USER MOD reduce.3.24.130724 H: found=0, std=0, add=697, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 695 hydrogens (44 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 87 ASN : amide:sc= -0.811 K(o=-0.85,f=-2.6!) USER MOD Set 1.2: A 89 ASN : amide:sc= -0.0344 K(o=-0.85,f=-5.1!) USER MOD Set 2.1: A 17 TYR OH : rot 180:sc= -0.412 USER MOD Set 2.2: A 66 ASN : amide:sc= -3.31 K(o=-3.7,f=-2.8!) USER MOD Single : A 1 ALA N :NH3+ -110:sc= 0.0568 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.0107 USER MOD Single : A 9 SER OG : rot 105:sc= 0.0954 USER MOD Single : A 12 SER OG : rot 88:sc= 0.0538 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot -100:sc= 0.779 USER MOD Single : A 25 SER OG : rot 180:sc= 0.0684 USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -0.0613 K(o=-0.061,f=-0.87) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.0229 USER MOD Single : A 42 THR OG1 : rot 32:sc= 1.56 USER MOD Single : A 46 GLN : amide:sc= -1.39 K(o=-1.4,f=-4.4!) USER MOD Single : A 50 ASN : amide:sc= -1.23 K(o=-1.2,f=-2.1!) USER MOD Single : A 53 LYS NZ :NH3+ 147:sc= -0.331 (180deg=-0.616) USER MOD Single : A 54 SER OG : rot 71:sc= 0.346 USER MOD Single : A 58 SER OG : rot -39:sc= 0.575 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -3.61 K(o=-3.6,f=-5.2!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc=-0.00357 X(o=-0.0036,f=-0.098) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 161:sc= -0.0146 (180deg=-0.216) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot -178:sc= -1.03 USER MOD Single : A 90 THR OG1 : rot -54:sc= 0.439 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 PGM O1 : rot 180:sc= 0 USER MOD Single : A 101 PGM O2 : rot 180:sc= 0 USER MOD Single : A 101 PGM O8 : rot -145:sc= 0.123 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 4.205 -1.140 0.917 1.00 0.45 N ATOM 2 CA ALA A 1 3.849 -1.086 -0.495 1.00 32.11 C ATOM 3 C ALA A 1 4.235 -2.378 -1.208 1.00 1.42 C ATOM 4 O ALA A 1 5.146 -3.086 -0.778 1.00 42.13 O ATOM 5 CB ALA A 1 4.516 0.107 -1.163 1.00 14.44 C ATOM 0 H1 ALA A 1 3.340 -1.199 1.491 1.00 0.45 H new ATOM 0 H2 ALA A 1 4.796 -1.977 1.094 1.00 0.45 H new ATOM 0 H3 ALA A 1 4.734 -0.282 1.175 1.00 0.45 H new ATOM 0 HA ALA A 1 2.768 -0.971 -0.567 1.00 32.11 H new ATOM 0 HB1 ALA A 1 4.241 0.134 -2.217 1.00 14.44 H new ATOM 0 HB2 ALA A 1 4.187 1.026 -0.678 1.00 14.44 H new ATOM 0 HB3 ALA A 1 5.598 0.016 -1.073 1.00 14.44 H new ATOM 11 N ILE A 2 3.537 -2.678 -2.297 1.00 74.14 N ATOM 12 CA ILE A 2 3.808 -3.884 -3.069 1.00 74.54 C ATOM 13 C ILE A 2 5.016 -3.694 -3.980 1.00 74.44 C ATOM 14 O ILE A 2 5.600 -2.612 -4.036 1.00 74.23 O ATOM 15 CB ILE A 2 2.593 -4.290 -3.924 1.00 73.44 C ATOM 16 CG1 ILE A 2 2.426 -3.328 -5.102 1.00 13.20 C ATOM 17 CG2 ILE A 2 1.332 -4.319 -3.074 1.00 12.25 C ATOM 18 CD1 ILE A 2 1.212 -3.622 -5.956 1.00 25.50 C ATOM 0 H ILE A 2 2.779 -2.103 -2.665 1.00 74.14 H new ATOM 0 HA ILE A 2 4.018 -4.677 -2.352 1.00 74.54 H new ATOM 0 HB ILE A 2 2.764 -5.292 -4.319 1.00 73.44 H new ATOM 0 HG12 ILE A 2 2.354 -2.309 -4.721 1.00 13.20 H new ATOM 0 HG13 ILE A 2 3.318 -3.373 -5.726 1.00 13.20 H new ATOM 0 HG21 ILE A 2 0.483 -4.608 -3.693 1.00 12.25 H new ATOM 0 HG22 ILE A 2 1.454 -5.041 -2.266 1.00 12.25 H new ATOM 0 HG23 ILE A 2 1.154 -3.330 -2.653 1.00 12.25 H new ATOM 0 HD11 ILE A 2 1.157 -2.901 -6.771 1.00 25.50 H new ATOM 0 HD12 ILE A 2 1.291 -4.629 -6.367 1.00 25.50 H new ATOM 0 HD13 ILE A 2 0.312 -3.549 -5.346 1.00 25.50 H new ATOM 30 N SER A 3 5.384 -4.753 -4.694 1.00 70.32 N ATOM 31 CA SER A 3 6.524 -4.704 -5.602 1.00 70.22 C ATOM 32 C SER A 3 6.062 -4.525 -7.045 1.00 51.11 C ATOM 33 O SER A 3 5.579 -5.465 -7.676 1.00 71.42 O ATOM 34 CB SER A 3 7.358 -5.980 -5.477 1.00 23.43 C ATOM 35 OG SER A 3 7.572 -6.318 -4.117 1.00 63.22 O ATOM 0 H SER A 3 4.909 -5.655 -4.661 1.00 70.32 H new ATOM 0 HA SER A 3 7.139 -3.848 -5.327 1.00 70.22 H new ATOM 0 HB2 SER A 3 6.851 -6.801 -5.984 1.00 23.43 H new ATOM 0 HB3 SER A 3 8.317 -5.842 -5.976 1.00 23.43 H new ATOM 0 HG SER A 3 8.106 -7.138 -4.064 1.00 63.22 H new ATOM 41 N CYS A 4 6.214 -3.310 -7.562 1.00 13.04 N ATOM 42 CA CYS A 4 5.812 -3.004 -8.929 1.00 64.45 C ATOM 43 C CYS A 4 6.390 -4.025 -9.906 1.00 54.24 C ATOM 44 O CYS A 4 5.748 -4.390 -10.890 1.00 73.03 O ATOM 45 CB CYS A 4 6.271 -1.597 -9.315 1.00 51.32 C ATOM 46 SG CYS A 4 5.112 -0.278 -8.830 1.00 34.03 S ATOM 0 H CYS A 4 6.613 -2.521 -7.054 1.00 13.04 H new ATOM 0 HA CYS A 4 4.724 -3.051 -8.981 1.00 64.45 H new ATOM 0 HB2 CYS A 4 7.239 -1.403 -8.854 1.00 51.32 H new ATOM 0 HB3 CYS A 4 6.418 -1.558 -10.394 1.00 51.32 H new ATOM 51 N GLY A 5 7.607 -4.481 -9.627 1.00 34.45 N ATOM 52 CA GLY A 5 8.250 -5.455 -10.489 1.00 61.10 C ATOM 53 C GLY A 5 7.445 -6.732 -10.623 1.00 60.34 C ATOM 54 O GLY A 5 7.514 -7.413 -11.646 1.00 42.24 O ATOM 0 H GLY A 5 8.159 -4.193 -8.819 1.00 34.45 H new ATOM 0 HA2 GLY A 5 8.400 -5.019 -11.476 1.00 61.10 H new ATOM 0 HA3 GLY A 5 9.237 -5.691 -10.092 1.00 61.10 H new ATOM 58 N ALA A 6 6.680 -7.060 -9.587 1.00 2.30 N ATOM 59 CA ALA A 6 5.859 -8.264 -9.594 1.00 55.40 C ATOM 60 C ALA A 6 4.513 -8.006 -10.263 1.00 52.22 C ATOM 61 O ALA A 6 3.844 -8.936 -10.715 1.00 3.23 O ATOM 62 CB ALA A 6 5.655 -8.772 -8.174 1.00 65.25 C ATOM 0 H ALA A 6 6.612 -6.508 -8.732 1.00 2.30 H new ATOM 0 HA ALA A 6 6.382 -9.027 -10.170 1.00 55.40 H new ATOM 0 HB1 ALA A 6 5.040 -9.672 -8.194 1.00 65.25 H new ATOM 0 HB2 ALA A 6 6.622 -9.004 -7.728 1.00 65.25 H new ATOM 0 HB3 ALA A 6 5.156 -8.005 -7.581 1.00 65.25 H new ATOM 68 N VAL A 7 4.120 -6.737 -10.323 1.00 61.22 N ATOM 69 CA VAL A 7 2.854 -6.357 -10.938 1.00 32.13 C ATOM 70 C VAL A 7 2.857 -6.656 -12.433 1.00 10.43 C ATOM 71 O VAL A 7 1.962 -7.328 -12.945 1.00 71.44 O ATOM 72 CB VAL A 7 2.553 -4.862 -10.725 1.00 1.44 C ATOM 73 CG1 VAL A 7 1.183 -4.507 -11.283 1.00 23.40 C ATOM 74 CG2 VAL A 7 2.645 -4.505 -9.249 1.00 32.24 C ATOM 0 H VAL A 7 4.661 -5.955 -9.953 1.00 61.22 H new ATOM 0 HA VAL A 7 2.077 -6.949 -10.454 1.00 32.13 H new ATOM 0 HB VAL A 7 3.300 -4.279 -11.264 1.00 1.44 H new ATOM 0 HG11 VAL A 7 0.989 -3.446 -11.123 1.00 23.40 H new ATOM 0 HG12 VAL A 7 1.158 -4.723 -12.351 1.00 23.40 H new ATOM 0 HG13 VAL A 7 0.419 -5.096 -10.775 1.00 23.40 H new ATOM 0 HG21 VAL A 7 2.429 -3.445 -9.117 1.00 32.24 H new ATOM 0 HG22 VAL A 7 1.922 -5.095 -8.686 1.00 32.24 H new ATOM 0 HG23 VAL A 7 3.650 -4.719 -8.885 1.00 32.24 H new ATOM 84 N THR A 8 3.871 -6.151 -13.129 1.00 73.04 N ATOM 85 CA THR A 8 3.991 -6.363 -14.566 1.00 40.43 C ATOM 86 C THR A 8 4.449 -7.783 -14.876 1.00 74.24 C ATOM 87 O THR A 8 3.984 -8.400 -15.835 1.00 51.10 O ATOM 88 CB THR A 8 4.981 -5.367 -15.200 1.00 13.21 C ATOM 89 OG1 THR A 8 6.305 -5.619 -14.718 1.00 64.14 O ATOM 90 CG2 THR A 8 4.584 -3.933 -14.881 1.00 63.11 C ATOM 0 H THR A 8 4.621 -5.593 -12.721 1.00 73.04 H new ATOM 0 HA THR A 8 3.001 -6.202 -14.993 1.00 40.43 H new ATOM 0 HB THR A 8 4.957 -5.502 -16.281 1.00 13.21 H new ATOM 0 HG1 THR A 8 6.929 -4.983 -15.127 1.00 64.14 H new ATOM 0 HG21 THR A 8 5.297 -3.248 -15.339 1.00 63.11 H new ATOM 0 HG22 THR A 8 3.587 -3.735 -15.275 1.00 63.11 H new ATOM 0 HG23 THR A 8 4.583 -3.787 -13.801 1.00 63.11 H new ATOM 98 N SER A 9 5.362 -8.298 -14.059 1.00 51.40 N ATOM 99 CA SER A 9 5.885 -9.646 -14.248 1.00 52.54 C ATOM 100 C SER A 9 4.756 -10.671 -14.247 1.00 74.42 C ATOM 101 O SER A 9 4.748 -11.604 -15.051 1.00 4.01 O ATOM 102 CB SER A 9 6.896 -9.982 -13.151 1.00 30.03 C ATOM 103 OG SER A 9 8.212 -9.634 -13.545 1.00 72.24 O ATOM 