TYR A 78 19.188 -4.601 16.657 1.00 70.55 H new ATOM 0 HE2 TYR A 78 20.994 -7.658 14.295 1.00 61.52 H new ATOM 0 HH TYR A 78 18.696 -7.245 14.435 1.00 34.34 H new ATOM 1163 N TRP A 79 25.302 -6.624 17.624 1.00 42.11 N ATOM 1164 CA TRP A 79 25.325 -8.020 18.045 1.00 34.33 C ATOM 1165 C TRP A 79 25.781 -8.144 19.496 1.00 45.25 C ATOM 1166 O TRP A 79 25.522 -9.152 20.154 1.00 50.44 O ATOM 1167 CB TRP A 79 26.250 -8.833 17.137 1.00 11.24 C ATOM 1168 CG TRP A 79 25.747 -8.949 15.731 1.00 33.12 C ATOM 1169 CD1 TRP A 79 24.474 -9.247 15.337 1.00 13.21 C ATOM 1170 CD2 TRP A 79 26.508 -8.772 14.530 1.00 23.44 C ATOM 1171 NE1 TRP A 79 24.398 -9.266 13.965 1.00 13.32 N ATOM 1172 CE2 TRP A 79 25.632 -8.977 13.446 1.00 40.35 C ATOM 1173 CE3 TRP A 79 27.844 -8.457 14.267 1.00 60.30 C ATOM 1174 CZ2 TRP A 79 26.051 -8.878 12.122 1.00 71.44 C ATOM 1175 CZ3 TRP A 79 28.258 -8.360 12.952 1.00 22.15 C ATOM 1176 CH2 TRP A 79 27.364 -8.570 11.894 1.00 55.42 C ATOM 0 H TRP A 79 26.155 -6.308 17.162 1.00 42.11 H new ATOM 0 HA TRP A 79 24.312 -8.414 17.967 1.00 34.33 H new ATOM 0 HB2 TRP A 79 27.236 -8.369 17.126 1.00 11.24 H new ATOM 0 HB3 TRP A 79 26.372 -9.832 17.555 1.00 11.24 H new ATOM 0 HD1 TRP A 79 23.648 -9.440 16.006 1.00 13.21 H new ATOM 0 HE1 TRP A 79 23.558 -9.463 13.421 1.00 13.32 H new ATOM 0 HE3 TRP A 79 28.540 -8.292 15.076 1.00 60.30 H new ATOM 0 HZ2 TRP A 79 25.364 -9.039 11.304 1.00 71.44 H new ATOM 0 HZ3 TRP A 79 29.288 -8.118 12.736 1.00 22.15 H new ATOM 0 HH2 TRP A 79 27.719 -8.487 10.877 1.00 55.42 H new ATOM 1187 N LYS A 80 26.459 -7.113 19.988 1.00 50.41 N ATOM 1188 CA LYS A 80 26.949 -7.105 21.362 1.00 54.32 C ATOM 1189 C LYS A 80 25.875 -6.601 22.320 1.00 54.00 C ATOM 1190 O LYS A 80 25.957 -6.816 23.529 1.00 50.04 O ATOM 1191 CB LYS A 80 28.199 -6.231 21.474 1.00 61.21 C ATOM 1192 CG LYS A 80 27.894 -4.753 21.648 1.00 73.40 C ATOM 1193 CD LYS A 80 28.000 -4.330 23.104 1.00 71.12 C ATOM 1194 CE LYS A 80 29.437 -4.393 23.600 1.00 24.41 C ATOM 1195 NZ LYS A 80 29.587 -3.772 24.945 1.00 51.34 N1+ ATOM 0 H LYS A 80 26.682 -6.272 19.456 1.00 50.41 H new ATOM 0 HA LYS A 80 27.203 -8.129 21.637 1.00 54.32 H new ATOM 0 HB2 LYS A 80 28.796 -6.572 22.320 1.00 61.21 H new ATOM 0 HB3 LYS A 80 28.807 -6.365 20.579 1.00 61.21 H new ATOM 0 HG2 LYS A 80 28.586 -4.164 21.046 1.00 73.40 H new ATOM 0 HG3 LYS A 80 26.890 -4.542 21.279 1.00 73.40 H new ATOM 0 HD2 LYS A 80 27.619 -3.315 23.218 1.00 71.12 H new ATOM 0 HD3 LYS A 80 27.373 -4.977 23.718 1.00 71.12 H new ATOM 0 HE2 LYS A 80 29.762 -5.433 23.642 1.00 24.41 H new ATOM 0 HE3 LYS A 80 30.089 -3.884 22.890 1.00 24.41 H new ATOM 0 HZ1 LYS A 80 30.580 -3.835 25.248 1.00 51.34 H new ATOM 0 HZ2 LYS A 80 29.301 -2.773 24.900 1.00 51.34 H new ATOM 0 HZ3 LYS A 80 28.984 -4.274 25.628 1.00 51.34 H new ATOM 1209 N ALA A 81 24.867 -5.930 21.771 1.00 25.51 N ATOM 1210 CA ALA A 81 23.776 -5.398 22.577 1.00 23.43 C ATOM 1211 C ALA A 81 22.727 -6.469 22.857 1.00 74.11 C ATOM 1212 O ALA A 81 22.259 -6.614 23.988 1.00 11.21 O ATOM 1213 CB ALA A 81 23.139 -4.203 21.881 1.00 4.11 C ATOM 0 H ALA A 81 24.784 -5.742 20.772 1.00 25.51 H new ATOM 0 HA ALA A 81 24.189 -5.072 23.532 1.00 23.43 H new ATOM 0 HB1 ALA A 81 22.325 -3.816 22.494 1.00 4.11 H new ATOM 0 HB2 ALA A 81 23.888 -3.424 21.737 1.00 4.11 H new ATOM 0 HB3 ALA A 81 22.747 -4.513 20.912 1.00 4.11 H new ATOM 1219 N LEU A 82 22.361 -7.218 21.822 1.00 72.45 N ATOM 1220 CA LEU A 82 21.367 -8.277 21.956 1.00 71.44 C ATOM 1221 C LEU A 82 22.037 -9.623 22.216 1.00 25.04 C ATOM 1222 O LEU A 82 21.365 -10.627 22.445 1.00 54.03 O ATOM 1223 CB LEU A 82 20.506 -8.357 20.695 1.00 34.13 C ATOM 1224 CG LEU A 82 19.683 -7.112 20.362 1.00 12.53 C ATOM 1225 CD1 LEU A 82 19.115 -6.494 21.630 1.00 33.35 C ATOM 1226 CD2 LEU A 82 20.531 -6.099 19.607 1.00 33.50 C ATOM 0 H LEU A 82 22.738 -7.111 20.880 1.00 72.45 H new ATOM 0 HA LEU A 82 20.730 -8.039 22.808 1.00 71.44 H new ATOM 0 HB2 LEU A 82 21.157 -8.574 19.848 1.00 34.13 H new ATOM 0 HB3 LEU A 82 19.824 -9.201 20.798 1.00 34.13 H new ATOM 0 HG LEU A 82 18.852 -7.409 19.723 1.00 12.53 H new ATOM 0 HD11 LEU A 82 18.532 -5.609 21.374 1.00 33.35 H new ATOM 0 HD12 LEU A 82 18.473 -7.218 22.132 1.00 33.35 H new ATOM 0 HD13 LEU A 82 19.932 -6.211 22.294 1.00 33.35 H new ATOM 0 HD21 LEU A 82 19.929 -5.219 19.378 1.00 33.50 H new ATOM 0 HD22 LEU A 82 21.382 -5.807 20.222 1.00 33.50 H new ATOM 0 HD23 LEU A 82 20.890 -6.544 18.679 1.00 33.50 H new ATOM 1238 N GLY A 83 23.366 -9.633 22.181 1.00 74.52 N ATOM 1239 CA GLY A 83 24.104 -10.860 22.417 1.00 61.44 C ATOM 1240 C GLY A 83 23.902 -11.879 21.313 1.00 64.05 C ATOM 1241 O GLY A 83 23.652 -13.055 21.582 1.00 12.21 O ATOM 0 H GLY A 83 23.944 -8.814 21.994 1.00 74.52 H new ATOM 0 HA2 GLY A 83 25.166 -10.630 22.506 1.00 61.44 H new ATOM 0 HA3 GLY A 83 23.791 -11.292 23.368 1.00 61.44 H new ATOM 1245 N ILE A 84 24.010 -11.429 20.067 1.00 55.22 N ATOM 1246 CA ILE A 84 23.837 -12.310 18.920 1.00 13.14 C ATOM 1247 C ILE A 84 25.164 -12.934 18.501 1.00 55.44 C ATOM 1248 O ILE A 84 26.232 -12.389 18.778 1.00 14.52 O ATOM 1249 CB ILE A 84 23.235 -11.558 17.718 1.00 32.24 C ATOM 1250 CG1 ILE A 84 22.049 -10.702 18.167 1.00 51.22 C ATOM 1251 CG2 ILE A 84 22.806 -12.541 16.638 1.00 0.21 C ATOM 1252 CD1 ILE A 84 20.902 -11.508 18.737 1.00 63.44 C ATOM 0 H ILE A 84 24.217 -10.459 19.827 1.00 55.22 H new ATOM 0 HA ILE A 