USER MOD reduce.3.24.130724 H: found=0, std=0, add=949, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 943 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 31 HIS : no HD1:sc= -1.23 K(o=-1.2,f=-0.28) USER MOD Set 1.2: A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -115:sc= 0.0667 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.175 USER MOD Single : A 8 SER OG : rot 170:sc= -0.48 USER MOD Single : A 9 LYS NZ :NH3+ 162:sc= -0.0263 (180deg=-0.25) USER MOD Single : A 10 CYS SG : rot -140:sc= 0 USER MOD Single : A 13 MET CE :methyl -115:sc= -2.22 (180deg=-10.2!) USER MOD Single : A 15 LYS NZ :NH3+ 156:sc= -0.107 (180deg=-0.454) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -3.4! K(o=-3.4!,f=-0.35) USER MOD Single : A 35 LYS NZ :NH3+ 163:sc= -0.0428 (180deg=-0.269) USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.646 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 132:sc= 0.0821 USER MOD Single : A 50 SER OG : rot 180:sc= 0.013 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 56 HIS : no HD1:sc= -0.0262 X(o=-0.026,f=-0.006) USER MOD Single : A 59 THR OG1 : rot 168:sc= 1.19 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 33:sc= 1.02 USER MOD Single : A 70 LYS NZ :NH3+ -118:sc= -2.39 (180deg=-10.6!) USER MOD Single : A 75 THR OG1 : rot 77:sc= 1.27 USER MOD Single : A 76 LYS NZ :NH3+ 157:sc= -0.0503 (180deg=-0.362) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 150:sc=-0.00212 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot -102:sc= 0.00307 USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 88 HIS : no HD1:sc= -0.102 X(o=-0.1,f=-0.32) USER MOD Single : A 90 HIS : no HD1:sc= -0.318 X(o=-0.32,f=-0.76) USER MOD Single : A 96 THR OG1 : rot 180:sc= -0.0082 USER MOD Single : A 98 ASN : amide:sc= 0 X(o=0,f=-0.0007) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 105 TYR OH : rot 30:sc= -0.675 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 MET CE :methyl -169:sc= 0 (180deg=-0.22) USER MOD Single : A 112 SER OG : rot 148:sc= 0.664 USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 THR OG1 : rot -68:sc= 0.234 USER MOD Single : A 119 MET CE :methyl -109:sc= -3.58! (180deg=-7.2!) USER MOD Single : A 123 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 ASN : amide:sc= -0.168 X(o=-0.17,f=-0.26) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.148 -14.940 3.163 1.00 74.13 N ATOM 2 CA GLY A 1 -5.145 -13.710 3.934 1.00 34.14 C ATOM 3 C GLY A 1 -4.631 -12.528 3.138 1.00 1.51 C ATOM 4 O GLY A 1 -4.034 -12.682 2.072 1.00 72.31 O ATOM 0 H1 GLY A 1 -6.127 -15.264 3.030 1.00 74.13 H new ATOM 0 H2 GLY A 1 -4.711 -14.769 2.235 1.00 74.13 H new ATOM 0 H3 GLY A 1 -4.608 -15.669 3.671 1.00 74.13 H new ATOM 0 HA2 GLY A 1 -6.157 -13.499 4.279 1.00 34.14 H new ATOM 0 HA3 GLY A 1 -4.527 -13.843 4.822 1.00 34.14 H new ATOM 8 N PRO A 2 -4.866 -11.313 3.658 1.00 21.03 N ATOM 9 CA PRO A 2 -4.431 -10.076 3.003 1.00 2.31 C ATOM 10 C PRO A 2 -2.916 -9.905 3.033 1.00 61.30 C ATOM 11 O PRO A 2 -2.293 -9.607 2.013 1.00 14.21 O ATOM 12 CB PRO A 2 -5.109 -8.981 3.830 1.00 23.42 C ATOM 13 CG PRO A 2 -5.319 -9.594 5.171 1.00 33.11 C ATOM 14 CD PRO A 2 -5.571 -11.055 4.924 1.00 34.03 C ATOM 0 HA PRO A 2 -4.697 -10.059 1.946 1.00 2.31 H new ATOM 0 HB2 PRO A 2 -4.484 -8.090 3.895 1.00 23.42 H new ATOM 0 HB3 PRO A 2 -6.054 -8.675 3.382 1.00 23.42 H new ATOM 0 HG2 PRO A 2 -4.445 -9.451 5.807 1.00 33.11 H new ATOM 0 HG3 PRO A 2 -6.164 -9.133 5.683 1.00 33.11 H new ATOM 0 HD2 PRO A 2 -5.182 -11.672 5.734 1.00 34.03 H new ATOM 0 HD3 PRO A 2 -6.636 -11.271 4.842 1.00 34.03 H new ATOM 22 N THR A 3 -2.326 -10.096 4.209 1.00 23.42 N ATOM 23 CA THR A 3 -0.884 -9.962 4.372 1.00 41.32 C ATOM 24 C THR A 3 -0.354 -10.954 5.401 1.00 20.13 C ATOM 25 O THR A 3 -1.117 -11.708 6.003 1.00 54.11 O ATOM 26 CB THR A 3 -0.498 -8.536 4.805 1.00 33.42 C ATOM 27 OG1 THR A 3 -0.899 -8.309 6.161 1.00 11.12 O ATOM 28 CG2 THR A 3 -1.148 -7.501 3.899 1.00 11.31 C ATOM 0 H THR A 3 -2.825 -10.344 5.063 1.00 23.42 H new ATOM 0 HA THR A 3 -0.435 -10.173 3.402 1.00 41.32 H new ATOM 0 HB THR A 3 0.585 -8.437 4.726 1.00 33.42 H new ATOM 0 HG1 THR A 3 -0.648 -7.400 6.429 1.00 11.12 H new ATOM 0 HG21 THR A 3 -0.861 -6.501 4.224 1.00 11.31 H new ATOM 0 HG22 THR A 3 -0.817 -7.657 2.872 1.00 11.31 H new ATOM 0 HG23 THR A 3 -2.232 -7.602 3.951 1.00 11.31 H new ATOM 36 N GLY A 4 0.962 -10.949 5.597 1.00 1.33 N ATOM 37 CA GLY A 4 1.572 -11.853 6.554 1.00 1.34 C ATOM 38 C GLY A 4 1.851 -11.185 7.886 1.00 45.41 C ATOM 39 O GLY A 4 1.069 -10.354 8.348 1.00 60.11 O ATOM 0 H GLY A 4 1.615 -10.335 5.110 1.00 1.33 H new ATOM 0 HA2 GLY A 4 0.915 -12.709 6.711 1.00 1.34 H new ATOM 0 HA3 GLY A 4 2.505 -12.238 6.142 1.00 1.34 H new ATOM 43 N THR A 5 2.969 -11.551 8.507 1.00 12.54 N ATOM 44 CA THR A 5 3.346 -10.984 9.796 1.00 74.23 C ATOM 45 C THR A 5 4.832 -11.188 10.072 1.00 64.14 C ATOM 46 O THR A 5 5.459 -12.089 9.516 1.00 14.45 O ATOM 47 CB THR A 5 2.533 -11.608 10.945 1.00 71.41 C ATOM 48 OG1 THR A 5 3.092 -11.226 12.206 1.00 32.23 O ATOM 49 CG2 THR A 5 2.512 -13.125 10.832 1.00 53.45 C ATOM 0 H THR A 5 3.628 -12.237 8.138 1.00 12.54 H new ATOM 0 HA THR A 5 3.130 -9.917 9.747 1.00 74.23 H new ATOM 0 HB THR A 5 1.509 -11.240 10.877 1.00 71.41 H new ATOM 0 HG1 THR A 5 2.568 -11.626 12.931 1.00 32.23 H new ATOM 0 HG21 THR A 5 1.932 -13.543 11.655 1.00 53.45 H new ATOM 0 HG22 THR A 5 2.057 -13.413 9.884 1.00 53.45 H new ATOM 0 HG23 THR A 5 3.532 -13.507 10.876 1.00 53.45 H new ATOM 57 N GLY A 6 5.391 -10.345 10.934 1.00 24.13 N ATOM 58 CA GLY A 6 6.799 -10.449 11.269 1.00 71.40 C ATOM 59 C GLY A 6 7.687 -10.469 10.041 1.00 43.52 C ATOM 60 O GLY A 6 8.526 -11.355 9.889 1.00 52.21 O ATOM 0 H GLY A 6 4.893 -9.591 11.407 1.00 24.13 H new ATOM 0 HA2 GLY A 6 7.081 -9.609 11.904 1.00 71.40 H new ATOM 0 HA3 GLY A 6 6.965 -11.357 11.849 1.00 71.40 H new ATOM 64 N GLU A 7 7.500 -9.489 9.161 1.00 62.41 N ATOM 65 CA GLU A 7 8.289 -9.399 7.939 1.00 61.05 C ATOM 66 C GLU A 7 9.413 -8.379 8.091 1.00 62.33 C ATOM 67 O GLU A 7 9.574 -7.770 9.149 1.00 20.21 O ATOM 68 CB GLU A 7 7.397 -9.019 6.756 1.00 41.31 C ATOM 69 CG GLU A 7 7.092 -10.181 5.826 1.00 34.13 C ATOM 70 CD GLU A 7 6.019 -9.847 4.808 1.00 31.31 C ATOM 71 OE1 GLU A 7 5.926 -8.667 4.409 1.00 50.32 O ATOM 72 OE2 GLU A 7 5.271 -10.766 4.409 1.00 35.02 O1- ATOM 0 H GLU A 7 6.809 -8.747 9.273 1.00 62.41 H new ATOM 0 HA GLU A 7 8.732 -10.377 7.751 1.00 61.05 H new ATOM 0 HB2 GLU A 7 6.459 -8.612 7.135 1.00 41.31 H new ATOM 0 HB3 GLU A 7 7.882 -8.226 6.186 1.00 41.31 H new ATOM 0 HG2 GLU A 7 8.004 -10.473 5.305 1.00 34.13 H new ATOM 0 HG3 GLU A 7 6.773 -11.040 6.416 1.00 34.13 H new ATOM 79 N SER A 8 10.188 -8.198 7.026 1.00 11.13 N ATOM 80 CA SER A 8 11.300 -7.255 7.042 1.00 73.41 C ATOM 81 C SER A 8 12.208 -7.506 8.242 1.00 2.22 C ATOM 82 O SER A 8 12.834 -6.584 8.765 1.00 44.50 O ATOM 83 CB SER A 8 10.777 -5.818 7.076 1.00 62.10 C ATOM 84 OG SER A 8 10.519 -5.338 5.768 1.00 14.33 O ATOM 0 H SER A 8 10.066 -8.692 6.142 1.00 11.13 H new ATOM 0 HA SER A 8 11.881 -7.401 6.132 1.00 73.41 H new ATOM 0 HB2 SER A 8 9.864 -5.774 7.670 1.00 62.10 H new ATOM 0 HB3 SER A 8 11.507 -5.174 7.566 1.00 62.10 H new ATOM 0 HG SER A 8 10.038 -4.486 5.821 1.00 14.33 H new ATOM 90 N LYS A 9 12.276 -8.761 8.673 1.00 44.32 N ATOM 91 CA LYS A 9 13.108 -9.137 9.810 1.00 23.33 C ATOM 92 C LYS A 9 14.544 -9.401 9.370 1.00 33.34 C ATOM 93 O LYS A 9 15.492 -8.906 9.980 1.00 14.24 O ATOM 94 CB LYS A 9 12.537 -10.379 10.497 1.00 44.14 C ATOM 95 CG LYS A 9 13.082 -10.604 11.897 1.00 44.04 C ATOM 96 CD LYS A 9 12.568 -11.903 12.494 1.00 2.52 C ATOM 97 CE LYS A 9 13.378 -13.097 12.012 1.00 53.35 C ATOM 98 NZ LYS A 9 14.750 -13.104 12.588 1.00 32.34 N1+ ATOM 0 H LYS A 9 11.764 -9.536 8.251 1.00 44.32 H new ATOM 0 HA LYS A 9 13.110 -8.307 10.517 1.00 23.33 H new ATOM 0 HB2 LYS A 9 11.452 -10.289 10.549 1.00 44.14 H new ATOM 0 HB3 LYS A 9 12.755 -11.255 9.886 1.00 44.14 H new ATOM 0 HG2 LYS A 9 14.171 -10.623 11.865 1.00 44.04 H new ATOM 0 HG3 LYS A 9 12.796 -9.770 12.538 1.00 44.04 H new ATOM 0 HD2 LYS A 9 12.612 -11.847 13.582 1.00 2.52 H new ATOM 0 HD3 LYS A 9 11.521 -12.039 12.224 1.00 2.52 H new ATOM 0 HE2 LYS A 9 12.864 -14.019 12.286 1.00 53.35 H new ATOM 0 HE3 LYS A 9 13.441 -13.078 10.924 1.00 53.35 H new ATOM 0 HZ1 LYS A 9 15.161 -14.055 12.495 1.00 32.34 H new ATOM 0 HZ2 LYS A 9 15.344 -12.419 12.079 1.00 32.34 H new ATOM 0 HZ3 LYS A 9 14.706 -12.843 13.594 1.00 32.34 H new ATOM 112 N CYS A 10 14.698 -10.183 8.306 1.00 72.52 N ATOM 113 CA CYS A 10 16.019 -10.512 7.784 1.00 50.34 C ATOM 114 C CYS A 10 16.394 -9.586 6.632 1.00 44.02 C ATOM 115 O CYS A 10 15.541 -8.947 6.013 1.00 44.02 O ATOM 116 CB CYS A 10 16.058 -11.968 7.318 1.00 33.40 C ATOM 117 SG CYS A 10 16.542 -13.142 8.605 1.00 22.45 S ATOM 0 H CYS A 10 13.924 -10.600 7.789 1.00 72.52 H new ATOM 0 HA CYS A 10 16.744 -10.376 8.586 1.00 50.34 H new ATOM 0 HB2 CYS A 10 15.073 -12.244 6.941 1.00 33.40 H new ATOM 0 HB3 CYS A 10 16.754 -12.053 6.483 1.00 33.40 H new ATOM 0 HG CYS A 10 17.326 -14.046 8.096 1.00 22.45 H new ATOM 123 N PRO A 11 17.699 -9.510 6.334 1.00 41.21 N ATOM 124 CA PRO A 11 18.218 -8.663 5.255 1.00 32.44 C ATOM 125 C PRO A 11 17.834 -9.185 3.875 1.00 33.11 C ATOM 126 O PRO A 11 17.901 -8.458 2.884 1.00 40.40 O ATOM 127 CB PRO A 11 19.734 -8.730 5.450 1.00 52.53 C ATOM 128 CG PRO A 11 19.971 -10.024 6.150 1.00 50.33 C ATOM 129 CD PRO A 11 18.770 -10.243 7.029 1.00 12.12 C ATOM 0 HA PRO A 11 17.814 -7.652 5.299 1.00 32.44 H new ATOM 0 HB2 PRO A 11 20.258 -8.695 4.495 1.00 52.53 H new ATOM 0 HB3 PRO A 11 20.094 -7.888 6.042 1.00 52.53 H new ATOM 0 HG2 PRO A 11 20.086 -10.839 5.436 1.00 50.33 H new ATOM 0 HG3 PRO A 11 20.886 -9.987 6.741 1.00 50.33 H new ATOM 0 HD2 PRO A 11 18.533 -11.302 7.128 1.00 12.12 H new ATOM 0 HD3 PRO A 11 18.933 -9.857 8.035 1.00 12.12 H new ATOM 137 N LEU A 12 17.432 -10.451 3.816 1.00 24.44 N ATOM 138 CA LEU A 12 17.037 -11.071 2.556 1.00 13.33 C ATOM 139 C LEU A 12 15.845 -12.000 2.757 1.00 62.23 C ATOM 140 O LEU A 12 15.907 -12.943 3.545 1.00 61.54 O ATOM 141 CB LEU A 12 18.211 -11.849 1.958 1.00 1.41 C ATOM 142 CG LEU A 12 18.190 -12.033 0.441 1.00 23.13 C ATOM 143 CD1 LEU A 12 19.596 -11.933 -0.129 1.00 43.24 C ATOM 144 CD2 LEU A 12 17.557 -13.368 0.074 1.00 3.34 C ATOM 0 H LEU A 12 17.371 -11.068 4.626 1.00 24.44 H new ATOM 0 HA LEU A 12 16.744 -10.280 1.866 1.00 13.33 H new ATOM 0 HB2 LEU A 12 19.135 -11.339 2.229 1.00 1.41 H new ATOM 0 HB3 LEU A 12 18.243 -12.834 2.423 1.00 1.41 H new ATOM 0 HG LEU A 12 17.587 -11.236 0.006 1.00 23.13 H new ATOM 0 HD11 LEU A 12 19.561 -12.067 -1.210 1.00 43.24 H new ATOM 0 HD12 LEU A 12 20.013 -10.953 0.102 1.00 43.24 H new ATOM 0 HD13 LEU A 12 20.223 -12.708 0.312 1.00 43.24 H new ATOM 0 HD21 LEU A 12 17.551 -13.482 -1.010 1.00 3.34 H new ATOM 0 HD22 LEU A 12 18.133 -14.179 0.521 1.00 3.34 H new ATOM 0 HD23 LEU A 12 16.534 -13.401 0.448 1.00 3.34 H new ATOM 156 N MET A 13 14.761 -11.729 2.037 1.00 42.14 N ATOM 157 CA MET A 13 13.556 -12.544 2.134 1.00 33.41 C ATOM 158 C MET A 13 13.031 -12.906 0.748 1.00 40.04 C ATOM 159 O MET A 13 12.777 -12.029 -0.079 1.00 53.03 O ATOM 160 CB MET A 13 12.476 -11.802 2.923 1.00 72.22 C ATOM 161 CG MET A 13 11.593 -12.720 3.754 1.00 31.44 C ATOM 162 SD MET A 13 10.553 -13.788 2.740 1.00 1.33 S ATOM 163 CE MET A 13 9.083 -12.776 2.580 1.00 15.23 C ATOM 0 H MET A 13 14.693 -10.952 1.380 1.00 42.14 H new ATOM 0 HA MET A 13 13.811 -13.465 2.658 1.00 33.41 H new ATOM 0 HB2 MET A 13 12.953 -11.076 3.581 1.00 72.22 H new ATOM 0 HB3 MET A 13 11.851 -11.241 2.229 1.00 72.22 H new ATOM 0 HG2 MET A 13 12.220 -13.336 4.398 1.00 31.44 H new ATOM 0 HG3 MET A 13 10.961 -12.117 4.406 1.00 31.44 H new ATOM 0 HE1 MET A 13 8.247 -13.268 3.076 1.00 15.23 H new ATOM 0 HE2 MET A 13 9.258 -11.804 3.042 1.00 15.23 H new ATOM 0 HE3 MET A 13 8.849 -12.639 1.524 1.00 15.23 H new ATOM 173 N VAL A 14 12.871 -14.202 0.500 1.00 0.34 N ATOM 174 CA VAL A 14 12.376 -14.679 -0.785 1.00 54.11 C ATOM 175 C VAL A 14 10.957 -15.224 -0.660 1.00 75.31 C ATOM 176 O VAL A 14 10.730 -16.252 -0.023 1.00 44.51 O ATOM 177 CB VAL A 14 13.287 -15.777 -1.365 1.00 71.42 C ATOM 178 CG1 VAL A 14 12.859 -16.135 -2.779 1.00 65.25 C ATOM 179 CG2 VAL A 14 14.741 -15.334 -1.335 1.00 54.20 C ATOM 0 H VAL A 14 13.077 -14.940 1.173 1.00 0.34 H new ATOM 0 HA VAL A 14 12.375 -13.824 -1.461 1.00 54.11 H new ATOM 0 HB VAL A 14 13.190 -16.669 -0.746 1.00 71.42 H new ATOM 0 HG11 VAL A 14 13.514 -16.912 -3.172 1.00 65.25 H new ATOM 0 HG12 VAL A 14 11.832 -16.499 -2.767 1.00 65.25 H new ATOM 0 HG13 VAL A 14 12.924 -15.251 -3.414 1.00 65.25 H new ATOM 0 HG21 VAL A 14 15.370 -16.122 -1.749 1.00 54.20 H new ATOM 0 HG22 VAL A 14 14.858 -14.428 -1.929 1.00 54.20 H new ATOM 0 HG23 VAL A 14 15.039 -15.134 -0.306 1.00 54.20 H new ATOM 189 N LYS A 15 10.006 -14.528 -1.273 1.00 45.14 N ATOM 190 CA LYS A 15 8.608 -14.941 -1.233 1.00 34.42 C ATOM 191 C LYS A 15 8.213 -15.646 -2.526 1.00 3.44 C ATOM 192 O LYS A 15 8.216 -15.045 -3.600 1.00 33.44 O ATOM 193 CB LYS A 15 7.703 -13.729 -1.003 1.00 23.14 C ATOM 194 CG LYS A 15 6.303 -14.094 -0.542 1.00 20.51 C ATOM 195 CD LYS A 15 6.192 -14.072 0.974 1.00 21.44 C ATOM 196 CE LYS A 15 5.865 -12.680 1.489 1.00 61.00 C ATOM 197 NZ LYS A 15 4.498 -12.248 1.088 1.00 31.20 N1+ ATOM 0 H LYS A 15 10.178 -13.674 -1.804 1.00 45.14 H new ATOM 0 HA LYS A 15 8.485 -15.640 -0.406 1.00 34.42 H new ATOM 0 HB2 LYS A 15 8.163 -13.078 -0.259 1.00 23.14 H new ATOM 0 HB3 LYS A 15 7.634 -13.157 -1.928 1.00 23.14 H new ATOM 0 HG2 LYS A 15 5.584 -13.396 -0.971 1.00 20.51 H new ATOM 0 HG3 LYS A 15 6.044 -15.086 -0.912 1.00 20.51 H new ATOM 0 HD2 LYS A 15 5.418 -14.770 1.293 1.00 21.44 H new ATOM 0 HD3 LYS A 15 7.130 -14.413 1.413 1.00 21.44 H new ATOM 0 HE2 LYS A 15 5.946 -12.666 2.576 1.00 61.00 H new ATOM 0 HE3 LYS A 15 6.598 -11.970 1.106 1.00 61.00 H new ATOM 0 HZ1 LYS A 15 4.153 -11.526 1.753 1.00 31.20 H new ATOM 0 HZ2 