0 H SER A 9 5.755 -7.802 -13.259 1.00 51.40 H new ATOM 0 HA SER A 9 6.385 -9.683 -15.216 1.00 52.54 H new ATOM 0 HB2 SER A 9 6.635 -9.450 -12.236 1.00 30.03 H new ATOM 0 HB3 SER A 9 6.851 -11.047 -12.925 1.00 30.03 H new ATOM 0 HG SER A 9 8.486 -8.814 -13.083 1.00 72.24 H new ATOM 109 N ASP A 10 3.803 -10.492 -13.339 1.00 51.20 N ATOM 110 CA ASP A 10 2.667 -11.400 -13.232 1.00 61.34 C ATOM 111 C ASP A 10 1.914 -11.487 -14.556 1.00 41.43 C ATOM 112 O ASP A 10 1.281 -12.499 -14.858 1.00 21.30 O ATOM 113 CB ASP A 10 1.721 -10.940 -12.122 1.00 70.03 C ATOM 114 CG ASP A 10 2.261 -11.244 -10.739 1.00 12.24 C ATOM 115 OD1 ASP A 10 1.824 -10.583 -9.773 1.00 3.12 O ATOM 116 OD2 ASP A 10 3.119 -12.143 -10.621 1.00 42.13 O ATOM 0 H ASP A 10 3.795 -9.726 -12.666 1.00 51.20 H new ATOM 0 HA ASP A 10 3.048 -12.391 -12.986 1.00 61.34 H new ATOM 0 HB2 ASP A 10 1.551 -9.867 -12.215 1.00 70.03 H new ATOM 0 HB3 ASP A 10 0.754 -11.428 -12.247 1.00 70.03 H new ATOM 121 N LEU A 11 1.986 -10.418 -15.342 1.00 72.14 N ATOM 122 CA LEU A 11 1.310 -10.372 -16.634 1.00 70.14 C ATOM 123 C LEU A 11 2.247 -10.812 -17.755 1.00 12.01 C ATOM 124 O LEU A 11 1.999 -10.536 -18.929 1.00 21.42 O ATOM 125 CB LEU A 11 0.793 -8.959 -16.912 1.00 31.44 C ATOM 126 CG LEU A 11 -0.433 -8.524 -16.108 1.00 41.31 C ATOM 127 CD1 LEU A 11 -0.894 -7.142 -16.545 1.00 2.32 C ATOM 128 CD2 LEU A 11 -1.558 -9.536 -16.261 1.00 75.32 C ATOM 0 H LEU A 11 2.505 -9.572 -15.107 1.00 72.14 H new ATOM 0 HA LEU A 11 0.466 -11.061 -16.599 1.00 70.14 H new ATOM 0 HB2 LEU A 11 1.600 -8.253 -16.717 1.00 31.44 H new ATOM 0 HB3 LEU A 11 0.553 -8.883 -17.973 1.00 31.44 H new ATOM 0 HG LEU A 11 -0.155 -8.476 -15.055 1.00 41.31 H new ATOM 0 HD11 LEU A 11 -1.767 -6.849 -15.962 1.00 2.32 H new ATOM 0 HD12 LEU A 11 -0.091 -6.423 -16.383 1.00 2.32 H new ATOM 0 HD13 LEU A 11 -1.154 -7.163 -17.603 1.00 2.32 H new ATOM 0 HD21 LEU A 11 -2.422 -9.210 -15.682 1.00 75.32 H new ATOM 0 HD22 LEU A 11 -1.835 -9.616 -17.312 1.00 75.32 H new ATOM 0 HD23 LEU A 11 -1.224 -10.508 -15.899 1.00 75.32 H new ATOM 140 N SER A 12 3.323 -11.499 -17.384 1.00 74.14 N ATOM 141 CA SER A 12 4.298 -11.976 -18.358 1.00 73.20 C ATOM 142 C SER A 12 3.623 -12.825 -19.431 1.00 70.13 C ATOM 143 O SER A 12 3.668 -12.516 -20.622 1.00 73.43 O ATOM 144 CB SER A 12 5.390 -12.789 -17.661 1.00 23.12 C ATOM 145 OG SER A 12 6.539 -11.996 -17.418 1.00 64.22 O ATOM 0 H SER A 12 3.541 -11.738 -16.417 1.00 74.14 H new ATOM 0 HA SER A 12 4.751 -11.108 -18.837 1.00 73.20 H new ATOM 0 HB2 SER A 12 5.009 -13.182 -16.718 1.00 23.12 H new ATOM 0 HB3 SER A 12 5.660 -13.646 -18.278 1.00 23.12 H new ATOM 0 HG SER A 12 6.444 -11.537 -16.557 1.00 64.22 H new ATOM 151 N PRO A 13 2.982 -13.922 -19.001 1.00 1.13 N ATOM 152 CA PRO A 13 2.285 -14.839 -19.908 1.00 11.44 C ATOM 153 C PRO A 13 1.026 -14.218 -20.504 1.00 64.14 C ATOM 154 O PRO A 13 0.417 -14.779 -21.416 1.00 23.22 O ATOM 155 CB PRO A 13 1.922 -16.022 -19.006 1.00 42.44 C ATOM 156 CG PRO A 13 1.858 -15.446 -17.634 1.00 23.34 C ATOM 157 CD PRO A 13 2.888 -14.351 -17.595 1.00 61.23 C ATOM 0 HA PRO A 13 2.901 -15.112 -20.765 1.00 11.44 H new ATOM 0 HB2 PRO A 13 0.968 -16.462 -19.295 1.00 42.44 H new ATOM 0 HB3 PRO A 13 2.670 -16.812 -19.069 1.00 42.44 H new ATOM 0 HG2 PRO A 13 0.863 -15.054 -17.422 1.00 23.34 H new ATOM 0 HG3 PRO A 13 2.068 -16.206 -16.882 1.00 23.34 H new ATOM 0 HD2 PRO A 13 2.580 -13.532 -16.945 1.00 61.23 H new ATOM 0 HD3 PRO A 13 3.845 -14.713 -17.220 1.00 61.23 H new ATOM 165 N CYS A 14 0.642 -13.057 -19.986 1.00 14.14 N ATOM 166 CA CYS A 14 -0.545 -12.359 -20.467 1.00 24.32 C ATOM 167 C CYS A 14 -0.179 -11.350 -21.551 1.00 54.42 C ATOM 168 O CYS A 14 -0.978 -11.066 -22.445 1.00 41.13 O ATOM 169 CB CYS A 14 -1.249 -11.649 -19.309 1.00 42.32 C ATOM 170 SG CYS A 14 -1.799 -12.763 -17.977 1.00 74.05 S ATOM 0 H CYS A 14 1.136 -12.579 -19.232 1.00 14.14 H new ATOM 0 HA CYS A 14 -1.222 -13.097 -20.896 1.00 24.32 H new ATOM 0 HB2 CYS A 14 -0.573 -10.904 -18.889 1.00 42.32 H new ATOM 0 HB3 CYS A 14 -2.114 -11.111 -19.698 1.00 42.32 H new ATOM 175 N LEU A 15 1.032 -10.811 -21.466 1.00 13.41 N ATOM 176 CA LEU A 15 1.504 -9.832 -22.440 1.00 21.43 C ATOM 177 C LEU A 15 1.178 -10.278 -23.862 1.00 25.55 C ATOM 178 O LEU A 15 0.791 -9.469 -24.705 1.00 30.10 O ATOM 179 CB LEU A 15 3.012 -9.623 -22.291 1.00 61.23 C ATOM 180 CG LEU A 15 3.558 -8.288 -22.799 1.00 73.24 C ATOM 181 CD1 LEU A 15 2.857 -7.128 -22.110 1.00 1.15 C ATOM 182 CD2 LEU A 15 5.062 -8.210 -22.583 1.00 50.23 C ATOM 0 H LEU A 15 1.705 -11.035 -20.733 1.00 13.41 H new ATOM 0 HA LEU A 15 0.992 -8.889 -22.249 1.00 21.43 H new ATOM 0 HB2 LEU A 15 3.270 -9.720 -21.236 1.00 61.23 H new ATOM 0 HB3 LEU A 15 3.524 -10.427 -22.820 1.00 61.23 H new ATOM 0 HG LEU A 15 3.361 -8.220 -23.869 1.00 73.24 H new ATOM 0 HD11 LEU A 15 3.259 -6.186 -22.484 1.00 1.15 H new ATOM 0 HD12 LEU A 15 1.788 -7.174 -22.317 1.00 1.15 H new ATOM 0 HD13 LEU A 15 3.021 -7.191 -21.034 1.00 1.15 H new ATOM 0 HD21 LEU A 15 5.433 -7.253 -22.950 1.00 50.23 H new ATOM 0 HD22 LEU A 15 5.282 -8.300 -21.519 1.00 50.23 H new ATOM 0 HD23 LEU A 15 5.550 -9.021 -23.124 1.00 50.23 H new ATOM 194 N THR A 16 1.336 -11.573 -24.121 1.00 43.21 N ATOM 195 CA THR A 16 1.058 -12.127 -25.440 1.00 23.31 C ATOM 196 C THR A 16 -0.360 -11.793 -25.889 1.00 65.22 C ATOM 197 O THR A 16 -0.558 -11.099 -26.886 1.00 43.43 O ATOM 198 CB THR A 16 1.243 -13.656 -25.457 1.00 21.42 C ATOM 199 OG1 THR A 16 2.604 -13.989 -25.159 1.00 52.31 O ATOM 200 CG2 THR A 16 0.860 -14.233 -26.811 1.00 53.13 C ATOM 0 H THR A 16 1.655 -12.257 -23.435 1.00 43.21 H new ATOM 0 HA THR A 16 1.770 -11.674 -26.130 1.00 23.31 H new ATOM 0 HB THR A 16 0.589 -14.086 -24.698 1.00 21.42 H new ATOM 0 HG1 THR A 16 2.712 -14.963 -25.170 1.00 52.31 H new ATOM 0 HG21 THR A 16 0.999 -15.314 -26.798 1.00 53.13 H new ATOM 0 HG22 THR A 16 -0.185 -14.004 -27.022 1.00 53.13 H new ATOM 0 HG23 THR A 16 1.491 -13.795 -27.585 1.00 53.13 H new ATOM 208 N TYR A 17 -1.343 -12.291 -25.148 1.00 3.15 N ATOM 209 CA TYR A 17 -2.743 -12.046 -25.471 1.00 72.20 C ATOM 210 C TYR A 17 -3.074 -10.561 -25.369 1.00 14.51 C ATOM 211 O TYR A 17 -3.916 -10.048 -26.107 1.00 52.55 O ATOM 212 CB TYR A 17 -3.652 -12.848 -24.537 1.00 64.04 C ATOM 213 CG TYR A 17 -5.110 -12.458 -24.629 1.00 5.22 C ATOM 214 CD1 TYR A 17 -5.854 -12.740 -25.767 1.00 74.33 C ATOM 215 CD2 TYR A 17 -5.742 -11.806 -23.578 1.00 1.25 C ATOM 216 CE1 TYR A 17 -7.187 -12.385 -25.856 1.00 25.13 C ATOM 217 CE2 TYR A 17 -7.074 -11.448 -23.657 1.00 21.25 C ATOM 218 CZ TYR A 17 -7.792 -11.740 -24.798 1.00 2.34 C ATOM 219 OH TYR A 17 -9.118 -11.384 -24.881 1.00 15.12 O ATOM 0 H TYR A 17 -1.196 -12.867 -24.319 1.00 3.15 H new ATOM 0 HA TYR A 17 -2.914 -12.368 -26.498 1.00 72.20 H new ATOM 0 HB2 TYR A 17 -3.553 -13.908 -24.769 1.00 64.04 H new ATOM 0 HB3 TYR A 17 -3.313 -12.714 -23.510 1.00 64.04 H new ATOM 0 HD1 TYR A 17 -5.383 -13.246 -26.597 1.00 74.33 H new ATOM 0 HD2 TYR A 17 -5.183 -11.575 -22.684 1.00 1.25 H new ATOM 0 HE1 TYR A 17 -7.751 -12.611 -26.749 1.00 25.13 H new ATOM 0 HE2 TYR A 17 -7.550 -10.942 -22.830 1.00 21.25 H new ATOM 0 HH TYR A 17 -9.390 -10.939 -24.051 1.00 15.12 H new ATOM 229 N LEU A 18 -2.406 -9.874 -24.449 1.00 21.23 N ATOM 230 CA LEU A 18 -2.627 -8.446 -24.249 1.00 32.25 C ATOM 231 C LEU A 18 -2.043 -7.638 -25.402 1.00 41.45 C ATOM 232 O LEU A 18 -2.418 -6.485 -25.620 1.00 43.12 O ATOM 233 CB LEU A 18 -2.004 -7.994 -22.927 1.00 1.22 C ATOM 234 CG LEU A 18 -2.660 -8.534 -21.656 