84 23.149 -13.097 19.228 1.00 13.14 H new ATOM 0 HB ILE A 84 23.998 -10.900 17.301 1.00 32.24 H new ATOM 0 HG12 ILE A 84 22.390 -9.989 18.918 1.00 51.22 H new ATOM 0 HG13 ILE A 84 21.688 -10.122 17.318 1.00 51.22 H new ATOM 0 HG21 ILE A 84 22.383 -11.994 15.796 1.00 0.21 H new ATOM 0 HG22 ILE A 84 23.671 -13.113 16.302 1.00 0.21 H new ATOM 0 HG23 ILE A 84 22.057 -13.221 17.042 1.00 0.21 H new ATOM 0 HD11 ILE A 84 20.097 -10.836 19.034 1.00 63.44 H new ATOM 0 HD12 ILE A 84 20.534 -12.202 17.981 1.00 63.44 H new ATOM 0 HD13 ILE A 84 21.247 -12.067 19.607 1.00 63.44 H new ATOM 1264 N SER A 85 25.088 -14.078 17.828 1.00 21.13 N ATOM 1265 CA SER A 85 26.284 -14.777 17.371 1.00 50.52 C ATOM 1266 C SER A 85 27.229 -13.822 16.650 1.00 44.03 C ATOM 1267 O SER A 85 26.836 -12.754 16.181 1.00 31.33 O ATOM 1268 CB SER A 85 25.901 -15.933 16.445 1.00 54.22 C ATOM 1269 OG SER A 85 26.497 -15.781 15.168 1.00 53.22 O ATOM 0 H SER A 85 24.211 -14.540 17.587 1.00 21.13 H new ATOM 0 HA SER A 85 26.799 -15.177 18.245 1.00 50.52 H new ATOM 0 HB2 SER A 85 26.217 -16.878 16.887 1.00 54.22 H new ATOM 0 HB3 SER A 85 24.817 -15.976 16.341 1.00 54.22 H new ATOM 0 HG SER A 85 26.239 -16.533 14.595 1.00 53.22 H new ATOM 1275 N PRO A 86 28.507 -14.216 16.556 1.00 0.11 N ATOM 1276 CA PRO A 86 29.537 -13.411 15.892 1.00 54.45 C ATOM 1277 C PRO A 86 29.342 -13.352 14.380 1.00 45.13 C ATOM 1278 O PRO A 86 28.467 -14.022 13.832 1.00 52.05 O ATOM 1279 CB PRO A 86 30.837 -14.143 16.236 1.00 32.51 C ATOM 1280 CG PRO A 86 30.422 -15.551 16.488 1.00 54.43 C ATOM 1281 CD PRO A 86 29.047 -15.477 17.091 1.00 54.42 C ATOM 0 HA PRO A 86 29.517 -12.372 16.221 1.00 54.45 H new ATOM 0 HB2 PRO A 86 31.554 -14.082 15.418 1.00 32.51 H new ATOM 0 HB3 PRO A 86 31.316 -13.708 17.113 1.00 32.51 H new ATOM 0 HG2 PRO A 86 30.411 -16.126 15.562 1.00 54.43 H new ATOM 0 HG3 PRO A 86 31.118 -16.048 17.164 1.00 54.43 H new ATOM 0 HD2 PRO A 86 28.435 -16.331 16.801 1.00 54.42 H new ATOM 0 HD3 PRO A 86 29.086 -15.467 18.180 1.00 54.42 H new ATOM 1289 N MET A 87 30.164 -12.549 13.713 1.00 52.20 N ATOM 1290 CA MET A 87 30.081 -12.405 12.264 1.00 11.03 C ATOM 1291 C MET A 87 31.217 -11.532 11.740 1.00 60.21 C ATOM 1292 O MET A 87 31.800 -10.742 12.482 1.00 33.13 O ATOM 1293 CB MET A 87 28.733 -11.804 11.865 1.00 52.31 C ATOM 1294 CG MET A 87 28.371 -12.038 10.407 1.00 30.23 C ATOM 1295 SD MET A 87 28.066 -13.777 10.038 1.00 71.42 S ATOM 1296 CE MET A 87 29.502 -14.167 9.040 1.00 23.32 C ATOM 0 H MET A 87 30.895 -11.989 14.152 1.00 52.20 H new ATOM 0 HA MET A 87 30.173 -13.396 11.819 1.00 11.03 H new ATOM 0 HB2 MET A 87 27.953 -12.229 12.497 1.00 52.31 H new ATOM 0 HB3 MET A 87 28.751 -10.732 12.059 1.00 52.31 H new ATOM 0 HG2 MET A 87 27.483 -11.457 10.159 1.00 30.23 H new ATOM 0 HG3 MET A 87 29.178 -11.672 9.773 1.00 30.23 H new ATOM 0 HE1 MET A 87 29.316 -15.081 8.476 1.00 23.32 H new ATOM 0 HE2 MET A 87 29.698 -13.348 8.348 1.00 23.32 H new ATOM 0 HE3 MET A 87 30.367 -14.310 9.687 1.00 23.32 H new ATOM 1306 N HIS A 88 31.525 -11.678 10.454 1.00 53.41 N ATOM 1307 CA HIS A 88 32.590 -10.901 9.830 1.00 33.42 C ATOM 1308 C HIS A 88 32.324 -9.405 9.970 1.00 73.05 C ATOM 1309 O HIS A 88 31.344 -8.995 10.590 1.00 73.13 O ATOM 1310 CB HIS A 88 32.724 -11.273 8.354 1.00 42.20 C ATOM 1311 CG HIS A 88 34.142 -11.348 7.880 1.00 1.22 C ATOM 1312 ND1 HIS A 88 34.570 -10.793 6.692 1.00 11.32 N ATOM 1313 CD2 HIS A 88 35.235 -11.915 8.443 1.00 14.24 C ATOM 1314 CE1 HIS A 88 35.862 -11.017 6.544 1.00 62.14 C ATOM 1315 NE2 HIS A 88 36.291 -11.696 7.593 1.00 62.24 N ATOM 0 H HIS A 88 31.052 -12.327 9.825 1.00 53.41 H new ATOM 0 HA HIS A 88 33.524 -11.135 10.341 1.00 33.42 H new ATOM 0 HB2 HIS A 88 32.242 -12.236 8.186 1.00 42.20 H new ATOM 0 HB3 HIS A 88 32.187 -10.539 7.753 1.00 42.20 H new ATOM 0 HD2 HIS A 88 35.270 -12.442 9.385 1.00 14.24 H new ATOM 0 HE1 HIS A 88 36.466 -10.699 5.707 1.00 62.14 H new ATOM 0 HE2 HIS A 88 37.250 -12.007 7.746 1.00 62.24 H new ATOM 1323 N GLU A 89 33.204 -8.596 9.387 1.00 70.23 N ATOM 1324 CA GLU A 89 33.064 -7.146 9.447 1.00 14.34 C ATOM 1325 C GLU A 89 31.734 -6.703 8.846 1.00 75.32 C ATOM 1326 O GLU A 89 31.261 -7.276 7.865 1.00 72.42 O ATOM 1327 CB GLU A 89 34.221 -6.468 8.710 1.00 53.11 C ATOM 1328 CG GLU A 89 34.540 -5.075 9.227 1.00 61.24 C ATOM 1329 CD GLU A 89 35.675 -4.418 8.467 1.00 1.31 C ATOM 1330 OE1 GLU A 89 36.252 -5.076 7.576 1.00 4.11 O ATOM 1331 OE2 GLU A 89 35.988 -3.246 8.765 1.00 3.31 O1- ATOM 0 H GLU A 89 34.020 -8.920 8.868 1.00 70.23 H new ATOM 0 HA GLU A 89 33.087 -6.848 10.495 1.00 14.34 H new ATOM 0 HB2 GLU A 89 35.111 -7.091 8.797 1.00 53.11 H new ATOM 0 HB3 GLU A 89 33.978 -6.406 7.649 1.00 53.11 H new ATOM 0 HG2 GLU A 89 33.649 -4.451 9.154 1.00 61.24 H new ATOM 0 HG3 GLU A 89 34.801 -5.134 10.284 1.00 61.24 H new ATOM 1338 N HIS A 90 31.134 -5.677 9.444 1.00 74.52 N ATOM 1339 CA HIS A 90 29.857 -5.155 8.968 1.00 55.24 C ATOM 1340 C HIS A 90 29.916 -4.857 7.473 1.00 4.33 C ATOM 1341 O HIS A 90 30.996 -4.725 6.898 1.00 31.43 O ATOM 1342 CB HIS A 90 29.480 -3.890 9.739 1.00 13.21 C ATOM 1343 CG HIS A 90 30.502 -2.800 9.636 1.00 63.34 C ATOM 1344 ND1 HIS A 90 30.520 -1.880 8.610 1.00 35.31 N ATOM 1345 CD2 HIS A 90 31.544 -2.484 10.441 1.00 64.40 C ATOM 1346 CE1 HIS A 90 31.530 -1.046 8.786 1.00 72.11 C ATOM 1347 NE2 HIS A 90 32.167 -1.391 9.891 1.00 23.52 N ATOM 0 H HIS A 90 