LYS A 15 4.528 -11.849 0.128 1.00 31.20 H new ATOM 0 HZ3 LYS A 15 3.857 -13.067 1.103 1.00 31.20 H new ATOM 211 N VAL A 16 7.870 -16.927 -2.416 1.00 43.13 N ATOM 212 CA VAL A 16 7.469 -17.712 -3.576 1.00 14.13 C ATOM 213 C VAL A 16 5.958 -17.913 -3.609 1.00 22.53 C ATOM 214 O VAL A 16 5.415 -18.744 -2.878 1.00 43.30 O ATOM 215 CB VAL A 16 8.159 -19.090 -3.585 1.00 62.10 C ATOM 216 CG1 VAL A 16 7.763 -19.877 -4.827 1.00 24.42 C ATOM 217 CG2 VAL A 16 9.669 -18.930 -3.505 1.00 0.34 C ATOM 0 H VAL A 16 7.862 -17.441 -1.535 1.00 43.13 H new ATOM 0 HA VAL A 16 7.777 -17.152 -4.459 1.00 14.13 H new ATOM 0 HB VAL A 16 7.829 -19.648 -2.709 1.00 62.10 H new ATOM 0 HG11 VAL A 16 8.260 -20.847 -4.817 1.00 24.42 H new ATOM 0 HG12 VAL A 16 6.683 -20.022 -4.837 1.00 24.42 H new ATOM 0 HG13 VAL A 16 8.063 -19.326 -5.718 1.00 24.42 H new ATOM 0 HG21 VAL A 16 10.140 -19.913 -3.512 1.00 0.34 H new ATOM 0 HG22 VAL A 16 10.020 -18.353 -4.361 1.00 0.34 H new ATOM 0 HG23 VAL A 16 9.931 -18.409 -2.584 1.00 0.34 H new ATOM 227 N LEU A 17 5.283 -17.147 -4.460 1.00 52.23 N ATOM 228 CA LEU A 17 3.834 -17.241 -4.588 1.00 52.32 C ATOM 229 C LEU A 17 3.442 -17.784 -5.958 1.00 63.31 C ATOM 230 O LEU A 17 4.213 -17.697 -6.915 1.00 71.44 O ATOM 231 CB LEU A 17 3.193 -15.869 -4.369 1.00 44.04 C ATOM 232 CG LEU A 17 2.424 -15.688 -3.060 1.00 44.34 C ATOM 233 CD1 LEU A 17 3.236 -14.861 -2.075 1.00 1.50 C ATOM 234 CD2 LEU A 17 1.074 -15.037 -3.320 1.00 53.44 C ATOM 0 H LEU A 17 5.716 -16.455 -5.071 1.00 52.23 H new ATOM 0 HA LEU A 17 3.471 -17.931 -3.827 1.00 52.32 H new ATOM 0 HB2 LEU A 17 3.977 -15.113 -4.414 1.00 44.04 H new ATOM 0 HB3 LEU A 17 2.512 -15.672 -5.197 1.00 44.04 H new ATOM 0 HG LEU A 17 2.252 -16.671 -2.623 1.00 44.34 H new ATOM 0 HD11 LEU A 17 2.673 -14.742 -1.149 1.00 1.50 H new ATOM 0 HD12 LEU A 17 4.178 -15.367 -1.865 1.00 1.50 H new ATOM 0 HD13 LEU A 17 3.439 -13.880 -2.504 1.00 1.50 H new ATOM 0 HD21 LEU A 17 0.541 -14.916 -2.377 1.00 53.44 H new ATOM 0 HD22 LEU A 17 1.224 -14.060 -3.780 1.00 53.44 H new ATOM 0 HD23 LEU A 17 0.489 -15.668 -3.989 1.00 53.44 H new ATOM 246 N ASP A 18 2.240 -18.344 -6.046 1.00 52.03 N ATOM 247 CA ASP A 18 1.745 -18.898 -7.300 1.00 1.53 C ATOM 248 C ASP A 18 0.780 -17.931 -7.979 1.00 31.30 C ATOM 249 O ASP A 18 -0.130 -17.398 -7.344 1.00 2.31 O ATOM 250 CB ASP A 18 1.052 -20.238 -7.051 1.00 21.40 C ATOM 251 CG ASP A 18 1.029 -21.117 -8.286 1.00 31.11 C ATOM 252 OD1 ASP A 18 1.038 -20.565 -9.407 1.00 53.44 O ATOM 253 OD2 ASP A 18 1.002 -22.356 -8.132 1.00 31.41 O1- ATOM 0 H ASP A 18 1.591 -18.426 -5.263 1.00 52.03 H new ATOM 0 HA ASP A 18 2.598 -19.055 -7.961 1.00 1.53 H new ATOM 0 HB2 ASP A 18 1.563 -20.763 -6.244 1.00 21.40 H new ATOM 0 HB3 ASP A 18 0.030 -20.059 -6.717 1.00 21.40 H new ATOM 258 N ALA A 19 0.986 -17.708 -9.273 1.00 54.11 N ATOM 259 CA ALA A 19 0.134 -16.805 -10.037 1.00 4.04 C ATOM 260 C ALA A 19 -1.119 -17.520 -10.531 1.00 72.45 C ATOM 261 O ALA A 19 -2.138 -16.887 -10.807 1.00 54.10 O ATOM 262 CB ALA A 19 0.906 -16.219 -11.211 1.00 64.31 C ATOM 0 H ALA A 19 1.735 -18.140 -9.814 1.00 54.11 H new ATOM 0 HA ALA A 19 -0.177 -15.994 -9.379 1.00 4.04 H new ATOM 0 HB1 ALA A 19 0.258 -15.546 -11.773 1.00 64.31 H new ATOM 0 HB2 ALA A 19 1.768 -15.666 -10.839 1.00 64.31 H new ATOM 0 HB3 ALA A 19 1.245 -17.025 -11.862 1.00 64.31 H new ATOM 268 N VAL A 20 -1.037 -18.843 -10.639 1.00 1.32 N ATOM 269 CA VAL A 20 -2.165 -19.643 -11.099 1.00 4.11 C ATOM 270 C VAL A 20 -3.098 -19.992 -9.944 1.00 34.21 C ATOM 271 O VAL A 20 -4.314 -20.074 -10.119 1.00 24.34 O ATOM 272 CB VAL A 20 -1.693 -20.944 -11.773 1.00 64.24 C ATOM 273 CG1 VAL A 20 -2.878 -21.844 -12.091 1.00 42.40 C ATOM 274 CG2 VAL A 20 -0.896 -20.633 -13.032 1.00 1.33 C ATOM 0 H VAL A 20 -0.201 -19.382 -10.414 1.00 1.32 H new ATOM 0 HA VAL A 20 -2.704 -19.039 -11.829 1.00 4.11 H new ATOM 0 HB VAL A 20 -1.041 -21.475 -11.079 1.00 64.24 H new ATOM 0 HG11 VAL A 20 -2.523 -22.758 -12.567 1.00 42.40 H new ATOM 0 HG12 VAL A 20 -3.402 -22.095 -11.169 1.00 42.40 H new ATOM 0 HG13 VAL A 20 -3.559 -21.325 -12.765 1.00 42.40 H new ATOM 0 HG21 VAL A 20 -0.570 -21.564 -13.496 1.00 1.33 H new ATOM 0 HG22 VAL A 20 -1.522 -20.079 -13.731 1.00 1.33 H new ATOM 0 HG23 VAL A 20 -0.024 -20.033 -12.772 1.00 1.33 H new ATOM 284 N ARG A 21 -2.521 -20.197 -8.765 1.00 70.43 N ATOM 285 CA ARG A 21 -3.300 -20.538 -7.581 1.00 40.24 C ATOM 286 C ARG A 21 -3.538 -19.306 -6.714 1.00 25.13 C ATOM 287 O ARG A 21 -4.486 -19.259 -5.930 1.00 25.45 O ATOM 288 CB ARG A 21 -2.584 -21.618 -6.767 1.00 54.04 C ATOM 289 CG ARG A 21 -2.011 -22.741 -7.615 1.00 23.13 C ATOM 290 CD ARG A 21 -1.336 -23.799 -6.757 1.00 70.24 C ATOM 291 NE ARG A 21 -2.272 -24.429 -5.829 1.00 32.25 N ATOM 292 CZ ARG A 21 -3.234 -25.263 -6.209 1.00 13.33 C ATOM 293 NH1 ARG A 21 -3.387 -25.565 -7.491 1.00 64.54 N1+ ATOM 294 NH2 ARG A 21 -4.047 -25.796 -5.306 1.00 42.11 N ATOM 0 H ARG A 21 -1.516 -20.133 -8.604 1.00 70.43 H new ATOM 0 HA ARG A 21 -4.266 -20.921 -7.910 1.00 40.24 H new ATOM 0 HB2 ARG A 21 -1.777 -21.157 -6.197 1.00 54.04 H new ATOM 0 HB3 ARG A 21 -3.283 -22.040 -6.045 1.00 54.04 H new ATOM 0 HG2 ARG A 21 -2.808 -23.200 -8.200 1.00 23.13 H new ATOM 0 HG3 ARG A 21 -1.291 -22.332 -8.324 1.00 23.13 H new ATOM 0 HD2 ARG A 21 -0.895 -24.561 -7.400 1.00 70.24 H new ATOM 0 HD3 ARG A 21 -0.520 -23.344 -6.196 1.00 70.24 H new ATOM 0 HE ARG A 21 -2.182 -24.217 -4.835 1.00 32.25 H new ATOM 0 HH11 ARG A 21 -2.765 -25.157 -8.189 1.00 64.54 H new ATOM 0 HH12 ARG A 21 -4.127 -26.206 -7.779 1.00 64.54 H new ATOM 0 HH21 ARG A 21 -3.934 -25.566 -4.319 1.00 42.11 H new ATOM 0 HH22 ARG A 21 -4.785 -26.436 -5.599 1.00 42.11 H new ATOM 308 N GLY A 22 -2.670 -18.309 -6.859 1.00 14.01 N ATOM 309 CA GLY A 22 -2.802 -17.090 -6.082 1.00 71.33 C ATOM 310 C GLY A 22 -2.460 -17.294 -4.620 1.00 55.30 C ATOM 311 O GLY A 22 -2.904 -16.535 -3.759 1.00 35.44 O ATOM 0 H GLY A 22 -1.877 -18.324 -7.501 1.00 14.01 H new ATOM 0 HA2 GLY A 22 -2.150 -16.324 -6.501 1.00 71.33 H new ATOM 0 HA3 GLY A 22 -3.824 -16.719 -6.165 1.00 71.33 H new ATOM 315 N SER A 23 -1.667 -18.324 -4.338 1.00 52.31 N ATOM 316 CA SER A 23 -1.269 -18.629 -2.969 1.00 31.20 C ATOM 317 C SER A 23 0.209 -18.998 -2.902 1.00 73.43 C ATOM 318 O SER A 23 0.831 -19.359 -3.903 1.00 43.22 O ATOM 319 CB SER A 23 -2.118 -19.774 -2.412 1.00 51.44 C ATOM 320 OG SER A 23 -3.276 -19.281 -1.762 1.00 24.23 O ATOM 0 H SER A 23 -1.288 -18.960 -5.039 1.00 52.31 H new ATOM 0 HA SER A 23 -1.431 -17.738 -2.363 1.00 31.20 H new ATOM 0 HB2 SER A 23 -2.409 -20.443 -3.222 1.00 51.44 H new ATOM 0 HB3 SER A 23 -1.526 -20.362 -1.711 1.00 51.44 H new ATOM 0 HG SER A 23 -3.802 -20.032 -1.417 1.00 24.23 H new ATOM 326 N PRO A 24 0.788 -18.906 -1.696 1.00 13.40 N ATOM 327 CA PRO A 24 2.201 -19.227 -1.469 1.00 34.35 C ATOM 328 C PRO A 24 2.485 -20.718 -1.600 1.00 53.53 C ATOM 329 O PRO A 24 1.726 -21.551 -1.104 1.00 40.42 O ATOM 330 CB PRO A 24 2.443 -18.760 -0.032 1.00 12.41 C ATOM 331 CG PRO A 24 1.103 -18.817 0.617 1.00 62.31 C ATOM 332 CD PRO A 24 0.108 -18.483 -0.460 1.00 53.31 C ATOM 0 HA PRO A 24 2.851 -18.750 -2.202 1.00 34.35 H new ATOM 0 HB2 PRO A 24 3.158 -19.405 0.479 1.00 12.41 H new ATOM 0 HB3 PRO A 24 2.852 -17.750 -0.008 1.00 12.41 H new ATOM 0 HG2 PRO A 24 0.912 -19.807 1.032 1.00 62.31 H new ATOM 0 HG3 PRO A 24 1.038 -18.108 1.442 1.00 62.31 H new ATOM 0 HD2 PRO A 24 -0.833 -19.015 -0.317 1.00 53.31 H new ATOM 0 HD3 PRO A 24 -0.126 -17.419 -0.474 1.00 53.31 H new ATOM 340 N ALA A 25 3.583 -21.050 -2.270 1.00 24.51 N ATOM 341 CA ALA A 25 3.969 -22.443 -2.464 1.00 10.44 C ATOM 342 C ALA A 25 4.668 -22.996 -1.227 1.00 33.45 C ATOM 343 O ALA A 25 5.349 -22.265 -0.508 1.00 43.13 O ATOM 344 CB ALA A 25 4.869 -22.576 -3.684 1.00 61.41 C ATOM 0 H ALA A 25 4.222 -20.373 -2.688 1.00 24.51 H new ATOM 0 HA ALA A 25 3.063 -23.026 -2.629 1.00 10.44 H new ATOM 0 HB1 ALA A 25 5.150 -23.621 -3.817 1.00 61.41 H new ATOM 0 HB2 ALA A 25 4.336 -22.228 -4.569 1.00 61.41 H new ATOM 0 HB3 ALA A 25 5.767 -21.975 -3.541 1.00 61.41 H new ATOM 350 N ILE A 26 4.493 -24.291 -0.984 1.00 22.35 N ATOM 351 CA ILE A 26 5.107 -24.941 0.167 1.00 34.21 C ATOM 352 C ILE A 26 6.241 -25.866 -0.264 1.00 14.43 C ATOM 353 O ILE A 26 6.158 -26.525 -1.299 1.00 25.11 O ATOM 354 CB ILE A 26 4.076 -25.753 0.971 1.00 4.42 C ATOM 355 CG1 ILE A 26 3.103 -24.815 1.690 1.00 3.20 C ATOM 356 CG2 ILE A 26 4.778 -26.662 1.970 1.00 54.14 C ATOM 357 CD1 ILE A 26 2.068 -25.539 2.522 1.00 11.52 C ATOM 0 H ILE A 26 3.931 -24.910 -1.569 1.00 22.35 H new ATOM 0 HA ILE A 26 5.507 -24.149 0.800 1.00 34.21 H new ATOM 0 HB ILE A 26 3.508 -26.375 0.279 1.00 4.42 H new ATOM 0 HG12 ILE A 26 3.669 -24.142 2.334 1.00 3.20 H new ATOM 0 HG13 ILE A 26 2.595 -24.196 0.951 1.00 3.20 H new ATOM 0 HG21 ILE A 26 4.035 -27.229 2.530 1.00 54.14 H new ATOM 0 HG22 ILE A 26 5.434 -27.350 1.437 1.00 54.14 H new ATOM 0 HG23 ILE A 26 5.369 -26.058 2.659 1.00 54.14 H new ATOM 0 HD11 ILE A 26 1.413 -24.812 3.002 1.00 11.52 H new ATOM 0 HD12 ILE A 26 1.476 -26.191 1.880 1.00 11.52 H new ATOM 0 HD13 ILE A 26 2.567 -26.137 3.285 1.00 11.52 H new ATOM 369 N ASN A 27 7.299 -25.909 0.539 1.00 12.42 N ATOM 370 CA ASN A 27 8.450 -26.755 0.241 1.00 73.32 C ATOM 371 C ASN A 27 9.062 -26.385 -1.107 1.00 13.34 C ATOM 372 O ASN A 27 9.304 -27.250 -1.949 1.00 65.22 O ATOM 373 CB ASN A 27 8.039 -28.229 0.239 1.00 73.52 C ATOM 374 CG ASN A 27 7.919 -28.796 1.641 1.00 73.20 C ATOM 375 OD1 ASN A 27 8.251 -29.957 1.884 1.00 43.32 O ATOM 376 ND2 ASN A 27 7.441 -27.977 2.571 1.00 31.42 N ATOM 0 H ASN A 27 7.384 -25.369 1.400 1.00 12.42 H new ATOM 0 HA ASN A 27 9.198 -26.594 1.017 1.00 73.32 H new ATOM 0 HB2 ASN A 27 7.085 -28.337 -0.277 1.00 73.52 H new ATOM 0 HB3 ASN A 27 8.772 -28.807 -0.323 1.00 73.52 H new ATOM 0 HD21 ASN A 27 7.336 -28.302 3.532 1.00 31.42 H new ATOM 0 HD22 ASN A 27 7.179 -27.023 2.324 1.00 31.42 H new ATOM 383 N VAL A 28 9.310 -25.094 -1.304 1.00 10.34 N ATOM 384 CA VAL A 28 9.896 -24.609 -2.548 1.00 3.15 C ATOM 385 C VAL A 28 11.418 -24.599 -2.472 1.00 50.12 C ATOM 386 O VAL A 28 12.015 -23.675 -1.921 1.00 52.30 O ATOM 387 CB VAL A 28 9.399 -23.190 -2.886 1.00 72.20 C ATOM 388 CG1 VAL A 28 10.056 -22.686 -4.162 1.00 40.10 C ATOM 389 CG2 VAL A 28 7.884 -23.173 -3.013 1.00 33.20 C ATOM 0 H VAL A 28 9.114 -24.365 -0.618 1.00 10.34 H new ATOM 0 HA VAL A 28 9.580 -25.294 -3.335 1.00 3.15 H new ATOM 0 HB VAL A 28 9.679 -22.521 -2.072 1.00 72.20 H new ATOM 0 HG11 VAL A 28 9.694 -21.683 -4.386 1.00 40.10 H new ATOM 0 HG12 VAL A 28 11.137 -22.660 -4.029 1.00 40.10 H new ATOM 0 HG13 VAL A 28 9.808 -23.354 -4.987 1.00 40.10 H new ATOM 0 HG21 VAL A 28 7.550 -22.163 -3.252 1.00 33.20 H new ATOM 0 HG22 VAL A 28 7.578 -23.854 -3.807 1.00 33.20 H new ATOM 0 HG23 VAL A 28 7.436 -23.490 -2.071 1.00 33.20 H new ATOM 399 N ALA A 29 12.040 -25.634 -3.029 1.00 21.11 N ATOM 400 CA ALA A 29 13.493 -25.743 -3.025 1.00 13.43 C ATOM 401 C ALA A 29 14.139 -24.491 -3.611 1.00 73.30 C ATOM 402 O ALA A 29 14.066 -24.248 -4.816 1.00 24.22 O ATOM 403 CB ALA A 29 13.932 -26.977 -3.800 1.00 1.22 C ATOM 0 H ALA A 29 11.560 -26.408 -3.488 1.00 21.11 H new ATOM 0 HA ALA A 29 13.822 -25.841 -1.991 1.00 13.43 H new ATOM 0 HB1 ALA A 29 15.020 -27.046 -3.789 1.00 1.22 H new ATOM 0 HB2 ALA A 29 13.507 -27.868 -3.337 1.00 1.22 H new ATOM 0 HB3 ALA A 29 13.584 -26.903 -4.830 1.00 1.22 H new ATOM 409 N VAL A 30 14.771 -23.699 -2.751 1.00 52.51 N ATOM 410 CA VAL A 30 15.430 -22.472 -3.184 1.00 62.05 C ATOM 411 C VAL A 30 16.907 -22.480 -2.809 1.00 64.44 C ATOM 412 O VAL A 30 17.284 -22.960 -1.739 1.00 3.33 O ATOM 413 CB VAL A 30 14.761 -21.229 -2.566 1.00 11.02 C ATOM 414 CG1 VAL A 30 15.413 -19.958 -3.090 1.00 43.41 C ATOM 415 CG2 VAL A 30 13.267 -21.229 -2.854 1.00 50.55 C ATOM 0 H VAL A 30 14.841 -23.885 -1.750 1.00 52.51 H new ATOM 0 HA VAL A 30 15.334 -22.426 -4.269 1.00 62.05 H new ATOM 0 HB VAL A 30 14.899 -21.262 -1.485 1.00 11.02 H new ATOM 0 HG11 VAL A 30 14.928 -19.090 -2.643 1.00 43.41 H new ATOM 0 HG12 VAL A 30 16.471 -19.957 -2.829 1.00 43.41 H new ATOM 0 HG13 VAL A 30 15.307 -19.915 -4.174 1.00 43.41 H new ATOM 0 HG21 VAL A 30 12.811 -20.344 -2.410 1.00 50.55 H new ATOM 0 HG22 VAL A 30 13.104 -21.219 -3.932 1.00 50.55 H new ATOM 0 HG23 VAL A 30 12.814 -22.124 -2.427 1.00 50.55 H new ATOM 425 N HIS A 31 17.740 -21.946 -3.696 1.00 4.33 N ATOM 426 CA HIS A 31 19.178 -21.890 -3.458 1.00 20.44 C ATOM 427 C HIS A 31 19.715 -20.483 -3.701 1.00 70.41 C ATOM 428 O HIS A 31 19.208 -19.753 -4.553 1.00 62.13 O ATOM 429 CB HIS A 31 19.904 -22.889 -4.359 1.00 42.03 C ATOM 430 CG HIS A 31 19.199 -24.205 -4.486 1.00 51.24 C ATOM 431 ND1 HIS A 31 19.066 -24.875 -5.683 1.00 72.51 N ATOM 432 CD2 HIS A 31 18.589 -24.974 -3.555 1.00 21.01 C ATOM 433 CE1 HIS A 31 18.402 -26.000 -5.484 1.00 63.14 C ATOM 434 NE2 HIS A 31 18.101 -26.084 -4.201 1.00 23.04 N ATOM 0 H HIS A 31 17.444 -21.546 -4.586 1.00 4.33 H new ATOM 0 HA HIS A 31 19.360 -22.153 -2.416 1.00 20.44 H new ATOM 0 HB2 HIS A 31 20.022 -22.452 -5.351 1.00 42.03 H new ATOM 0 HB3 HIS A 31 20.906 -23.060 -3.965 1.00 42.03 H new ATOM 0 HD2 HIS A 31 18.502 -24.756 -2.501 1.00 21.01 H new ATOM 0 HE1 HIS A 31 18.149 -26.727 -6.242 1.00 63.14 H new ATOM 0 HE2 HIS A 31 17.589 -26.849 -3.761 1.00 23.04 H new ATOM 442 N VAL A 32 20.744 -20.109 -2.947 1.00 33.14 N ATOM 443 CA VAL A 32 21.350 -18.789 -3.081 1.00 13.25 C ATOM 444 C VAL A 32 22.861 -18.894 -3.252 1.00 62.02 C ATOM 445 O VAL A 32 23.545 -19.533 -2.452 1.00 63.22 O ATOM 446 CB VAL A 32 21.042 -17.904 -1.859 1.00 11.21 C ATOM 447 CG1 VAL A 32 21.460 -16.466 -2.123 1.00 62.34 C ATOM 448 CG2 VAL A 32 19.565 -17.981 -1.504 1.00 30.45 C ATOM 0 H VAL A 32 21.175 -20.701 -2.237 1.00 33.14 H new ATOM 0 HA VAL A 32 20.918 -18.330 -3.970 1.00 13.25 H new ATOM 0 HB VAL A 32 21.616 -18.275 -1.010 1.00 11.21 H new ATOM 0 HG11 VAL A 32 21.235 -15.855 -1.249 1.00 62.34 H new ATOM 0 HG12 VAL A 32 22.530 -16.430 -2.325 1.00 62.34 H new ATOM 0 HG13 VAL