1.00 22.53 C ATOM 235 CD1 LEU A 18 -2.017 -7.921 -20.421 1.00 73.23 C ATOM 236 CD2 LEU A 18 -4.157 -8.263 -21.671 1.00 1.50 C ATOM 0 H LEU A 18 -1.706 -10.283 -23.829 1.00 21.23 H new ATOM 0 HA LEU A 18 -3.702 -8.271 -24.215 1.00 32.25 H new ATOM 0 HB2 LEU A 18 -0.955 -8.289 -22.924 1.00 1.22 H new ATOM 0 HB3 LEU A 18 -2.029 -6.905 -22.890 1.00 1.22 H new ATOM 0 HG LEU A 18 -2.507 -9.613 -21.622 1.00 22.53 H new ATOM 0 HD11 LEU A 18 -2.497 -8.317 -19.526 1.00 73.23 H new ATOM 0 HD12 LEU A 18 -0.955 -8.168 -20.403 1.00 73.23 H new ATOM 0 HD13 LEU A 18 -2.137 -6.838 -20.448 1.00 73.23 H new ATOM 0 HD21 LEU A 18 -4.607 -8.654 -20.759 1.00 1.50 H new ATOM 0 HD22 LEU A 18 -4.332 -7.189 -21.730 1.00 1.50 H new ATOM 0 HD23 LEU A 18 -4.607 -8.751 -22.536 1.00 1.50 H new ATOM 248 N THR A 19 -1.123 -8.250 -26.142 1.00 33.22 N ATOM 249 CA THR A 19 -0.488 -7.588 -27.274 1.00 61.52 C ATOM 250 C THR A 19 -1.113 -8.033 -28.592 1.00 4.42 C ATOM 251 O THR A 19 -0.476 -7.973 -29.643 1.00 31.41 O ATOM 252 CB THR A 19 1.025 -7.874 -27.315 1.00 3.43 C ATOM 253 OG1 THR A 19 1.260 -9.285 -27.248 1.00 51.41 O ATOM 254 CG2 THR A 19 1.737 -7.181 -26.163 1.00 5.13 C ATOM 0 H THR A 19 -0.801 -9.204 -25.977 1.00 33.22 H new ATOM 0 HA THR A 19 -0.645 -6.517 -27.143 1.00 61.52 H new ATOM 0 HB THR A 19 1.421 -7.485 -28.253 1.00 3.43 H new ATOM 0 HG1 THR A 19 1.513 -9.532 -26.334 1.00 51.41 H new ATOM 0 HG21 THR A 19 2.804 -7.397 -26.212 1.00 5.13 H new ATOM 0 HG22 THR A 19 1.581 -6.105 -26.234 1.00 5.13 H new ATOM 0 HG23 THR A 19 1.337 -7.544 -25.217 1.00 5.13 H new ATOM 262 N GLY A 20 -2.364 -8.477 -28.528 1.00 71.32 N ATOM 263 CA GLY A 20 -3.054 -8.924 -29.724 1.00 32.41 C ATOM 264 C GLY A 20 -2.913 -10.416 -29.951 1.00 63.43 C ATOM 265 O GLY A 20 -3.595 -10.990 -30.800 1.00 1.45 O ATOM 0 H GLY A 20 -2.912 -8.535 -27.670 1.00 71.32 H new ATOM 0 HA2 GLY A 20 -4.111 -8.670 -29.646 1.00 32.41 H new ATOM 0 HA3 GLY A 20 -2.660 -8.389 -30.588 1.00 32.41 H new ATOM 269 N GLY A 21 -2.022 -11.048 -29.192 1.00 12.41 N ATOM 270 CA GLY A 21 -1.808 -12.476 -29.331 1.00 71.14 C ATOM 271 C GLY A 21 -3.012 -13.288 -28.897 1.00 53.04 C ATOM 272 O GLY A 21 -4.013 -12.749 -28.423 1.00 62.42 O ATOM 0 H GLY A 21 -1.445 -10.596 -28.483 1.00 12.41 H new ATOM 0 HA2 GLY A 21 -1.574 -12.706 -30.371 1.00 71.14 H new ATOM 0 HA3 GLY A 21 -0.942 -12.770 -28.737 1.00 71.14 H new ATOM 276 N PRO A 22 -2.925 -14.616 -29.061 1.00 33.53 N ATOM 277 CA PRO A 22 -4.008 -15.532 -28.689 1.00 71.34 C ATOM 278 C PRO A 22 -4.191 -15.631 -27.179 1.00 31.42 C ATOM 279 O PRO A 22 -3.238 -15.477 -26.417 1.00 1.53 O ATOM 280 CB PRO A 22 -3.548 -16.876 -29.262 1.00 13.54 C ATOM 281 CG PRO A 22 -2.064 -16.771 -29.328 1.00 3.03 C ATOM 282 CD PRO A 22 -1.763 -15.327 -29.620 1.00 1.13 C ATOM 0 HA PRO A 22 -4.973 -15.198 -29.070 1.00 71.34 H new ATOM 0 HB2 PRO A 22 -3.858 -17.705 -28.626 1.00 13.54 H new ATOM 0 HB3 PRO A 22 -3.977 -17.053 -30.248 1.00 13.54 H new ATOM 0 HG2 PRO A 22 -1.609 -17.082 -28.388 1.00 3.03 H new ATOM 0 HG3 PRO A 22 -1.661 -17.419 -30.107 1.00 3.03 H new ATOM 0 HD2 PRO A 22 -0.833 -15.008 -29.150 1.00 1.13 H new ATOM 0 HD3 PRO A 22 -1.658 -15.147 -30.690 1.00 1.13 H new ATOM 290 N GLY A 23 -5.423 -15.891 -26.752 1.00 75.12 N ATOM 291 CA GLY A 23 -5.709 -16.007 -25.334 1.00 5.30 C ATOM 292 C GLY A 23 -7.096 -15.510 -24.979 1.00 41.21 C ATOM 293 O GLY A 23 -7.971 -15.382 -25.836 1.00 21.12 O ATOM 0 H GLY A 23 -6.229 -16.023 -27.363 1.00 75.12 H new ATOM 0 HA2 GLY A 23 -5.612 -17.050 -25.031 1.00 5.30 H new ATOM 0 HA3 GLY A 23 -4.968 -15.441 -24.770 1.00 5.30 H new ATOM 297 N PRO A 24 -7.313 -15.221 -23.687 1.00 60.43 N ATOM 298 CA PRO A 24 -6.279 -15.370 -22.658 1.00 73.15 C ATOM 299 C PRO A 24 -5.947 -16.832 -22.378 1.00 2.52 C ATOM 300 O PRO A 24 -6.836 -17.641 -22.115 1.00 12.11 O ATOM 301 CB PRO A 24 -6.910 -14.719 -21.425 1.00 51.22 C ATOM 302 CG PRO A 24 -8.379 -14.834 -21.645 1.00 41.14 C ATOM 303 CD PRO A 24 -8.584 -14.729 -23.131 1.00 54.43 C ATOM 0 HA PRO A 24 -5.335 -14.917 -22.960 1.00 73.15 H new ATOM 0 HB2 PRO A 24 -6.606 -15.227 -20.510 1.00 51.22 H new ATOM 0 HB3 PRO A 24 -6.605 -13.677 -21.328 1.00 51.22 H new ATOM 0 HG2 PRO A 24 -8.758 -15.783 -21.265 1.00 41.14 H new ATOM 0 HG3 PRO A 24 -8.915 -14.044 -21.120 1.00 41.14 H new ATOM 0 HD2 PRO A 24 -9.428 -15.333 -23.464 1.00 54.43 H new ATOM 0 HD3 PRO A 24 -8.786 -13.703 -23.437 1.00 54.43 H new ATOM 311 N SER A 25 -4.661 -17.163 -22.435 1.00 3.42 N ATOM 312 CA SER A 25 -4.211 -18.528 -22.190 1.00 13.02 C ATOM 313 C SER A 25 -4.479 -18.937 -20.744 1.00 42.24 C ATOM 314 O SER A 25 -4.734 -18.104 -19.874 1.00 21.41 O ATOM 315 CB SER A 25 -2.719 -18.660 -22.501 1.00 53.12 C ATOM 316 OG SER A 25 -2.046 -17.428 -22.305 1.00 75.31 O ATOM 0 H SER A 25 -3.912 -16.504 -22.649 1.00 3.42 H new ATOM 0 HA SER A 25 -4.772 -19.192 -22.848 1.00 13.02 H new ATOM 0 HB2 SER A 25 -2.277 -19.425 -21.862 1.00 53.12 H new ATOM 0 HB3 SER A 25 -2.587 -18.990 -23.531 1.00 53.12 H new ATOM 0 HG SER A 25 -1.094 -17.539 -22.509 1.00 75.31 H new ATOM 322 N PRO A 26 -4.420 -20.251 -20.482 1.00 5.25 N ATOM 323 CA PRO A 26 -4.652 -20.801 -19.143 1.00 22.50 C ATOM 324 C PRO A 26 -3.528 -20.457 -18.171 1.00 53.33 C ATOM 325 O PRO A 26 -3.754 -20.329 -16.968 1.00 52.24 O ATOM 326 CB PRO A 26 -4.705 -22.312 -19.385 1.00 64.02 C ATOM 327 CG PRO A 26 -3.907 -22.525 -20.625 1.00 42.02 C ATOM 328 CD PRO A 26 -4.121 -21.300 -21.471 1.00 4.04 C ATOM 0 HA PRO A 26 -5.555 -20.396 -18.687 1.00 22.50 H new ATOM 0 HB2 PRO A 26 -4.284 -22.863 -18.544 1.00 64.02 H new ATOM 0 HB3 PRO A 26 -5.731 -22.657 -19.510 1.00 64.02 H new ATOM 0 HG2 PRO A 26 -2.851 -22.658 -20.391 1.00 42.02 H new ATOM 0 HG3 PRO A 26 -4.233 -23.423 -21.149 1.00 42.02 H new ATOM 0 HD2 PRO A 26 -3.236 -21.058 -22.059 1.00 4.04 H new ATOM 0 HD3 PRO A 26 -4.943 -21.436 -22.174 1.00 4.04 H new ATOM 336 N GLN A 27 -2.319 -20.307 -18.701 1.00 63.55 N ATOM 337 CA GLN A 27 -1.160 -19.978 -17.880 1.00 13.45 C ATOM 338 C GLN A 27 -1.171 -18.503 -17.490 1.00 74.11 C ATOM 339 O GLN A 27 -0.651 -18.123 -16.441 1.00 22.33 O ATOM 340 CB GLN A 27 0.133 -20.310 -18.626 1.00 74.50 C ATOM 341 CG GLN A 27 0.214 -21.757 -19.086 1.00 43.02 C ATOM 342 CD GLN A 27 1.452 -22.036 -19.916 1.00 72.41 C ATOM 343 OE1 GLN A 27 2.302 -22.840 -19.532 1.00 62.15 O ATOM 344 NE2 GLN A 27 1.559 -21.373 -21.061 1.00 42.23 N ATOM 0 H GLN A 27 -2.116 -20.408 -19.696 1.00 63.55 H new ATOM 0 HA GLN A 27 -1.210 -20.577 -16.971 1.00 13.45 H new ATOM 0 HB2 GLN A 27 0.221 -19.656 -19.494 1.00 74.50 H new ATOM 0 HB3 GLN A 27 0.982 -20.095 -17.978 1.00 74.50 H new ATOM 0 HG2 GLN A 27 0.210 -22.412 -18.215 1.00 43.02 H new ATOM 0 HG3 GLN A 27 -0.673 -21.999 -19.671 1.00 43.02 H new ATOM 0 HE21 GLN A 27 0.830 -20.716 -21.340 1.00 42.23 H new ATOM 0 HE22 GLN A 27 2.370 -21.521 -21.662 1.00 42.23 H new ATOM 353 N CYS A 28 -1.768 -17.676 -18.342 1.00 5.30 N ATOM 354 CA CYS A 28 -1.846 -16.242 -18.088 1.00 71.23 C ATOM 355 C CYS A 28 -2.847 -15.941 -16.976 1.00 42.34 C ATOM 356 O CYS A 28 -2.537 -15.224 -16.024 1.00 63.03 O ATOM 357 CB CYS A 28 -2.245 -15.498 -19.364 1.00 74.43 C ATOM 358 SG CYS A 28 -3.150 -13.945 -19.067 1.00 71.44 S ATOM 0 H CYS A 28 -2.205 -17.974 -19.214 1.00 5.30 H new ATOM 0 HA CYS A 28 -0.861 -15.900 -17.769 1.00 71.23 H new ATOM 0 HB2 CYS A 28 -1.346 -15.278 -19.940 1.00 74.43 H new ATOM 0 HB3 CYS A 28 -2.863 -16.155 -19.977 1.00 74.43 H new ATOM 363 N CYS A 29 -4.049 -16.493 -17.104 1.00 43.20 N ATOM 364 CA CYS