31.511 -5.192 10.258 1.00 74.52 H new ATOM 0 HA HIS A 90 29.095 -5.915 9.139 1.00 55.24 H new ATOM 0 HB2 HIS A 90 28.525 -3.518 9.367 1.00 13.21 H new ATOM 0 HB3 HIS A 90 29.336 -4.144 10.789 1.00 13.21 H new ATOM 0 HD2 HIS A 90 31.832 -2.996 11.347 1.00 64.40 H new ATOM 0 HE1 HIS A 90 31.790 -0.223 8.137 1.00 72.11 H new ATOM 0 HE2 HIS A 90 32.988 -0.922 10.273 1.00 23.52 H new ATOM 1355 N ALA A 91 28.747 -4.752 6.849 1.00 73.52 N ATOM 1356 CA ALA A 91 28.666 -4.467 5.421 1.00 22.23 C ATOM 1357 C ALA A 91 28.337 -2.999 5.173 1.00 61.21 C ATOM 1358 O ALA A 91 27.386 -2.462 5.738 1.00 23.03 O ATOM 1359 CB ALA A 91 27.626 -5.362 4.764 1.00 3.52 C ATOM 0 H ALA A 91 27.843 -4.860 7.310 1.00 73.52 H new ATOM 0 HA ALA A 91 29.640 -4.674 4.977 1.00 22.23 H new ATOM 0 HB1 ALA A 91 27.575 -5.139 3.698 1.00 3.52 H new ATOM 0 HB2 ALA A 91 27.905 -6.407 4.904 1.00 3.52 H new ATOM 0 HB3 ALA A 91 26.652 -5.182 5.219 1.00 3.52 H new ATOM 1365 N GLU A 92 29.131 -2.355 4.323 1.00 73.32 N ATOM 1366 CA GLU A 92 28.924 -0.948 4.001 1.00 2.25 C ATOM 1367 C GLU A 92 28.433 -0.786 2.566 1.00 25.30 C ATOM 1368 O GLU A 92 28.608 -1.675 1.732 1.00 13.50 O ATOM 1369 CB GLU A 92 30.222 -0.161 4.199 1.00 43.31 C ATOM 1370 CG GLU A 92 31.433 -0.808 3.550 1.00 22.11 C ATOM 1371 CD GLU A 92 32.589 0.158 3.379 1.00 21.31 C ATOM 1372 OE1 GLU A 92 32.670 1.128 4.161 1.00 61.05 O ATOM 1373 OE2 GLU A 92 33.411 -0.055 2.464 1.00 32.20 O1- ATOM 0 H GLU A 92 29.923 -2.785 3.845 1.00 73.32 H new ATOM 0 HA GLU A 92 28.162 -0.555 4.674 1.00 2.25 H new ATOM 0 HB2 GLU A 92 30.094 0.842 3.791 1.00 43.31 H new ATOM 0 HB3 GLU A 92 30.409 -0.049 5.267 1.00 43.31 H new ATOM 0 HG2 GLU A 92 31.758 -1.653 4.157 1.00 22.11 H new ATOM 0 HG3 GLU A 92 31.149 -1.205 2.575 1.00 22.11 H new ATOM 1380 N VAL A 93 27.815 0.357 2.284 1.00 70.21 N ATOM 1381 CA VAL A 93 27.297 0.639 0.951 1.00 61.32 C ATOM 1382 C VAL A 93 27.925 1.901 0.372 1.00 43.24 C ATOM 1383 O VAL A 93 27.691 3.005 0.864 1.00 3.54 O ATOM 1384 CB VAL A 93 25.765 0.801 0.965 1.00 40.32 C ATOM 1385 CG1 VAL A 93 25.249 1.124 -0.428 1.00 24.13 C ATOM 1386 CG2 VAL A 93 25.102 -0.455 1.511 1.00 41.15 C ATOM 0 H VAL A 93 27.661 1.103 2.962 1.00 70.21 H new ATOM 0 HA VAL A 93 27.559 -0.214 0.324 1.00 61.32 H new ATOM 0 HB VAL A 93 25.511 1.633 1.622 1.00 40.32 H new ATOM 0 HG11 VAL A 93 24.165 1.235 -0.398 1.00 24.13 H new ATOM 0 HG12 VAL A 93 25.699 2.054 -0.776 1.00 24.13 H new ATOM 0 HG13 VAL A 93 25.512 0.316 -1.110 1.00 24.13 H new ATOM 0 HG21 VAL A 93 24.020 -0.323 1.514 1.00 41.15 H new ATOM 0 HG22 VAL A 93 25.362 -1.306 0.882 1.00 41.15 H new ATOM 0 HG23 VAL A 93 25.448 -0.636 2.529 1.00 41.15 H new ATOM 1396 N VAL A 94 28.725 1.731 -0.675 1.00 55.22 N ATOM 1397 CA VAL A 94 29.387 2.857 -1.323 1.00 54.44 C ATOM 1398 C VAL A 94 29.159 2.836 -2.831 1.00 72.33 C ATOM 1399 O VAL A 94 29.700 1.986 -3.539 1.00 31.22 O ATOM 1400 CB VAL A 94 30.902 2.854 -1.044 1.00 12.35 C ATOM 1401 CG1 VAL A 94 31.577 4.021 -1.749 1.00 44.32 C ATOM 1402 CG2 VAL A 94 31.167 2.900 0.453 1.00 32.44 C ATOM 0 H VAL A 94 28.931 0.824 -1.093 1.00 55.22 H new ATOM 0 HA VAL A 94 28.950 3.764 -0.905 1.00 54.44 H new ATOM 0 HB VAL A 94 31.325 1.929 -1.437 1.00 12.35 H new ATOM 0 HG11 VAL A 94 32.647 4.003 -1.540 1.00 44.32 H new ATOM 0 HG12 VAL A 94 31.415 3.939 -2.824 1.00 44.32 H new ATOM 0 HG13 VAL A 94 31.153 4.958 -1.388 1.00 44.32 H new ATOM 0 HG21 VAL A 94 32.242 2.897 0.632 1.00 32.44 H new ATOM 0 HG22 VAL A 94 30.732 3.807 0.872 1.00 32.44 H new ATOM 0 HG23 VAL A 94 30.718 2.029 0.929 1.00 32.44 H new ATOM 1412 N PHE A 95 28.356 3.777 -3.316 1.00 74.21 N ATOM 1413 CA PHE A 95 28.056 3.866 -4.740 1.00 3.42 C ATOM 1414 C PHE A 95 28.319 5.275 -5.264 1.00 14.12 C ATOM 1415 O PHE A 95 27.916 6.263 -4.651 1.00 41.52 O ATOM 1416 CB PHE A 95 26.600 3.476 -5.001 1.00 1.11 C ATOM 1417 CG PHE A 95 26.343 2.001 -4.883 1.00 21.10 C ATOM 1418 CD1 PHE A 95 26.957 1.107 -5.745 1.00 70.40 C ATOM 1419 CD2 PHE A 95 25.490 1.509 -3.909 1.00 44.02 C ATOM 1420 CE1 PHE A 95 26.722 -0.251 -5.639 1.00 25.12 C ATOM 1421 CE2 PHE A 95 25.251 0.151 -3.798 1.00 24.42 C ATOM 1422 CZ PHE A 95 25.869 -0.730 -4.664 1.00 43.33 C ATOM 0 H PHE A 95 27.901 4.489 -2.744 1.00 74.21 H new ATOM 0 HA PHE A 95 28.711 3.173 -5.268 1.00 3.42 H new ATOM 0 HB2 PHE A 95 25.959 4.006 -4.297 1.00 1.11 H new ATOM 0 HB3 PHE A 95 26.317 3.807 -6.000 1.00 1.11 H new ATOM 0 HD1 PHE A 95 27.627 1.475 -6.508 1.00 70.40 H new ATOM 0 HD2 PHE A 95 25.006 2.194 -3.228 1.00 44.02 H new ATOM 0 HE1 PHE A 95 27.205 -0.937 -6.318 1.00 25.12 H new ATOM 0 HE2 PHE A 95 24.582 -0.220 -3.035 1.00 24.42 H new ATOM 0 HZ PHE A 95 25.686 -1.791 -4.579 1.00 43.33 H new ATOM 1432 N THR A 96 28.999 5.359 -6.403 1.00 44.40 N ATOM 1433 CA THR A 96 29.318 6.644 -7.010 1.00 34.31 C ATOM 1434 C THR A 96 28.518 6.863 -8.289 1.00 25.23 C ATOM 1435 O THR A 96 28.275 5.926 -9.048 1.00 11.30 O ATOM 1436 CB THR A 96 30.820 6.756 -7.333 1.00 71.34 C ATOM 1437 OG1 THR A 96 31.080 7.974 -8.040 1.00 53.43 O ATOM 1438 CG2 THR A 96 31.284 5.571 -8.167 1.00 41.12 C ATOM 0 H THR A 96 29.340 4.551 -6.924 1.00 44.40 H new ATOM 0 HA THR A 96 29.052 7.411 -6.282 1.00 34.31 H new ATOM 0 HB THR A 96 31.372 6.757 -6.393 1.00 71.34 H new ATOM 0 HG1 THR A 96 32.037 8.038 -8.240 1.00 53.43 H new ATOM 0 HG21 THR A 96 32.348 5.672 -8.383 1.00 41.12 H new ATOM 0 HG22 THR A 96 31.112 