A 32 20.915 -16.081 -2.985 1.00 62.34 H new ATOM 0 HG21 VAL A 32 19.365 -17.350 -0.638 1.00 30.45 H new ATOM 0 HG22 VAL A 32 18.969 -17.637 -2.349 1.00 30.45 H new ATOM 0 HG23 VAL A 32 19.300 -19.012 -1.270 1.00 30.45 H new ATOM 458 N PHE A 33 23.379 -18.261 -4.300 1.00 14.51 N ATOM 459 CA PHE A 33 24.810 -18.283 -4.576 1.00 10.33 C ATOM 460 C PHE A 33 25.360 -16.865 -4.704 1.00 51.44 C ATOM 461 O PHE A 33 24.605 -15.906 -4.866 1.00 61.13 O ATOM 462 CB PHE A 33 25.091 -19.069 -5.858 1.00 54.22 C ATOM 463 CG PHE A 33 24.695 -20.516 -5.772 1.00 35.32 C ATOM 464 CD1 PHE A 33 23.367 -20.892 -5.886 1.00 23.55 C ATOM 465 CD2 PHE A 33 25.652 -21.500 -5.579 1.00 63.43 C ATOM 466 CE1 PHE A 33 23.001 -22.222 -5.808 1.00 31.23 C ATOM 467 CE2 PHE A 33 25.291 -22.831 -5.499 1.00 51.24 C ATOM 468 CZ PHE A 33 23.964 -23.193 -5.615 1.00 15.51 C ATOM 0 H PHE A 33 22.828 -17.726 -4.972 1.00 14.51 H new ATOM 0 HA PHE A 33 25.309 -18.774 -3.741 1.00 10.33 H new ATOM 0 HB2 PHE A 33 24.556 -18.603 -6.685 1.00 54.22 H new ATOM 0 HB3 PHE A 33 26.154 -19.004 -6.089 1.00 54.22 H new ATOM 0 HD1 PHE A 33 22.609 -20.137 -6.038 1.00 23.55 H new ATOM 0 HD2 PHE A 33 26.692 -21.223 -5.490 1.00 63.43 H new ATOM 0 HE1 PHE A 33 21.962 -22.502 -5.898 1.00 31.23 H new ATOM 0 HE2 PHE A 33 26.046 -23.588 -5.346 1.00 51.24 H new ATOM 0 HZ PHE A 33 23.679 -24.233 -5.555 1.00 15.51 H new ATOM 478 N ARG A 34 26.682 -16.741 -4.631 1.00 32.15 N ATOM 479 CA ARG A 34 27.334 -15.442 -4.738 1.00 13.44 C ATOM 480 C ARG A 34 28.379 -15.448 -5.849 1.00 21.02 C ATOM 481 O ARG A 34 29.159 -16.391 -5.979 1.00 3.34 O ATOM 482 CB ARG A 34 27.991 -15.067 -3.408 1.00 72.25 C ATOM 483 CG ARG A 34 28.645 -13.695 -3.417 1.00 3.34 C ATOM 484 CD ARG A 34 29.663 -13.556 -2.296 1.00 53.42 C ATOM 485 NE ARG A 34 31.023 -13.830 -2.753 1.00 31.04 N ATOM 486 CZ ARG A 34 32.028 -14.126 -1.937 1.00 34.30 C ATOM 487 NH1 ARG A 34 31.827 -14.184 -0.628 1.00 44.53 N1+ ATOM 488 NH2 ARG A 34 33.237 -14.364 -2.429 1.00 2.43 N ATOM 0 H ARG A 34 27.322 -17.524 -4.498 1.00 32.15 H new ATOM 0 HA ARG A 34 26.573 -14.701 -4.982 1.00 13.44 H new ATOM 0 HB2 ARG A 34 27.239 -15.096 -2.620 1.00 72.25 H new ATOM 0 HB3 ARG A 34 28.742 -15.817 -3.160 1.00 72.25 H new ATOM 0 HG2 ARG A 34 29.134 -13.530 -4.377 1.00 3.34 H new ATOM 0 HG3 ARG A 34 27.880 -12.925 -3.313 1.00 3.34 H new ATOM 0 HD2 ARG A 34 29.615 -12.547 -1.886 1.00 53.42 H new ATOM 0 HD3 ARG A 34 29.408 -14.241 -1.488 1.00 53.42 H new ATOM 0 HE ARG A 34 31.211 -13.792 -3.755 1.00 31.04 H new ATOM 0 HH11 ARG A 34 30.899 -14.001 -0.246 1.00 44.53 H new ATOM 0 HH12 ARG A 34 32.600 -14.412 -0.003 1.00 44.53 H new ATOM 0 HH21 ARG A 34 33.396 -14.320 -3.436 1.00 2.43 H new ATOM 0 HH22 ARG A 34 34.008 -14.591 -1.801 1.00 2.43 H new ATOM 502 N LYS A 35 28.389 -14.388 -6.651 1.00 54.20 N ATOM 503 CA LYS A 35 29.337 -14.268 -7.752 1.00 73.31 C ATOM 504 C LYS A 35 30.773 -14.362 -7.244 1.00 71.34 C ATOM 505 O LYS A 35 31.222 -13.523 -6.464 1.00 63.22 O ATOM 506 CB LYS A 35 29.131 -12.944 -8.489 1.00 24.12 C ATOM 507 CG LYS A 35 30.252 -12.605 -9.456 1.00 14.42 C ATOM 508 CD LYS A 35 30.385 -13.656 -10.546 1.00 34.13 C ATOM 509 CE LYS A 35 29.253 -13.558 -11.556 1.00 42.22 C ATOM 510 NZ LYS A 35 29.339 -12.311 -12.366 1.00 53.31 N1+ ATOM 0 H LYS A 35 27.750 -13.599 -6.558 1.00 54.20 H new ATOM 0 HA LYS A 35 29.159 -15.092 -8.444 1.00 73.31 H new ATOM 0 HB2 LYS A 35 28.190 -12.986 -9.037 1.00 24.12 H new ATOM 0 HB3 LYS A 35 29.038 -12.141 -7.757 1.00 24.12 H new ATOM 0 HG2 LYS A 35 30.061 -11.632 -9.909 1.00 14.42 H new ATOM 0 HG3 LYS A 35 31.192 -12.524 -8.911 1.00 14.42 H new ATOM 0 HD2 LYS A 35 31.341 -13.534 -11.056 1.00 34.13 H new ATOM 0 HD3 LYS A 35 30.388 -14.649 -10.097 1.00 34.13 H new ATOM 0 HE2 LYS A 35 29.281 -14.424 -12.218 1.00 42.22 H new ATOM 0 HE3 LYS A 35 28.297 -13.587 -11.034 1.00 42.22 H new ATOM 0 HZ1 LYS A 35 28.746 -12.407 -13.215 1.00 53.31 H new ATOM 0 HZ2 LYS A 35 29.005 -11.505 -11.800 1.00 53.31 H new ATOM 0 HZ3 LYS A 35 30.326 -12.149 -12.650 1.00 53.31 H new ATOM 524 N ALA A 36 31.489 -15.388 -7.695 1.00 33.44 N ATOM 525 CA ALA A 36 32.875 -15.588 -7.290 1.00 70.02 C ATOM 526 C ALA A 36 33.821 -14.736 -8.130 1.00 20.11 C ATOM 527 O ALA A 36 33.384 -13.954 -8.973 1.00 35.22 O ATOM 528 CB ALA A 36 33.249 -17.059 -7.399 1.00 3.22 C ATOM 0 H ALA A 36 31.132 -16.093 -8.340 1.00 33.44 H new ATOM 0 HA ALA A 36 32.973 -15.275 -6.250 1.00 70.02 H new ATOM 0 HB1 ALA A 36 34.287 -17.194 -7.094 1.00 3.22 H new ATOM 0 HB2 ALA A 36 32.600 -17.648 -6.751 1.00 3.22 H new ATOM 0 HB3 ALA A 36 33.128 -17.390 -8.431 1.00 3.22 H new ATOM 534 N ALA A 37 35.119 -14.894 -7.893 1.00 24.23 N ATOM 535 CA ALA A 37 36.127 -14.141 -8.630 1.00 41.33 C ATOM 536 C ALA A 37 36.414 -14.784 -9.982 1.00 62.24 C ATOM 537 O ALA A 37 37.146 -14.227 -10.801 1.00 15.13 O ATOM 538 CB ALA A 37 37.406 -14.032 -7.812 1.00 20.34 C ATOM 0 H ALA A 37 35.497 -15.536 -7.197 1.00 24.23 H new ATOM 0 HA ALA A 37 35.737 -13.139 -8.810 1.00 41.33 H new ATOM 0 HB1 ALA A 37 38.150 -13.468 -8.374 1.00 20.34 H new ATOM 0 HB2 ALA A 37 37.195 -13.520 -6.873 1.00 20.34 H new ATOM 0 HB3 ALA A 37 37.790 -15.030 -7.602 1.00 20.34 H new ATOM 544 N ASP A 38 35.833 -15.956 -10.210 1.00 62.14 N ATOM 545 CA ASP A 38 36.026 -16.674 -11.464 1.00 4.12 C ATOM 546 C ASP A 38 34.766 -16.620 -12.321 1.00 0.42 C ATOM 547 O ASP A 38 34.499 -17.527 -13.109 1.00 23.13 O ATOM 548 CB ASP A 38 36.408 -18.130 -11.189 1.00 0.10 C ATOM 549 CG ASP A 38 37.381 -18.676 -12.216 1.00 65.21 C ATOM 550 OD1 ASP A 38 37.641 -17.978 -13.217 1.00 40.31 O1- ATOM 551 OD2 ASP A 38 37.882 -19.804 -12.018 1.00 5.41 O ATOM 0 H ASP A 38 35.224 -16.429 -9.543 1.00 62.14 H new ATOM 0 HA ASP A 38 36.836 -16.190 -12.010 1.00 4.12 H new ATOM 0 HB2 ASP A 38 36.852 -18.205 -10.196 1.00 0.10 H new ATOM 0 HB3 ASP A 38 35.508 -18.744 -11.183 1.00 0.10 H new ATOM 556 N ASP A 39 33.993 -15.551 -12.161 1.00 22.23 N ATOM 557 CA ASP A 39 32.761 -15.378 -12.920 1.00 13.11 C ATOM 558 C ASP A 39 31.807 -16.544 -12.681 1.00 31.25 C ATOM 559 O ASP A 39 30.944 -16.835 -13.509 1.00 44.13 O ATOM 560 CB ASP A 39 33.069 -15.252 -14.413 1.00 2.13 C ATOM 561 CG ASP A 39 33.776 -13.954 -14.751 1.00 55.52 C ATOM 562 OD1 ASP A 39 33.092 -12.915 -14.851 1.00 75.13 O1- ATOM 563 OD2 ASP A 39 35.013 -13.978 -14.916 1.00 22.43 O ATOM 0 H ASP A 39 34.199 -14.791 -11.512 1.00 22.23 H new ATOM 0 HA ASP A 39 32.279 -14.462 -12.578 1.00 13.11 H new ATOM 0 HB2 ASP A 39 33.689 -16.092 -14.725 1.00 2.13 H new ATOM 0 HB3 ASP A 39 32.140 -15.314 -14.979 1.00 2.13 H new ATOM 568 N THR A 40 31.970 -17.211 -11.542 1.00 30.11 N ATOM 569 CA THR A 40 31.125 -18.347 -11.195 1.00 25.33 C ATOM 570 C THR A 40 30.192 -18.005 -10.040 1.00 51.15 C ATOM 571 O THR A 40 30.140 -16.860 -9.589 1.00 63.30 O ATOM 572 CB THR A 40 31.969 -19.577 -10.811 1.00 62.55 C ATOM 573 OG1 THR A 40 32.694 -19.317 -9.604 1.00 73.04 O ATOM 574 CG2 THR A 40 32.941 -19.935 -11.926 1.00 33.22 C ATOM 0 H THR A 40 32.679 -16.984 -10.845 1.00 30.11 H new ATOM 0 HA THR A 40 30.533 -18.583 -12.079 1.00 25.33 H new ATOM 0 HB THR A 40 31.294 -20.419 -10.654 1.00 62.55 H new ATOM 0 HG1 THR A 40 33.226 -20.105 -9.366 1.00 73.04 H new ATOM 0 HG21 THR A 40 33.526 -20.806 -11.633 1.00 33.22 H new ATOM 0 HG22 THR A 40 32.384 -20.161 -12.835 1.00 33.22 H new ATOM 0 HG23 THR A 40 33.610 -19.094 -12.110 1.00 33.22 H new ATOM 582 N TRP A 41 29.455 -19.003 -9.565 1.00 51.02 N ATOM 583 CA TRP A 41 28.523 -18.807 -8.461 1.00 63.44 C ATOM 584 C TRP A 41 28.856 -19.733 -7.296 1.00 42.43 C ATOM 585 O TRP A 41 28.741 -20.953 -7.411 1.00 72.23 O ATOM 586 CB TRP A 41 27.087 -19.051 -8.928 1.00 61.33 C ATOM 587 CG TRP A 41 26.632 -18.083 -9.979 1.00 74.13 C ATOM 588 CD1 TRP A 41 26.391 -18.355 -11.294 1.00 3.01 C ATOM 589 CD2 TRP A 41 26.365 -16.688 -9.800 1.00 44.13 C ATOM 590 NE1 TRP A 41 25.990 -17.214 -11.945 1.00 54.41 N ATOM 591 CE2 TRP A 41 25.965 -16.177 -11.050 1.00 1.20 C ATOM 592 CE3 TRP A 41 26.423 -15.821 -8.706 1.00 51.42 C ATOM 593 CZ2 TRP A 41 25.628 -14.839 -11.234 1.00 72.03 C ATOM 594 CZ3 TRP A 41 26.088 -14.493 -8.890 1.00 23.02 C ATOM 595 CH2 TRP A 41 25.694 -14.012 -10.145 1.00 4.00 C ATOM 0 H TRP A 41 29.485 -19.956 -9.927 1.00 51.02 H new ATOM 0 HA TRP A 41 28.616 -17.776 -8.119 1.00 63.44 H new ATOM 0 HB2 TRP A 41 27.007 -20.065 -9.319 1.00 61.33 H new ATOM 0 HB3 TRP A 41 26.418 -18.986 -8.070 1.00 61.33 H new ATOM 0 HD1 TRP A 41 26.500 -19.325 -11.755 1.00 3.01 H new ATOM 0 HE1 TRP A 41 25.750 -17.149 -12.934 1.00 54.41 H new ATOM 0 HE3 TRP A 41 26.724 -16.182 -7.734 1.00 51.42 H new ATOM 0 HZ2 TRP A 41 25.325 -14.467 -12.201 1.00 72.03 H new ATOM 0 HZ3 TRP A 41 26.131 -13.814 -8.051 1.00 23.02 H new ATOM 0 HH2 TRP A 41 25.437 -12.969 -10.256 1.00 4.00 H new ATOM 606 N GLU A 42 29.268 -19.146 -6.178 1.00 14.31 N ATOM 607 CA GLU A 42 29.618 -19.920 -4.992 1.00 22.31 C ATOM 608 C GLU A 42 28.399 -20.124 -4.096 1.00 30.22 C ATOM 609 O GLU A 42 27.457 -19.331 -4.098 1.00 23.11 O ATOM 610 CB GLU A 42 30.731 -19.223 -4.209 1.00 42.11 C ATOM 611 CG GLU A 42 32.129 -19.605 -4.666 1.00 72.32 C ATOM 612 CD GLU A 42 33.135 -19.601 -3.531 1.00 0.20 C ATOM 613 OE1 GLU A 42 32.894 -18.897 -2.528 1.00 22.10 O1- ATOM 614 OE2 GLU A 42 34.162 -20.302 -3.645 1.00 22.45 O ATOM 0 H GLU A 42 29.368 -18.137 -6.068 1.00 14.31 H new ATOM 0 HA GLU A 42 29.974 -20.897 -5.320 1.00 22.31 H new ATOM 0 HB2 GLU A 42 30.609 -18.144 -4.304 1.00 42.11 H new ATOM 0 HB3 GLU A 42 30.625 -19.464 -3.151 1.00 42.11 H new ATOM 0 HG2 GLU A 42 32.101 -20.596 -5.118 1.00 72.32 H new ATOM 0 HG3 GLU A 42 32.457 -18.911 -5.440 1.00 72.32 H new ATOM 621 N PRO A 43 28.418 -21.211 -3.311 1.00 55.32 N ATOM 622 CA PRO A 43 27.323 -21.544 -2.395 1.00 0.45 C ATOM 623 C PRO A 43 27.236 -20.577 -1.219 1.00 61.23 C ATOM 624 O PRO A 43 28.174 -20.457 -0.430 1.00 55.41 O ATOM 625 CB PRO A 43 27.686 -22.948 -1.906 1.00 61.34 C ATOM 626 CG PRO A 43 29.166 -23.032 -2.053 1.00 40.42 C ATOM 627 CD PRO A 43 29.508 -22.198 -3.257 1.00 75.22 C ATOM 0 HA PRO A 43 26.350 -21.485 -2.884 1.00 0.45 H new ATOM 0 HB2 PRO A 43 27.382 -23.097 -0.870 1.00 61.34 H new ATOM 0 HB3 PRO A 43 27.186 -23.715 -2.498 1.00 61.34 H new ATOM 0 HG2 PRO A 43 29.669 -22.656 -1.162 1.00 40.42 H new ATOM 0 HG3 PRO A 43 29.487 -24.065 -2.189 1.00 40.42 H new ATOM 0 HD2 PRO A 43 30.480 -21.717 -3.149 1.00 75.22 H new ATOM 0 HD3 PRO A 43 29.549 -22.801 -4.164 1.00 75.22 H new ATOM 635 N PHE A 44 26.106 -19.889 -1.107 1.00 1.12 N ATOM 636 CA PHE A 44 25.897 -18.931 -0.028 1.00 62.35 C ATOM 637 C PHE A 44 24.890 -19.465 0.987 1.00 72.22 C ATOM 638 O PHE A 44 25.172 -19.528 2.183 1.00 41.04 O ATOM 639 CB PHE A 44 25.410 -17.593 -0.590 1.00 22.21 C ATOM 640 CG PHE A 44 25.316 -16.507 0.443 1.00 51.13 C ATOM 641 CD1 PHE A 44 26.461 -15.963 1.002 1.00 54.50 C ATOM 642 CD2 PHE A 44 24.082 -16.030 0.854 1.00 44.44 C ATOM 643 CE1 PHE A 44 26.378 -14.964 1.952 1.00 13.33 C ATOM 644 CE2 PHE A 44 23.993 -15.030 1.804 1.00 23.30 C ATOM 645 CZ PHE A 44 25.142 -14.497 2.355 1.00 2.44 C ATOM 0 H PHE A 44 25.320 -19.977 -1.751 1.00 1.12 H new ATOM 0 HA PHE A 44 26.851 -18.779 0.477 1.00 62.35 H new ATOM 0 HB2 PHE A 44 26.087 -17.273 -1.382 1.00 22.21 H new ATOM 0 HB3 PHE A 44 24.430 -17.735 -1.047 1.00 22.21 H new ATOM 0 HD1 PHE A 44 27.430 -16.324 0.691 1.00 54.50 H new ATOM 0 HD2 PHE A 44 23.180 -16.444 0.428 1.00 44.44 H new ATOM 0 HE1 PHE A 44 27.279 -14.548 2.379 1.00 13.33 H new ATOM 0 HE2 PHE A 44 23.025 -14.665 2.115 1.00 23.30 H new ATOM 0 HZ PHE A 44 25.074 -13.717 3.099 1.00 2.44 H new ATOM 655 N ALA A 45 23.715 -19.849 0.499 1.00 74.54 N ATOM 656 CA ALA A 45 22.666 -20.380 1.362 1.00 71.13 C ATOM 657 C ALA A 45 21.650 -21.185 0.559 1.00 63.11 C ATOM 658 O ALA A 45 21.733 -21.260 -0.667 1.00 0.42 O ATOM 659 CB ALA A 45 21.976 -19.250 2.110 1.00 14.12 C ATOM 0 H ALA A 45 23.465 -19.802 -0.489 1.00 74.54 H new ATOM 0 HA ALA A 45 23.129 -21.050 2.086 1.00 71.13 H new ATOM 0 HB1 ALA A 45 21.195 -19.661 2.750 1.00 14.12 H new ATOM 0 HB2 ALA A 45 22.706 -18.720 2.722 1.00 14.12 H new ATOM 0 HB3 ALA A 45 21.532 -18.558 1.395 1.00 14.12 H new ATOM 665 N SER A 46 20.693 -21.785 1.259 1.00 60.52 N ATOM 666 CA SER A 46 19.662 -22.589 0.610 1.00 52.32 C ATOM 667 C SER A 46 18.578 -22.987 1.607 1.00 40.50 C ATOM 668 O SER A 46 18.836 -23.119 2.802 1.00 65.02 O ATOM 669 CB SER A 46 20.280 -23.840 -0.015 1.00 70.12 C ATOM 670 OG SER A 46 19.361 -24.918 -0.015 1.00 13.53 O ATOM 0 H SER A 46 20.609 -21.730 2.274 1.00 60.52 H new ATOM 0 HA SER A 46 19.206 -21.987 -0.176 1.00 52.32 H new ATOM 0 HB2 SER A 46 20.591 -23.624 -1.037 1.00 70.12 H new ATOM 0 HB3 SER A 46 21.176 -24.122 0.538 1.00 70.12 H new ATOM 0 HG SER A 46 19.780 -25.705 -0.421 1.00 13.53 H new ATOM 676 N GLY A 47 17.362 -23.178 1.103 1.00 11.14 N ATOM 677 CA GLY A 47 16.255 -23.560 1.961 1.00 1.53 C ATOM 678 C GLY A 47 14.952 -23.694 1.201 1.00 63.12 C ATOM 679 O GLY A 47 14.910 -23.499 -0.014 1.00 62.23 O ATOM 0 H GLY A 47 17.124 -23.075 0.117 1.00 11.14 H new ATOM 0 HA2 GLY A 47 16.487 -24.507 2.448 1.00 1.53 H new ATOM 0 HA3 GLY A 47 16.137 -22.817 2.749 1.00 1.53 H new ATOM 683 N LYS A 48 13.884 -24.030 1.916 1.00 51.41 N ATOM 684 CA LYS A 48 12.571 -24.191 1.302 1.00 3.33 C ATOM 685 C LYS A 48 11.554 -23.246 1.934 1.00 14.54 C ATOM 686 O LYS A 48 11.759 -22.746 3.040 1.00 53.10 O ATOM 687 CB LYS A 48 12.094 -25.638 1.442 1.00 54.50 C ATOM 688 CG LYS A 48 12.985 -26.644 0.733 1.00 35.21 C ATOM 689 CD LYS A 48 12.568 -28.073 1.041 1.00 13.00 C ATOM 690 CE LYS A 48 13.582 -29.075 0.511 1.00 55.05 C ATOM 691 NZ LYS A 48 13.207 -30.475 0.854 1.00 60.34 N1+ ATOM 0 H LYS A 48 13.902 -24.196 2.922 1.00 51.41 H new ATOM 0 HA LYS A 48 12.660 -23.945 0.244 1.00 3.33 H new ATOM 0 HB2 LYS A 48 12.042 -25.894 2.500 1.00 54.50 H new ATOM 0 HB3 LYS A 48 11.082 -25.718 1.045 1.00 54.50 H new ATOM 0 HG2 LYS A 48 12.941 -26.475 -0.343 1.00 35.21 H new ATOM 0 HG3 LYS A 48 14.021 -26.492 1.038 1.00 