A 29 -5.096 -16.284 -16.112 1.00 30.04 C ATOM 365 C CYS A 29 -4.576 -16.566 -14.705 1.00 35.42 C ATOM 366 O CYS A 29 -4.974 -15.913 -13.742 1.00 14.53 O ATOM 367 CB CYS A 29 -6.299 -17.180 -16.412 1.00 62.54 C ATOM 368 SG CYS A 29 -7.326 -16.605 -17.803 1.00 22.04 S ATOM 0 H CYS A 29 -4.322 -17.089 -17.886 1.00 43.20 H new ATOM 0 HA CYS A 29 -5.407 -15.241 -16.163 1.00 30.04 H new ATOM 0 HB2 CYS A 29 -5.943 -18.187 -16.629 1.00 62.54 H new ATOM 0 HB3 CYS A 29 -6.920 -17.247 -15.519 1.00 62.54 H new ATOM 373 N GLY A 30 -3.684 -17.546 -14.595 1.00 1.10 N ATOM 374 CA GLY A 30 -3.124 -17.898 -13.303 1.00 51.12 C ATOM 375 C GLY A 30 -2.504 -16.709 -12.596 1.00 52.25 C ATOM 376 O GLY A 30 -2.690 -16.527 -11.394 1.00 44.40 O ATOM 0 H GLY A 30 -3.339 -18.102 -15.377 1.00 1.10 H new ATOM 0 HA2 GLY A 30 -3.907 -18.323 -12.675 1.00 51.12 H new ATOM 0 HA3 GLY A 30 -2.368 -18.672 -13.437 1.00 51.12 H new ATOM 380 N GLY A 31 -1.763 -15.897 -13.345 1.00 74.23 N ATOM 381 CA GLY A 31 -1.124 -14.731 -12.765 1.00 43.25 C ATOM 382 C GLY A 31 -2.103 -13.604 -12.500 1.00 22.51 C ATOM 383 O GLY A 31 -2.031 -12.941 -11.465 1.00 55.04 O ATOM 0 H GLY A 31 -1.594 -16.026 -14.343 1.00 74.23 H new ATOM 0 HA2 GLY A 31 -0.639 -15.014 -11.831 1.00 43.25 H new ATOM 0 HA3 GLY A 31 -0.341 -14.378 -13.437 1.00 43.25 H new ATOM 387 N VAL A 32 -3.020 -13.386 -13.437 1.00 63.12 N ATOM 388 CA VAL A 32 -4.017 -12.332 -13.300 1.00 13.30 C ATOM 389 C VAL A 32 -4.725 -12.416 -11.952 1.00 63.52 C ATOM 390 O VAL A 32 -4.927 -11.405 -11.280 1.00 31.23 O ATOM 391 CB VAL A 32 -5.068 -12.403 -14.424 1.00 43.01 C ATOM 392 CG1 VAL A 32 -6.114 -11.314 -14.247 1.00 54.40 C ATOM 393 CG2 VAL A 32 -4.398 -12.294 -15.786 1.00 34.41 C ATOM 0 H VAL A 32 -3.093 -13.926 -14.299 1.00 63.12 H new ATOM 0 HA VAL A 32 -3.485 -11.383 -13.369 1.00 13.30 H new ATOM 0 HB VAL A 32 -5.571 -13.368 -14.367 1.00 43.01 H new ATOM 0 HG11 VAL A 32 -6.848 -11.380 -15.050 1.00 54.40 H new ATOM 0 HG12 VAL A 32 -6.614 -11.443 -13.287 1.00 54.40 H new ATOM 0 HG13 VAL A 32 -5.631 -10.337 -14.276 1.00 54.40 H new ATOM 0 HG21 VAL A 32 -5.155 -12.346 -16.569 1.00 34.41 H new ATOM 0 HG22 VAL A 32 -3.868 -11.344 -15.856 1.00 34.41 H new ATOM 0 HG23 VAL A 32 -3.691 -13.114 -15.910 1.00 34.41 H new ATOM 403 N LYS A 33 -5.099 -13.630 -11.562 1.00 61.20 N ATOM 404 CA LYS A 33 -5.783 -13.850 -10.293 1.00 43.41 C ATOM 405 C LYS A 33 -4.871 -13.512 -9.118 1.00 42.40 C ATOM 406 O LYS A 33 -5.295 -12.877 -8.152 1.00 21.11 O ATOM 407 CB LYS A 33 -6.251 -15.303 -10.187 1.00 53.42 C ATOM 408 CG LYS A 33 -7.236 -15.705 -11.271 1.00 53.43 C ATOM 409 CD LYS A 33 -7.066 -17.162 -11.668 1.00 5.55 C ATOM 410 CE LYS A 33 -8.195 -17.629 -12.572 1.00 71.14 C ATOM 411 NZ LYS A 33 -9.218 -18.411 -11.824 1.00 63.31 N ATOM 0 H LYS A 33 -4.940 -14.477 -12.107 1.00 61.20 H new ATOM 0 HA LYS A 33 -6.651 -13.192 -10.258 1.00 43.41 H new ATOM 0 HB2 LYS A 33 -5.383 -15.960 -10.235 1.00 53.42 H new ATOM 0 HB3 LYS A 33 -6.714 -15.457 -9.212 1.00 53.42 H new ATOM 0 HG2 LYS A 33 -8.254 -15.540 -10.918 1.00 53.43 H new ATOM 0 HG3 LYS A 33 -7.095 -15.070 -12.146 1.00 53.43 H new ATOM 0 HD2 LYS A 33 -6.112 -17.292 -12.179 1.00 5.55 H new ATOM 0 HD3 LYS A 33 -7.035 -17.783 -10.773 1.00 5.55 H new ATOM 0 HE2 LYS A 33 -8.668 -16.765 -13.038 1.00 71.14 H new ATOM 0 HE3 LYS A 33 -7.787 -18.241 -13.376 1.00 71.14 H new ATOM 0 HZ1 LYS A 33 -9.971 -18.711 -12.476 1.00 63.31 H new ATOM 0 HZ2 LYS A 33 -8.772 -19.250 -11.400 1.00 63.31 H new ATOM 0 HZ3 LYS A 33 -9.626 -17.819 -11.073 1.00 63.31 H new ATOM 425 N LYS A 34 -3.616 -13.938 -9.207 1.00 64.04 N ATOM 426 CA LYS A 34 -2.642 -13.679 -8.154 1.00 1.45 C ATOM 427 C LYS A 34 -2.414 -12.180 -7.980 1.00 60.42 C ATOM 428 O LYS A 34 -2.304 -11.685 -6.858 1.00 3.40 O ATOM 429 CB LYS A 34 -1.316 -14.373 -8.473 1.00 73.32 C ATOM 430 CG LYS A 34 -0.216 -14.075 -7.470 1.00 3.31 C ATOM 431 CD LYS A 34 0.718 -15.261 -7.297 1.00 33.14 C ATOM 432 CE LYS A 34 2.064 -14.833 -6.734 1.00 23.24 C ATOM 433 NZ LYS A 34 3.015 -15.976 -6.640 1.00 52.20 N ATOM 0 H LYS A 34 -3.249 -14.465 -9.999 1.00 64.04 H new ATOM 0 HA LYS A 34 -3.039 -14.080 -7.221 1.00 1.45 H new ATOM 0 HB2 LYS A 34 -1.479 -15.450 -8.511 1.00 73.32 H new ATOM 0 HB3 LYS A 34 -0.984 -14.066 -9.465 1.00 73.32 H new ATOM 0 HG2 LYS A 34 0.354 -13.207 -7.801 1.00 3.31 H new ATOM 0 HG3 LYS A 34 -0.660 -13.817 -6.508 1.00 3.31 H new ATOM 0 HD2 LYS A 34 0.260 -15.992 -6.631 1.00 33.14 H new ATOM 0 HD3 LYS A 34 0.865 -15.753 -8.258 1.00 33.14 H new ATOM 0 HE2 LYS A 34 2.492 -14.056 -7.367 1.00 23.24 H new ATOM 0 HE3 LYS A 34 1.922 -14.397 -5.745 1.00 23.24 H new ATOM 0 HZ1 LYS A 34 3.921 -15.643 -6.252 1.00 52.20 H new ATOM 0 HZ2 LYS A 34 2.618 -16.707 -6.016 1.00 52.20 H new ATOM 0 HZ3 LYS A 34 3.171 -16.377 -7.587 1.00 52.20 H new ATOM 447 N LEU A 35 -2.346 -11.464 -9.097 1.00 3.02 N ATOM 448 CA LEU A 35 -2.133 -10.021 -9.068 1.00 64.12 C ATOM 449 C LEU A 35 -3.336 -9.305 -8.463 1.00 43.24 C ATOM 450 O LEU A 35 -3.195 -8.504 -7.538 1.00 45.12 O ATOM 451 CB LEU A 35 -1.869 -9.497 -10.481 1.00 15.41 C ATOM 452 CG LEU A 35 -1.826 -7.976 -10.635 1.00 5.12 C ATOM 453 CD1 LEU A 35 -0.842 -7.368 -9.647 1.00 43.45 C ATOM 454 CD2 LEU A 35 -1.457 -7.595 -12.061 1.00 50.32 C ATOM 0 H LEU A 35 -2.435 -11.859 -10.033 1.00 3.02 H new ATOM 0 HA LEU A 35 -1.263 -9.819 -8.444 1.00 64.12 H new ATOM 0 HB2 LEU A 35 -0.919 -9.904 -10.826 1.00 15.41 H new ATOM 0 HB3 LEU A 35 -2.642 -9.888 -11.142 1.00 15.41 H new ATOM 0 HG LEU A 35 -2.818 -7.579 -10.419 1.00 5.12 H new ATOM 0 HD11 LEU A 35 -0.824 -6.285 -9.771 1.00 43.45 H new ATOM 0 HD12 LEU A 35 -1.150 -7.612 -8.630 1.00 43.45 H new ATOM 0 HD13 LEU A 35 0.154 -7.770 -9.831 1.00 43.45 H new ATOM 0 HD21 LEU A 35 -1.431 -6.509 -12.152 1.00 50.32 H new ATOM 0 HD22 LEU A 35 -0.476 -8.003 -12.304 1.00 50.32 H new ATOM 0 HD23 LEU A 35 -2.199 -7.999 -12.749 1.00 50.32 H new ATOM 466 N LEU A 36 -4.519 -9.599 -8.990 1.00 32.41 N ATOM 467 CA LEU A 36 -5.749 -8.985 -8.501 1.00 23.35 C ATOM 468 C LEU A 36 -6.033 -9.407 -7.062 1.00 41.15 C ATOM 469 O LEU A 36 -6.688 -8.685 -6.312 1.00 35.13 O ATOM 470 CB LEU A 36 -6.926 -9.369 -9.399 1.00 11.23 C ATOM 471 CG LEU A 36 -6.934 -8.749 -10.796 1.00 41.34 C ATOM 472 CD1 LEU A 36 -7.996 -9.405 -11.665 1.00 43.54 C ATOM 473 CD2 LEU A 36 -7.164 -7.247 -10.712 1.00 41.22 C ATOM 0 H LEU A 36 -4.653 -10.259 -9.756 1.00 32.41 H new ATOM 0 HA LEU A 36 -5.620 -7.903 -8.524 1.00 23.35 H new ATOM 0 HB2 LEU A 36 -6.938 -10.454 -9.505 1.00 11.23 H new ATOM 0 HB3 LEU A 36 -7.850 -9.088 -8.893 1.00 11.23 H new ATOM 0 HG LEU A 36 -5.961 -8.922 -11.255 1.00 41.34 H new ATOM 0 HD11 LEU A 36 -7.987 -8.951 -12.656 1.00 43.54 H new ATOM 0 HD12 LEU A 36 -7.787 -10.471 -11.753 1.00 43.54 H new ATOM 0 HD13 LEU A 36 -8.976 -9.264 -11.210 1.00 43.54 H new ATOM 0 HD21 LEU A 36 -7.167 -6.823 -11.716 1.00 41.22 H new ATOM 0 HD22 LEU A 36 -8.124 -7.052 -10.233 1.00 41.22 H new ATOM 0 HD23 LEU A 36 -6.367 -6.789 -10.127 1.00 41.22 H new ATOM 485 N ALA A 37 -5.533 -10.579 -6.685 1.00 73.22 N ATOM 486 CA ALA A 37 -5.730 -11.095 -5.336 1.00 42.21 C ATOM 487 C ALA A 37 -5.041 -10.208 -4.304 1.00 33.41 C ATOM 488 O ALA A 37 -5.487 -10.109 -3.161 1.00 53.43 O ATOM 489 CB ALA A 37 -5.214 -12.523 -5.236 1.00 50.24 C ATOM 0 H ALA A 37 -4.989 -11.189 -7.295 1.00 73.22 H new ATOM 0 HA ALA A 37 -6.799 -11.092 -5.125 1.00 42.21 H new ATOM 0 HB1 ALA A 37 -5.368 -12.895 -4.223 1.00 50.24 H new ATOM 0 HB2 ALA A 37 -5.754 -13.155 -5.941 1.00 50.24 