4.647 -7.614 1.00 41.12 H new ATOM 0 HG23 THR A 96 30.725 5.543 -9.102 1.00 41.12 H new ATOM 1446 N ALA A 97 28.110 8.107 -8.521 1.00 2.00 N ATOM 1447 CA ALA A 97 27.340 8.448 -9.709 1.00 54.14 C ATOM 1448 C ALA A 97 28.247 8.614 -10.924 1.00 75.12 C ATOM 1449 O ALA A 97 29.440 8.882 -10.787 1.00 3.52 O ATOM 1450 CB ALA A 97 26.538 9.720 -9.471 1.00 3.33 C ATOM 0 H ALA A 97 28.301 8.894 -7.901 1.00 2.00 H new ATOM 0 HA ALA A 97 26.651 7.628 -9.912 1.00 54.14 H new ATOM 0 HB1 ALA A 97 25.967 9.963 -10.367 1.00 3.33 H new ATOM 0 HB2 ALA A 97 25.855 9.568 -8.636 1.00 3.33 H new ATOM 0 HB3 ALA A 97 27.217 10.540 -9.240 1.00 3.33 H new ATOM 1456 N ASN A 98 27.674 8.452 -12.112 1.00 61.44 N ATOM 1457 CA ASN A 98 28.432 8.582 -13.351 1.00 5.53 C ATOM 1458 C ASN A 98 29.519 7.516 -13.438 1.00 5.21 C ATOM 1459 O ASN A 98 30.657 7.802 -13.815 1.00 32.32 O ATOM 1460 CB ASN A 98 29.058 9.975 -13.446 1.00 33.23 C ATOM 1461 CG ASN A 98 28.110 11.068 -12.992 1.00 11.24 C ATOM 1462 OD1 ASN A 98 28.476 11.929 -12.192 1.00 54.42 O ATOM 1463 ND2 ASN A 98 26.884 11.036 -13.502 1.00 42.15 N ATOM 0 H ASN A 98 26.687 8.230 -12.243 1.00 61.44 H new ATOM 0 HA ASN A 98 27.744 8.442 -14.185 1.00 5.53 H new ATOM 0 HB2 ASN A 98 29.962 10.006 -12.838 1.00 33.23 H new ATOM 0 HB3 ASN A 98 29.360 10.165 -14.476 1.00 33.23 H new ATOM 0 HD21 ASN A 98 26.201 11.745 -13.233 1.00 42.15 H new ATOM 0 HD22 ASN A 98 26.625 10.303 -14.162 1.00 42.15 H new ATOM 1470 N ASP A 99 29.163 6.286 -13.086 1.00 51.43 N ATOM 1471 CA ASP A 99 30.108 5.175 -13.125 1.00 34.13 C ATOM 1472 C ASP A 99 29.374 3.839 -13.200 1.00 63.24 C ATOM 1473 O ASP A 99 28.197 3.747 -12.854 1.00 54.14 O ATOM 1474 CB ASP A 99 31.015 5.205 -11.893 1.00 61.02 C ATOM 1475 CG ASP A 99 32.253 4.349 -12.065 1.00 31.11 C ATOM 1476 OD1 ASP A 99 33.217 4.819 -12.707 1.00 64.44 O ATOM 1477 OD2 ASP A 99 32.261 3.208 -11.558 1.00 41.04 O1- ATOM 0 H ASP A 99 28.227 6.032 -12.770 1.00 51.43 H new ATOM 0 HA ASP A 99 30.721 5.283 -14.020 1.00 34.13 H new ATOM 0 HB2 ASP A 99 31.313 6.234 -11.690 1.00 61.02 H new ATOM 0 HB3 ASP A 99 30.455 4.858 -11.025 1.00 61.02 H new ATOM 1482 N SER A 100 30.079 2.808 -13.654 1.00 31.43 N ATOM 1483 CA SER A 100 29.493 1.478 -13.779 1.00 54.41 C ATOM 1484 C SER A 100 28.978 0.983 -12.431 1.00 0.22 C ATOM 1485 O SER A 100 29.756 0.587 -11.564 1.00 0.22 O ATOM 1486 CB SER A 100 30.522 0.495 -14.338 1.00 62.41 C ATOM 1487 OG SER A 100 29.934 -0.769 -14.595 1.00 71.24 O ATOM 0 H SER A 100 31.056 2.868 -13.941 1.00 31.43 H new ATOM 0 HA SER A 100 28.651 1.542 -14.468 1.00 54.41 H new ATOM 0 HB2 SER A 100 30.949 0.895 -15.258 1.00 62.41 H new ATOM 0 HB3 SER A 100 31.342 0.381 -13.629 1.00 62.41 H new ATOM 0 HG SER A 100 30.613 -1.379 -14.953 1.00 71.24 H new ATOM 1493 N GLY A 101 27.660 1.007 -12.262 1.00 34.22 N ATOM 1494 CA GLY A 101 27.062 0.559 -11.018 1.00 51.22 C ATOM 1495 C GLY A 101 25.548 0.566 -11.067 1.00 34.21 C ATOM 1496 O GLY A 101 24.937 1.124 -11.979 1.00 62.14 O ATOM 0 H GLY A 101 26.995 1.329 -12.965 1.00 34.22 H new ATOM 0 HA2 GLY A 101 27.410 -0.449 -10.793 1.00 51.22 H new ATOM 0 HA3 GLY A 101 27.399 1.201 -10.204 1.00 51.22 H new ATOM 1500 N PRO A 102 24.917 -0.065 -10.065 1.00 21.34 N ATOM 1501 CA PRO A 102 23.455 -0.144 -9.975 1.00 0.44 C ATOM 1502 C PRO A 102 22.821 1.205 -9.654 1.00 41.02 C ATOM 1503 O PRO A 102 21.656 1.445 -9.973 1.00 2.14 O ATOM 1504 CB PRO A 102 23.224 -1.129 -8.827 1.00 64.03 C ATOM 1505 CG PRO A 102 24.452 -1.033 -7.991 1.00 43.03 C ATOM 1506 CD PRO A 102 25.580 -0.750 -8.944 1.00 62.14 C ATOM 0 HA PRO A 102 23.004 -0.453 -10.918 1.00 0.44 H new ATOM 0 HB2 PRO A 102 22.334 -0.868 -8.254 1.00 64.03 H new ATOM 0 HB3 PRO A 102 23.077 -2.143 -9.199 1.00 64.03 H new ATOM 0 HG2 PRO A 102 24.359 -0.239 -7.250 1.00 43.03 H new ATOM 0 HG3 PRO A 102 24.626 -1.960 -7.445 1.00 43.03 H new ATOM 0 HD2 PRO A 102 26.345 -0.123 -8.486 1.00 62.14 H new ATOM 0 HD3 PRO A 102 26.072 -1.667 -9.268 1.00 62.14 H new ATOM 1514 N ARG A 103 23.595 2.083 -9.023 1.00 23.34 N ATOM 1515 CA ARG A 103 23.107 3.408 -8.660 1.00 62.04 C ATOM 1516 C ARG A 103 21.872 3.307 -7.768 1.00 14.33 C ATOM 1517 O ARG A 103 20.875 3.993 -7.992 1.00 52.44 O ATOM 1518 CB ARG A 103 22.777 4.216 -9.916 1.00 30.24 C ATOM 1519 CG ARG A 103 23.998 4.579 -10.744 1.00 22.53 C ATOM 1520 CD ARG A 103 23.625 5.444 -11.939 1.00 52.13 C ATOM 1521 NE ARG A 103 23.568 6.861 -11.592 1.00 1.11 N ATOM 1522 CZ ARG A 103 23.048 7.791 -12.384 1.00 54.03 C ATOM 1523 NH1 ARG A 103 22.541 7.456 -13.563 1.00 3.14 N1+ ATOM 1524 NH2 ARG A 103 23.033 9.061 -11.998 1.00 64.44 N ATOM 0 H ARG A 103 24.562 1.901 -8.753 1.00 23.34 H new ATOM 0 HA ARG A 103 23.895 3.918 -8.105 1.00 62.04 H new ATOM 0 HB2 ARG A 103 22.086 3.644 -10.535 1.00 30.24 H new ATOM 0 HB3 ARG A 103 22.261 5.131 -9.624 1.00 30.24 H new ATOM 0 HG2 ARG A 103 24.717 5.109 -10.120 1.00 22.53 H new ATOM 0 HG3 ARG A 103 24.487 3.669 -11.091 1.00 22.53 H new ATOM 0 HD2 ARG A 103 24.354 5.295 -12.736 1.00 52.13 H new ATOM 0 HD3 ARG A 103 22.658 5.127 -12.328 1.00 52.13 H new ATOM 0 HE ARG A 103 23.949 7.152 -10.692 1.00 1.11 H new ATOM 0 HH11 ARG A 103 22.550 6.481 -13.864 1.00 3.14 H new ATOM 0 HH12 ARG A 103 22.142 8.173 -14.169 1.00 3.14 H new ATOM 0 HH21 ARG A 103 23.421 9.323 -11.092 1.00 64.44 H new ATOM 0 HH22 ARG A 103 22.633 9.775 -12.607 1.00 64.44 H new ATOM 1538 N ARG A 104 