35.21 H new ATOM 0 HD2 LYS A 48 12.460 -28.198 2.118 1.00 13.00 H new ATOM 0 HD3 LYS A 48 11.592 -28.272 0.598 1.00 13.00 H new ATOM 0 HE2 LYS A 48 13.661 -28.975 -0.572 1.00 55.05 H new ATOM 0 HE3 LYS A 48 14.565 -28.850 0.924 1.00 55.05 H new ATOM 0 HZ1 LYS A 48 13.922 -31.129 0.476 1.00 60.34 H new ATOM 0 HZ2 LYS A 48 13.156 -30.578 1.888 1.00 60.34 H new ATOM 0 HZ3 LYS A 48 12.280 -30.698 0.438 1.00 60.34 H new ATOM 705 N THR A 49 10.455 -23.006 1.225 1.00 35.43 N ATOM 706 CA THR A 49 9.407 -22.121 1.718 1.00 51.31 C ATOM 707 C THR A 49 8.367 -22.895 2.520 1.00 3.20 C ATOM 708 O THR A 49 8.380 -24.126 2.549 1.00 55.41 O ATOM 709 CB THR A 49 8.703 -21.386 0.562 1.00 40.10 C ATOM 710 OG1 THR A 49 7.980 -22.321 -0.246 1.00 34.44 O ATOM 711 CG2 THR A 49 9.712 -20.639 -0.299 1.00 72.54 C ATOM 0 H THR A 49 10.268 -23.412 0.308 1.00 35.43 H new ATOM 0 HA THR A 49 9.890 -21.388 2.365 1.00 51.31 H new ATOM 0 HB THR A 49 8.008 -20.664 0.991 1.00 40.10 H new ATOM 0 HG1 THR A 49 7.070 -21.989 -0.396 1.00 34.44 H new ATOM 0 HG21 THR A 49 9.191 -20.128 -1.109 1.00 72.54 H new ATOM 0 HG22 THR A 49 10.240 -19.907 0.312 1.00 72.54 H new ATOM 0 HG23 THR A 49 10.428 -21.347 -0.718 1.00 72.54 H new ATOM 719 N SER A 50 7.466 -22.166 3.171 1.00 13.14 N ATOM 720 CA SER A 50 6.420 -22.784 3.977 1.00 23.01 C ATOM 721 C SER A 50 5.037 -22.360 3.492 1.00 61.40 C ATOM 722 O SER A 50 4.894 -21.805 2.403 1.00 4.13 O ATOM 723 CB SER A 50 6.593 -22.409 5.451 1.00 14.25 C ATOM 724 OG SER A 50 6.339 -21.030 5.658 1.00 22.21 O ATOM 0 H SER A 50 7.440 -21.146 3.156 1.00 13.14 H new ATOM 0 HA SER A 50 6.507 -23.865 3.872 1.00 23.01 H new ATOM 0 HB2 SER A 50 5.914 -23.003 6.063 1.00 14.25 H new ATOM 0 HB3 SER A 50 7.606 -22.648 5.774 1.00 14.25 H new ATOM 0 HG SER A 50 6.454 -20.815 6.607 1.00 22.21 H new ATOM 730 N GLU A 51 4.022 -22.625 4.308 1.00 40.23 N ATOM 731 CA GLU A 51 2.651 -22.271 3.962 1.00 60.32 C ATOM 732 C GLU A 51 2.517 -20.769 3.735 1.00 42.55 C ATOM 733 O GLU A 51 1.560 -20.306 3.115 1.00 73.13 O ATOM 734 CB GLU A 51 1.691 -22.720 5.065 1.00 71.34 C ATOM 735 CG GLU A 51 2.174 -22.384 6.467 1.00 5.20 C ATOM 736 CD GLU A 51 1.132 -21.643 7.282 1.00 50.43 C ATOM 737 OE1 GLU A 51 0.028 -22.195 7.474 1.00 12.23 O ATOM 738 OE2 GLU A 51 1.420 -20.512 7.727 1.00 51.42 O1- ATOM 0 H GLU A 51 4.123 -23.084 5.213 1.00 40.23 H new ATOM 0 HA GLU A 51 2.393 -22.784 3.036 1.00 60.32 H new ATOM 0 HB2 GLU A 51 0.720 -22.252 4.903 1.00 71.34 H new ATOM 0 HB3 GLU A 51 1.542 -23.797 4.989 1.00 71.34 H new ATOM 0 HG2 GLU A 51 2.446 -23.304 6.983 1.00 5.20 H new ATOM 0 HG3 GLU A 51 3.077 -21.777 6.400 1.00 5.20 H new ATOM 745 N SER A 52 3.484 -20.011 4.244 1.00 0.31 N ATOM 746 CA SER A 52 3.473 -18.560 4.102 1.00 24.21 C ATOM 747 C SER A 52 4.212 -18.132 2.838 1.00 24.50 C ATOM 748 O SER A 52 4.043 -17.014 2.354 1.00 12.24 O ATOM 749 CB SER A 52 4.110 -17.901 5.327 1.00 63.01 C ATOM 750 OG SER A 52 3.200 -17.855 6.413 1.00 15.33 O ATOM 0 H SER A 52 4.285 -20.378 4.758 1.00 0.31 H new ATOM 0 HA SER A 52 2.435 -18.236 4.023 1.00 24.21 H new ATOM 0 HB2 SER A 52 5.002 -18.455 5.619 1.00 63.01 H new ATOM 0 HB3 SER A 52 4.431 -16.890 5.074 1.00 63.01 H new ATOM 0 HG SER A 52 3.632 -17.431 7.184 1.00 15.33 H new ATOM 756 N GLY A 53 5.036 -19.033 2.308 1.00 45.14 N ATOM 757 CA GLY A 53 5.789 -18.730 1.105 1.00 60.22 C ATOM 758 C GLY A 53 7.034 -17.913 1.391 1.00 74.10 C ATOM 759 O GLY A 53 7.800 -17.600 0.481 1.00 12.51 O ATOM 0 H GLY A 53 5.195 -19.965 2.690 1.00 45.14 H new ATOM 0 HA2 GLY A 53 6.074 -19.661 0.614 1.00 60.22 H new ATOM 0 HA3 GLY A 53 5.152 -18.184 0.409 1.00 60.22 H new ATOM 763 N GLU A 54 7.235 -17.567 2.659 1.00 43.33 N ATOM 764 CA GLU A 54 8.394 -16.779 3.060 1.00 51.21 C ATOM 765 C GLU A 54 9.523 -17.683 3.548 1.00 32.34 C ATOM 766 O GLU A 54 9.288 -18.660 4.259 1.00 45.34 O ATOM 767 CB GLU A 54 8.009 -15.788 4.160 1.00 52.21 C ATOM 768 CG GLU A 54 7.412 -16.447 5.392 1.00 3.13 C ATOM 769 CD GLU A 54 7.006 -15.441 6.453 1.00 12.04 C ATOM 770 OE1 GLU A 54 7.854 -14.609 6.836 1.00 73.43 O1- ATOM 771 OE2 GLU A 54 5.841 -15.488 6.898 1.00 3.21 O ATOM 0 H GLU A 54 6.611 -17.820 3.425 1.00 43.33 H new ATOM 0 HA GLU A 54 8.744 -16.226 2.189 1.00 51.21 H new ATOM 0 HB2 GLU A 54 8.893 -15.222 4.453 1.00 52.21 H new ATOM 0 HB3 GLU A 54 7.292 -15.072 3.758 1.00 52.21 H new ATOM 0 HG2 GLU A 54 6.541 -17.033 5.100 1.00 3.13 H new ATOM 0 HG3 GLU A 54 8.137 -17.143 5.815 1.00 3.13 H new ATOM 778 N LEU A 55 10.749 -17.348 3.160 1.00 2.41 N ATOM 779 CA LEU A 55 11.917 -18.129 3.556 1.00 22.44 C ATOM 780 C LEU A 55 13.028 -17.221 4.074 1.00 75.42 C ATOM 781 O LEU A 55 13.699 -16.540 3.298 1.00 42.00 O ATOM 782 CB LEU A 55 12.426 -18.956 2.376 1.00 1.43 C ATOM 783 CG LEU A 55 13.713 -19.746 2.616 1.00 62.34 C ATOM 784 CD1 LEU A 55 13.588 -20.603 3.866 1.00 65.40 C ATOM 785 CD2 LEU A 55 14.042 -20.610 1.407 1.00 12.22 C ATOM 0 H LEU A 55 10.960 -16.542 2.572 1.00 2.41 H new ATOM 0 HA LEU A 55 11.619 -18.802 4.360 1.00 22.44 H new ATOM 0 HB2 LEU A 55 11.643 -19.656 2.084 1.00 1.43 H new ATOM 0 HB3 LEU A 55 12.587 -18.286 1.531 1.00 1.43 H new ATOM 0 HG LEU A 55 14.528 -19.038 2.765 1.00 62.34 H new ATOM 0 HD11 LEU A 55 14.513 -21.158 4.021 1.00 65.40 H new ATOM 0 HD12 LEU A 55 13.400 -19.963 4.728 1.00 65.40 H new ATOM 0 HD13 LEU A 55 12.761 -21.303 3.746 1.00 65.40 H new ATOM 0 HD21 LEU A 55 14.961 -21.165 1.596 1.00 12.22 H new ATOM 0 HD22 LEU A 55 13.226 -21.310 1.227 1.00 12.22 H new ATOM 0 HD23 LEU A 55 14.175 -19.975 0.531 1.00 12.22 H new ATOM 797 N HIS A 56 13.218 -17.218 5.390 1.00 62.22 N ATOM 798 CA HIS A 56 14.251 -16.396 6.010 1.00 52.21 C ATOM 799 C HIS A 56 15.152 -17.241 6.905 1.00 65.14 C ATOM 800 O HIS A 56 14.890 -18.422 7.130 1.00 61.43 O ATOM 801 CB HIS A 56 13.614 -15.270 6.826 1.00 44.24 C ATOM 802 CG HIS A 56 12.491 -15.728 7.706 1.00 31.34 C ATOM 803 ND1 HIS A 56 12.663 -16.063 9.032 1.00 24.42 N ATOM 804 CD2 HIS A 56 11.176 -15.905 7.441 1.00 65.14 C ATOM 805 CE1 HIS A 56 11.501 -16.428 9.546 1.00 13.10 C ATOM 806 NE2 HIS A 56 10.583 -16.339 8.600 1.00 75.35 N ATOM 0 H HIS A 56 12.671 -17.775 6.047 1.00 62.22 H new ATOM 0 HA HIS A 56 14.860 -15.961 5.217 1.00 52.21 H new ATOM 0 HB2 HIS A 56 14.380 -14.802 7.443 1.00 44.24 H new ATOM 0 HB3 HIS A 56 13.242 -14.505 6.145 1.00 44.24 H new ATOM 0 HD2 HIS A 56 10.685 -15.736 6.494 1.00 65.14 H new ATOM 0 HE1 HIS A 56 11.331 -16.745 10.564 1.00 13.10 H new ATOM 0 HE2 HIS A 56 9.593 -16.558 8.713 1.00 75.35 H new ATOM 814 N GLY A 57 16.218 -16.628 7.412 1.00 54.50 N ATOM 815 CA GLY A 57 17.142 -17.339 8.276 1.00 51.11 C ATOM 816 C GLY A 57 18.178 -18.123 7.495 1.00 44.14 C ATOM 817 O GLY A 57 18.739 -19.098 7.997 1.00 3.50 O ATOM 0 H GLY A 57 16.458 -15.652 7.240 1.00 54.50 H new ATOM 0 HA2 GLY A 57 17.646 -16.626 8.929 1.00 51.11 H new ATOM 0 HA3 GLY A 57 16.584 -18.020 8.918 1.00 51.11 H new ATOM 821 N LEU A 58 18.434 -17.699 6.262 1.00 1.11 N ATOM 822 CA LEU A 58 19.408 -18.368 5.409 1.00 53.45 C ATOM 823 C LEU A 58 20.830 -18.105 5.895 1.00 62.15 C ATOM 824 O LEU A 58 21.577 -19.037 6.197 1.00 35.35 O ATOM 825 CB LEU A 58 19.258 -17.897 3.961 1.00 64.24 C ATOM 826 CG LEU A 58 18.316 -18.720 3.082 1.00 4.24 C ATOM 827 CD1 LEU A 58 18.215 -18.111 1.692 1.00 55.53 C ATOM 828 CD2 LEU A 58 18.789 -20.164 3.000 1.00 62.04 C ATOM 0 H LEU A 58 17.980 -16.894 5.831 1.00 1.11 H new ATOM 0 HA LEU A 58 19.219 -19.440 5.458 1.00 53.45 H new ATOM 0 HB2 LEU A 58 18.906 -16.866 3.970 1.00 64.24 H new ATOM 0 HB3 LEU A 58 20.244 -17.893 3.497 1.00 64.24 H new ATOM 0 HG LEU A 58 17.324 -18.708 3.535 1.00 4.24 H new ATOM 0 HD11 LEU A 58 17.540 -18.710 1.080 1.00 55.53 H new ATOM 0 HD12 LEU A 58 17.830 -17.094 1.767 1.00 55.53 H new ATOM 0 HD13 LEU A 58 19.202 -18.092 1.231 1.00 55.53 H new ATOM 0 HD21 LEU A 58 18.107 -20.735 2.370 1.00 62.04 H new ATOM 0 HD22 LEU A 58 19.791 -20.195 2.571 1.00 62.04 H new ATOM 0 HD23 LEU A 58 18.809 -20.598 4.000 1.00 62.04 H new ATOM 840 N THR A 59 21.198 -16.830 5.973 1.00 11.10 N ATOM 841 CA THR A 59 22.528 -16.444 6.424 1.00 32.02 C ATOM 842 C THR A 59 22.456 -15.324 7.456 1.00 65.34 C ATOM 843 O THR A 59 21.370 -14.880 7.831 1.00 12.31 O ATOM 844 CB THR A 59 23.411 -15.986 5.247 1.00 50.44 C ATOM 845 OG1 THR A 59 22.671 -15.105 4.395 1.00 55.13 O ATOM 846 CG2 THR A 59 23.903 -17.180 4.444 1.00 44.44 C ATOM 0 H THR A 59 20.592 -16.047 5.729 1.00 11.10 H new ATOM 0 HA THR A 59 22.974 -17.327 6.881 1.00 32.02 H new ATOM 0 HB THR A 59 24.275 -15.459 5.652 1.00 50.44 H new ATOM 0 HG1 THR A 59 23.281 -14.673 3.762 1.00 55.13 H new ATOM 0 HG21 THR A 59 24.524 -16.832 3.619 1.00 44.44 H new ATOM 0 HG22 THR A 59 24.489 -17.835 5.088 1.00 44.44 H new ATOM 0 HG23 THR A 59 23.049 -17.730 4.049 1.00 44.44 H new ATOM 854 N THR A 60 23.619 -14.869 7.911 1.00 54.44 N ATOM 855 CA THR A 60 23.687 -13.800 8.899 1.00 13.13 C ATOM 856 C THR A 60 24.263 -12.526 8.292 1.00 21.15 C ATOM 857 O THR A 60 24.782 -12.539 7.177 1.00 14.52 O ATOM 858 CB THR A 60 24.544 -14.210 10.112 1.00 25.41 C ATOM 859 OG1 THR A 60 25.828 -14.668 9.673 1.00 64.13 O ATOM 860 CG2 THR A 60 23.857 -15.305 10.915 1.00 52.01 C ATOM 0 H THR A 60 24.527 -15.224 7.611 1.00 54.44 H new ATOM 0 HA THR A 60 22.666 -13.612 9.231 1.00 13.13 H new ATOM 0 HB THR A 60 24.670 -13.336 10.752 1.00 25.41 H new ATOM 0 HG1 THR A 60 26.367 -14.925 10.450 1.00 64.13 H new ATOM 0 HG21 THR A 60 24.481 -15.578 11.766 1.00 52.01 H new ATOM 0 HG22 THR A 60 22.893 -14.943 11.273 1.00 52.01 H new ATOM 0 HG23 THR A 60 23.704 -16.179 10.282 1.00 52.01 H new ATOM 868 N GLU A 61 24.168 -11.427 9.034 1.00 22.20 N ATOM 869 CA GLU A 61 24.679 -10.144 8.567 1.00 34.44 C ATOM 870 C GLU A 61 26.206 -10.130 8.581 1.00 75.15 C ATOM 871 O GLU A 61 26.836 -9.408 7.810 1.00 20.20 O ATOM 872 CB GLU A 61 24.140 -9.007 9.438 1.00 63.34 C ATOM 873 CG GLU A 61 23.397 -7.939 8.652 1.00 15.31 C ATOM 874 CD GLU A 61 22.194 -7.396 9.399 1.00 74.31 C ATOM 875 OE1 GLU A 61 22.376 -6.496 10.245 1.00 53.10 O1- ATOM 876 OE2 GLU A 61 21.070 -7.874 9.136 1.00 31.33 O ATOM 0 H GLU A 61 23.742 -11.400 9.960 1.00 22.20 H new ATOM 0 HA GLU A 61 24.340 -9.998 7.541 1.00 34.44 H new ATOM 0 HB2 GLU A 61 23.471 -9.423 10.191 1.00 63.34 H new ATOM 0 HB3 GLU A 61 24.970 -8.543 9.970 1.00 63.34 H new ATOM 0 HG2 GLU A 61 24.079 -7.120 8.425 1.00 15.31 H new ATOM 0 HG3 GLU A 61 23.071 -8.356 7.699 1.00 15.31 H new ATOM 883 N GLU A 62 26.791 -10.931 9.465 1.00 42.53 N ATOM 884 CA GLU A 62 28.242 -11.010 9.580 1.00 43.33 C ATOM 885 C GLU A 62 28.835 -11.844 8.447 1.00 65.32 C ATOM 886 O GLU A 62 29.971 -11.624 8.030 1.00 62.24 O ATOM 887 CB GLU A 62 28.637 -11.612 10.931 1.00 54.13 C ATOM 888 CG GLU A 62 27.853 -11.046 12.102 1.00 32.32 C ATOM 889 CD GLU A 62 28.747 -10.615 13.249 1.00 63.21 C ATOM 890 OE1 GLU A 62 29.106 -11.480 14.076 1.00 22.34 O1- ATOM 891 OE2 GLU A 62 29.088 -9.416 13.320 1.00 12.42 O ATOM 0 H GLU A 62 26.283 -11.534 10.112 1.00 42.53 H new ATOM 0 HA GLU A 62 28.641 -9.998 9.510 1.00 43.33 H new ATOM 0 HB2 GLU A 62 28.491 -12.692 10.895 1.00 54.13 H new ATOM 0 HB3 GLU A 62 29.700 -11.440 11.099 1.00 54.13 H new ATOM 0 HG2 GLU A 62 27.266 -10.192 11.763 1.00 32.32 H new ATOM 0 HG3 GLU A 62 27.147 -11.796 12.458 1.00 32.32 H new ATOM 898 N GLU A 63 28.054 -12.800 7.954 1.00 72.05 N ATOM 899 CA GLU A 63 28.501 -13.667 6.871 1.00 4.24 C ATOM 900 C GLU A 63 28.151 -13.066 5.512 1.00 63.22 C ATOM 901 O GLU A 63 28.852 -13.285 4.525 1.00 24.32 O ATOM 902 CB GLU A 63 27.871 -15.055 7.005 1.00 2.20 C ATOM 903 CG GLU A 63 28.174 -15.977 5.836 1.00 63.03 C ATOM 904 CD GLU A 63 29.643 -16.341 5.744 1.00 12.25 C ATOM 905 OE1 GLU A 63 30.355 -16.191 6.760 1.00 44.51 O1- ATOM 906 OE2 GLU A 63 30.083 -16.773 4.659 1.00 13.21 O ATOM 0 H GLU A 63 27.110 -12.993 8.287 1.00 72.05 H new ATOM 0 HA GLU A 63 29.585 -13.760 6.939 1.00 4.24 H new ATOM 0 HB2 GLU A 63 28.227 -15.519 7.925 1.00 2.20 H new ATOM 0 HB3 GLU A 63 26.791 -14.947 7.101 1.00 2.20 H new ATOM 0 HG2 GLU A 63 27.584 -16.888 5.934 1.00 63.03 H new ATOM 0 HG3 GLU A 63 27.864 -15.495 4.909 1.00 63.03 H new ATOM 913 N PHE A 64 27.061 -12.308 5.472 1.00 65.55 N ATOM 914 CA PHE A 64 26.615 -11.675 4.236 1.00 2.44 C ATOM 915 C PHE A 64 27.596 -10.594 3.793 1.00 64.41 C ATOM 916 O PHE A 64 27.849 -9.634 4.522 1.00 23.03 O ATOM 917 CB PHE A 64 25.222 -11.071 4.420 1.00 11.52 C ATOM 918 CG PHE A 64 24.590 -10.617 3.136 1.00 62.32 C ATOM 919 CD1 PHE A 64 24.966 -9.421 2.548 1.00 2.21 C ATOM 920 CD2 PHE A 64 23.618 -11.387 2.516 1.00 23.14 C ATOM 921 CE1 PHE A 64 24.387 -9.000 1.365 1.00 22.10 C ATOM 922 CE2 PHE A 64 23.035 -10.972 1.334 1.00 23.23 C ATOM 923 CZ PHE A 64 23.420 -9.776 0.758 1.00 20.10 C ATOM 0 H PHE A 64 26.470 -12.117 6.281 1.00 65.55 H new ATOM 0 HA PHE A 64 26.571 -12.441 3.461 1.00 2.44 H new ATOM 0 HB2 PHE A 64 24.574 -11.809 4.893 1.00 11.52 H new ATOM 0 HB3 PHE A 64 25.290 -10.223 5.102 1.00 11.52 H new ATOM 0 HD1 PHE A 64 25.721 -8.809 3.019 1.00 2.21 H new ATOM 0 HD2 PHE A 64 23.313 -12.322 2.962 1.00 23.14 H new ATOM 0 HE1 PHE A 64 24.691 -8.066 0.917 1.00 22.10 H new ATOM 0 HE2 PHE A 64 22.279 -11.581 0.861 1.00 23.23 H new ATOM 0 HZ PHE A 64 22.965 -9.449 -0.165 1.00 20.10 H new ATOM 933 N VAL A 65 28.146 -10.757 2.594 1.00 21.05 N ATOM 934 CA VAL A 65 29.099 -9.796 2.053 1.00 15.40 C ATOM 935 C VAL A 65 28.505 -9.039 0.871 1.00 44.42 C ATOM 936 O VAL A 65 27.361 -9.275 0.482 1.00 15.41 O ATOM 937 CB VAL A 65 30.401 -10.487 1.605 1.00 4.22 C ATOM 938 CG1 VAL A 65 31.150 -11.045 2.805 1.00 44.35 C ATOM 939 CG2 VAL A 65 30.099 -11.586 0.596 1.00 3.14 C ATOM 0 H VAL A 65 27.948 -11.546 1.979 1.00 21.05 H new ATOM 0 HA VAL A 65 29.327 -9.092 2.853 1.00 15.40 H new ATOM 0 HB VAL A 65 31.038 -9.746 1.122 1.00 4.22 H new ATOM 0 HG11 VAL A 65 32.067 -11.529 2.469 1.00 44.35 H new ATOM 0 HG12 VAL A 65 31.398 -10.233 3.489 1.00 44.35 H new ATOM 0 HG13 VAL A 65 30.523 -11.773 3.319 1.00 44.35 H new ATOM 0 HG21 VAL A 65 31.029 -12.064 0.290 