H new ATOM 0 HB3 ALA A 37 -4.150 -12.543 -5.472 1.00 50.24 H new ATOM 495 N ALA A 38 -3.952 -9.567 -4.714 1.00 22.10 N ATOM 496 CA ALA A 38 -3.203 -8.688 -3.825 1.00 23.12 C ATOM 497 C ALA A 38 -3.801 -7.286 -3.807 1.00 52.41 C ATOM 498 O ALA A 38 -3.888 -6.651 -2.756 1.00 52.04 O ATOM 499 CB ALA A 38 -1.741 -8.635 -4.244 1.00 1.13 C ATOM 0 H ALA A 38 -3.569 -9.640 -5.656 1.00 22.10 H new ATOM 0 HA ALA A 38 -3.266 -9.094 -2.815 1.00 23.12 H new ATOM 0 HB1 ALA A 38 -1.193 -7.975 -3.571 1.00 1.13 H new ATOM 0 HB2 ALA A 38 -1.313 -9.636 -4.198 1.00 1.13 H new ATOM 0 HB3 ALA A 38 -1.668 -8.256 -5.263 1.00 1.13 H new ATOM 505 N ALA A 39 -4.212 -6.808 -4.977 1.00 43.42 N ATOM 506 CA ALA A 39 -4.803 -5.481 -5.095 1.00 51.33 C ATOM 507 C ALA A 39 -6.311 -5.530 -4.876 1.00 33.33 C ATOM 508 O ALA A 39 -7.088 -5.501 -5.829 1.00 40.32 O ATOM 509 CB ALA A 39 -4.486 -4.881 -6.457 1.00 5.41 C ATOM 0 H ALA A 39 -4.146 -7.320 -5.857 1.00 43.42 H new ATOM 0 HA ALA A 39 -4.370 -4.848 -4.321 1.00 51.33 H new ATOM 0 HB1 ALA A 39 -4.934 -3.890 -6.531 1.00 5.41 H new ATOM 0 HB2 ALA A 39 -3.406 -4.801 -6.577 1.00 5.41 H new ATOM 0 HB3 ALA A 39 -4.891 -5.522 -7.240 1.00 5.41 H new ATOM 515 N ASN A 40 -6.719 -5.607 -3.613 1.00 4.31 N ATOM 516 CA ASN A 40 -8.135 -5.662 -3.269 1.00 3.15 C ATOM 517 C ASN A 40 -8.452 -4.713 -2.117 1.00 2.21 C ATOM 518 O ASN A 40 -9.568 -4.701 -1.596 1.00 24.23 O ATOM 519 CB ASN A 40 -8.534 -7.090 -2.892 1.00 30.11 C ATOM 520 CG ASN A 40 -10.010 -7.357 -3.119 1.00 4.44 C ATOM 521 OD1 ASN A 40 -10.583 -6.926 -4.119 1.00 51.12 O ATOM 522 ND2 ASN A 40 -10.632 -8.070 -2.187 1.00 43.21 N ATOM 0 H ASN A 40 -6.089 -5.633 -2.811 1.00 4.31 H new ATOM 0 HA ASN A 40 -8.708 -5.350 -4.142 1.00 3.15 H new ATOM 0 HB2 ASN A 40 -7.946 -7.796 -3.478 1.00 30.11 H new ATOM 0 HB3 ASN A 40 -8.292 -7.267 -1.844 1.00 30.11 H new ATOM 0 HD21 ASN A 40 -11.625 -8.281 -2.284 1.00 43.21 H new ATOM 0 HD22 ASN A 40 -10.116 -8.407 -1.374 1.00 43.21 H new ATOM 529 N THR A 41 -7.462 -3.916 -1.724 1.00 35.42 N ATOM 530 CA THR A 41 -7.635 -2.964 -0.634 1.00 61.11 C ATOM 531 C THR A 41 -7.845 -1.551 -1.167 1.00 23.34 C ATOM 532 O THR A 41 -8.966 -1.042 -1.183 1.00 30.24 O ATOM 533 CB THR A 41 -6.420 -2.968 0.313 1.00 32.41 C ATOM 534 OG1 THR A 41 -5.264 -3.457 -0.375 1.00 62.53 O ATOM 535 CG2 THR A 41 -6.691 -3.831 1.536 1.00 20.15 C ATOM 0 H THR A 41 -6.533 -3.911 -2.145 1.00 35.42 H new ATOM 0 HA THR A 41 -8.520 -3.276 -0.079 1.00 61.11 H new ATOM 0 HB THR A 41 -6.240 -1.945 0.642 1.00 32.41 H new ATOM 0 HG1 THR A 41 -4.496 -3.455 0.234 1.00 62.53 H new ATOM 0 HG21 THR A 41 -5.819 -3.819 2.190 1.00 20.15 H new ATOM 0 HG22 THR A 41 -7.554 -3.439 2.074 1.00 20.15 H new ATOM 0 HG23 THR A 41 -6.894 -4.855 1.221 1.00 20.15 H new ATOM 543 N THR A 42 -6.759 -0.921 -1.603 1.00 43.14 N ATOM 544 CA THR A 42 -6.824 0.434 -2.136 1.00 61.15 C ATOM 545 C THR A 42 -5.442 0.932 -2.543 1.00 23.11 C ATOM 546 O THR A 42 -5.203 1.305 -3.692 1.00 2.14 O ATOM 547 CB THR A 42 -7.429 1.412 -1.112 1.00 2.30 C ATOM 548 OG1 THR A 42 -8.850 1.478 -1.277 1.00 23.53 O ATOM 549 CG2 THR A 42 -6.830 2.802 -1.272 1.00 33.32 C ATOM 0 H THR A 42 -5.824 -1.328 -1.597 1.00 43.14 H new ATOM 0 HA THR A 42 -7.467 0.397 -3.015 1.00 61.15 H new ATOM 0 HB THR A 42 -7.197 1.046 -0.112 1.00 2.30 H new ATOM 0 HG1 THR A 42 -9.185 0.609 -1.583 1.00 23.53 H new ATOM 0 HG21 THR A 42 -7.273 3.476 -0.538 1.00 33.32 H new ATOM 0 HG22 THR A 42 -5.752 2.754 -1.117 1.00 33.32 H new ATOM 0 HG23 THR A 42 -7.036 3.173 -2.276 1.00 33.32 H new ATOM 557 N PRO A 43 -4.507 0.938 -1.580 1.00 55.44 N ATOM 558 CA PRO A 43 -3.132 1.387 -1.815 1.00 41.34 C ATOM 559 C PRO A 43 -2.351 0.424 -2.703 1.00 32.23 C ATOM 560 O PRO A 43 -1.317 0.783 -3.266 1.00 21.15 O ATOM 561 CB PRO A 43 -2.527 1.429 -0.410 1.00 34.13 C ATOM 562 CG PRO A 43 -3.330 0.451 0.377 1.00 61.31 C ATOM 563 CD PRO A 43 -4.722 0.507 -0.189 1.00 10.32 C ATOM 0 HA PRO A 43 -3.100 2.344 -2.336 1.00 41.34 H new ATOM 0 HB2 PRO A 43 -1.472 1.155 -0.425 1.00 34.13 H new ATOM 0 HB3 PRO A 43 -2.590 2.429 0.019 1.00 34.13 H new ATOM 0 HG2 PRO A 43 -2.914 -0.553 0.292 1.00 61.31 H new ATOM 0 HG3 PRO A 43 -3.329 0.708 1.436 1.00 61.31 H new ATOM 0 HD2 PRO A 43 -5.215 -0.464 -0.141 1.00 10.32 H new ATOM 0 HD3 PRO A 43 -5.350 1.211 0.357 1.00 10.32 H new ATOM 571 N ASP A 44 -2.853 -0.800 -2.824 1.00 20.35 N ATOM 572 CA ASP A 44 -2.203 -1.815 -3.644 1.00 60.52 C ATOM 573 C ASP A 44 -2.630 -1.690 -5.103 1.00 75.32 C ATOM 574 O ASP A 44 -1.843 -1.945 -6.015 1.00 12.31 O ATOM 575 CB ASP A 44 -2.534 -3.214 -3.121 1.00 14.11 C ATOM 576 CG ASP A 44 -1.510 -3.716 -2.123 1.00 22.51 C ATOM 577 OD1 ASP A 44 -1.418 -4.948 -1.935 1.00 53.12 O ATOM 578 OD2 ASP A 44 -0.799 -2.878 -1.530 1.00 61.52 O ATOM 0 H ASP A 44 -3.708 -1.113 -2.365 1.00 20.35 H new ATOM 0 HA ASP A 44 -1.126 -1.659 -3.584 1.00 60.52 H new ATOM 0 HB2 ASP A 44 -3.518 -3.200 -2.652 1.00 14.11 H new ATOM 0 HB3 ASP A 44 -2.591 -3.908 -3.959 1.00 14.11 H new ATOM 583 N ARG A 45 -3.882 -1.298 -5.316 1.00 73.02 N ATOM 584 CA ARG A 45 -4.415 -1.142 -6.664 1.00 50.52 C ATOM 585 C ARG A 45 -3.840 0.102 -7.335 1.00 44.32 C ATOM 586 O ARG A 45 -3.499 0.079 -8.517 1.00 45.14 O ATOM 587 CB ARG A 45 -5.942 -1.053 -6.625 1.00 43.11 C ATOM 588 CG ARG A 45 -6.582 -2.010 -5.633 1.00 72.35 C ATOM 589 CD ARG A 45 -7.777 -2.727 -6.243 1.00 50.30 C ATOM 590 NE ARG A 45 -8.858 -1.803 -6.576 1.00 1.32 N ATOM 591 CZ ARG A 45 -9.661 -1.254 -5.671 1.00 24.24 C ATOM 592 NH1 ARG A 45 -9.504 -1.535 -4.384 1.00 55.03 N ATOM 593 NH2 ARG A 45 -10.622 -0.422 -6.052 1.00 24.35 N ATOM 0 H ARG A 45 -4.546 -1.083 -4.572 1.00 73.02 H new ATOM 0 HA ARG A 45 -4.123 -2.016 -7.246 1.00 50.52 H new ATOM 0 HB2 ARG A 45 -6.232 -0.033 -6.372 1.00 43.11 H new ATOM 0 HB3 ARG A 45 -6.335 -1.258 -7.621 1.00 43.11 H new ATOM 0 HG2 ARG A 45 -5.845 -2.743 -5.305 1.00 72.35 H new ATOM 0 HG3 ARG A 45 -6.900 -1.459 -4.747 1.00 72.35 H new ATOM 0 HD2 ARG A 45 -7.462 -3.256 -7.143 1.00 50.30 H new ATOM 0 HD3 ARG A 45 -8.145 -3.478 -5.544 1.00 50.30 H new ATOM 0 HE ARG A 45 -9.005 -1.566 -7.557 1.00 1.32 H new ATOM 0 HH11 ARG A 45 -8.766 -2.174 -4.088 1.00 55.03 H new ATOM 0 HH12 ARG A 45 -10.121 -1.113 -3.691 1.00 55.03 H new ATOM 0 HH21 ARG A 45 -10.745 -0.203 -7.041 1.00 24.35 H new ATOM 0 HH22 ARG A 45 -11.238 -0.001 -5.356 1.00 24.35 H new ATOM 607 N GLN A 46 -3.736 1.186 -6.572 1.00 61.42 N ATOM 608 CA GLN A 46 -3.203 2.439 -7.094 1.00 32.41 C ATOM 609 C GLN A 46 -1.828 2.227 -7.718 1.00 41.44 C ATOM 610 O GLN A 46 -1.597 2.589 -8.872 1.00 10.44 O ATOM 611 CB GLN A 46 -3.116 3.483 -5.980 1.00 5.12 C ATOM 612 CG GLN A 46 -4.471 3.933 -5.460 1.00 12.41 C ATOM 613 CD GLN A 46 -4.484 5.393 -5.052 1.00 54.52 C ATOM 614 OE1 GLN A 46 -3.583 6.156 -5.402 1.00 23.32 O ATOM 615 NE2 GLN A 46 -5.510 5.792 -4.309 1.00 30.54 N ATOM 0 H GLN A 46 -4.014 1.222 -5.591 1.00 61.42 H new ATOM 0 HA GLN A 46 -3.881 2.800 -7.868 1.00 32.41 H new ATOM 0 HB2 GLN A 46 -2.537 3.072 -5.153 1.00 5.12 H new ATOM 0 HB3 GLN A 46 -2.571 4.352 -6.350 1.00 5.12 H new ATOM 0 HG2 GLN A 46 -5.224 3.768 -6.230 1.00 12.41 H new ATOM 0 HG3 GLN A 46 -4.750 3.318 -4.604 1.00 12.41 H new ATOM 0 HE21 GLN A 46 -6.235 5.126 -4.041 1.00 30.54 H new ATOM 0 HE22 GLN A 46 -5.573 6.764 -4.006 1.00 30.54 H new ATOM 624 N ALA A 47 -0.918 1.640 -6.949 1.00 21.44 N ATOM 625 CA ALA A 47 0.434 1.379 -7.427 1.00 70.20 C ATOM 626 C ALA A 47 0.425 0.386 -8.585 1.00 13.24 C ATOM 627 O ALA A 47 0.856 0.706 -9.692 1.00 72.30 O