21.948 2.448 -6.757 1.00 24.02 N ATOM 1539 CA ARG A 104 20.837 2.257 -5.832 1.00 24.20 C ATOM 1540 C ARG A 104 20.661 3.476 -4.933 1.00 1.51 C ATOM 1541 O ARG A 104 21.614 4.210 -4.672 1.00 72.24 O ATOM 1542 CB ARG A 104 21.066 1.008 -4.978 1.00 25.22 C ATOM 1543 CG ARG A 104 19.797 0.461 -4.346 1.00 31.23 C ATOM 1544 CD ARG A 104 18.891 -0.184 -5.384 1.00 34.05 C ATOM 1545 NE ARG A 104 18.032 -1.210 -4.799 1.00 31.23 N ATOM 1546 CZ ARG A 104 17.055 -1.816 -5.463 1.00 4.22 C ATOM 1547 NH1 ARG A 104 16.812 -1.501 -6.728 1.00 33.51 N1+ ATOM 1548 NH2 ARG A 104 16.316 -2.741 -4.861 1.00 33.42 N ATOM 0 H ARG A 104 22.767 1.873 -6.557 1.00 24.02 H new ATOM 0 HA ARG A 104 19.928 2.127 -6.418 1.00 24.20 H new ATOM 0 HB2 ARG A 104 21.517 0.232 -5.597 1.00 25.22 H new ATOM 0 HB3 ARG A 104 21.782 1.243 -4.190 1.00 25.22 H new ATOM 0 HG2 ARG A 104 20.056 -0.272 -3.582 1.00 31.23 H new ATOM 0 HG3 ARG A 104 19.262 1.268 -3.845 1.00 31.23 H new ATOM 0 HD2 ARG A 104 18.273 0.582 -5.852 1.00 34.05 H new ATOM 0 HD3 ARG A 104 19.500 -0.627 -6.172 1.00 34.05 H new ATOM 0 HE ARG A 104 18.191 -1.476 -3.827 1.00 31.23 H new ATOM 0 HH11 ARG A 104 17.377 -0.791 -7.194 1.00 33.51 H new ATOM 0 HH12 ARG A 104 16.061 -1.969 -7.235 1.00 33.51 H new ATOM 0 HH21 ARG A 104 16.499 -2.986 -3.888 1.00 33.42 H new ATOM 0 HH22 ARG A 104 15.566 -3.206 -5.372 1.00 33.42 H new ATOM 1562 N TYR A 105 19.436 3.688 -4.463 1.00 3.31 N ATOM 1563 CA TYR A 105 19.135 4.820 -3.596 1.00 51.11 C ATOM 1564 C TYR A 105 19.032 4.377 -2.140 1.00 4.42 C ATOM 1565 O TYR A 105 19.527 5.052 -1.236 1.00 2.22 O ATOM 1566 CB TYR A 105 17.831 5.490 -4.031 1.00 3.13 C ATOM 1567 CG TYR A 105 17.738 5.723 -5.522 1.00 74.50 C ATOM 1568 CD1 TYR A 105 18.570 6.637 -6.155 1.00 22.34 C ATOM 1569 CD2 TYR A 105 16.817 5.028 -6.298 1.00 12.00 C ATOM 1570 CE1 TYR A 105 18.489 6.853 -7.517 1.00 51.10 C ATOM 1571 CE2 TYR A 105 16.729 5.238 -7.660 1.00 50.15 C ATOM 1572 CZ TYR A 105 17.567 6.152 -8.265 1.00 33.34 C ATOM 1573 OH TYR A 105 17.482 6.364 -9.622 1.00 22.10 O ATOM 0 H TYR A 105 18.636 3.090 -4.669 1.00 3.31 H new ATOM 0 HA TYR A 105 19.950 5.539 -3.682 1.00 51.11 H new ATOM 0 HB2 TYR A 105 16.991 4.871 -3.715 1.00 3.13 H new ATOM 0 HB3 TYR A 105 17.734 6.446 -3.516 1.00 3.13 H new ATOM 0 HD1 TYR A 105 19.293 7.189 -5.572 1.00 22.34 H new ATOM 0 HD2 TYR A 105 16.159 4.312 -5.828 1.00 12.00 H new ATOM 0 HE1 TYR A 105 19.144 7.567 -7.993 1.00 51.10 H new ATOM 0 HE2 TYR A 105 16.008 4.690 -8.248 1.00 50.15 H new ATOM 0 HH TYR A 105 16.783 5.790 -10.000 1.00 22.10 H new ATOM 1583 N THR A 106 18.384 3.238 -1.918 1.00 40.24 N ATOM 1584 CA THR A 106 18.214 2.705 -0.573 1.00 32.41 C ATOM 1585 C THR A 106 19.378 1.798 -0.189 1.00 71.02 C ATOM 1586 O THR A 106 19.885 1.041 -1.017 1.00 75.23 O ATOM 1587 CB THR A 106 16.898 1.914 -0.444 1.00 75.32 C ATOM 1588 OG1 THR A 106 15.784 2.767 -0.729 1.00 50.12 O ATOM 1589 CG2 THR A 106 16.753 1.330 0.953 1.00 12.31 C ATOM 0 H THR A 106 17.968 2.667 -2.653 1.00 40.24 H new ATOM 0 HA THR A 106 18.184 3.559 0.103 1.00 32.41 H new ATOM 0 HB THR A 106 16.920 1.094 -1.162 1.00 75.32 H new ATOM 0 HG1 THR A 106 14.951 2.307 -0.493 1.00 50.12 H new ATOM 0 HG21 THR A 106 15.817 0.776 1.020 1.00 12.31 H new ATOM 0 HG22 THR A 106 17.587 0.658 1.155 1.00 12.31 H new ATOM 0 HG23 THR A 106 16.751 2.137 1.686 1.00 12.31 H new ATOM 1597 N ILE A 107 19.796 1.880 1.069 1.00 54.05 N ATOM 1598 CA ILE A 107 20.901 1.066 1.561 1.00 74.20 C ATOM 1599 C ILE A 107 20.407 -0.294 2.046 1.00 63.32 C ATOM 1600 O ILE A 107 19.760 -0.395 3.088 1.00 31.52 O ATOM 1601 CB ILE A 107 21.649 1.767 2.711 1.00 44.44 C ATOM 1602 CG1 ILE A 107 22.218 3.106 2.235 1.00 42.14 C ATOM 1603 CG2 ILE A 107 22.759 0.873 3.243 1.00 44.24 C ATOM 1604 CD1 ILE A 107 21.264 4.265 2.416 1.00 32.11 C ATOM 0 H ILE A 107 19.387 2.502 1.766 1.00 54.05 H new ATOM 0 HA ILE A 107 21.586 0.926 0.725 1.00 74.20 H new ATOM 0 HB ILE A 107 20.945 1.959 3.520 1.00 44.44 H new ATOM 0 HG12 ILE A 107 23.139 3.315 2.780 1.00 42.14 H new ATOM 0 HG13 ILE A 107 22.483 3.025 1.181 1.00 42.14 H new ATOM 0 HG21 ILE A 107 23.278 1.382 4.055 1.00 44.24 H new ATOM 0 HG22 ILE A 107 22.330 -0.058 3.614 1.00 44.24 H new ATOM 0 HG23 ILE A 107 23.465 0.654 2.442 1.00 44.24 H new ATOM 0 HD11 ILE A 107 21.733 5.181 2.058 1.00 32.11 H new ATOM 0 HD12 ILE A 107 20.352 4.078 1.849 1.00 32.11 H new ATOM 0 HD13 ILE A 107 21.018 4.372 3.472 1.00 32.11 H new ATOM 1616 N ALA A 108 20.717 -1.336 1.283 1.00 21.23 N ATOM 1617 CA ALA A 108 20.310 -2.690 1.636 1.00 2.35 C ATOM 1618 C ALA A 108 21.387 -3.392 2.455 1.00 63.45 C ATOM 1619 O ALA A 108 22.464 -3.702 1.946 1.00 51.45 O ATOM 1620 CB ALA A 108 19.992 -3.490 0.382 1.00 32.14 C ATOM 0 H ALA A 108 21.249 -1.268 0.415 1.00 21.23 H new ATOM 0 HA ALA A 108 19.411 -2.624 2.249 1.00 2.35 H new ATOM 0 HB1 ALA A 108 19.690 -4.499 0.661 1.00 32.14 H new ATOM 0 HB2 ALA A 108 19.181 -3.006 -0.163 1.00 32.14 H new ATOM 0 HB3 ALA A 108 20.877 -3.539 -0.252 1.00 32.14 H new ATOM 1626 N ALA A 109 21.090 -3.640 3.727 1.00 63.22 N ATOM 1627 CA ALA A 109 22.034 -4.307 4.616 1.00 54.44 C ATOM 1628 C ALA A 109 21.373 -5.473 5.342 1.00 42.04 C ATOM 1629 O ALA A 109 20.459 -5.281 6.142 1.00 35.23 O ATOM 1630 CB ALA A 109 22.606 -3.315 5.618 1.00 2.42 C ATOM 0 H ALA A 109 20.203 -3.389 4.165 1.00 63.22 H new ATOM 0 HA ALA A 109 22.848 -4.705 4.010 1.00 54.44 H