1.00 3.14 H new ATOM 0 HG22 VAL A 65 29.443 -12.328 1.051 1.00 3.14 H new ATOM 0 HG23 VAL A 65 29.609 -11.154 -0.276 1.00 3.14 H new ATOM 949 N GLU A 66 29.290 -8.129 0.302 1.00 71.12 N ATOM 950 CA GLU A 66 28.841 -7.337 -0.836 1.00 72.12 C ATOM 951 C GLU A 66 29.166 -8.040 -2.151 1.00 23.14 C ATOM 952 O GLU A 66 30.005 -8.939 -2.195 1.00 1.30 O ATOM 953 CB GLU A 66 29.490 -5.953 -0.811 1.00 3.54 C ATOM 954 CG GLU A 66 31.009 -5.991 -0.871 1.00 73.15 C ATOM 955 CD GLU A 66 31.618 -4.627 -1.127 1.00 11.41 C ATOM 956 OE1 GLU A 66 31.368 -4.062 -2.213 1.00 4.44 O1- ATOM 957 OE2 GLU A 66 32.343 -4.124 -0.244 1.00 63.51 O ATOM 0 H GLU A 66 30.240 -7.923 0.611 1.00 71.12 H new ATOM 0 HA GLU A 66 27.759 -7.224 -0.762 1.00 72.12 H new ATOM 0 HB2 GLU A 66 29.116 -5.370 -1.653 1.00 3.54 H new ATOM 0 HB3 GLU A 66 29.184 -5.434 0.097 1.00 3.54 H new ATOM 0 HG2 GLU A 66 31.396 -6.387 0.068 1.00 73.15 H new ATOM 0 HG3 GLU A 66 31.320 -6.677 -1.659 1.00 73.15 H new ATOM 964 N GLY A 67 28.495 -7.624 -3.221 1.00 24.52 N ATOM 965 CA GLY A 67 28.726 -8.225 -4.521 1.00 43.11 C ATOM 966 C GLY A 67 27.442 -8.680 -5.186 1.00 53.01 C ATOM 967 O GLY A 67 26.354 -8.244 -4.812 1.00 30.33 O ATOM 0 H GLY A 67 27.796 -6.882 -3.210 1.00 24.52 H new ATOM 0 HA2 GLY A 67 29.230 -7.505 -5.166 1.00 43.11 H new ATOM 0 HA3 GLY A 67 29.396 -9.078 -4.410 1.00 43.11 H new ATOM 971 N ILE A 68 27.569 -9.558 -6.175 1.00 63.14 N ATOM 972 CA ILE A 68 26.409 -10.072 -6.894 1.00 74.20 C ATOM 973 C ILE A 68 25.996 -11.441 -6.364 1.00 31.45 C ATOM 974 O ILE A 68 26.836 -12.225 -5.919 1.00 12.54 O ATOM 975 CB ILE A 68 26.685 -10.180 -8.405 1.00 73.34 C ATOM 976 CG1 ILE A 68 27.321 -8.888 -8.924 1.00 50.12 C ATOM 977 CG2 ILE A 68 25.399 -10.485 -9.158 1.00 20.00 C ATOM 978 CD1 ILE A 68 28.821 -8.975 -9.086 1.00 72.12 C ATOM 0 H ILE A 68 28.463 -9.928 -6.497 1.00 63.14 H new ATOM 0 HA ILE A 68 25.598 -9.363 -6.732 1.00 74.20 H new ATOM 0 HB ILE A 68 27.384 -10.999 -8.574 1.00 73.34 H new ATOM 0 HG12 ILE A 68 26.874 -8.634 -9.885 1.00 50.12 H new ATOM 0 HG13 ILE A 68 27.085 -8.075 -8.237 1.00 50.12 H new ATOM 0 HG21 ILE A 68 25.611 -10.558 -10.225 1.00 20.00 H new ATOM 0 HG22 ILE A 68 24.986 -11.430 -8.804 1.00 20.00 H new ATOM 0 HG23 ILE A 68 24.678 -9.686 -8.985 1.00 20.00 H new ATOM 0 HD11 ILE A 68 29.203 -8.024 -9.457 1.00 72.12 H new ATOM 0 HD12 ILE A 68 29.279 -9.199 -8.122 1.00 72.12 H new ATOM 0 HD13 ILE A 68 29.065 -9.766 -9.796 1.00 72.12 H new ATOM 990 N TYR A 69 24.699 -11.722 -6.416 1.00 70.53 N ATOM 991 CA TYR A 69 24.174 -12.997 -5.940 1.00 5.55 C ATOM 992 C TYR A 69 23.162 -13.571 -6.928 1.00 31.10 C ATOM 993 O TYR A 69 22.590 -12.846 -7.742 1.00 43.33 O ATOM 994 CB TYR A 69 23.523 -12.824 -4.567 1.00 75.15 C ATOM 995 CG TYR A 69 24.510 -12.526 -3.462 1.00 74.35 C ATOM 996 CD1 TYR A 69 25.085 -11.267 -3.338 1.00 43.05 C ATOM 997 CD2 TYR A 69 24.869 -13.504 -2.543 1.00 31.25 C ATOM 998 CE1 TYR A 69 25.988 -10.990 -2.330 1.00 42.14 C ATOM 999 CE2 TYR A 69 25.771 -13.235 -1.530 1.00 72.34 C ATOM 1000 CZ TYR A 69 26.327 -11.978 -1.429 1.00 12.51 C ATOM 1001 OH TYR A 69 27.227 -11.707 -0.423 1.00 52.05 O ATOM 0 H TYR A 69 23.992 -11.085 -6.783 1.00 70.53 H new ATOM 0 HA TYR A 69 25.007 -13.695 -5.853 1.00 5.55 H new ATOM 0 HB2 TYR A 69 22.794 -12.015 -4.619 1.00 75.15 H new ATOM 0 HB3 TYR A 69 22.974 -13.732 -4.317 1.00 75.15 H new ATOM 0 HD1 TYR A 69 24.821 -10.492 -4.042 1.00 43.05 H new ATOM 0 HD2 TYR A 69 24.437 -14.491 -2.621 1.00 31.25 H new ATOM 0 HE1 TYR A 69 26.426 -10.006 -2.248 1.00 42.14 H new ATOM 0 HE2 TYR A 69 26.038 -14.006 -0.822 1.00 72.34 H new ATOM 0 HH TYR A 69 27.134 -10.772 -0.144 1.00 52.05 H new ATOM 1011 N LYS A 70 22.946 -14.879 -6.849 1.00 53.33 N ATOM 1012 CA LYS A 70 22.002 -15.553 -7.732 1.00 53.10 C ATOM 1013 C LYS A 70 21.095 -16.493 -6.943 1.00 14.23 C ATOM 1014 O LYS A 70 21.561 -17.264 -6.105 1.00 71.33 O ATOM 1015 CB LYS A 70 22.752 -16.338 -8.810 1.00 4.23 C ATOM 1016 CG LYS A 70 21.841 -17.140 -9.724 1.00 73.02 C ATOM 1017 CD LYS A 70 22.315 -18.577 -9.862 1.00 24.44 C ATOM 1018 CE LYS A 70 22.276 -19.307 -8.527 1.00 24.25 C ATOM 1019 NZ LYS A 70 20.901 -19.347 -7.958 1.00 5.14 N1+ ATOM 0 H LYS A 70 23.412 -15.494 -6.182 1.00 53.33 H new ATOM 0 HA LYS A 70 21.383 -14.793 -8.209 1.00 53.10 H new ATOM 0 HB2 LYS A 70 23.337 -15.643 -9.413 1.00 4.23 H new ATOM 0 HB3 LYS A 70 23.458 -17.015 -8.329 1.00 4.23 H new ATOM 0 HG2 LYS A 70 20.825 -17.127 -9.329 1.00 73.02 H new ATOM 0 HG3 LYS A 70 21.807 -16.671 -10.707 1.00 73.02 H new ATOM 0 HD2 LYS A 70 21.687 -19.101 -10.583 1.00 24.44 H new ATOM 0 HD3 LYS A 70 23.331 -18.590 -10.256 1.00 24.44 H new ATOM 0 HE2 LYS A 70 22.645 -20.324 -8.658 1.00 24.25 H new ATOM 0 HE3 LYS A 70 22.946 -18.813 -7.823 1.00 24.25 H new ATOM 0 HZ1 LYS A 70 20.887 -18.843 -7.049 1.00 5.14 H new ATOM 0 HZ2 LYS A 70 20.239 -18.890 -8.617 1.00 5.14 H new ATOM 0 HZ3 LYS A 70 20.615 -20.336 -7.810 1.00 5.14 H new ATOM 1033 N VAL A 71 19.796 -16.425 -7.219 1.00 73.11 N ATOM 1034 CA VAL A 71 18.824 -17.272 -6.538 1.00 34.45 C ATOM 1035 C VAL A 71 18.082 -18.163 -7.527 1.00 63.22 C ATOM 1036 O VAL A 71 17.550 -17.685 -8.529 1.00 63.42 O ATOM 1037 CB VAL A 71 17.800 -16.431 -5.753 1.00 32.41 C ATOM 1038 CG1 VAL A 71 16.724 -17.323 -5.152 1.00 2.33 C ATOM 1039 CG2 VAL A 71 18.495 -15.618 -4.671 1.00 13.51 C ATOM 0 H VAL A 71 19.393 -15.792 -7.910 1.00 73.11 H new ATOM 0 HA VAL A 71 19.382 -17.896 -5.840 1.00 34.45 H new ATOM 0 HB VAL A 71 17.320 -15.738 -6.444 1.00 32.41 H new ATOM 0 HG11 VAL A 71 16.010 -16.711 -4.601 1.00 2.33 H new ATOM 0 HG12 VAL A 71 16.206 -17.856 -5.949 1.00 2.33 H new ATOM 0 HG13 VAL A 71 17.184 -18.042 -4.474 1.00 2.33 H new ATOM 0 HG21 VAL A 71 17.756 -15.030 -4.127 1.00 13.51 H new ATOM 0 HG22 VAL A 71 19.004 -16.291 -3.981 1.00 13.51 H new ATOM 0 HG23 VAL A 71 19.224 -14.950 -5.130 1.00 13.51 H new ATOM 1049 N GLU A 72 18.050 -19.460 -7.238 1.00 52.24 N ATOM 1050 CA GLU A 72 17.373 -20.418 -8.104 1.00 34.02 C ATOM 1051 C GLU A 72 16.197 -21.068 -7.381 1.00 45.41 C ATOM 1052 O GLU A 72 16.347 -21.593 -6.276 1.00 32.53 O ATOM 1053 CB GLU A 72 18.353 -21.494 -8.577 1.00 24.24 C ATOM 1054 CG GLU A 72 19.151 -21.093 -9.806 1.00 50.22 C ATOM 1055 CD GLU A 72 20.514 -21.755 -9.857 1.00 65.25 C ATOM 1056 OE1 GLU A 72 21.085 -22.023 -8.779 1.00 13.41 O ATOM 1057 OE2 GLU A 72 21.010 -22.005 -10.976 1.00 24.10 O1- ATOM 0 H GLU A 72 18.484 -19.871 -6.412 1.00 52.24 H new ATOM 0 HA GLU A 72 16.991 -19.879 -8.971 1.00 34.02 H new ATOM 0 HB2 GLU A 72 19.043 -21.727 -7.766 1.00 24.24 H new ATOM 0 HB3 GLU A 72 17.799 -22.407 -8.796 1.00 24.24 H new ATOM 0 HG2 GLU A 72 18.589 -21.357 -10.702 1.00 50.22 H new ATOM 0 HG3 GLU A 72 19.276 -20.010 -9.816 1.00 50.22 H new ATOM 1064 N ILE A 73 15.027 -21.029 -8.010 1.00 61.12 N ATOM 1065 CA ILE A 73 13.826 -21.614 -7.428 1.00 75.21 C ATOM 1066 C ILE A 73 13.358 -22.823 -8.231 1.00 61.50 C ATOM 1067 O ILE A 73 13.263 -22.766 -9.458 1.00 61.15 O ATOM 1068 CB ILE A 73 12.681 -20.588 -7.351 1.00 41.15 C ATOM 1069 CG1 ILE A 73 13.170 -19.293 -6.699 1.00 2.24 C ATOM 1070 CG2 ILE A 73 11.503 -21.164 -6.579 1.00 45.44 C ATOM 1071 CD1 ILE A 73 12.108 -18.219 -6.619 1.00 64.32 C ATOM 0 H ILE A 73 14.886 -20.598 -8.924 1.00 61.12 H new ATOM 0 HA ILE A 73 14.087 -21.931 -6.418 1.00 75.21 H new ATOM 0 HB ILE A 73 12.349 -20.360 -8.364 1.00 41.15 H new ATOM 0 HG12 ILE A 73 13.528 -19.514 -5.694 1.00 2.24 H new ATOM 0 HG13 ILE A 73 14.021 -18.910 -7.263 1.00 2.24 H new ATOM 0 HG21 ILE A 73 10.702 -20.426 -6.534 1.00 45.44 H new ATOM 0 HG22 ILE A 73 11.142 -22.061 -7.082 1.00 45.44 H new ATOM 0 HG23 ILE A 73 11.820 -21.418 -5.568 1.00 45.44 H new ATOM 0 HD11 ILE A 73 12.525 -17.330 -6.146 1.00 64.32 H new ATOM 0 HD12 ILE A 73 11.767 -17.969 -7.624 1.00 64.32 H new ATOM 0 HD13 ILE A 73 11.266 -18.583 -6.030 1.00 64.32 H new ATOM 1083 N ASP A 74 13.065 -23.913 -7.532 1.00 20.43 N ATOM 1084 CA ASP A 74 12.604 -25.136 -8.180 1.00 51.21 C ATOM 1085 C ASP A 74 11.082 -25.237 -8.128 1.00 25.22 C ATOM 1086 O ASP A 74 10.523 -25.911 -7.262 1.00 75.54 O ATOM 1087 CB ASP A 74 13.231 -26.360 -7.513 1.00 1.22 C ATOM 1088 CG ASP A 74 14.583 -26.711 -8.102 1.00 72.00 C ATOM 1089 OD1 ASP A 74 15.095 -25.922 -8.924 1.00 14.52 O1- ATOM 1090 OD2 ASP A 74 15.129 -27.775 -7.742 1.00 5.22 O ATOM 0 H ASP A 74 13.138 -23.976 -6.517 1.00 20.43 H new ATOM 0 HA ASP A 74 12.914 -25.103 -9.225 1.00 51.21 H new ATOM 0 HB2 ASP A 74 13.341 -26.172 -6.445 1.00 1.22 H new ATOM 0 HB3 ASP A 74 12.559 -27.212 -7.619 1.00 1.22 H new ATOM 1095 N THR A 75 10.417 -24.561 -9.060 1.00 25.23 N ATOM 1096 CA THR A 75 8.961 -24.573 -9.120 1.00 73.01 C ATOM 1097 C THR A 75 8.432 -25.980 -9.373 1.00 65.31 C ATOM 1098 O THR A 75 7.334 -26.330 -8.940 1.00 53.44 O ATOM 1099 CB THR A 75 8.436 -23.633 -10.222 1.00 32.14 C ATOM 1100 OG1 THR A 75 8.658 -24.217 -11.509 1.00 31.11 O ATOM 1101 CG2 THR A 75 9.121 -22.277 -10.148 1.00 30.20 C ATOM 0 H THR A 75 10.864 -23.998 -9.784 1.00 25.23 H new ATOM 0 HA THR A 75 8.602 -24.222 -8.152 1.00 73.01 H new ATOM 0 HB THR A 75 7.366 -23.490 -10.069 1.00 32.14 H new ATOM 0 HG1 THR A 75 7.996 -24.923 -11.667 1.00 31.11 H new ATOM 0 HG21 THR A 75 8.734 -21.630 -10.936 1.00 30.20 H new ATOM 0 HG22 THR A 75 8.925 -21.823 -9.177 1.00 30.20 H new ATOM 0 HG23 THR A 75 10.196 -22.405 -10.278 1.00 30.20 H new ATOM 1109 N LYS A 76 9.220 -26.785 -10.077 1.00 33.31 N ATOM 1110 CA LYS A 76 8.833 -28.156 -10.388 1.00 53.53 C ATOM 1111 C LYS A 76 8.425 -28.906 -9.123 1.00 52.22 C ATOM 1112 O LYS A 76 7.438 -29.641 -9.118 1.00 33.40 O ATOM 1113 CB LYS A 76 9.986 -28.890 -11.078 1.00 42.11 C ATOM 1114 CG LYS A 76 11.273 -28.894 -10.272 1.00 35.11 C ATOM 1115 CD LYS A 76 11.435 -30.186 -9.488 1.00 64.45 C ATOM 1116 CE LYS A 76 12.220 -31.222 -10.277 1.00 4.34 C ATOM 1117 NZ LYS A 76 13.643 -30.825 -10.453 1.00 11.00 N1+ ATOM 0 H LYS A 76 10.132 -26.511 -10.443 1.00 33.31 H new ATOM 0 HA LYS A 76 7.977 -28.121 -11.062 1.00 53.53 H new ATOM 0 HB2 LYS A 76 9.686 -29.920 -11.272 1.00 42.11 H new ATOM 0 HB3 LYS A 76 10.175 -28.425 -12.046 1.00 42.11 H new ATOM 0 HG2 LYS A 76 12.123 -28.764 -10.942 1.00 35.11 H new ATOM 0 HG3 LYS A 76 11.276 -28.048 -9.585 1.00 35.11 H new ATOM 0 HD2 LYS A 76 11.945 -29.980 -8.547 1.00 64.45 H new ATOM 0 HD3 LYS A 76 10.453 -30.586 -9.237 1.00 64.45 H new ATOM 0 HE2 LYS A 76 12.172 -32.182 -9.763 1.00 4.34 H new ATOM 0 HE3 LYS A 76 11.758 -31.360 -11.255 1.00 4.34 H new ATOM 0 HZ1 LYS A 76 14.220 -31.672 -10.630 1.00 11.00 H new ATOM 0 HZ2 LYS A 76 13.725 -30.175 -11.261 1.00 11.00 H new ATOM 0 HZ3 LYS A 76 13.980 -30.350 -9.591 1.00 11.00 H new ATOM 1131 N SER A 77 9.190 -28.713 -8.053 1.00 50.35 N ATOM 1132 CA SER A 77 8.908 -29.372 -6.784 1.00 24.21 C ATOM 1133 C SER A 77 7.495 -29.052 -6.307 1.00 74.33 C ATOM 1134 O SER A 77 6.829 -29.888 -5.696 1.00 24.13 O ATOM 1135 CB SER A 77 9.926 -28.943 -5.726 1.00 2.11 C ATOM 1136 OG SER A 77 11.251 -29.204 -6.156 1.00 64.04 O ATOM 0 H SER A 77 10.009 -28.106 -8.040 1.00 50.35 H new ATOM 0 HA SER A 77 8.985 -30.448 -6.937 1.00 24.21 H new ATOM 0 HB2 SER A 77 9.811 -27.879 -5.517 1.00 2.11 H new ATOM 0 HB3 SER A 77 9.732 -29.474 -4.794 1.00 2.11 H new ATOM 0 HG SER A 77 11.882 -28.919 -5.463 1.00 64.04 H new ATOM 1142 N TYR A 78 7.044 -27.835 -6.590 1.00 62.35 N ATOM 1143 CA TYR A 78 5.711 -27.401 -6.188 1.00 72.42 C ATOM 1144 C TYR A 78 4.664 -27.847 -7.203 1.00 51.41 C ATOM 1145 O TYR A 78 3.497 -28.042 -6.864 1.00 23.54 O ATOM 1146 CB TYR A 78 5.672 -25.880 -6.033 1.00 12.14 C ATOM 1147 CG TYR A 78 4.355 -25.359 -5.502 1.00 1.42 C ATOM 1148 CD1 TYR A 78 3.785 -25.897 -4.355 1.00 30.23 C ATOM 1149 CD2 TYR A 78 3.684 -24.327 -6.146 1.00 70.41 C ATOM 1150 CE1 TYR A 78 2.582 -25.424 -3.866 1.00 24.52 C ATOM 1151 CE2 TYR A 78 2.482 -23.847 -5.663 1.00 34.34 C ATOM 1152 CZ TYR A 78 1.934 -24.400 -4.524 1.00 21.50 C ATOM 1153 OH TYR A 78 0.738 -23.926 -4.040 1.00 72.23 O ATOM 0 H TYR A 78 7.582 -27.131 -7.096 1.00 62.35 H new ATOM 0 HA TYR A 78 5.480 -27.863 -5.228 1.00 72.42 H new ATOM 0 HB2 TYR A 78 6.473 -25.571 -5.361 1.00 12.14 H new ATOM 0 HB3 TYR A 78 5.872 -25.419 -7.000 1.00 12.14 H new ATOM 0 HD1 TYR A 78 4.290 -26.698 -3.837 1.00 30.23 H new ATOM 0 HD2 TYR A 78 4.109 -23.893 -7.039 1.00 70.41 H new ATOM 0 HE1 TYR A 78 2.152 -25.854 -2.974 1.00 24.52 H new ATOM 0 HE2 TYR A 78 1.974 -23.043 -6.174 1.00 34.34 H new ATOM 0 HH TYR A 78 0.646 -22.977 -4.267 1.00 72.23 H new ATOM 1163 N TRP A 79 5.090 -28.007 -8.451 1.00 73.24 N ATOM 1164 CA TRP A 79 4.190 -28.432 -9.517 1.00 62.55 C ATOM 1165 C TRP A 79 3.916 -29.930 -9.436 1.00 11.32 C ATOM 1166 O TRP A 79 2.881 -30.408 -9.899 1.00 34.45 O ATOM 1167 CB TRP A 79 4.784 -28.083 -10.883 1.00 35.20 C ATOM 1168 CG TRP A 79 4.939 -26.609 -11.104 1.00 34.11 C ATOM 1169 CD1 TRP A 79 6.064 -25.956 -11.517 1.00 52.43 C ATOM 1170 CD2 TRP A 79 3.934 -25.605 -10.923 1.00 52.00 C ATOM 1171 NE1 TRP A 79 5.820 -24.606 -11.603 1.00 13.12 N ATOM 1172 CE2 TRP A 79 4.520 -24.366 -11.245 1.00 75.53 C ATOM 1173 CE3 TRP A 79 2.595 -25.633 -10.523 1.00 50.52 C ATOM 1174 CZ2 TRP A 79 3.813 -23.168 -11.177 1.00 52.21 C ATOM 1175 CZ3 TRP A 79 1.896 -24.444 -10.456 1.00 34.34 C ATOM 1176 CH2 TRP A 79 2.504 -23.224 -10.781 1.00 2.41 C ATOM 0 H TRP A 79 6.052 -27.849 -8.749 1.00 73.24 H new ATOM 0 HA TRP A 79 3.245 -27.903 -9.393 1.00 62.55 H new ATOM 0 HB2 TRP A 79 5.758 -28.562 -10.981 1.00 35.20 H new ATOM 0 HB3 TRP A 79 4.146 -28.495 -11.665 1.00 35.20 H new ATOM 0 HD1 TRP A 79 7.008 -26.430 -11.743 1.00 52.43 H new ATOM 0 HE1 TRP A 79 6.497 -23.898 -11.887 1.00 13.12 H new ATOM 0 HE3 TRP A 79 2.116 -26.567 -10.271 1.00 50.52 H new ATOM 0 HZ2 TRP A 79 4.281 -22.228 -11.428 1.00 52.21 H new ATOM 0 HZ3 TRP A 79 0.861 -24.455 -10.147 1.00 34.34 H new ATOM 0 HH2 TRP A 79 1.929 -22.312 -10.718 1.00 2.41 H new ATOM 1187 N LYS A 80 4.851 -30.666 -8.844 1.00 14.35 N ATOM 1188 CA LYS A 80 4.710 -32.110 -8.700 1.00 74.13 C ATOM 1189 C