ATOM 628 CB ALA A 47 1.305 0.861 -6.292 1.00 32.20 C ATOM 0 H ALA A 47 -1.092 1.336 -5.991 1.00 21.44 H new ATOM 0 HA ALA A 47 0.851 2.318 -7.791 1.00 70.20 H new ATOM 0 HB1 ALA A 47 2.312 0.670 -6.664 1.00 32.20 H new ATOM 0 HB2 ALA A 47 1.347 1.605 -5.497 1.00 32.20 H new ATOM 0 HB3 ALA A 47 0.881 -0.064 -5.901 1.00 32.20 H new ATOM 634 N ALA A 48 -0.069 -0.819 -8.320 1.00 62.24 N ATOM 635 CA ALA A 48 -0.135 -1.858 -9.341 1.00 11.02 C ATOM 636 C ALA A 48 -0.719 -1.314 -10.640 1.00 72.53 C ATOM 637 O ALA A 48 -0.262 -1.659 -11.731 1.00 31.25 O ATOM 638 CB ALA A 48 -0.958 -3.036 -8.842 1.00 34.12 C ATOM 0 H ALA A 48 -0.429 -1.100 -7.408 1.00 62.24 H new ATOM 0 HA ALA A 48 0.880 -2.199 -9.545 1.00 11.02 H new ATOM 0 HB1 ALA A 48 -0.999 -3.804 -9.614 1.00 34.12 H new ATOM 0 HB2 ALA A 48 -0.497 -3.448 -7.944 1.00 34.12 H new ATOM 0 HB3 ALA A 48 -1.969 -2.701 -8.609 1.00 34.12 H new ATOM 644 N CYS A 49 -1.732 -0.464 -10.518 1.00 14.42 N ATOM 645 CA CYS A 49 -2.381 0.127 -11.682 1.00 44.24 C ATOM 646 C CYS A 49 -1.426 1.060 -12.422 1.00 24.03 C ATOM 647 O CYS A 49 -0.994 0.767 -13.536 1.00 22.23 O ATOM 648 CB CYS A 49 -3.635 0.894 -11.260 1.00 0.45 C ATOM 649 SG CYS A 49 -4.652 1.481 -12.652 1.00 53.31 S ATOM 0 H CYS A 49 -2.122 -0.168 -9.623 1.00 14.42 H new ATOM 0 HA CYS A 49 -2.667 -0.681 -12.355 1.00 44.24 H new ATOM 0 HB2 CYS A 49 -4.244 0.251 -10.625 1.00 0.45 H new ATOM 0 HB3 CYS A 49 -3.338 1.750 -10.655 1.00 0.45 H new ATOM 654 N ASN A 50 -1.100 2.185 -11.793 1.00 34.34 N ATOM 655 CA ASN A 50 -0.197 3.161 -12.390 1.00 62.03 C ATOM 656 C ASN A 50 1.033 2.476 -12.978 1.00 22.43 C ATOM 657 O ASN A 50 1.318 2.601 -14.169 1.00 41.20 O ATOM 658 CB ASN A 50 0.231 4.196 -11.348 1.00 22.11 C ATOM 659 CG ASN A 50 -0.951 4.913 -10.725 1.00 73.43 C ATOM 660 OD1 ASN A 50 -1.924 5.237 -11.407 1.00 20.31 O ATOM 661 ND2 ASN A 50 -0.872 5.164 -9.424 1.00 34.33 N ATOM 0 H ASN A 50 -1.448 2.443 -10.870 1.00 34.34 H new ATOM 0 HA ASN A 50 -0.730 3.666 -13.196 1.00 62.03 H new ATOM 0 HB2 ASN A 50 0.807 3.702 -10.565 1.00 22.11 H new ATOM 0 HB3 ASN A 50 0.890 4.927 -11.816 1.00 22.11 H new ATOM 0 HD21 ASN A 50 -1.637 5.644 -8.950 1.00 34.33 H new ATOM 0 HD22 ASN A 50 -0.046 4.877 -8.898 1.00 34.33 H new ATOM 668 N CYS A 51 1.759 1.750 -12.134 1.00 32.43 N ATOM 669 CA CYS A 51 2.958 1.043 -12.567 1.00 42.54 C ATOM 670 C CYS A 51 2.687 0.237 -13.834 1.00 75.00 C ATOM 671 O CYS A 51 3.549 0.118 -14.705 1.00 5.41 O ATOM 672 CB CYS A 51 3.459 0.117 -11.458 1.00 4.35 C ATOM 673 SG CYS A 51 4.706 0.873 -10.365 1.00 15.14 S ATOM 0 H CYS A 51 1.537 1.636 -11.145 1.00 32.43 H new ATOM 0 HA CYS A 51 3.726 1.784 -12.786 1.00 42.54 H new ATOM 0 HB2 CYS A 51 2.609 -0.203 -10.855 1.00 4.35 H new ATOM 0 HB3 CYS A 51 3.884 -0.779 -11.911 1.00 4.35 H new ATOM 678 N LEU A 52 1.482 -0.315 -13.930 1.00 22.31 N ATOM 679 CA LEU A 52 1.095 -1.111 -15.090 1.00 3.30 C ATOM 680 C LEU A 52 0.751 -0.214 -16.275 1.00 11.12 C ATOM 681 O LEU A 52 1.041 -0.546 -17.424 1.00 60.22 O ATOM 682 CB LEU A 52 -0.099 -2.002 -14.746 1.00 72.34 C ATOM 683 CG LEU A 52 0.235 -3.408 -14.246 1.00 34.12 C ATOM 684 CD1 LEU A 52 -0.978 -4.039 -13.579 1.00 62.22 C ATOM 685 CD2 LEU A 52 0.729 -4.279 -15.392 1.00 2.24 C ATOM 0 H LEU A 52 0.756 -0.226 -13.219 1.00 22.31 H new ATOM 0 HA LEU A 52 1.941 -1.740 -15.368 1.00 3.30 H new ATOM 0 HB2 LEU A 52 -0.695 -1.499 -13.984 1.00 72.34 H new ATOM 0 HB3 LEU A 52 -0.726 -2.093 -15.633 1.00 72.34 H new ATOM 0 HG LEU A 52 1.032 -3.330 -13.506 1.00 34.12 H new ATOM 0 HD11 LEU A 52 -0.722 -5.039 -13.229 1.00 62.22 H new ATOM 0 HD12 LEU A 52 -1.287 -3.427 -12.732 1.00 62.22 H new ATOM 0 HD13 LEU A 52 -1.795 -4.104 -14.297 1.00 62.22 H new ATOM 0 HD21 LEU A 52 0.962 -5.276 -15.017 1.00 2.24 H new ATOM 0 HD22 LEU A 52 -0.046 -4.350 -16.155 1.00 2.24 H new ATOM 0 HD23 LEU A 52 1.626 -3.836 -15.826 1.00 2.24 H new ATOM 697 N LYS A 53 0.132 0.926 -15.987 1.00 11.01 N ATOM 698 CA LYS A 53 -0.250 1.874 -17.027 1.00 64.11 C ATOM 699 C LYS A 53 0.983 2.474 -17.695 1.00 4.21 C ATOM 700 O LYS A 53 0.973 2.768 -18.890 1.00 74.33 O ATOM 701 CB LYS A 53 -1.117 2.988 -16.437 1.00 43.41 C ATOM 702 CG LYS A 53 -2.194 2.485 -15.492 1.00 0.20 C ATOM 703 CD LYS A 53 -3.577 2.935 -15.933 1.00 21.41 C ATOM 704 CE LYS A 53 -3.950 2.344 -17.284 1.00 53.41 C ATOM 705 NZ LYS A 53 -3.691 0.879 -17.340 1.00 34.01 N ATOM 0 H LYS A 53 -0.116 1.216 -15.041 1.00 11.01 H new ATOM 0 HA LYS A 53 -0.825 1.336 -17.781 1.00 64.11 H new ATOM 0 HB2 LYS A 53 -0.477 3.691 -15.904 1.00 43.41 H new ATOM 0 HB3 LYS A 53 -1.588 3.540 -17.251 1.00 43.41 H new ATOM 0 HG2 LYS A 53 -2.161 1.396 -15.448 1.00 0.20 H new ATOM 0 HG3 LYS A 53 -1.995 2.851 -14.485 1.00 0.20 H new ATOM 0 HD2 LYS A 53 -4.313 2.635 -15.187 1.00 21.41 H new ATOM 0 HD3 LYS A 53 -3.606 4.023 -15.990 1.00 21.41 H new ATOM 0 HE2 LYS A 53 -5.004 2.534 -17.485 1.00 53.41 H new ATOM 0 HE3 LYS A 53 -3.381 2.843 -18.068 1.00 53.41 H new ATOM 0 HZ1 LYS A 53 -4.400 0.424 -17.950 1.00 34.01 H new ATOM 0 HZ2 LYS A 53 -2.741 0.709 -17.727 1.00 34.01 H new ATOM 0 HZ3 LYS A 53 -3.751 0.479 -16.382 1.00 34.01 H new ATOM 719 N SER A 54 2.045 2.653 -16.915 1.00 62.25 N ATOM 720 CA SER A 54 3.285 3.220 -17.431 1.00 44.24 C ATOM 721 C SER A 54 3.994 2.231 -18.352 1.00 55.23 C ATOM 722 O SER A 54 4.423 2.586 -19.450 1.00 35.12 O ATOM 723 CB SER A 54 4.210 3.612 -16.278 1.00 4.34 C ATOM 724 OG SER A 54 3.513 4.361 -15.297 1.00 44.31 O ATOM 0 H SER A 54 2.071 2.413 -15.924 1.00 62.25 H new ATOM 0 HA SER A 54 3.035 4.111 -18.007 1.00 44.24 H new ATOM 0 HB2 SER A 54 4.631 2.715 -15.824 1.00 4.34 H new ATOM 0 HB3 SER A 54 5.046 4.197 -16.661 1.00 4.34 H new ATOM 0 HG SER A 54 2.892 3.774 -14.817 1.00 44.31 H new ATOM 730 N ALA A 55 4.112 0.988 -17.896 1.00 51.44 N ATOM 731 CA ALA A 55 4.766 -0.053 -18.679 1.00 33.22 C ATOM 732 C ALA A 55 3.986 -0.353 -19.954 1.00 74.03 C ATOM 733 O ALA A 55 4.552 -0.813 -20.945 1.00 74.15 O ATOM 734 CB ALA A 55 4.925 -1.317 -17.846 1.00 45.33 C ATOM 0 H ALA A 55 3.763 0.678 -16.989 1.00 51.44 H new ATOM 0 HA ALA A 55 5.754 0.308 -18.965 1.00 33.22 H new ATOM 0 HB1 ALA A 55 5.415 -2.087 -18.443 1.00 45.33 H new ATOM 0 HB2 ALA A 55 5.531 -1.099 -16.966 1.00 45.33 H new ATOM 0 HB3 ALA A 55 3.943 -1.671 -17.532 1.00 45.33 H new ATOM 740 N ALA A 56 2.683 -0.090 -19.922 1.00 4.14 N ATOM 741 CA ALA A 56 1.826 -0.331 -21.076 1.00 2.52 C ATOM 742 C ALA A 56 1.884 0.837 -22.055 1.00 71.23 C ATOM 743 O ALA A 56 1.637 0.671 -23.249 1.00 31.00 O ATOM 744 CB ALA A 56 0.393 -0.575 -20.627 1.00 21.10 C ATOM 0 H ALA A 56 2.198 0.290 -19.109 1.00 4.14 H new ATOM 0 HA ALA A 56 2.191 -1.221 -21.590 1.00 2.52 H new ATOM 0 HB1 ALA A 56 -0.236 -0.754 -21.499 1.00 21.10 H new ATOM 0 HB2 ALA A 56 0.360 -1.445 -19.972 1.00 21.10 H new ATOM 0 HB3 ALA A 56 0.027 0.299 -20.088 1.00 21.10 H new ATOM 750 N GLY A 57 2.211 2.019 -21.542 1.00 22.12 N ATOM 751 CA GLY A 57 2.294 3.197 -22.385 1.00 63.24 C ATOM 752 C GLY A 57 3.485 3.156 -23.323 1.00 75.51 C ATOM 753 O GLY A 57 3.486 3.811 -24.365 1.00 14.11 O ATOM 0 H GLY A 57 2.420 2.182 -20.557 1.00 22.12 H new ATOM 0 HA2 GLY A 57 1.378 3.287 -22.969 1.00 63.24 H new ATOM 0 HA3 GLY A 57 2.360 4.085 -21.757 1.00 63.24 H new ATOM 757 N SER A 58 4.502 2.384 -22.952 1.00 53.33 N ATOM 758 CA SER A 58 5.706 2.265 -23.765 1.00 62.54 C ATOM 759 C SER A 58 5.556 1.152 -24.799 1.00 13.23 C ATOM 760 O SER A 58 6.511 0.801 -25.492 1.00 32.10 O ATOM 761 CB SER A 58 6.921 1.990 -22.877 1.00 43.03 C ATOM 762 OG SER