new ATOM 0 HB1 ALA A 109 23.309 -3.826 6.275 1.00 2.42 H new ATOM 0 HB2 ALA A 109 23.122 -2.516 5.085 1.00 2.42 H new ATOM 0 HB3 ALA A 109 21.797 -2.891 6.212 1.00 2.42 H new ATOM 1636 N MET A 110 21.842 -6.685 5.056 1.00 0.21 N ATOM 1637 CA MET A 110 21.296 -7.882 5.683 1.00 34.20 C ATOM 1638 C MET A 110 22.294 -8.484 6.666 1.00 44.24 C ATOM 1639 O MET A 110 23.443 -8.753 6.314 1.00 31.10 O ATOM 1640 CB MET A 110 20.925 -8.917 4.618 1.00 34.11 C ATOM 1641 CG MET A 110 19.688 -8.546 3.817 1.00 44.03 C ATOM 1642 SD MET A 110 18.959 -9.962 2.970 1.00 11.42 S ATOM 1643 CE MET A 110 17.848 -10.576 4.234 1.00 12.22 C ATOM 0 H MET A 110 22.598 -6.862 4.395 1.00 0.21 H new ATOM 0 HA MET A 110 20.398 -7.597 6.232 1.00 34.20 H new ATOM 0 HB2 MET A 110 21.766 -9.042 3.936 1.00 34.11 H new ATOM 0 HB3 MET A 110 20.760 -9.880 5.101 1.00 34.11 H new ATOM 0 HG2 MET A 110 18.947 -8.105 4.484 1.00 44.03 H new ATOM 0 HG3 MET A 110 19.950 -7.784 3.083 1.00 44.03 H new ATOM 0 HE1 MET A 110 17.886 -11.665 4.254 1.00 12.22 H new ATOM 0 HE2 MET A 110 18.150 -10.184 5.205 1.00 12.22 H new ATOM 0 HE3 MET A 110 16.831 -10.253 4.013 1.00 12.22 H new ATOM 1653 N LEU A 111 21.849 -8.692 7.901 1.00 51.13 N ATOM 1654 CA LEU A 111 22.704 -9.261 8.936 1.00 21.14 C ATOM 1655 C LEU A 111 22.575 -10.782 8.974 1.00 54.03 C ATOM 1656 O LEU A 111 22.134 -11.352 9.971 1.00 63.05 O ATOM 1657 CB LEU A 111 22.346 -8.674 10.302 1.00 12.44 C ATOM 1658 CG LEU A 111 22.279 -7.148 10.380 1.00 10.52 C ATOM 1659 CD1 LEU A 111 23.397 -6.522 9.558 1.00 71.33 C ATOM 1660 CD2 LEU A 111 20.923 -6.649 9.904 1.00 62.42 C ATOM 0 H LEU A 111 20.901 -8.475 8.209 1.00 51.13 H new ATOM 0 HA LEU A 111 23.737 -9.008 8.698 1.00 21.14 H new ATOM 0 HB2 LEU A 111 21.380 -9.076 10.606 1.00 12.44 H new ATOM 0 HB3 LEU A 111 23.079 -9.023 11.029 1.00 12.44 H new ATOM 0 HG LEU A 111 22.409 -6.850 11.420 1.00 10.52 H new ATOM 0 HD11 LEU A 111 23.334 -5.436 9.625 1.00 71.33 H new ATOM 0 HD12 LEU A 111 24.361 -6.854 9.943 1.00 71.33 H new ATOM 0 HD13 LEU A 111 23.298 -6.827 8.516 1.00 71.33 H new ATOM 0 HD21 LEU A 111 20.893 -5.561 9.966 1.00 62.42 H new ATOM 0 HD22 LEU A 111 20.764 -6.958 8.871 1.00 62.42 H new ATOM 0 HD23 LEU A 111 20.139 -7.070 10.533 1.00 62.42 H new ATOM 1672 N SER A 112 22.964 -11.430 7.882 1.00 54.12 N ATOM 1673 CA SER A 112 22.890 -12.884 7.790 1.00 12.24 C ATOM 1674 C SER A 112 23.640 -13.541 8.945 1.00 22.43 C ATOM 1675 O SER A 112 24.526 -12.947 9.560 1.00 1.40 O ATOM 1676 CB SER A 112 23.466 -13.362 6.455 1.00 43.45 C ATOM 1677 OG SER A 112 23.552 -12.295 5.526 1.00 13.22 O ATOM 0 H SER A 112 23.334 -10.972 7.049 1.00 54.12 H new ATOM 0 HA SER A 112 21.841 -13.174 7.850 1.00 12.24 H new ATOM 0 HB2 SER A 112 24.456 -13.790 6.615 1.00 43.45 H new ATOM 0 HB3 SER A 112 22.838 -14.154 6.047 1.00 43.45 H new ATOM 0 HG SER A 112 23.924 -12.625 4.682 1.00 13.22 H new ATOM 1683 N PRO A 113 23.277 -14.796 9.247 1.00 22.02 N ATOM 1684 CA PRO A 113 23.903 -15.563 10.329 1.00 43.14 C ATOM 1685 C PRO A 113 25.341 -15.951 10.007 1.00 2.12 C ATOM 1686 O PRO A 113 25.856 -15.632 8.935 1.00 12.34 O ATOM 1687 CB PRO A 113 23.022 -16.810 10.435 1.00 50.43 C ATOM 1688 CG PRO A 113 22.414 -16.961 9.083 1.00 10.11 C ATOM 1689 CD PRO A 113 22.228 -15.565 8.556 1.00 23.20 C ATOM 0 HA PRO A 113 23.965 -14.989 11.253 1.00 43.14 H new ATOM 0 HB2 PRO A 113 23.609 -17.688 10.705 1.00 50.43 H new ATOM 0 HB3 PRO A 113 22.257 -16.690 11.202 1.00 50.43 H new ATOM 0 HG2 PRO A 113 23.061 -17.543 8.427 1.00 10.11 H new ATOM 0 HG3 PRO A 113 21.461 -17.487 9.140 1.00 10.11 H new ATOM 0 HD2 PRO A 113 22.348 -15.525 7.473 1.00 23.20 H new ATOM 0 HD3 PRO A 113 21.233 -15.180 8.781 1.00 23.20 H new ATOM 1697 N TYR A 114 25.985 -16.642 10.941 1.00 23.50 N ATOM 1698 CA TYR A 114 27.366 -17.073 10.758 1.00 1.14 C ATOM 1699 C TYR A 114 27.438 -18.574 10.499 1.00 43.00 C ATOM 1700 O TYR A 114 26.759 -19.363 11.157 1.00 5.21 O ATOM 1701 CB TYR A 114 28.202 -16.715 11.987 1.00 52.22 C ATOM 1702 CG TYR A 114 29.644 -17.161 11.890 1.00 0.42 C ATOM 1703 CD1 TYR A 114 30.352 -17.035 10.702 1.00 43.22 C ATOM 1704 CD2 TYR A 114 30.297 -17.707 12.988 1.00 13.42 C ATOM 1705 CE1 TYR A 114 31.668 -17.441 10.608 1.00 31.41 C ATOM 1706 CE2 TYR A 114 31.615 -18.116 12.904 1.00 52.31 C ATOM 1707 CZ TYR A 114 32.296 -17.980 11.712 1.00 63.53 C ATOM 1708 OH TYR A 114 33.608 -18.386 11.623 1.00 74.32 O ATOM 0 H TYR A 114 25.573 -16.916 11.833 1.00 23.50 H new ATOM 0 HA TYR A 114 27.770 -16.553 9.889 1.00 1.14 H new ATOM 0 HB2 TYR A 114 28.174 -15.635 12.133 1.00 52.22 H new ATOM 0 HB3 TYR A 114 27.749 -17.168 12.869 1.00 52.22 H new ATOM 0 HD1 TYR A 114 29.864 -16.612 9.836 1.00 43.22 H new ATOM 0 HD2 TYR A 114 29.766 -17.814 13.923 1.00 13.42 H new ATOM 0 HE1 TYR A 114 32.203 -17.337 9.676 1.00 31.41 H new ATOM 0 HE2 TYR A 114 32.108 -18.539 13.766 1.00 52.31 H new ATOM 0 HH TYR A 114 33.951 -18.584 12.520 1.00 74.32 H new ATOM 1718 N SER A 115 28.267 -18.963 9.535 1.00 75.00 N ATOM 1719 CA SER A 115 28.427 -20.370 9.185 1.00 11.22 C ATOM 1720 C SER A 115 28.727 -21.207 10.425 1.00 71.44 C ATOM 1721 O SER A 115 27.868 -21.940 10.915 1.00 23.43 O ATOM 1722 CB SER A 115 29.549 -20.538 8.159 1.00 64.23 C ATOM 1723 OG SER A 115 30.565 -19.568 8.351 1.00 63.14 O ATOM 0 H SER A 115 28.838 -18.324 8.982 1.00 75.00 H new ATOM 0 HA SER A 115 27.491 -20.719 8.749 1.00 11.22 H