LYS A 80 3.809 -32.453 -7.518 1.00 72.35 C ATOM 1190 O LYS A 80 3.249 -33.547 -7.451 1.00 42.42 O ATOM 1191 CB LYS A 80 6.083 -32.761 -8.513 1.00 2.35 C ATOM 1192 CG LYS A 80 6.627 -32.639 -7.101 1.00 11.13 C ATOM 1193 CD LYS A 80 6.483 -33.942 -6.334 1.00 4.54 C ATOM 1194 CE LYS A 80 7.669 -34.864 -6.574 1.00 14.23 C ATOM 1195 NZ LYS A 80 7.713 -35.979 -5.588 1.00 15.12 N1+ ATOM 0 H LYS A 80 5.714 -30.286 -8.456 1.00 14.35 H new ATOM 0 HA LYS A 80 4.251 -32.498 -9.609 1.00 74.13 H new ATOM 0 HB2 LYS A 80 6.014 -33.816 -8.777 1.00 2.35 H new ATOM 0 HB3 LYS A 80 6.790 -32.305 -9.206 1.00 2.35 H new ATOM 0 HG2 LYS A 80 7.678 -32.352 -7.138 1.00 11.13 H new ATOM 0 HG3 LYS A 80 6.098 -31.845 -6.574 1.00 11.13 H new ATOM 0 HD2 LYS A 80 6.395 -33.730 -5.268 1.00 4.54 H new ATOM 0 HD3 LYS A 80 5.564 -34.444 -6.636 1.00 4.54 H new ATOM 0 HE2 LYS A 80 7.613 -35.273 -7.583 1.00 14.23 H new ATOM 0 HE3 LYS A 80 8.593 -34.290 -6.514 1.00 14.23 H new ATOM 0 HZ1 LYS A 80 8.535 -36.585 -5.785 1.00 15.12 H new ATOM 0 HZ2 LYS A 80 7.792 -35.590 -4.627 1.00 15.12 H new ATOM 0 HZ3 LYS A 80 6.842 -36.543 -5.662 1.00 15.12 H new ATOM 1209 N ALA A 81 3.672 -31.513 -6.591 1.00 25.24 N ATOM 1210 CA ALA A 81 2.836 -31.715 -5.414 1.00 60.14 C ATOM 1211 C ALA A 81 1.369 -31.866 -5.803 1.00 25.04 C ATOM 1212 O ALA A 81 0.629 -32.637 -5.190 1.00 75.40 O ATOM 1213 CB ALA A 81 3.009 -30.561 -4.438 1.00 62.23 C ATOM 0 H ALA A 81 4.130 -30.602 -6.632 1.00 25.24 H new ATOM 0 HA ALA A 81 3.153 -32.637 -4.928 1.00 60.14 H new ATOM 0 HB1 ALA A 81 2.379 -30.726 -3.564 1.00 62.23 H new ATOM 0 HB2 ALA A 81 4.052 -30.501 -4.127 1.00 62.23 H new ATOM 0 HB3 ALA A 81 2.721 -29.628 -4.923 1.00 62.23 H new ATOM 1219 N LEU A 82 0.953 -31.125 -6.825 1.00 43.21 N ATOM 1220 CA LEU A 82 -0.427 -31.177 -7.295 1.00 42.14 C ATOM 1221 C LEU A 82 -0.517 -31.888 -8.642 1.00 63.11 C ATOM 1222 O LEU A 82 -1.569 -32.405 -9.013 1.00 71.54 O ATOM 1223 CB LEU A 82 -0.999 -29.762 -7.413 1.00 1.31 C ATOM 1224 CG LEU A 82 0.022 -28.625 -7.429 1.00 42.43 C ATOM 1225 CD1 LEU A 82 0.872 -28.687 -8.688 1.00 30.23 C ATOM 1226 CD2 LEU A 82 -0.678 -27.278 -7.323 1.00 52.23 C ATOM 0 H LEU A 82 1.551 -30.482 -7.343 1.00 43.21 H new ATOM 0 HA LEU A 82 -1.012 -31.740 -6.568 1.00 42.14 H new ATOM 0 HB2 LEU A 82 -1.590 -29.706 -8.327 1.00 1.31 H new ATOM 0 HB3 LEU A 82 -1.683 -29.598 -6.580 1.00 1.31 H new ATOM 0 HG LEU A 82 0.678 -28.741 -6.566 1.00 42.43 H new ATOM 0 HD11 LEU A 82 1.593 -27.869 -8.681 1.00 30.23 H new ATOM 0 HD12 LEU A 82 1.403 -29.638 -8.722 1.00 30.23 H new ATOM 0 HD13 LEU A 82 0.231 -28.598 -9.565 1.00 30.23 H new ATOM 0 HD21 LEU A 82 0.064 -26.480 -7.336 1.00 52.23 H new ATOM 0 HD22 LEU A 82 -1.358 -27.154 -8.166 1.00 52.23 H new ATOM 0 HD23 LEU A 82 -1.242 -27.233 -6.391 1.00 52.23 H new ATOM 1238 N GLY A 83 0.596 -31.912 -9.368 1.00 74.15 N ATOM 1239 CA GLY A 83 0.623 -32.565 -10.664 1.00 24.44 C ATOM 1240 C GLY A 83 0.281 -31.617 -11.798 1.00 53.33 C ATOM 1241 O GLY A 83 -0.523 -31.946 -12.669 1.00 44.53 O ATOM 0 H GLY A 83 1.480 -31.491 -9.082 1.00 74.15 H new ATOM 0 HA2 GLY A 83 1.613 -32.988 -10.834 1.00 24.44 H new ATOM 0 HA3 GLY A 83 -0.083 -33.396 -10.664 1.00 24.44 H new ATOM 1245 N ILE A 84 0.893 -30.437 -11.784 1.00 11.52 N ATOM 1246 CA ILE A 84 0.649 -29.439 -12.818 1.00 73.53 C ATOM 1247 C ILE A 84 1.603 -29.621 -13.994 1.00 73.31 C ATOM 1248 O ILE A 84 2.782 -29.921 -13.808 1.00 12.13 O ATOM 1249 CB ILE A 84 0.798 -28.009 -12.266 1.00 20.52 C ATOM 1250 CG1 ILE A 84 -0.575 -27.421 -11.935 1.00 42.11 C ATOM 1251 CG2 ILE A 84 1.528 -27.128 -13.268 1.00 54.52 C ATOM 1252 CD1 ILE A 84 -1.443 -28.343 -11.107 1.00 31.45 C ATOM 0 H ILE A 84 1.561 -30.149 -11.069 1.00 11.52 H new ATOM 0 HA ILE A 84 -0.376 -29.582 -13.160 1.00 73.53 H new ATOM 0 HB ILE A 84 1.387 -28.049 -11.349 1.00 20.52 H new ATOM 0 HG12 ILE A 84 -0.439 -26.483 -11.397 1.00 42.11 H new ATOM 0 HG13 ILE A 84 -1.093 -27.184 -12.864 1.00 42.11 H new ATOM 0 HG21 ILE A 84 1.625 -26.121 -12.863 1.00 54.52 H new ATOM 0 HG22 ILE A 84 2.519 -27.539 -13.460 1.00 54.52 H new ATOM 0 HG23 ILE A 84 0.963 -27.092 -14.200 1.00 54.52 H new ATOM 0 HD11 ILE A 84 -2.401 -27.862 -10.910 1.00 31.45 H new ATOM 0 HD12 ILE A 84 -1.609 -29.273 -11.651 1.00 31.45 H new ATOM 0 HD13 ILE A 84 -0.945 -28.560 -10.162 1.00 31.45 H new ATOM 1264 N SER A 85 1.085 -29.434 -15.203 1.00 52.21 N ATOM 1265 CA SER A 85 1.891 -29.579 -16.411 1.00 24.12 C ATOM 1266 C SER A 85 3.149 -28.720 -16.330 1.00 3.33 C ATOM 1267 O SER A 85 3.097 -27.491 -16.393 1.00 53.24 O ATOM 1268 CB SER A 85 1.073 -29.193 -17.644 1.00 54.52 C ATOM 1269 OG SER A 85 1.673 -29.687 -18.828 1.00 23.32 O ATOM 0 H SER A 85 0.111 -29.182 -15.373 1.00 52.21 H new ATOM 0 HA SER A 85 2.191 -30.624 -16.496 1.00 24.12 H new ATOM 0 HB2 SER A 85 0.062 -29.589 -17.552 1.00 54.52 H new ATOM 0 HB3 SER A 85 0.986 -28.108 -17.702 1.00 54.52 H new ATOM 0 HG SER A 85 2.145 -28.959 -19.284 1.00 23.32 H new ATOM 1275 N PRO A 86 4.308 -29.381 -16.187 1.00 42.12 N ATOM 1276 CA PRO A 86 5.602 -28.698 -16.097 1.00 71.24 C ATOM 1277 C PRO A 86 6.015 -28.060 -17.418 1.00 40.35 C ATOM 1278 O PRO A 86 6.509 -28.738 -18.318 1.00 12.43 O ATOM 1279 CB PRO A 86 6.569 -29.823 -15.719 1.00 45.12 C ATOM 1280 CG PRO A 86 5.926 -31.064 -16.231 1.00 24.31 C ATOM 1281 CD PRO A 86 4.443 -30.845 -16.106 1.00 65.12 C ATOM 0 HA PRO A 86 5.581 -27.876 -15.381 1.00 71.24 H new ATOM 0 HB2 PRO A 86 7.549 -29.670 -16.170 1.00 45.12 H new ATOM 0 HB3 PRO A 86 6.718 -29.871 -14.640 1.00 45.12 H new ATOM 0 HG2 PRO A 86 6.207 -31.250 -17.268 1.00 24.31 H new ATOM 0 HG3 PRO A 86 6.242 -31.933 -15.654 1.00 24.31 H new ATOM 0 HD2 PRO A 86 3.894 -31.344 -16.904 1.00 65.12 H new ATOM 0 HD3 PRO A 86 4.057 -31.233 -15.163 1.00 65.12 H new ATOM 1289 N MET A 87 5.811 -26.751 -17.527 1.00 43.33 N ATOM 1290 CA MET A 87 6.164 -26.022 -18.739 1.00 1.42 C ATOM 1291 C MET A 87 7.549 -25.395 -18.612 1.00 55.04 C ATOM 1292 O MET A 87 8.301 -25.326 -19.585 1.00 10.13 O ATOM 1293 CB MET A 87 5.125 -24.936 -19.028 1.00 20.04 C ATOM 1294 CG MET A 87 3.693 -25.442 -18.996 1.00 72.24 C ATOM 1295 SD MET A 87 3.362 -26.675 -20.270 1.00 22.31 S ATOM 1296 CE MET A 87 1.918 -25.967 -21.058 1.00 35.42 C ATOM 0 H MET A 87 5.403 -26.174 -16.791 1.00 43.33 H new ATOM 0 HA MET A 87 6.179 -26.730 -19.567 1.00 1.42 H new ATOM 0 HB2 MET A 87 5.235 -24.135 -18.297 1.00 20.04 H new ATOM 0 HB3 MET A 87 5.327 -24.503 -20.008 1.00 20.04 H new ATOM 0 HG2 MET A 87 3.486 -25.873 -18.016 1.00 72.24 H new ATOM 0 HG3 MET A 87 3.012 -24.601 -19.124 1.00 72.24 H new ATOM 0 HE1 MET A 87 1.592 -26.616 -21.870 1.00 35.42 H new ATOM 0 HE2 MET A 87 1.116 -25.869 -20.327 1.00 35.42 H new ATOM 0 HE3 MET A 87 2.167 -24.984 -21.457 1.00 35.42 H new ATOM 1306 N HIS A 88 7.881 -24.942 -17.408 1.00 0.52 N ATOM 1307 CA HIS A 88 9.176 -24.321 -17.154 1.00 51.21 C ATOM 1308 C HIS A 88 10.013 -25.178 -16.209 1.00 23.12 C ATOM 1309 O HIS A 88 9.476 -25.953 -15.419 1.00 50.35 O ATOM 1310 CB HIS A 88 8.989 -22.923 -16.563 1.00 24.12 C ATOM 1311 CG HIS A 88 8.564 -21.900 -17.570 1.00 62.11 C ATOM 1312 ND1 HIS A 88 8.779 -22.042 -18.925 1.00 74.54 N ATOM 1313 CD2 HIS A 88 7.931 -20.714 -17.413 1.00 20.22 C ATOM 1314 CE1 HIS A 88 8.298 -20.986 -19.557 1.00 21.10 C ATOM 1315 NE2 HIS A 88 7.778 -20.166 -18.663 1.00 3.14 N ATOM 0 H HIS A 88 7.271 -24.993 -16.592 1.00 0.52 H new ATOM 0 HA HIS A 88 9.703 -24.237 -18.104 1.00 51.21 H new ATOM 0 HB2 HIS A 88 8.244 -22.970 -15.768 1.00 24.12 H new ATOM 0 HB3 HIS A 88 9.925 -22.603 -16.105 1.00 24.12 H new ATOM 0 HD2 HIS A 88 7.607 -20.280 -16.479 1.00 20.22 H new ATOM 0 HE1 HIS A 88 8.326 -20.822 -20.624 1.00 21.10 H new ATOM 0 HE2 HIS A 88 7.334 -19.271 -18.867 1.00 3.14 H new ATOM 1323 N GLU A 89 11.332 -25.033 -16.297 1.00 53.32 N ATOM 1324 CA GLU A 89 12.242 -25.796 -15.450 1.00 13.34 C ATOM 1325 C GLU A 89 12.355 -25.164 -14.067 1.00 2.34 C ATOM 1326 O GLU A 89 11.825 -25.689 -13.086 1.00 33.31 O ATOM 1327 CB GLU A 89 13.625 -25.882 -16.099 1.00 13.54 C ATOM 1328 CG GLU A 89 13.664 -26.762 -17.337 1.00 22.51 C ATOM 1329 CD GLU A 89 15.058 -26.894 -17.916 1.00 44.10 C ATOM 1330 OE1 GLU A 89 15.911 -27.536 -17.267 1.00 31.10 O1- ATOM 1331 OE2 GLU A 89 15.299 -26.356 -19.017 1.00 63.34 O ATOM 0 H GLU A 89 11.794 -24.395 -16.945 1.00 53.32 H new ATOM 0 HA GLU A 89 11.838 -26.802 -15.338 1.00 13.34 H new ATOM 0 HB2 GLU A 89 13.954 -24.878 -16.367 1.00 13.54 H new ATOM 0 HB3 GLU A 89 14.337 -26.266 -15.368 1.00 13.54 H new ATOM 0 HG2 GLU A 89 13.284 -27.752 -17.086 1.00 22.51 H new ATOM 0 HG3 GLU A 89 12.998 -26.347 -18.094 1.00 22.51 H new ATOM 1338 N HIS A 90 13.051 -24.033 -13.993 1.00 12.33 N ATOM 1339 CA HIS A 90 13.235 -23.329 -12.730 1.00 64.04 C ATOM 1340 C HIS A 90 13.359 -21.826 -12.959 1.00 64.34 C ATOM 1341 O HIS A 90 13.514 -21.372 -14.091 1.00 61.10 O ATOM 1342 CB HIS A 90 14.475 -23.851 -12.006 1.00 14.33 C ATOM 1343 CG HIS A 90 15.676 -23.981 -12.892 1.00 22.52 C ATOM 1344 ND1 HIS A 90 16.364 -25.165 -13.058 1.00 21.34 N ATOM 1345 CD2 HIS A 90 16.308 -23.068 -13.665 1.00 24.13 C ATOM 1346 CE1 HIS A 90 17.370 -24.973 -13.894 1.00 42.11 C ATOM 1347 NE2 HIS A 90 17.358 -23.709 -14.277 1.00 64.31 N ATOM 0 H HIS A 90 13.497 -23.585 -14.794 1.00 12.33 H new ATOM 0 HA HIS A 90 12.358 -23.513 -12.109 1.00 64.04 H new ATOM 0 HB2 HIS A 90 14.713 -23.180 -11.181 1.00 14.33 H new ATOM 0 HB3 HIS A 90 14.248 -24.824 -11.570 1.00 14.33 H new ATOM 0 HD2 HIS A 90 16.038 -22.029 -13.780 1.00 24.13 H new ATOM 0 HE1 HIS A 90 18.081 -25.722 -14.210 1.00 42.11 H new ATOM 0 HE2 HIS A 90 18.021 -23.279 -14.922 1.00 64.31 H new ATOM 1355 N ALA A 91 13.291 -21.059 -11.875 1.00 30.43 N ATOM 1356 CA ALA A 91 13.399 -19.608 -11.958 1.00 4.31 C ATOM 1357 C ALA A 91 14.708 -19.119 -11.350 1.00 13.54 C ATOM 1358 O ALA A 91 14.963 -19.317 -10.162 1.00 55.12 O ATOM 1359 CB ALA A 91 12.214 -18.951 -11.265 1.00 53.12 C ATOM 0 H ALA A 91 13.162 -21.419 -10.929 1.00 30.43 H new ATOM 0 HA ALA A 91 13.392 -19.327 -13.011 1.00 4.31 H new ATOM 0 HB1 ALA A 91 12.307 -17.867 -11.334 1.00 53.12 H new ATOM 0 HB2 ALA A 91 11.289 -19.267 -11.747 1.00 53.12 H new ATOM 0 HB3 ALA A 91 12.196 -19.247 -10.216 1.00 53.12 H new ATOM 1365 N GLU A 92 15.534 -18.479 -12.171 1.00 71.53 N ATOM 1366 CA GLU A 92 16.819 -17.963 -11.712 1.00 22.11 C ATOM 1367 C GLU A 92 16.872 -16.443 -11.839 1.00 21.04 C ATOM 1368 O GLU A 92 16.575 -15.887 -12.897 1.00 35.42 O ATOM 1369 CB GLU A 92 17.962 -18.592 -12.512 1.00 20.12 C ATOM 1370 CG GLU A 92 17.766 -20.073 -12.791 1.00 3.34 C ATOM 1371 CD GLU A 92 19.071 -20.793 -13.067 1.00 5.13 C ATOM 1372 OE1 GLU A 92 20.032 -20.129 -13.509 1.00 51.43 O ATOM 1373 OE2 GLU A 92 19.132 -22.019 -12.843 1.00 1.44 O1- ATOM 0 H GLU A 92 15.337 -18.305 -13.157 1.00 71.53 H new ATOM 0 HA GLU A 92 16.932 -18.227 -10.661 1.00 22.11 H new ATOM 0 HB2 GLU A 92 18.065 -18.063 -13.459 1.00 20.12 H new ATOM 0 HB3 GLU A 92 18.895 -18.454 -11.966 1.00 20.12 H new ATOM 0 HG2 GLU A 92 17.273 -20.537 -11.937 1.00 3.34 H new ATOM 0 HG3 GLU A 92 17.101 -20.193 -13.647 1.00 3.34 H new ATOM 1380 N VAL A 93 17.251 -15.777 -10.753 1.00 13.33 N ATOM 1381 CA VAL A 93 17.342 -14.322 -10.743 1.00 70.50 C ATOM 1382 C VAL A 93 18.647 -13.859 -10.102 1.00 3.53 C ATOM 1383 O VAL A 93 19.075 -14.397 -9.082 1.00 12.13 O ATOM 1384 CB VAL A 93 16.160 -13.689 -9.987 1.00 51.30 C ATOM 1385 CG1 VAL A 93 16.237 -12.171 -10.044 1.00 23.41 C ATOM 1386 CG2 VAL A 93 14.838 -14.186 -10.556 1.00 45.53 C ATOM 0 H VAL A 93 17.500 -16.222 -9.869 1.00 13.33 H new ATOM 0 HA VAL A 93 17.313 -13.996 -11.783 1.00 70.50 H new ATOM 0 HB VAL A 93 16.218 -13.991 -8.941 1.00 51.30 H new ATOM 0 HG11 VAL A 93 15.392 -11.743 -9.504 1.00 23.41 H new ATOM 0 HG12 VAL A 93 17.168 -11.836 -9.586 1.00 23.41 H new ATOM 0 HG13 VAL A 93 16.206 -11.844 -11.083 1.00 23.41 H new ATOM 0 HG21 VAL A 93 14.012 -13.729 -10.010 1.00 45.53 H new ATOM 0 HG22 VAL A 93 14.771 -13.915 -11.610 1.00 45.53 H new ATOM 0 HG23 VAL A 93 14.783 -15.270 -10.456 1.00 45.53 H new ATOM 1396 N VAL A 94 19.273 -12.855 -10.708 1.00 2.22 N ATOM 1397 CA VAL A 94 20.528 -12.317 -10.196 1.00 2.02 C ATOM 1398 C VAL A 94 20.317 -10.956 -9.544 1.00 12.31 C ATOM 1399 O VAL A 94 19.655 -10.083 -10.104 1.00 50.11 O ATOM 1400 CB VAL A 94 21.579 -12.181 -11.314 1.00 14.01 C ATOM 1401 CG1 VAL A 94 22.857 -11.561 -10.773 1.00 20.21 C ATOM 1402 CG2 VAL A 94 21.859 -13.535 -11.948 1.00 30.43 C ATOM 0 H VAL A 94 18.932 -12.398 -11.554 1.00 2.22 H new ATOM 0 HA VAL A 94 20.893 -13.022 -9.449 1.00 2.02 H new ATOM 0 HB VAL A 94 21.182 -11.520 -12.084 1.00 14.01 H new ATOM 0 HG11 VAL A 94 23.587 -11.473 -11.577 1.00 20.21 H new ATOM 0 HG12 VAL A 94 22.639 -10.572 -10.371 1.00 20.21 H new ATOM 0 HG13 VAL A 94 23.262 -12.193 -9.983 1.00 20.21 H new ATOM 0 HG21 VAL A 94 22.604 -13.421 -12.736 1.00 30.43 H new ATOM 0 HG22 VAL A 94 22.236 -14.221 -11.189 1.00 30.43 H new ATOM 0 HG23 VAL A 94 20.939 -13.935 -12.374 1.00 30.43 H new ATOM 1412 N PHE A 95 20.884 -10.781 -8.354 1.00 1.21 N ATOM 1413 CA PHE A 95 20.757 -9.525 -7.624 1.00 71.43 C ATOM 1414 C PHE A 95 22.130 -8.933 -7.318 1.00 71.25 C ATOM 1415 O PHE A 95 22.895 -9.484 -6.527 1.00 40.21 O ATOM 1416 CB PHE A 95 19.983 -9.743 -6.323 1.00 71.11 C ATOM 1417 CG PHE A 95 18.687 -10.478 -6.513 1.00 42.22 C ATOM 1418 CD1 PHE A 95 18.663 -11.861 -6.580 1.00 51.32 C ATOM 1419 CD2 PHE A 95 17.492 -9.785 -6.624 1.00 41.22 C ATOM 1420 CE1 PHE A 95 17.472 -12.541 -6.754 1.00 43.10 C ATOM 1421 CE2 PHE A 95 16.298 -10.458 -6.798 1.00 42.40 C ATOM 1422 CZ PHE A 95 16.288 -11.838 -6.864 1.00 23.11 C ATOM 0 H PHE A 95 21.436 -11.493 -7.875 1.00 1.21 H new ATOM 0 HA PHE A 95 20.209 -8.823 -8.252 1.00 71.43 H new ATOM 0 HB2 PHE A 95 20.609 -10.300 -5.626 1.00 71.11 H new ATOM 0 HB3 PHE A 95 19.779 -8.775 -5.864 1.00 71.11 H new ATOM 0 HD1 PHE A 95 19.586 -12.415 -6.495 1.00 51.32 H new ATOM 0 HD2 PHE A 95 17.494 -8.706 -6.574 1.00 41.22 H new ATOM 0 HE1 PHE A 95 