A 58 8.125 2.071 -23.621 1.00 0.55 O ATOM 0 H SER A 58 4.516 1.832 -22.094 1.00 53.33 H new ATOM 0 HA SER A 58 5.854 3.208 -24.291 1.00 62.54 H new ATOM 0 HB2 SER A 58 6.947 2.709 -22.058 1.00 43.03 H new ATOM 0 HB3 SER A 58 6.832 1.000 -22.430 1.00 43.03 H new ATOM 0 HG SER A 58 7.991 1.669 -24.505 1.00 0.55 H new ATOM 768 N ILE A 59 4.350 0.602 -24.895 1.00 51.54 N ATOM 769 CA ILE A 59 4.073 -0.469 -25.844 1.00 42.02 C ATOM 770 C ILE A 59 3.254 0.040 -27.025 1.00 51.41 C ATOM 771 O ILE A 59 2.306 0.808 -26.853 1.00 44.23 O ATOM 772 CB ILE A 59 3.319 -1.633 -25.175 1.00 1.03 C ATOM 773 CG1 ILE A 59 3.898 -1.913 -23.786 1.00 63.24 C ATOM 774 CG2 ILE A 59 3.388 -2.879 -26.045 1.00 23.02 C ATOM 775 CD1 ILE A 59 3.226 -3.065 -23.073 1.00 23.24 C ATOM 0 H ILE A 59 3.550 0.880 -24.327 1.00 51.54 H new ATOM 0 HA ILE A 59 5.037 -0.829 -26.202 1.00 42.02 H new ATOM 0 HB ILE A 59 2.272 -1.351 -25.062 1.00 1.03 H new ATOM 0 HG12 ILE A 59 4.963 -2.126 -23.881 1.00 63.24 H new ATOM 0 HG13 ILE A 59 3.806 -1.015 -23.175 1.00 63.24 H new ATOM 0 HG21 ILE A 59 2.850 -3.693 -25.558 1.00 23.02 H new ATOM 0 HG22 ILE A 59 2.933 -2.672 -27.014 1.00 23.02 H new ATOM 0 HG23 ILE A 59 4.430 -3.166 -26.187 1.00 23.02 H new ATOM 0 HD11 ILE A 59 3.687 -3.206 -22.095 1.00 23.24 H new ATOM 0 HD12 ILE A 59 2.166 -2.846 -22.946 1.00 23.24 H new ATOM 0 HD13 ILE A 59 3.340 -3.974 -23.663 1.00 23.24 H new ATOM 787 N THR A 60 3.624 -0.393 -28.226 1.00 72.41 N ATOM 788 CA THR A 60 2.923 0.018 -29.436 1.00 64.43 C ATOM 789 C THR A 60 1.966 -1.069 -29.913 1.00 51.52 C ATOM 790 O THR A 60 0.943 -0.780 -30.535 1.00 30.13 O ATOM 791 CB THR A 60 3.910 0.350 -30.571 1.00 44.41 C ATOM 792 OG1 THR A 60 3.249 1.112 -31.588 1.00 23.13 O ATOM 793 CG2 THR A 60 4.487 -0.920 -31.177 1.00 21.43 C ATOM 0 H THR A 60 4.405 -1.028 -28.387 1.00 72.41 H new ATOM 0 HA THR A 60 2.355 0.914 -29.184 1.00 64.43 H new ATOM 0 HB THR A 60 4.727 0.936 -30.151 1.00 44.41 H new ATOM 0 HG1 THR A 60 3.884 1.320 -32.305 1.00 23.13 H new ATOM 0 HG21 THR A 60 5.181 -0.659 -31.976 1.00 21.43 H new ATOM 0 HG22 THR A 60 5.015 -1.483 -30.407 1.00 21.43 H new ATOM 0 HG23 THR A 60 3.679 -1.529 -31.582 1.00 21.43 H new ATOM 801 N LYS A 61 2.303 -2.319 -29.618 1.00 64.31 N ATOM 802 CA LYS A 61 1.473 -3.450 -30.015 1.00 31.23 C ATOM 803 C LYS A 61 0.467 -3.797 -28.921 1.00 43.32 C ATOM 804 O LYS A 61 -0.163 -4.854 -28.956 1.00 73.21 O ATOM 805 CB LYS A 61 2.347 -4.668 -30.323 1.00 31.00 C ATOM 806 CG LYS A 61 3.159 -4.527 -31.599 1.00 14.30 C ATOM 807 CD LYS A 61 4.388 -5.419 -31.579 1.00 64.03 C ATOM 808 CE LYS A 61 4.018 -6.883 -31.764 1.00 0.41 C ATOM 809 NZ LYS A 61 5.149 -7.675 -32.322 1.00 53.32 N ATOM 0 H LYS A 61 3.146 -2.575 -29.105 1.00 64.31 H new ATOM 0 HA LYS A 61 0.924 -3.168 -30.913 1.00 31.23 H new ATOM 0 HB2 LYS A 61 3.026 -4.838 -29.487 1.00 31.00 H new ATOM 0 HB3 LYS A 61 1.711 -5.550 -30.402 1.00 31.00 H new ATOM 0 HG2 LYS A 61 2.537 -4.782 -32.457 1.00 14.30 H new ATOM 0 HG3 LYS A 61 3.464 -3.488 -31.724 1.00 14.30 H new ATOM 0 HD2 LYS A 61 5.074 -5.113 -32.369 1.00 64.03 H new ATOM 0 HD3 LYS A 61 4.915 -5.293 -30.633 1.00 64.03 H new ATOM 0 HE2 LYS A 61 3.717 -7.305 -30.805 1.00 0.41 H new ATOM 0 HE3 LYS A 61 3.158 -6.959 -32.430 1.00 0.41 H new ATOM 0 HZ1 LYS A 61 4.857 -8.667 -32.433 1.00 53.32 H new ATOM 0 HZ2 LYS A 61 5.420 -7.288 -33.249 1.00 53.32 H new ATOM 0 HZ3 LYS A 61 5.961 -7.624 -31.675 1.00 53.32 H new ATOM 823 N LEU A 62 0.321 -2.900 -27.952 1.00 43.45 N ATOM 824 CA LEU A 62 -0.610 -3.110 -26.849 1.00 45.20 C ATOM 825 C LEU A 62 -2.051 -3.123 -27.348 1.00 20.54 C ATOM 826 O LEU A 62 -2.491 -2.198 -28.028 1.00 14.01 O ATOM 827 CB LEU A 62 -0.434 -2.018 -25.792 1.00 44.24 C ATOM 828 CG LEU A 62 -1.462 -2.006 -24.661 1.00 74.42 C ATOM 829 CD1 LEU A 62 -1.136 -3.078 -23.632 1.00 53.23 C ATOM 830 CD2 LEU A 62 -1.519 -0.634 -24.006 1.00 20.34 C ATOM 0 H LEU A 62 0.835 -2.020 -27.908 1.00 43.45 H new ATOM 0 HA LEU A 62 -0.391 -4.079 -26.401 1.00 45.20 H new ATOM 0 HB2 LEU A 62 0.558 -2.122 -25.353 1.00 44.24 H new ATOM 0 HB3 LEU A 62 -0.462 -1.049 -26.291 1.00 44.24 H new ATOM 0 HG LEU A 62 -2.442 -2.224 -25.085 1.00 74.42 H new ATOM 0 HD11 LEU A 62 -1.878 -3.054 -22.834 1.00 53.23 H new ATOM 0 HD12 LEU A 62 -1.148 -4.057 -24.110 1.00 53.23 H new ATOM 0 HD13 LEU A 62 -0.147 -2.891 -23.213 1.00 53.23 H new ATOM 0 HD21 LEU A 62 -2.256 -0.644 -23.203 1.00 20.34 H new ATOM 0 HD22 LEU A 62 -0.540 -0.385 -23.596 1.00 20.34 H new ATOM 0 HD23 LEU A 62 -1.802 0.112 -24.749 1.00 20.34 H new ATOM 842 N ASN A 63 -2.781 -4.179 -27.002 1.00 52.12 N ATOM 843 CA ASN A 63 -4.174 -4.312 -27.413 1.00 71.24 C ATOM 844 C ASN A 63 -5.115 -4.041 -26.243 1.00 70.54 C ATOM 845 O ASN A 63 -5.469 -4.951 -25.493 1.00 31.43 O ATOM 846 CB ASN A 63 -4.430 -5.712 -27.975 1.00 30.32 C ATOM 847 CG ASN A 63 -3.755 -5.930 -29.315 1.00 24.20 C ATOM 848 OD1 ASN A 63 -2.539 -5.780 -29.442 1.00 32.53 O ATOM 849 ND2 ASN A 63 -4.542 -6.286 -30.323 1.00 51.44 N ATOM 0 H ASN A 63 -2.431 -4.954 -26.439 1.00 52.12 H new ATOM 0 HA ASN A 63 -4.369 -3.574 -28.191 1.00 71.24 H new ATOM 0 HB2 ASN A 63 -4.071 -6.457 -27.265 1.00 30.32 H new ATOM 0 HB3 ASN A 63 -5.504 -5.866 -28.083 1.00 30.32 H new ATOM 0 HD21 ASN A 63 -4.144 -6.447 -31.248 1.00 51.44 H new ATOM 0 HD22 ASN A 63 -5.544 -6.399 -30.172 1.00 51.44 H new ATOM 856 N THR A 64 -5.518 -2.783 -26.094 1.00 21.42 N ATOM 857 CA THR A 64 -6.417 -2.392 -25.016 1.00 10.23 C ATOM 858 C THR A 64 -7.656 -3.280 -24.983 1.00 3.30 C ATOM 859 O THR A 64 -8.268 -3.468 -23.933 1.00 32.01 O ATOM 860 CB THR A 64 -6.856 -0.922 -25.156 1.00 74.24 C ATOM 861 OG1 THR A 64 -7.727 -0.777 -26.284 1.00 41.10 O ATOM 862 CG2 THR A 64 -5.650 -0.010 -25.320 1.00 0.02 C ATOM 0 H THR A 64 -5.236 -2.018 -26.707 1.00 21.42 H new ATOM 0 HA THR A 64 -5.864 -2.511 -24.084 1.00 10.23 H new ATOM 0 HB THR A 64 -7.387 -0.636 -24.248 1.00 74.24 H new ATOM 0 HG1 THR A 64 -8.003 0.160 -26.366 1.00 41.10 H new ATOM 0 HG21 THR A 64 -5.985 1.023 -25.417 1.00 0.02 H new ATOM 0 HG22 THR A 64 -5.004 -0.101 -24.447 1.00 0.02 H new ATOM 0 HG23 THR A 64 -5.096 -0.297 -26.214 1.00 0.02 H new ATOM 870 N ASN A 65 -8.019 -3.824 -26.140 1.00 2.21 N ATOM 871 CA ASN A 65 -9.185 -4.693 -26.243 1.00 54.11 C ATOM 872 C ASN A 65 -8.986 -5.970 -25.433 1.00 64.20 C ATOM 873 O ASN A 65 -9.891 -6.421 -24.732 1.00 42.24 O ATOM 874 CB ASN A 65 -9.459 -5.042 -27.707 1.00 54.14 C ATOM 875 CG ASN A 65 -10.398 -4.053 -28.372 1.00 21.14 C ATOM 876 OD1 ASN A 65 -11.505 -3.811 -27.890 1.00 61.42 O ATOM 877 ND2 ASN A 65 -9.958 -3.476 -29.484 1.00 34.01 N ATOM 0 H ASN A 65 -7.522 -3.678 -27.019 1.00 2.21 H new ATOM 0 HA ASN A 65 -10.043 -4.157 -25.837 1.00 54.11 H new ATOM 0 HB2 ASN A 65 -8.516 -5.068 -28.254 1.00 54.14 H new ATOM 0 HB3 ASN A 65 -9.889 -6.042 -27.765 1.00 54.14 H new ATOM 0 HD21 ASN A 65 -10.545 -2.802 -29.975 1.00 34.01 H new ATOM 0 HD22 ASN A 65 -9.033 -3.707 -29.847 1.00 34.01 H new ATOM 884 N ASN A 66 -7.793 -6.548 -25.534 1.00 60.13 N ATOM 885 CA ASN A 66 -7.474 -7.774 -24.811 1.00 43.31 C ATOM 886 C ASN A 66 -7.220 -7.484 -23.335 1.00 3.31 C ATOM 887 O ASN A 66 -7.322 -8.373 -22.491 1.00 20.23 O ATOM 888 CB ASN A 66 -6.247 -8.450 -25.428 1.00 15.31 C ATOM 889 CG ASN A 66 -6.538 -9.037 -26.796 1.00 2.04 C ATOM 890 OD1 ASN A 66 -7.529 -9.743 -26.983 1.00 1.13 O ATOM 891 ND2 ASN A 66 -5.672 -8.747 -27.760 1.00 22.23 N ATOM 0 H ASN A 66 -7.032 -6.187 -26.109 1.00 60.13 H new ATOM 0 HA ASN A 66 -8.329 -8.446 -24.889 1.00 