new ATOM 0 HB2 SER A 115 29.976 -21.538 8.242 1.00 64.23 H new ATOM 0 HB3 SER A 115 29.142 -20.448 7.152 1.00 64.23 H new ATOM 0 HG SER A 115 31.271 -19.698 7.684 1.00 63.14 H new ATOM 1729 N TYR A 116 29.951 -21.091 10.926 1.00 41.15 N ATOM 1730 CA TYR A 116 30.367 -21.839 12.107 1.00 60.33 C ATOM 1731 C TYR A 116 29.761 -21.240 13.372 1.00 73.11 C ATOM 1732 O TYR A 116 28.996 -20.277 13.312 1.00 43.34 O ATOM 1733 CB TYR A 116 31.893 -21.853 12.217 1.00 52.20 C ATOM 1734 CG TYR A 116 32.556 -22.854 11.299 1.00 62.23 C ATOM 1735 CD1 TYR A 116 32.405 -24.220 11.503 1.00 64.02 C ATOM 1736 CD2 TYR A 116 33.333 -22.434 10.227 1.00 50.21 C ATOM 1737 CE1 TYR A 116 33.011 -25.138 10.666 1.00 12.14 C ATOM 1738 CE2 TYR A 116 33.941 -23.345 9.385 1.00 70.32 C ATOM 1739 CZ TYR A 116 33.778 -24.696 9.608 1.00 0.53 C ATOM 1740 OH TYR A 116 34.381 -25.607 8.773 1.00 30.40 O ATOM 0 H TYR A 116 30.673 -20.487 10.533 1.00 41.15 H new ATOM 0 HA TYR A 116 30.007 -22.863 12.002 1.00 60.33 H new ATOM 0 HB2 TYR A 116 32.274 -20.857 11.991 1.00 52.20 H new ATOM 0 HB3 TYR A 116 32.173 -22.076 13.247 1.00 52.20 H new ATOM 0 HD1 TYR A 116 31.804 -24.570 12.329 1.00 64.02 H new ATOM 0 HD2 TYR A 116 33.464 -21.377 10.049 1.00 50.21 H new ATOM 0 HE1 TYR A 116 32.885 -26.196 10.840 1.00 12.14 H new ATOM 0 HE2 TYR A 116 34.541 -23.001 8.556 1.00 70.32 H new ATOM 0 HH TYR A 116 34.883 -25.132 8.079 1.00 30.40 H new ATOM 1750 N SER A 117 30.110 -21.816 14.519 1.00 25.22 N ATOM 1751 CA SER A 117 29.598 -21.342 15.799 1.00 25.44 C ATOM 1752 C SER A 117 30.531 -20.297 16.403 1.00 44.43 C ATOM 1753 O SER A 117 30.120 -19.172 16.689 1.00 74.44 O ATOM 1754 CB SER A 117 29.430 -22.513 16.770 1.00 52.34 C ATOM 1755 OG SER A 117 30.478 -23.454 16.620 1.00 35.54 O ATOM 0 H SER A 117 30.745 -22.611 14.587 1.00 25.22 H new ATOM 0 HA SER A 117 28.626 -20.880 15.625 1.00 25.44 H new ATOM 0 HB2 SER A 117 29.415 -22.141 17.794 1.00 52.34 H new ATOM 0 HB3 SER A 117 28.471 -23.001 16.594 1.00 52.34 H new ATOM 0 HG SER A 117 30.349 -24.191 17.252 1.00 35.54 H new ATOM 1761 N THR A 118 31.790 -20.676 16.595 1.00 33.43 N ATOM 1762 CA THR A 118 32.782 -19.774 17.166 1.00 53.23 C ATOM 1763 C THR A 118 34.198 -20.256 16.873 1.00 74.11 C ATOM 1764 O THR A 118 34.570 -21.375 17.226 1.00 53.14 O ATOM 1765 CB THR A 118 32.605 -19.635 18.690 1.00 13.15 C ATOM 1766 OG1 THR A 118 31.213 -19.558 19.016 1.00 55.10 O ATOM 1767 CG2 THR A 118 33.322 -18.399 19.208 1.00 63.23 C ATOM 0 H THR A 118 32.147 -21.603 16.363 1.00 33.43 H new ATOM 0 HA THR A 118 32.628 -18.801 16.699 1.00 53.23 H new ATOM 0 HB THR A 118 33.041 -20.513 19.166 1.00 13.15 H new ATOM 0 HG1 THR A 118 30.735 -19.091 18.299 1.00 55.10 H new ATOM 0 HG21 THR A 118 33.182 -18.323 20.286 1.00 63.23 H new ATOM 0 HG22 THR A 118 34.386 -18.475 18.984 1.00 63.23 H new ATOM 0 HG23 THR A 118 32.912 -17.512 18.725 1.00 63.23 H new ATOM 1775 N THR A 119 34.985 -19.404 16.224 1.00 11.45 N ATOM 1776 CA THR A 119 36.361 -19.744 15.882 1.00 25.02 C ATOM 1777 C THR A 119 37.321 -19.332 16.992 1.00 41.31 C ATOM 1778 O THR A 119 37.909 -20.179 17.663 1.00 44.13 O ATOM 1779 CB THR A 119 36.796 -19.071 14.567 1.00 11.34 C ATOM 1780 OG1 THR A 119 35.776 -19.230 13.574 1.00 72.04 O ATOM 1781 CG2 THR A 119 38.101 -19.666 14.060 1.00 25.02 C ATOM 0 H THR A 119 34.693 -18.474 15.925 1.00 11.45 H new ATOM 0 HA THR A 119 36.397 -20.826 15.757 1.00 25.02 H new ATOM 0 HB THR A 119 36.950 -18.010 14.762 1.00 11.34 H new ATOM 0 HG1 THR A 119 36.060 -18.798 12.741 1.00 72.04 H new ATOM 0 HG21 THR A 119 38.388 -19.175 13.130 1.00 25.02 H new ATOM 0 HG22 THR A 119 38.882 -19.517 14.805 1.00 25.02 H new ATOM 0 HG23 THR A 119 37.969 -20.733 13.881 1.00 25.02 H new ATOM 1789 N ALA A 120 37.475 -18.025 17.180 1.00 13.22 N ATOM 1790 CA ALA A 120 38.362 -17.501 18.211 1.00 52.22 C ATOM 1791 C ALA A 120 38.228 -15.987 18.333 1.00 55.15 C ATOM 1792 O ALA A 120 38.048 -15.287 17.336 1.00 65.21 O ATOM 1793 CB ALA A 120 39.803 -17.883 17.912 1.00 42.50 C ATOM 0 H ALA A 120 36.997 -17.310 16.632 1.00 13.22 H new ATOM 0 HA ALA A 120 38.071 -17.943 19.164 1.00 52.22 H new ATOM 0 HB1 ALA A 120 40.454 -17.485 18.690 1.00 42.50 H new ATOM 0 HB2 ALA A 120 39.893 -18.969 17.884 1.00 42.50 H new ATOM 0 HB3 ALA A 120 40.096 -17.469 16.947 1.00 42.50 H new ATOM 1799 N VAL A 121 38.317 -15.486 19.561 1.00 4.12 N ATOM 1800 CA VAL A 121 38.206 -14.054 19.813 1.00 43.11 C ATOM 1801 C VAL A 121 39.324 -13.286 19.117 1.00 30.44 C ATOM 1802 O VAL A 121 40.494 -13.662 19.196 1.00 24.04 O ATOM 1803 CB VAL A 121 38.247 -13.744 21.321 1.00 72.25 C ATOM 1804 CG1 VAL A 121 39.531 -14.275 21.940 1.00 1.23 C ATOM 1805 CG2 VAL A 121 38.108 -12.249 21.561 1.00 33.31 C ATOM 0 H VAL A 121 38.466 -16.051 20.397 1.00 4.12 H new ATOM 0 HA VAL A 121 37.244 -13.735 19.411 1.00 43.11 H new ATOM 0 HB VAL A 121 37.406 -14.245 21.801 1.00 72.25 H new ATOM 0 HG11 VAL A 121 39.543 -14.047 23.006 1.00 1.23 H new ATOM 0 HG12 VAL A 121 39.583 -15.355 21.799 1.00 1.23 H new ATOM 0 HG13 VAL A 121 40.389 -13.805 21.459 1.00 1.23 H new ATOM 0 HG21 VAL A 121 38.139 -12.048 22.632 1.00 33.31 H new ATOM 0 HG22 VAL A 121 38.927 -11.724 21.069 1.00 33.31 H new ATOM 0 HG23 VAL A 121 37.158 -11.902 21.154 1.00 33.31 H new ATOM 1815 N VAL A 122 38.957 -12.206 18.433 1.00 21.23 N ATOM 1816 CA VAL A 122 39.930 -11.383 17.725 1.00 51.40 C ATOM 1817 C VAL A 