17.467 -13.620 -6.804 1.00 43.10 H new ATOM 0 HE2 PHE A 95 15.374 -9.906 -6.882 1.00 42.40 H new ATOM 0 HZ PHE A 95 15.356 -12.366 -7.001 1.00 23.11 H new ATOM 1432 N THR A 96 22.436 -7.805 -7.953 1.00 53.44 N ATOM 1433 CA THR A 96 23.716 -7.138 -7.752 1.00 53.12 C ATOM 1434 C THR A 96 23.627 -6.102 -6.638 1.00 30.54 C ATOM 1435 O THR A 96 22.647 -5.363 -6.542 1.00 64.13 O ATOM 1436 CB THR A 96 24.199 -6.449 -9.042 1.00 32.55 C ATOM 1437 OG1 THR A 96 24.358 -7.417 -10.086 1.00 35.50 O ATOM 1438 CG2 THR A 96 25.518 -5.726 -8.809 1.00 22.52 C ATOM 0 H THR A 96 21.814 -7.335 -8.611 1.00 53.44 H new ATOM 0 HA THR A 96 24.433 -7.909 -7.471 1.00 53.12 H new ATOM 0 HB THR A 96 23.448 -5.716 -9.338 1.00 32.55 H new ATOM 0 HG1 THR A 96 24.664 -6.970 -10.903 1.00 35.50 H new ATOM 0 HG21 THR A 96 25.839 -5.247 -9.734 1.00 22.52 H new ATOM 0 HG22 THR A 96 25.386 -4.969 -8.036 1.00 22.52 H new ATOM 0 HG23 THR A 96 26.275 -6.443 -8.490 1.00 22.52 H new ATOM 1446 N ALA A 97 24.656 -6.053 -5.798 1.00 62.01 N ATOM 1447 CA ALA A 97 24.694 -5.104 -4.692 1.00 43.35 C ATOM 1448 C ALA A 97 25.289 -3.770 -5.133 1.00 12.42 C ATOM 1449 O ALA A 97 26.399 -3.718 -5.659 1.00 52.21 O ATOM 1450 CB ALA A 97 25.490 -5.679 -3.530 1.00 10.43 C ATOM 0 H ALA A 97 25.474 -6.659 -5.862 1.00 62.01 H new ATOM 0 HA ALA A 97 23.670 -4.925 -4.364 1.00 43.35 H new ATOM 0 HB1 ALA A 97 25.510 -4.960 -2.711 1.00 10.43 H new ATOM 0 HB2 ALA A 97 25.022 -6.603 -3.190 1.00 10.43 H new ATOM 0 HB3 ALA A 97 26.509 -5.887 -3.855 1.00 10.43 H new ATOM 1456 N ASN A 98 24.539 -2.694 -4.916 1.00 22.42 N ATOM 1457 CA ASN A 98 24.992 -1.359 -5.292 1.00 70.24 C ATOM 1458 C ASN A 98 25.625 -0.644 -4.103 1.00 0.21 C ATOM 1459 O ASN A 98 26.772 -0.200 -4.170 1.00 44.32 O ATOM 1460 CB ASN A 98 23.823 -0.535 -5.834 1.00 53.32 C ATOM 1461 CG ASN A 98 23.108 -1.228 -6.978 1.00 65.42 C ATOM 1462 OD1 ASN A 98 22.189 -2.017 -6.763 1.00 61.01 O ATOM 1463 ND2 ASN A 98 23.530 -0.934 -8.202 1.00 50.32 N ATOM 0 H ASN A 98 23.616 -2.720 -4.482 1.00 22.42 H new ATOM 0 HA ASN A 98 25.746 -1.465 -6.072 1.00 70.24 H new ATOM 0 HB2 ASN A 98 23.114 -0.343 -5.029 1.00 53.32 H new ATOM 0 HB3 ASN A 98 24.191 0.434 -6.173 1.00 53.32 H new ATOM 0 HD21 ASN A 98 23.088 -1.369 -9.012 1.00 50.32 H new ATOM 0 HD22 ASN A 98 24.296 -0.273 -8.332 1.00 50.32 H new ATOM 1470 N ASP A 99 24.871 -0.535 -3.014 1.00 15.12 N ATOM 1471 CA ASP A 99 25.359 0.124 -1.809 1.00 4.24 C ATOM 1472 C ASP A 99 24.683 -0.446 -0.566 1.00 73.21 C ATOM 1473 O ASP A 99 23.807 -1.306 -0.663 1.00 53.11 O ATOM 1474 CB ASP A 99 25.113 1.631 -1.892 1.00 62.12 C ATOM 1475 CG ASP A 99 26.179 2.432 -1.170 1.00 13.14 C ATOM 1476 OD1 ASP A 99 27.359 2.344 -1.570 1.00 55.13 O ATOM 1477 OD2 ASP A 99 25.834 3.146 -0.206 1.00 52.50 O1- ATOM 0 H ASP A 99 23.919 -0.895 -2.942 1.00 15.12 H new ATOM 0 HA ASP A 99 26.431 -0.058 -1.733 1.00 4.24 H new ATOM 0 HB2 ASP A 99 25.081 1.934 -2.939 1.00 62.12 H new ATOM 0 HB3 ASP A 99 24.137 1.861 -1.464 1.00 62.12 H new ATOM 1482 N SER A 100 25.096 0.038 0.601 1.00 64.11 N ATOM 1483 CA SER A 100 24.533 -0.427 1.863 1.00 51.44 C ATOM 1484 C SER A 100 23.100 0.068 2.035 1.00 2.13 C ATOM 1485 O SER A 100 22.505 0.612 1.108 1.00 24.13 O ATOM 1486 CB SER A 100 25.393 0.048 3.035 1.00 72.33 C ATOM 1487 OG SER A 100 26.774 -0.077 2.739 1.00 61.25 O ATOM 0 H SER A 100 25.818 0.752 0.699 1.00 64.11 H new ATOM 0 HA SER A 100 24.522 -1.517 1.848 1.00 51.44 H new ATOM 0 HB2 SER A 100 25.160 1.088 3.263 1.00 72.33 H new ATOM 0 HB3 SER A 100 25.154 -0.535 3.925 1.00 72.33 H new ATOM 0 HG SER A 100 27.302 0.235 3.503 1.00 61.25 H new ATOM 1493 N GLY A 101 22.553 -0.126 3.232 1.00 42.21 N ATOM 1494 CA GLY A 101 21.195 0.306 3.505 1.00 53.22 C ATOM 1495 C GLY A 101 20.540 -0.502 4.607 1.00 10.13 C ATOM 1496 O GLY A 101 21.194 -1.264 5.321 1.00 41.01 O ATOM 0 H GLY A 101 23.026 -0.574 4.017 1.00 42.21 H new ATOM 0 HA2 GLY A 101 21.202 1.359 3.786 1.00 53.22 H new ATOM 0 HA3 GLY A 101 20.601 0.222 2.595 1.00 53.22 H new ATOM 1500 N PRO A 102 19.218 -0.340 4.759 1.00 72.31 N ATOM 1501 CA PRO A 102 18.444 -1.052 5.782 1.00 62.41 C ATOM 1502 C PRO A 102 18.326 -2.543 5.486 1.00 55.41 C ATOM 1503 O PRO A 102 18.780 -3.016 4.443 1.00 30.03 O ATOM 1504 CB PRO A 102 17.070 -0.383 5.717 1.00 3.05 C ATOM 1505 CG PRO A 102 16.975 0.156 4.331 1.00 21.03 C ATOM 1506 CD PRO A 102 18.374 0.551 3.944 1.00 22.35 C ATOM 0 HA PRO A 102 18.915 -0.994 6.763 1.00 62.41 H new ATOM 0 HB2 PRO A 102 16.272 -1.097 5.919 1.00 3.05 H new ATOM 0 HB3 PRO A 102 16.981 0.412 6.458 1.00 3.05 H new ATOM 0 HG2 PRO A 102 16.578 -0.594 3.647 1.00 21.03 H new ATOM 0 HG3 PRO A 102 16.302 1.013 4.291 1.00 21.03 H new ATOM 0 HD2 PRO A 102 18.551 0.408 2.878 1.00 22.35 H new ATOM 0 HD3 PRO A 102 18.570 1.601 4.162 1.00 22.35 H new ATOM 1514 N ARG A 103 17.715 -3.278 6.408 1.00 52.42 N ATOM 1515 CA ARG A 103 17.537 -4.716 6.245 1.00 64.24 C ATOM 1516 C ARG A 103 16.058 -5.088 6.276 1.00 1.20 C ATOM 1517 O ARG A 103 15.673 -6.091 6.878 1.00 43.01 O ATOM 1518 CB ARG A 103 18.288 -5.471 7.343 1.00 21.14 C ATOM 1519 CG ARG A 103 19.696 -4.954 7.586 1.00 71.15 C ATOM 1520 CD ARG A 103 20.542 -5.028 6.324 1.00 40.02 C ATOM 1521 NE ARG A 103 21.964 -5.170 6.626 1.00 23.44 N ATOM 1522 CZ ARG A 103 22.895 -5.371 5.701 1.00 72.30 C ATOM 1523 NH1 ARG A 103 22.557 -5.454 4.422 1.00 12.31 N1+ ATOM 1524 NH2 ARG A 103 24.169 -5.489 6.055 1.00 23.55 N ATOM 0 H ARG A 103 17.334 -2.902 7.276 1.00 52.42 H new ATOM 0 HA ARG A 103 17.944 -5.000 5.275 1.00 64.24 H new ATOM 0 HB2 ARG A 103 17.721 -5.404 8.271 1.00 21.14 H new ATOM 0 HB3 ARG A 103 18.339 -6.527 7.076 1.00 21.14 H new ATOM 0 HG2 ARG A 103 19.651 -3.922 7.935 1.00 71.15 H new ATOM 0 HG3 ARG A 103 20.168 -5.538 8.376 1.00 71.15 H new ATOM 0 HD2 ARG A 103 20.214 -5.872 5.717 1.00 40.02 H new ATOM 0 HD3 ARG A 103 20.386 -4.128 5.729 1.00 40.02 H new ATOM 0 HE ARG A 103 22.258 -5.112 7.601 1.00 23.44 H new ATOM 0 HH11 ARG A 103 21.579 -5.363 4.146 1.00 12.31 H new ATOM 0 HH12 ARG A 103 23.275 -5.608 3.714 1.00 12.31 H new ATOM 0 HH21 ARG A 103 24.433 -5.425 7.038 1.00 23.55 H new ATOM 0 HH22 ARG A 103 24.884 -5.643 5.344 1.00 23.55 H new ATOM 1538 N ARG A 104 15.234 -4.275 5.624 1.00 42.23 N ATOM 1539 CA ARG A 104 13.797 -4.518 5.578 1.00 3.34 C ATOM 1540 C ARG A 104 13.310 -4.628 4.136 1.00 11.24 C ATOM 1541 O ARG A 104 12.314 -4.012 3.758 1.00 3.33 O ATOM 1542 CB ARG A 104 13.045 -3.396 6.297 1.00 1.21 C ATOM 1543 CG ARG A 104 13.405 -3.269 7.768 1.00 52.32 C ATOM 1544 CD ARG A 104 12.558 -2.210 8.458 1.00 23.35 C ATOM 1545 NE ARG A 104 12.578 -0.940 7.740 1.00 23.43 N ATOM 1546 CZ ARG A 104 11.833 0.107 8.078 1.00 61.22 C ATOM 1547 NH1 ARG A 104 11.016 0.035 9.119 1.00 21.23 N1+ ATOM 1548 NH2 ARG A 104 11.907 1.231 7.374 1.00 61.40 N ATOM 0 H ARG A 104 15.537 -3.442 5.120 1.00 42.23 H new ATOM 0 HA ARG A 104 13.597 -5.463 6.084 1.00 3.34 H new ATOM 0 HB2 ARG A 104 13.255 -2.450 5.797 1.00 1.21 H new ATOM 0 HB3 ARG A 104 11.973 -3.573 6.208 1.00 1.21 H new ATOM 0 HG2 ARG A 104 13.263 -4.230 8.263 1.00 52.32 H new ATOM 0 HG3 ARG A 104 14.460 -3.013 7.865 1.00 52.32 H new ATOM 0 HD2 ARG A 104 11.530 -2.564 8.539 1.00 23.35 H new ATOM 0 HD3 ARG A 104 12.924 -2.058 9.473 1.00 23.35 H new ATOM 0 HE ARG A 104 13.198 -0.851 6.935 1.00 23.43 H new ATOM 0 HH11 ARG A 104 10.958 -0.826 9.663 1.00 21.23 H new ATOM 0 HH12 ARG A 104 10.445 0.840 9.376 1.00 21.23 H new ATOM 0 HH21 ARG A 104 12.536 1.291 6.573 1.00 61.40 H new ATOM 0 HH22 ARG A 104 11.335 2.034 7.634 1.00 61.40 H new ATOM 1562 N TYR A 105 14.019 -5.417 3.337 1.00 64.52 N ATOM 1563 CA TYR A 105 13.661 -5.606 1.936 1.00 43.23 C ATOM 1564 C TYR A 105 13.186 -7.033 1.682 1.00 12.34 C ATOM 1565 O TYR A 105 13.745 -7.992 2.217 1.00 73.32 O ATOM 1566 CB TYR A 105 14.855 -5.287 1.035 1.00 4.01 C ATOM 1567 CG TYR A 105 15.008 -3.814 0.730 1.00 12.10 C ATOM 1568 CD1 TYR A 105 15.021 -2.871 1.750 1.00 32.04 C ATOM 1569 CD2 TYR A 105 15.140 -3.365 -0.578 1.00 71.31 C ATOM 1570 CE1 TYR A 105 15.160 -1.524 1.477 1.00 72.42 C ATOM 1571 CE2 TYR A 105 15.280 -2.020 -0.862 1.00 24.24 C ATOM 1572 CZ TYR A 105 15.290 -1.104 0.169 1.00 22.41 C ATOM 1573 OH TYR A 105 15.429 0.237 -0.107 1.00 41.31 O ATOM 0 H TYR A 105 14.845 -5.936 3.635 1.00 64.52 H new ATOM 0 HA TYR A 105 12.844 -4.923 1.702 1.00 43.23 H new ATOM 0 HB2 TYR A 105 15.766 -5.647 1.513 1.00 4.01 H new ATOM 0 HB3 TYR A 105 14.749 -5.834 0.098 1.00 4.01 H new ATOM 0 HD1 TYR A 105 14.921 -3.197 2.775 1.00 32.04 H new ATOM 0 HD2 TYR A 105 15.133 -4.080 -1.387 1.00 71.31 H new ATOM 0 HE1 TYR A 105 15.167 -0.804 2.282 1.00 72.42 H new ATOM 0 HE2 TYR A 105 15.381 -1.688 -1.885 1.00 24.24 H new ATOM 0 HH TYR A 105 15.879 0.680 0.642 1.00 41.31 H new ATOM 1583 N THR A 106 12.148 -7.168 0.863 1.00 61.33 N ATOM 1584 CA THR A 106 11.594 -8.477 0.538 1.00 12.11 C ATOM 1585 C THR A 106 11.373 -8.622 -0.963 1.00 32.31 C ATOM 1586 O THR A 106 10.972 -7.673 -1.636 1.00 11.53 O ATOM 1587 CB THR A 106 10.260 -8.719 1.268 1.00 42.34 C ATOM 1588 OG1 THR A 106 10.461 -8.666 2.685 1.00 34.34 O ATOM 1589 CG2 THR A 106 9.671 -10.068 0.884 1.00 20.22 C ATOM 0 H THR A 106 11.673 -6.386 0.412 1.00 61.33 H new ATOM 0 HA THR A 106 12.320 -9.219 0.869 1.00 12.11 H new ATOM 0 HB THR A 106 9.561 -7.937 0.971 1.00 42.34 H new ATOM 0 HG1 THR A 106 9.608 -8.819 3.142 1.00 34.34 H new ATOM 0 HG21 THR A 106 8.729 -10.217 1.412 1.00 20.22 H new ATOM 0 HG22 THR A 106 9.493 -10.094 -0.191 1.00 20.22 H new ATOM 0 HG23 THR A 106 10.369 -10.860 1.156 1.00 20.22 H new ATOM 1597 N ILE A 107 11.637 -9.817 -1.481 1.00 71.42 N ATOM 1598 CA ILE A 107 11.464 -10.087 -2.904 1.00 74.04 C ATOM 1599 C ILE A 107 10.200 -10.901 -3.159 1.00 33.14 C ATOM 1600 O ILE A 107 10.074 -12.034 -2.694 1.00 43.14 O ATOM 1601 CB ILE A 107 12.675 -10.843 -3.483 1.00 63.22 C ATOM 1602 CG1 ILE A 107 13.975 -10.124 -3.121 1.00 62.44 C ATOM 1603 CG2 ILE A 107 12.541 -10.978 -4.993 1.00 32.41 C ATOM 1604 CD1 ILE A 107 14.036 -8.697 -3.622 1.00 2.32 C ATOM 0 H ILE A 107 11.971 -10.613 -0.938 1.00 71.42 H new ATOM 0 HA ILE A 107 11.377 -9.121 -3.402 1.00 74.04 H new ATOM 0 HB ILE A 107 12.702 -11.842 -3.048 1.00 63.22 H new ATOM 0 HG12 ILE A 107 14.092 -10.125 -2.037 1.00 62.44 H new ATOM 0 HG13 ILE A 107 14.816 -10.682 -3.533 1.00 62.44 H new ATOM 0 HG21 ILE A 107 13.404 -11.514 -5.388 1.00 32.41 H new ATOM 0 HG22 ILE A 107 11.631 -11.530 -5.230 1.00 32.41 H new ATOM 0 HG23 ILE A 107 12.492 -9.987 -5.444 1.00 32.41 H new ATOM 0 HD11 ILE A 107 14.985 -8.249 -3.329 1.00 2.32 H new ATOM 0 HD12 ILE A 107 13.951 -8.689 -4.709 1.00 2.32 H new ATOM 0 HD13 ILE A 107 13.216 -8.124 -3.190 1.00 2.32 H new ATOM 1616 N ALA A 108 9.267 -10.317 -3.902 1.00 44.40 N ATOM 1617 CA ALA A 108 8.014 -10.989 -4.223 1.00 61.41 C ATOM 1618 C ALA A 108 8.045 -11.562 -5.637 1.00 62.14 C ATOM 1619 O ALA A 108 8.145 -10.821 -6.615 1.00 70.45 O ATOM 1620 CB ALA A 108 6.844 -10.029 -4.066 1.00 74.04 C ATOM 0 H ALA A 108 9.355 -9.379 -4.293 1.00 44.40 H new ATOM 0 HA ALA A 108 7.886 -11.817 -3.526 1.00 61.41 H new ATOM 0 HB1 ALA A 108 5.915 -10.545 -4.309 1.00 74.04 H new ATOM 0 HB2 ALA A 108 6.802 -9.672 -3.037 1.00 74.04 H new ATOM 0 HB3 ALA A 108 6.976 -9.182 -4.739 1.00 74.04 H new ATOM 1626 N ALA A 109 7.958 -12.884 -5.736 1.00 63.14 N ATOM 1627 CA ALA A 109 7.975 -13.556 -7.029 1.00 74.21 C ATOM 1628 C ALA A 109 6.724 -14.406 -7.223 1.00 35.54 C ATOM 1629 O ALA A 109 6.227 -15.020 -6.280 1.00 62.10 O ATOM 1630 CB ALA A 109 9.224 -14.415 -7.162 1.00 25.13 C ATOM 0 H ALA A 109 7.875 -13.511 -4.936 1.00 63.14 H new ATOM 0 HA ALA A 109 7.988 -12.792 -7.806 1.00 74.21 H new ATOM 0 HB1 ALA A 109 9.223 -14.911 -8.133 1.00 25.13 H new ATOM 0 HB2 ALA A 109 10.110 -13.785 -7.077 1.00 25.13 H new ATOM 0 HB3 ALA A 109 9.235 -15.165 -6.371 1.00 25.13 H new ATOM 1636 N MET A 110 6.218 -14.435 -8.453 1.00 70.32 N ATOM 1637 CA MET A 110 5.024 -15.209 -8.770 1.00 45.12 C ATOM 1638 C MET A 110 5.345 -16.317 -9.768 1.00 15.33 C ATOM 1639 O MET A 110 6.164 -16.137 -10.669 1.00 41.41 O ATOM 1640 CB MET A 110 3.934 -14.298 -9.335 1.00 74.03 C ATOM 1641 CG MET A 110 3.135 -13.570 -8.265 1.00 13.10 C ATOM 1642 SD MET A 110 1.395 -13.390 -8.699 1.00 31.04 S ATOM 1643 CE MET A 110 0.612 -14.186 -7.299 1.00 0.14 C ATOM 0 H MET A 110 6.617 -13.931 -9.245 1.00 70.32 H new ATOM 0 HA MET A 110 4.663 -15.666 -7.849 1.00 45.12 H new ATOM 0 HB2 MET A 110 4.393 -13.564 -9.997 1.00 74.03 H new ATOM 0 HB3 MET A 110 3.253 -14.894 -9.943 1.00 74.03 H new ATOM 0 HG2 MET A 110 3.216 -14.114 -7.324 1.00 13.10 H new ATOM 0 HG3 MET A 110 3.569 -12.583 -8.102 1.00 13.10 H new ATOM 0 HE1 MET A 110 -0.448 -14.330 -7.509 1.00 0.14 H new ATOM 0 HE2 MET A 110 1.082 -15.153 -7.121 1.00 0.14 H new ATOM 0 HE3 MET A 110 0.725 -13.559 -6.414 1.00 0.14 H new ATOM 1653 N LEU A 111 4.694 -17.464 -9.600 1.00 31.10 N ATOM 1654 CA LEU A 111 4.910 -18.602 -10.487 1.00 3.04 C ATOM 1655 C LEU A 111 3.752 -18.756 -11.467 1.00 63.32 C ATOM 1656 O LEU A 111 2.610 -18.979 -11.064 1.00 10.01 O ATOM 1657 CB LEU A 111 5.077 -19.885 -9.671 1.00 34.42 C ATOM 1658 CG LEU A 111 6.516 -20.320 -9.392 1.00 22.01 C ATOM 1659 CD1 LEU A 111 7.358 -19.132 -8.956 1.00 40.44 C ATOM 1660 CD2 LEU A 111 6.546 -21.414 -8.334 1.00 11.55 C ATOM 0 H LEU A 111 4.013 -17.630 -8.859 1.00 31.10 H new ATOM 0 HA LEU A 111 5.821 -18.420 -11.056 1.00 3.04 H new ATOM 0 HB2 LEU A 111 4.567 -19.754 -8.717 1.00 34.42 H new ATOM 0 HB3 LEU A 111 4.569 -20.694 -10.196 1.00 34.42 H new ATOM 0 HG LEU A 111 6.939 -20.720 -10.313 1.00 22.01 H new ATOM 0 HD11 LEU A 111 8.379 -19.461 -8.762 1.00 40.44 H new ATOM 0 HD12 LEU A 111 7.363 -18.380 -9.745 1.00 40.44 H new ATOM 0 HD13 LEU A 111 6.937 -18.701 -8.048 1.00 40.44 H new ATOM 0 HD21 LEU A 111 7.578 -21.712 -8.148 1.00 11.55 H new ATOM 0 HD22 LEU A 111 6.104 -21.039 -7.411 1.00 11.55 H new ATOM 0 HD23 LEU A 111 5.978 -22.275 -8.685 1.00 11.55 H new ATOM 1672 N SER A 112 4.053 -18.639 -12.756 1.00 73.51 N ATOM 1673 CA SER A 112 3.037 -18.763 -13.794 1.00 51.32 C ATOM 1674 C SER A 112 3.615 -19.419 -15.044 1.00 24.21 C ATOM 1675 O SER A 112 4.196 -18.763 -15.910 1.00 14.52 O ATOM 1676 CB SER A 112 2.464 -17.389 -14.144 1.00 2.41 C ATOM 1677 OG SER A 112 3.317 -16.351 -13.694 1.00 5.42 O ATOM 0 H SER A 112 4.994 -18.458 -13.107 1.00 73.51 H new ATOM 0 HA SER A 112 2.236 -19.395 -13.410 1.00 51.32 H new ATOM 0 HB2 SER A 112 2.330 -17.312 -15.223 1.00 2.41 H new ATOM 0 HB3 SER A 112 1.479 -17.276 -13.691 1.00 2.41 H new ATOM 0 HG SER A 112 3.261 -15.591 -14.311 1.00 5.42 H new ATOM 1683 N PRO A 113 3.453 -20.747 -15.144 1.00 54.43 N ATOM 1684 CA PRO A 113 3.950 -21.522 -16.285 1.00 23.13 C ATOM 1685 C PRO A 113 3.175 -21.233 -17.565 1.00 42.52 C ATOM 1686 O PRO A 113 3.754 -21.144 -18.648 1.00 32.13 O ATOM 1687 CB PRO A 113 3.738 -22.974 -15.846 1.00 11.42 C ATOM 1688 CG PRO A 113 2.624 -22.911 -14.859 1.00 14.31 C ATOM 1689 CD PRO A 113 2.770 -21.593 -14.151 1.00 11.21 C ATOM 0 HA PRO A 113 4.986 -21.281 -16.521 1.00 23.13 H new ATOM 0 HB2 PRO A 113 3.481 -23.610 -16.693 1.00 11.42 H new ATOM 0 HB3 PRO A 113 4.641 -23.388 -15.398 1.00 11.42 H new ATOM 0 HG2 PRO A 113 1.657 -22.981 -15.357 1.00 14.31 H new ATOM 0 HG3 PRO A 113 2.680 -23.741 -14.154 1.00 14.31 H new ATOM 0 HD2 PRO A 113 1.802 -21.179 -13.868 1.00 11.21 H new ATOM 0 HD3 PRO A 113 3.354 -21.691 -13.236 1.00 11.21 H new ATOM 1697 N TYR A 114 1.861 -21.085 -17.435 1.00 23.21 N ATOM 1698 CA TYR A 114 1.005 -20.808 -18.582 1.00 4.41 C ATOM 1699 C TYR A 114 1.049 -19.328 -18.949 1.00 5.12 C ATOM 1700 O TYR A 114 1.351 -18.967 -20.086 1.00 62.34 O ATOM 1701 CB TYR A 114 -0.436 -21.228 -18.284 1.00 10.22 C ATOM 1702 CG TYR A 114 -0.551 -22.608 -17.676 1.00 42.23 C ATOM 1703 CD1 TYR A 114 -0.459 -23.747 -18.466 1.00 54.30 C ATOM 1704 CD2 TYR A 114 -0.749 -22.772 -16.310 1.00 64.23 C ATOM 1705 CE1 TYR A 114 -0.564 -25.009 -17.914 1.00 2.11 C ATOM 1706 CE2 TYR A 114 -0.853 -24.030 -15.750 1.00 70.43 C ATOM 1707 CZ TYR A 114 -0.761 -25.146 -16.556 1.00 23.21 C ATOM 1708 OH TYR A 114 -0.865 -26.401 -16.003 1.00 44.10 O ATOM 0 H TYR A 114 1.366 -21.152 -16.546 1.00 23.21 H new ATOM 0 HA TYR A 114 1.377 -21.386 -19.428 1.00 4.41 H new ATOM 0 HB2 TYR A 114 -0.884 -20.502 -17.605 1.00 10.22 H new ATOM 0 HB3 TYR A 114 -1.013 -21.198 -19.208 1.00 10.22 H new ATOM 0 HD1 TYR A 114 -0.303 -23.644 -19.530 1.00 54.30 H new ATOM 0 HD2 TYR A 114 -0.823 -21.901 -15.676 1.00 64.23 H new ATOM 0 HE1 TYR A 114 -0.492 -25.884 -18.543 1.00 2.11 H new ATOM 0 HE2 TYR A 114 -1.006 -24.140 -14.686 1.00 70.43 H new ATOM 0 HH TYR A 114 -1.001 -26.322 -15.036 1.00 44.10 H new ATOM 1718 N SER A 115 0.745 -18.475 -17.976 1.00 54.30 N ATOM 1719 CA SER A 115 0.748 -17.032 -18.196 1.00 50.32 C ATOM 1720 C SER A 115 2.150 -16.458 -18.020 1.00 24.11 C ATOM 1721 O SER A 115 3.089 -17.177 -17.679 1.00 43.12 O ATOM 1722 CB SER A 115 -0.222 -16.348 -17.230 1.00 73.32 C ATOM 1723 OG SER A 115 -1.566 -16.672 -17.541 1.00 23.24 O ATOM 0 H SER A 115 0.494 -18.757 -17.029 1.00 54.30 H new ATOM 0 HA SER A 115 0.425 -16.843 -19.220 1.00 50.32 H new ATOM 0 HB2 SER A 115 0.002 -16.654 -16.208 1.00 73.32 H new ATOM 0 HB3 SER A 115 -0.085 -15.268 -17.277 1.00 73.32 H new ATOM 0 HG SER A 115 -2.165 -16.224 -16.908 1.00 23.24 H new ATOM 1729 N TYR A 116 2.282 -15.157 -18.256 1.00 51.11 N ATOM 1730 CA TYR A 116 3.569 -14.485 -18.127 1.00 44.22 C ATOM 1731 C TYR A 116 4.085 -14.566 -16.693 1.00 31.31 C ATOM 1732 O TYR A 116 3.319 -14.435 -15.738 1.00 23.43 O ATOM 1733 CB TYR A 116 3.450 -13.022 -18.556 1.00 65.40 C ATOM 1734 CG TYR A 116 2.596 -12.186 -17.628 1.00 71.35 C ATOM 1735 CD1 TYR A 116 3.140 -11.603 -16.490 1.00 61.42 C ATOM 1736 CD2 TYR A 116 1.247 -11.982 -17.888 1.00 11.14 C ATOM 1737 CE1 TYR A 116 2.365 -10.840 -15.639 1.00 43.15 C ATOM 1738 CE2 TYR A 116 0.464 -11.219 -17.044 1.00 2.33 C ATOM 1739 CZ TYR A 116 1.028 -10.650 -15.921 1.00 73.22 C ATOM 1740 OH TYR A 116 0.251 -9.890 -15.076 1.00 0.32 O ATOM 0 H TYR A 116 1.514 -14.548 -18.537 1.00 51.11 H new ATOM 0 HA TYR A 116 4.281 -14.991 -18.779 1.00 44.22 H new ATOM 0 HB2 TYR A 116 4.447 -12.586 -18.610 1.00 65.40 H new ATOM 0 HB3 TYR A 116 3.029 -12.980 -19.560 1.00 65.40 H new ATOM 0 HD1 TYR A 116 4.187 -11.749 -16.267 1.00 61.42 H new ATOM 0 HD2 TYR A 116 0.802 -12.428 -18.766 1.00 11.14 H new ATOM 0 HE1 TYR A 116 2.803 -10.395 -14.758 1.00 43.15 H new ATOM 0 HE2 TYR A 116 -0.583 -11.069 -17.262 1.00 2.33 H new ATOM 0 HH TYR A 116 -0.666 -9.854 -15.419 1.00 0.32 H new ATOM 1750 N SER A 117 5.389 -14.781 -16.551 1.00 62.40 N ATOM 1751 CA SER A 117 6.007 -14.883 -15.234 1.00 41.11 C ATOM 1752 C SER A 117 6.259 -13.498 -14.645 1.00 1.43 C ATOM 1753 O SER A 117 6.738 -12.595 -15.330 1.00 74.14 O ATOM 1754 CB SER A 117 7.324 -15.657 -15.325 1.00 43.31 C ATOM 1755 OG SER A 117 8.302 -14.920 -16.038 1.00 60.44 O ATOM 0 H SER A 117 6.038 -14.888 -17.331 1.00 62.40 H new ATOM 0 HA SER A 117 5.322 -15.420 -14.578 1.00 41.11 H new ATOM 0 HB2 SER A 117 7.690 -15.877 -14.322 1.00 43.31 H new ATOM 0 HB3 SER A 117 7.154 -16.614 -15.819 1.00 43.31 H new ATOM 0 HG SER A 117 9.134 -15.436 -16.080 1.00 60.44 H new ATOM 1761 N THR A 118 5.930 -13.338 -13.366 1.00 44.23 N ATOM 1762 CA THR A 118 6.119 -12.065 -12.682 1.00 62.12 C ATOM 1763 C THR A 118 7.145 -12.189 -11.562 1.00 51.22 C ATOM 1764 O THR A 118 7.109 -13.135 -10.776 1.00 52.03 O ATOM 1765 CB THR A 118 4.794 -11.542 -12.094 1.00 41.11 C ATOM 1766 OG1 THR A 118 3.687 -12.083 -12.823 1.00 53.34 O ATOM 1767 CG2 THR A 118 4.744 -10.022 -12.139 1.00 30.23 C ATOM 0 H THR A 118 5.531 -14.075 -12.784 1.00 44.23 H new ATOM 0 HA THR A 118 6.483 -11.357 -13.427 1.00 62.12 H new ATOM 0 HB THR A 118 4.733 -11.861 -11.053 1.00 41.11 H new ATOM 0 HG1 THR A 118 3.677 -11.709 -13.729 1.00 53.34 H new ATOM 0 HG21 THR A 118 3.800 -9.676 -11.719 1.00 30.23 H new ATOM 0 HG22 THR A 118 5.571 -9.613 -11.558 1.00 30.23 H new ATOM 0 HG23 THR A 118 4.826 -9.686 -13.173 1.00 30.23 H new ATOM 1775 N MET A 119 8.059 -11.227 -11.494 1.00 51.10 N ATOM 1776 CA MET A 119 9.095 -11.228 -10.467 1.00 43.42 C ATOM 1777 C MET A 119 9.445 -9.804 -10.045 1.00 2.14 C ATOM 1778 O MET A 119 9.902 -9.001 -10.858 1.00 61.44 O ATOM 1779 CB MET A 119 10.347 -11.943 -10.976 1.00 20.41 C ATOM 1780 CG MET A 119 11.037 -12.788 -9.918 1.00 61.24 C ATOM 1781 SD MET A 119 12.385 -11.912 -9.101 1.00 43.35 S ATOM 1782 CE MET A 119 13.032 -13.201 -8.039 1.00 1.53 C ATOM 0 H MET A 119 8.104 -10.437 -12.137 1.00 51.10 H new ATOM 0 HA MET A 119 8.709 -11.761 -9.598 1.00 43.42 H new ATOM 0 HB2 MET A 119 10.075 -12.580 -11.817 1.00 20.41 H new ATOM 0 HB3 MET A 119 11.051 -11.201 -11.353 1.00 20.41 H new ATOM 0 HG2 MET A 119 10.305 -13.098 -9.172 1.00 61.24 H new ATOM 0 HG3 MET A 119 11.426 -13.696 -10.380 1.00 61.24 H new ATOM 0 HE1 MET A 119 12.787 -12.974 -7.001 1.00 1.53 H new ATOM 0 HE2 MET A 119 12.589 -14.157 -8.316 1.00 1.53 H new ATOM 0 HE3 MET A 119 14.115 -13.257 -8.153 1.00 1.53 H new ATOM 1792 N ALA A 120 9.226 -9.498 -8.771 1.00 51.45 N ATOM 1793 CA ALA A 120 9.519 -8.172 -8.242 1.00 71.34 C ATOM 1794 C ALA A 120 10.836 -8.167 -7.473 1.00 72.32 C ATOM 1795 O ALA A 120 11.047 -8.986 -6.579 1.00 32.22 O ATOM 1796 CB ALA A 120 8.383 -7.697 -7.349 1.00 12.35 C ATOM 0 H ALA A 120 8.846 -10.151 -8.085 1.00 51.45 H new ATOM 0 HA ALA A 120 9.616 -7.486 -9.083 1.00 71.34 H new ATOM 0 HB1 ALA A 120 8.616 -6.705 -6.961 1.00 12.35 H new ATOM 0 HB2 ALA A 120 7.460 -7.653 -7.927 1.00 12.35 H new ATOM 0 HB3 ALA A 120 8.258 -8.392 -6.518 1.00 12.35 H new ATOM 1802 N VAL A 121 11.719 -7.239 -7.829 1.00 53.02 N ATOM 1803 CA VAL A 121 13.016 -7.128 -7.172 1.00 21.22 C ATOM 1804 C VAL A 121 13.203 -5.745 -6.556 1.00 45.24 C ATOM 1805 O VAL A 121 13.262 -4.740 -7.265 1.00 55.42 O ATOM 1806 CB VAL A 121 14.169 -7.398 -8.156 1.00 74.22 C ATOM 1807 CG1 VAL A 121 15.512 -7.275 -7.454 1.00 73.31 C ATOM 1808 CG2 VAL A 121 14.015 -8.772 -8.792 1.00 33.42 C ATOM 0 H VAL A 121 11.560 -6.554 -8.568 1.00 53.02 H new ATOM 0 HA VAL A 121 13.037 -7.881 -6.384 1.00 21.22 H new ATOM 0 HB VAL A 121 14.130 -6.649 -8.947 1.00 74.22 H new ATOM 0 HG11 VAL A 121 16.314 -7.469 -8.166 1.00 73.31 H new ATOM 0 HG12 VAL A 121 15.621 -6.268 -7.051 1.00 73.31 H new ATOM 0 HG13 VAL A 121 15.565 -7.999 -6.641 1.00 73.31 H new ATOM 0 HG21 VAL A 121 14.838 -8.947 -9.485 1.00 33.42 H new ATOM 0 HG22 VAL A 121 14.027 -9.536 -8.015 1.00 33.42 H new ATOM 0 HG23 VAL A 121 13.070 -8.819 -9.333 1.00 33.42 H new ATOM 1818 N VAL A 122 13.295 -5.702 -5.230 1.00 24.04 N ATOM 1819 CA VAL A 122 13.477 -4.443 -4.518 1.00 52.24 C ATOM 1820 C VAL A 122 14.941 -4.223 -4.156 1.00 2.02 C ATOM 1821 O VAL A 122 15.545 -5.026 -3.443 1.00 64.54 O ATOM 1822 CB VAL A 122 12.630 -4.398 -3.233 1.00 41.24 C ATOM 1823 CG1 VAL A 122 12.682 -3.014 -2.605 1.00 71.54 C ATOM 1824 CG2 VAL A 122 11.193 -4.805 -3.526 1.00 53.13 C ATOM 0 H VAL A 122 13.246 -6.524 -4.628 1.00 24.04 H new ATOM 0 HA VAL A 122 13.149 -3.649 -5.189 1.00 52.24 H new ATOM 0 HB VAL A 122 13.047 -5.110 -2.521 1.00 41.24 H new ATOM 0 HG11 VAL A 122 12.077 -3.003 -1.698 1.00 71.54 H new ATOM 0 HG12 VAL A 122 13.714 -2.766 -2.356 1.00 71.54 H new ATOM 0 HG13 VAL A 122 12.292 -2.280 -3.310 1.00 71.54 H new ATOM 0 HG21 VAL A 122 10.609 -4.767 -2.606 1.00 53.13 H new ATOM 0 HG22 VAL A 122 10.763 -4.120 -4.257 1.00 53.13 H new ATOM 0 HG23 VAL A 122 11.176 -5.819 -3.925 1.00 53.13 H new ATOM 1834 N THR A 123 15.510 -3.128 -4.652 1.00 65.41 N ATOM 1835 CA THR A 123 16.904 -2.801 -4.383 1.00 45.23 C ATOM 1836 C THR A 123 17.034 -1.417 -3.757 1.00 73.22 C ATOM 1837 O THR A 123 16.353 -0.476 -4.164 1.00 50.41 O ATOM 1838 CB THR A 123 17.752 -2.853 -5.667 1.00 11.34 C ATOM 1839 OG1 THR A 123 17.202 -1.972 -6.653 1.00 23.43 O ATOM 1840 CG2 THR A 123 17.810 -4.269 -6.221 1.00 1.51 C ATOM 0 H THR A 123 15.025 -2.452 -5.243 1.00 65.41 H new ATOM 0 HA THR A 123 17.274 -3.550 -3.682 1.00 45.23 H new ATOM 0 HB THR A 123 18.765 -2.535 -5.420 1.00 11.34 H new ATOM 0 HG1 THR A 123 17.748 -2.009 -7.466 1.00 23.43 H new ATOM 0 HG21 THR A 123 18.415 -4.280 -7.128 1.00 1.51 H new ATOM 0 HG22 THR A 123 18.256 -4.932 -5.479 1.00 1.51 H new ATOM 0 HG23 THR A 123 16.801 -4.610 -6.453 1.00 1.51 H new ATOM 1848 N ASN A 124 17.912 -1.300 -2.767 1.00 2.14 N ATOM 1849 CA ASN A 124 18.131 -0.029 -2.085 1.00 14.35 C ATOM 1850 C ASN A 124 18.405 1.086 -3.090 1.00 21.24 C ATOM 1851 O ASN A 124 18.806 0.846 -4.229 1.00 34.35 O ATOM 1852 CB ASN A 124 19.300 -0.146 -1.106 1.00 43.11 C ATOM 1853 CG ASN A 124 20.435 -0.987 -1.658 1.00 33.41 C ATOM 1854 OD1 ASN A 124 21.102 -0.596 -2.615 1.00 65.11 O ATOM 1855 ND2 ASN A 124 20.658 -2.149 -1.054 1.00 53.22 N ATOM 0 H ASN A 124 18.484 -2.069 -2.419 1.00 2.14 H new ATOM 0 HA ASN A 124 17.226 0.218 -1.531 1.00 14.35 H new ATOM 0 HB2 ASN A 124 19.672 0.850 -0.868 1.00 43.11 H new ATOM 0 HB3 ASN A 124 18.946 -0.585 -0.173 1.00 43.11 H new ATOM 0 HD21 ASN A 124 21.408 -2.758 -1.381 1.00 53.22 H new ATOM 0 HD22 ASN A 124 20.079 -2.432 -0.263 1.00 53.22 H new ATOM 1862 N PRO A 125 18.183 2.338 -2.660 1.00 1.24 N ATOM 1863 CA PRO A 125 18.399 3.516 -3.505 1.00 4.12 C ATOM 1864 C PRO A 125 19.878 3.768 -3.779 1.00 22.32 C ATOM 1865 O PRO A 125 20.648 4.070 -2.866 1.00 40.34 O ATOM 1866 CB PRO A 125 17.807 4.659 -2.678 1.00 23.43 C ATOM 1867 CG PRO A 125 17.891 4.189 -1.267 1.00 21.31 C ATOM 1868 CD PRO A 125 17.703 2.699 -1.315 1.00 10.43 C ATOM 0 HA PRO A 125 17.942 3.402 -4.488 1.00 4.12 H new ATOM 0 HB2 PRO A 125 18.367 5.583 -2.821 1.00 23.43 H new ATOM 0 HB3 PRO A 125 16.776 4.863 -2.966 1.00 23.43 H new ATOM 0 HG2 PRO A 125 18.854 4.447 -0.827 1.00 21.31 H new ATOM 0 HG3 PRO A 125 17.123 4.660 -0.653 1.00 21.31 H new ATOM 0 HD2 PRO A 125 18.276 2.196 -0.536 1.00 10.43 H new ATOM 0 HD3 PRO A 125 16.659 2.421 -1.173 1.00 10.43 H new ATOM 1876 N LYS A 126 20.271 3.642 -5.043 1.00 1.50 N ATOM 1877 CA LYS A 126 21.657 3.858 -5.439 1.00 65.42 C ATOM 1878 C LYS A 126 22.164 5.205 -4.934 1.00 33.33 C ATOM 1879 O LYS A 126 23.355 5.372 -4.674 1.00 12.21 O ATOM 1880 CB LYS A 126 21.791 3.788 -6.962 1.00 4.33 C ATOM 1881 CG LYS A 126 21.256 5.017 -7.676 1.00 21.32 C ATOM 1882 CD LYS A 126 19.738 5.069 -7.635 1.00 73.25 C ATOM 1883 CE LYS A 126 19.188 6.086 -8.624 1.00 21.43 C ATOM 1884 NZ LYS A 126 17.702 6.040 -8.697 1.00 72.12 N1+ ATOM 0 H LYS A 126 19.648 3.391 -5.811 1.00 1.50 H new ATOM 0 HA LYS A 126 22.263 3.071 -4.991 1.00 65.42 H new ATOM 0 HB2 LYS A 126 22.842 3.657 -7.220 1.00 4.33 H new ATOM 0 HB3 LYS A 126 21.261 2.907 -7.325 1.00 4.33 H new ATOM 0 HG2 LYS A 126 21.664 5.915 -7.212 1.00 21.32 H new ATOM 0 HG3 LYS A 126 21.593 5.012 -8.713 1.00 21.32 H new ATOM 0 HD2 LYS A 126 19.333 4.083 -7.862 1.00 73.25 H new ATOM 0 HD3 LYS A 126 19.409 5.324 -6.628 1.00 73.25 H new ATOM 0 HE2 LYS A 126 19.507 7.086 -8.331 1.00 21.43 H new ATOM 0 HE3 LYS A 126 19.606 5.895 -9.612 1.00 21.43 H new ATOM 0 HZ1 LYS A 126 17.366 6.747 -9.381 1.00 72.12 H new ATOM 0 HZ2 LYS A 126 17.399 5.093 -9.001 1.00 72.12 H new ATOM 0 HZ3 LYS A 126 17.302 6.248 -7.760 1.00 72.12 H new ATOM 1898 N GLU A 127 21.251 6.162 -4.798 1.00 63.52 N ATOM 1899 CA GLU A 127 21.607 7.495 -4.324 1.00 4.22 C ATOM 1900 C GLU A 127 22.347 7.418 -2.992 1.00 54.22 C ATOM 1901 O GLU A 127 23.308 8.151 -2.762 1.00 33.32 O ATOM 1902 CB GLU A 127 20.353 8.359 -4.176 1.00 12.12 C ATOM 1903 CG GLU A 127 19.592 8.555 -5.476 1.00 23.42 C ATOM 1904 CD GLU A 127 20.319 9.467 -6.446 1.00 72.31 C ATOM 1905 OE1 GLU A 127 21.472 9.847 -6.153 1.00 44.44 O1- ATOM 1906 OE2 GLU A 127 19.733 9.800 -7.497 1.00 54.12 O ATOM 0 H GLU A 127 20.261 6.039 -5.009 1.00 63.52 H new ATOM 0 HA GLU A 127 22.268 7.951 -5.061 1.00 4.22 H new ATOM 0 HB2 GLU A 127 19.690 7.900 -3.443 1.00 12.12 H new ATOM 0 HB3 GLU A 127 20.638 9.334 -3.781 1.00 12.12 H new ATOM 0 HG2 GLU A 127 19.429 7.586 -5.947 1.00 23.42 H new ATOM 0 HG3 GLU A 127 18.609 8.972 -5.258 1.00 23.42 H new TER 1913 GLU A 127