122 39.376 -9.988 17.458 1.00 21.04 C ATOM 1818 O VAL A 122 38.177 -9.814 17.237 1.00 52.34 O ATOM 1819 CB VAL A 122 40.339 -12.025 16.387 1.00 74.35 C ATOM 1820 CG1 VAL A 122 39.144 -12.118 15.450 1.00 52.43 C ATOM 1821 CG2 VAL A 122 41.471 -11.239 15.743 1.00 10.13 C ATOM 0 H VAL A 122 37.993 -11.881 18.355 1.00 21.23 H new ATOM 0 HA VAL A 122 40.808 -11.307 18.366 1.00 51.40 H new ATOM 0 HB VAL A 122 40.695 -13.036 16.584 1.00 74.35 H new ATOM 0 HG11 VAL A 122 39.454 -12.574 14.510 1.00 52.43 H new ATOM 0 HG12 VAL A 122 38.367 -12.728 15.911 1.00 52.43 H new ATOM 0 HG13 VAL A 122 38.754 -11.119 15.257 1.00 52.43 H new ATOM 0 HG21 VAL A 122 41.747 -11.707 14.798 1.00 10.13 H new ATOM 0 HG22 VAL A 122 41.145 -10.215 15.559 1.00 10.13 H new ATOM 0 HG23 VAL A 122 42.333 -11.231 16.410 1.00 10.13 H new ATOM 1831 N THR A 123 40.259 -8.993 17.479 1.00 54.15 N ATOM 1832 CA THR A 123 39.860 -7.612 17.240 1.00 30.41 C ATOM 1833 C THR A 123 40.624 -7.015 16.063 1.00 22.22 C ATOM 1834 O THR A 123 40.028 -6.613 15.064 1.00 52.11 O ATOM 1835 CB THR A 123 40.093 -6.736 18.484 1.00 20.34 C ATOM 1836 OG1 THR A 123 39.867 -7.504 19.673 1.00 33.22 O ATOM 1837 CG2 THR A 123 39.171 -5.526 18.475 1.00 21.05 C ATOM 0 H THR A 123 41.255 -9.119 17.659 1.00 54.15 H new ATOM 0 HA THR A 123 38.795 -7.627 17.010 1.00 30.41 H new ATOM 0 HB THR A 123 41.125 -6.387 18.467 1.00 20.34 H new ATOM 0 HG1 THR A 123 40.019 -6.940 20.460 1.00 33.22 H new ATOM 0 HG21 THR A 123 39.354 -4.922 19.364 1.00 21.05 H new ATOM 0 HG22 THR A 123 39.364 -4.928 17.584 1.00 21.05 H new ATOM 0 HG23 THR A 123 38.133 -5.859 18.470 1.00 21.05 H new ATOM 1845 N ASN A 124 41.946 -6.960 16.187 1.00 75.41 N ATOM 1846 CA ASN A 124 42.790 -6.412 15.133 1.00 53.22 C ATOM 1847 C ASN A 124 42.339 -5.006 14.750 1.00 22.31 C ATOM 1848 O ASN A 124 41.764 -4.781 13.685 1.00 32.20 O ATOM 1849 CB ASN A 124 42.762 -7.322 13.903 1.00 13.12 C ATOM 1850 CG ASN A 124 43.609 -8.568 14.087 1.00 63.22 C ATOM 1851 OD1 ASN A 124 44.597 -8.558 14.821 1.00 54.42 O ATOM 1852 ND2 ASN A 124 43.223 -9.648 13.417 1.00 64.04 N ATOM 0 H ASN A 124 42.456 -7.288 17.007 1.00 75.41 H new ATOM 0 HA ASN A 124 43.811 -6.356 15.512 1.00 53.22 H new ATOM 0 HB2 ASN A 124 41.733 -7.613 13.693 1.00 13.12 H new ATOM 0 HB3 ASN A 124 43.120 -6.767 13.036 1.00 13.12 H new ATOM 0 HD21 ASN A 124 43.753 -10.516 13.500 1.00 64.04 H new ATOM 0 HD22 ASN A 124 42.397 -9.610 12.820 1.00 64.04 H new ATOM 1859 N PRO A 125 42.606 -4.036 15.637 1.00 24.52 N ATOM 1860 CA PRO A 125 42.237 -2.635 15.414 1.00 24.42 C ATOM 1861 C PRO A 125 43.064 -1.987 14.309 1.00 35.53 C ATOM 1862 O PRO A 125 43.904 -2.636 13.685 1.00 10.22 O ATOM 1863 CB PRO A 125 42.530 -1.972 16.761 1.00 72.35 C ATOM 1864 CG PRO A 125 43.575 -2.830 17.386 1.00 62.25 C ATOM 1865 CD PRO A 125 43.288 -4.233 16.927 1.00 3.25 C ATOM 0 HA PRO A 125 41.201 -2.533 15.090 1.00 24.42 H new ATOM 0 HB2 PRO A 125 42.884 -0.949 16.630 1.00 72.35 H new ATOM 0 HB3 PRO A 125 41.635 -1.923 17.381 1.00 72.35 H new ATOM 0 HG2 PRO A 125 44.573 -2.516 17.080 1.00 62.25 H new ATOM 0 HG3 PRO A 125 43.539 -2.760 18.473 1.00 62.25 H new ATOM 0 HD2 PRO A 125 44.203 -4.814 16.813 1.00 3.25 H new ATOM 0 HD3 PRO A 125 42.658 -4.767 17.638 1.00 3.25 H new ATOM 1873 N LYS A 126 42.822 -0.702 14.071 1.00 63.33 N ATOM 1874 CA LYS A 126 43.546 0.036 13.043 1.00 0.11 C ATOM 1875 C LYS A 126 44.986 0.300 13.474 1.00 52.52 C ATOM 1876 O LYS A 126 45.832 0.658 12.656 1.00 75.10 O ATOM 1877 CB LYS A 126 42.841 1.361 12.744 1.00 43.13 C ATOM 1878 CG LYS A 126 43.214 2.478 13.703 1.00 31.53 C ATOM 1879 CD LYS A 126 42.755 2.174 15.119 1.00 32.21 C ATOM 1880 CE LYS A 126 41.240 2.078 15.206 1.00 52.15 C ATOM 1881 NZ LYS A 126 40.576 3.326 14.740 1.00 22.22 N1+ ATOM 0 H LYS A 126 42.129 -0.150 14.577 1.00 63.33 H new ATOM 0 HA LYS A 126 43.562 -0.572 12.139 1.00 0.11 H new ATOM 0 HB2 LYS A 126 43.083 1.670 11.727 1.00 43.13 H new ATOM 0 HB3 LYS A 126 41.763 1.206 12.782 1.00 43.13 H new ATOM 0 HG2 LYS A 126 44.294 2.622 13.693 1.00 31.53 H new ATOM 0 HG3 LYS A 126 42.765 3.413 13.367 1.00 31.53 H new ATOM 0 HD2 LYS A 126 43.200 1.237 15.453 1.00 32.21 H new ATOM 0 HD3 LYS A 126 43.110 2.954 15.793 1.00 32.21 H new ATOM 0 HE2 LYS A 126 40.895 1.237 14.605 1.00 52.15 H new ATOM 0 HE3 LYS A 126 40.948 1.875 16.236 1.00 52.15 H new ATOM 0 HZ1 LYS A 126 39.582 3.325 15.045 1.00 22.22 H new ATOM 0 HZ2 LYS A 126 41.062 4.151 15.146 1.00 22.22 H new ATOM 0 HZ3 LYS A 126 40.619 3.375 13.702 1.00 22.22 H new ATOM 1895 N GLU A 127 45.255 0.121 14.764 1.00 3.11 N ATOM 1896 CA GLU A 127 46.592 0.339 15.302 1.00 3.11 C ATOM 1897 C GLU A 127 47.446 -0.918 15.165 1.00 14.11 C ATOM 1898 O GLU A 127 46.923 -2.027 15.063 1.00 23.13 O ATOM 1899 CB GLU A 127 46.512 0.758 16.772 1.00 11.02 C ATOM 1900 CG GLU A 127 45.844 2.106 16.985 1.00 14.01 C ATOM 1901 CD GLU A 127 46.102 2.673 18.368 1.00 3.05 C ATOM 1902 OE1 GLU A 127 46.492 1.896 19.265 1.00 15.22 O ATOM 1903 OE2 GLU A 127 45.914 3.893 18.553 1.00 25.34 O1- ATOM 0 H GLU A 127 44.565 -0.174 15.455 1.00 3.11 H new ATOM 0 HA GLU A 127 47.061 1.139 14.729 1.00 3.11 H new ATOM 0 HB2 GLU A 127 45.963 -0.002 17.328 1.00 11.02 H new ATOM 0 HB3 GLU A 127 47.519 0.792 17.187 1.00 11.02 H new ATOM 0 HG2 GLU A 127 46.206 2.809 16.235 1.00 14.01 H new ATOM 0 HG3 GLU A 127 44.770 2.003 16.833 1.00 14.01 H new TER 1910 GLU A 127