43.31 H new ATOM 0 HB2 ASN A 66 -5.439 -7.723 -25.512 1.00 15.31 H new ATOM 0 HB3 ASN A 66 -5.898 -9.240 -24.763 1.00 15.31 H new ATOM 0 HD21 ASN A 66 -5.815 -9.114 -28.701 1.00 22.23 H new ATOM 0 HD22 ASN A 66 -4.864 -8.157 -27.559 1.00 22.23 H new ATOM 898 N ALA A 67 -6.889 -6.233 -23.032 1.00 3.23 N ATOM 899 CA ALA A 67 -6.623 -5.825 -21.658 1.00 2.41 C ATOM 900 C ALA A 67 -7.917 -5.710 -20.859 1.00 63.20 C ATOM 901 O ALA A 67 -7.957 -6.039 -19.674 1.00 24.31 O ATOM 902 CB ALA A 67 -5.868 -4.503 -21.636 1.00 74.55 C ATOM 0 H ALA A 67 -6.799 -5.485 -23.719 1.00 3.23 H new ATOM 0 HA ALA A 67 -6.005 -6.592 -21.191 1.00 2.41 H new ATOM 0 HB1 ALA A 67 -5.676 -4.211 -20.604 1.00 74.55 H new ATOM 0 HB2 ALA A 67 -4.921 -4.616 -22.163 1.00 74.55 H new ATOM 0 HB3 ALA A 67 -6.466 -3.734 -22.126 1.00 74.55 H new ATOM 908 N ALA A 68 -8.973 -5.241 -21.516 1.00 4.04 N ATOM 909 CA ALA A 68 -10.268 -5.084 -20.866 1.00 72.55 C ATOM 910 C ALA A 68 -10.959 -6.432 -20.687 1.00 62.23 C ATOM 911 O ALA A 68 -11.578 -6.691 -19.656 1.00 2.34 O ATOM 912 CB ALA A 68 -11.150 -4.140 -21.670 1.00 12.15 C ATOM 0 H ALA A 68 -8.957 -4.963 -22.497 1.00 4.04 H new ATOM 0 HA ALA A 68 -10.102 -4.656 -19.877 1.00 72.55 H new ATOM 0 HB1 ALA A 68 -12.114 -4.032 -21.173 1.00 12.15 H new ATOM 0 HB2 ALA A 68 -10.668 -3.165 -21.743 1.00 12.15 H new ATOM 0 HB3 ALA A 68 -11.301 -4.546 -22.670 1.00 12.15 H new ATOM 918 N ALA A 69 -10.849 -7.287 -21.699 1.00 20.33 N ATOM 919 CA ALA A 69 -11.462 -8.609 -21.652 1.00 1.13 C ATOM 920 C ALA A 69 -10.541 -9.617 -20.972 1.00 74.12 C ATOM 921 O ALA A 69 -10.934 -10.756 -20.713 1.00 50.51 O ATOM 922 CB ALA A 69 -11.816 -9.077 -23.056 1.00 3.14 C ATOM 0 H ALA A 69 -10.341 -7.088 -22.561 1.00 20.33 H new ATOM 0 HA ALA A 69 -12.377 -8.538 -21.064 1.00 1.13 H new ATOM 0 HB1 ALA A 69 -12.273 -10.065 -23.006 1.00 3.14 H new ATOM 0 HB2 ALA A 69 -12.518 -8.375 -23.507 1.00 3.14 H new ATOM 0 HB3 ALA A 69 -10.911 -9.126 -23.662 1.00 3.14 H new ATOM 928 N LEU A 70 -9.315 -9.193 -20.686 1.00 55.25 N ATOM 929 CA LEU A 70 -8.338 -10.059 -20.037 1.00 61.41 C ATOM 930 C LEU A 70 -8.886 -10.611 -18.725 1.00 1.12 C ATOM 931 O LEU A 70 -8.999 -11.821 -18.531 1.00 20.51 O ATOM 932 CB LEU A 70 -7.040 -9.293 -19.779 1.00 4.23 C ATOM 933 CG LEU A 70 -6.221 -9.747 -18.569 1.00 54.34 C ATOM 934 CD1 LEU A 70 -5.777 -11.191 -18.737 1.00 70.44 C ATOM 935 CD2 LEU A 70 -5.018 -8.837 -18.367 1.00 55.24 C ATOM 0 H LEU A 70 -8.974 -8.254 -20.894 1.00 55.25 H new ATOM 0 HA LEU A 70 -8.132 -10.896 -20.704 1.00 61.41 H new ATOM 0 HB2 LEU A 70 -6.413 -9.371 -20.667 1.00 4.23 H new ATOM 0 HB3 LEU A 70 -7.283 -8.238 -19.653 1.00 4.23 H new ATOM 0 HG LEU A 70 -6.852 -9.683 -17.683 1.00 54.34 H new ATOM 0 HD11 LEU A 70 -5.196 -11.497 -17.867 1.00 70.44 H new ATOM 0 HD12 LEU A 70 -6.653 -11.832 -18.832 1.00 70.44 H new ATOM 0 HD13 LEU A 70 -5.163 -11.281 -19.633 1.00 70.44 H new ATOM 0 HD21 LEU A 70 -4.447 -9.175 -17.502 1.00 55.24 H new ATOM 0 HD22 LEU A 70 -4.385 -8.868 -19.254 1.00 55.24 H new ATOM 0 HD23 LEU A 70 -5.359 -7.815 -18.200 1.00 55.24 H new ATOM 947 N PRO A 71 -9.237 -9.703 -17.802 1.00 21.32 N ATOM 948 CA PRO A 71 -9.782 -10.075 -16.493 1.00 21.42 C ATOM 949 C PRO A 71 -11.187 -10.659 -16.595 1.00 23.45 C ATOM 950 O PRO A 71 -11.607 -11.443 -15.744 1.00 62.23 O ATOM 951 CB PRO A 71 -9.808 -8.749 -15.729 1.00 52.24 C ATOM 952 CG PRO A 71 -9.894 -7.704 -16.788 1.00 61.21 C ATOM 953 CD PRO A 71 -9.129 -8.244 -17.965 1.00 53.21 C ATOM 0 HA PRO A 71 -9.187 -10.849 -16.009 1.00 21.42 H new ATOM 0 HB2 PRO A 71 -10.661 -8.698 -15.053 1.00 52.24 H new ATOM 0 HB3 PRO A 71 -8.912 -8.624 -15.121 1.00 52.24 H new ATOM 0 HG2 PRO A 71 -10.932 -7.504 -17.055 1.00 61.21 H new ATOM 0 HG3 PRO A 71 -9.466 -6.763 -16.443 1.00 61.21 H new ATOM 0 HD2 PRO A 71 -9.559 -7.912 -18.910 1.00 53.21 H new ATOM 0 HD3 PRO A 71 -8.090 -7.914 -17.954 1.00 53.21 H new ATOM 961 N GLY A 72 -11.909 -10.272 -17.641 1.00 74.55 N ATOM 962 CA GLY A 72 -13.260 -10.768 -17.835 1.00 24.22 C ATOM 963 C GLY A 72 -13.286 -12.206 -18.313 1.00 33.42 C ATOM 964 O GLY A 72 -14.102 -13.006 -17.854 1.00 23.53 O ATOM 0 H GLY A 72 -11.583 -9.624 -18.358 1.00 74.55 H new ATOM 0 HA2 GLY A 72 -13.811 -10.690 -16.898 1.00 24.22 H new ATOM 0 HA3 GLY A 72 -13.775 -10.138 -18.560 1.00 24.22 H new ATOM 968 N LYS A 73 -12.393 -12.537 -19.239 1.00 52.15 N ATOM 969 CA LYS A 73 -12.317 -13.888 -19.782 1.00 23.35 C ATOM 970 C LYS A 73 -11.721 -14.851 -18.760 1.00 31.53 C ATOM 971 O LYS A 73 -11.907 -16.065 -18.854 1.00 24.23 O ATOM 972 CB LYS A 73 -11.476 -13.900 -21.060 1.00 64.20 C ATOM 973 CG LYS A 73 -12.277 -13.615 -22.318 1.00 53.41 C ATOM 974 CD LYS A 73 -11.377 -13.205 -23.472 1.00 32.50 C ATOM 975 CE LYS A 73 -12.134 -12.387 -24.506 1.00 54.23 C ATOM 976 NZ LYS A 73 -12.892 -13.252 -25.453 1.00 23.25 N ATOM 0 H LYS A 73 -11.711 -11.887 -19.630 1.00 52.15 H new ATOM 0 HA LYS A 73 -13.329 -14.216 -20.018 1.00 23.35 H new ATOM 0 HB2 LYS A 73 -10.682 -13.159 -20.969 1.00 64.20 H new ATOM 0 HB3 LYS A 73 -10.994 -14.873 -21.159 1.00 64.20 H new ATOM 0 HG2 LYS A 73 -12.846 -14.502 -22.597 1.00 53.41 H new ATOM 0 HG3 LYS A 73 -12.999 -12.823 -22.119 1.00 53.41 H new ATOM 0 HD2 LYS A 73 -10.537 -12.624 -23.091 1.00 32.50 H new ATOM 0 HD3 LYS A 73 -10.961 -14.095 -23.944 1.00 32.50 H new ATOM 0 HE2 LYS A 73 -12.824 -11.711 -24.000 1.00 54.23 H new ATOM 0 HE3 LYS A 73 -11.432 -11.767 -25.063 1.00 54.23 H new ATOM 0 HZ1 LYS A 73 -13.394 -12.656 -26.142 1.00 23.25 H new ATOM 0 HZ2 LYS A 73 -12.232 -13.879 -25.955 1.00 23.25 H new ATOM 0 HZ3 LYS A 73 -13.580 -13.825 -24.925 1.00 23.25 H new ATOM 990 N CYS A 74 -11.006 -14.303 -17.783 1.00 72.00 N ATOM 991 CA CYS A 74 -10.384 -15.113 -16.743 1.00 11.15 C ATOM 992 C CYS A 74 -11.305 -15.246 -15.533 1.00 52.22 C ATOM 993 O CYS A 74 -10.866 -15.607 -14.442 1.00 74.11 O ATOM 994 CB CYS A 74 -9.050 -14.496 -16.316 1.00 73.33 C ATOM 995 SG CYS A 74 -7.724 -14.665 -17.553 1.00 61.34 S ATOM 0 H CYS A 74 -10.843 -13.300 -17.690 1.00 72.00 H new ATOM 0 HA CYS A 74 -10.203 -16.107 -17.152 1.00 11.15 H new ATOM 0 HB2 CYS A 74 -9.202 -13.438 -16.105 1.00 73.33 H new ATOM 0 HB3 CYS A 74 -8.727 -14.964 -15.386 1.00 73.33 H new ATOM 1000 N GLY A 75 -12.586 -14.951 -15.736 1.00 42.21 N ATOM 1001 CA GLY A 75 -13.549 -15.043 -14.654 1.00 62.44 C ATOM 1002 C GLY A 75 -13.129 -14.247 -13.435 1.00 22.54 C ATOM 1003 O GLY A 75 -12.795 -14.819 -12.396 1.00 42.54 O ATOM 0 H GLY A 75 -12.974 -14.650 -16.630 1.00 42.21 H new ATOM 0 HA2 GLY A 75 -14.518 -14.684 -15.002 1.00 62.44 H new ATOM 0 HA3 GLY A 75 -13.678 -16.089 -14.375 1.00 62.44 H new ATOM 1007 N VAL A 76 -13.144 -12.924 -13.559 1.00 62.14 N ATOM 1008 CA VAL A 76 -12.761 -12.048 -12.459 1.00 30.14 C ATOM 1009 C VAL A 76 -13.784 -10.935 -12.261 1.00 21.12 C ATOM 1010 O VAL A 76 -14.390 -10.458 -13.219 1.00 74.41 O ATOM 1011 CB VAL A 76 -11.375 -11.420 -12.697 1.00 21.11 C ATOM 1012 CG1 VAL A 76 -10.900 -10.686 -11.452 1.00 61.12 C ATOM 1013 CG2 VAL A 76 -10.372 -12.486 -13.113 1.00 11.32 C ATOM 0 H VAL A 76 -13.418 -12.435 -14.411 1.00 62.14 H new ATOM 0 HA VAL A 76 -12.722 -12.666 -11.562 1.00 30.14 H new ATOM 0 HB VAL A 76 -11.458 -10.695 -13.507 1.00 21.11 H new ATOM 0 HG11 VAL A 76 -9.919 -10.249 -11.639 1.00 61.12 H new ATOM 0 HG12 VAL A 76 -11.608 -9.895 -11.203 1.00 61.12 H new ATOM 0 HG13 VAL A 76 -10.832 -11.387 -10.620 1.00 61.12 H new ATOM 0 HG21 VAL A 76 -9.398 -12.025 -13.277 1.00 11.32 H new ATOM 0 HG22 VAL A 76 -10.291 -13.236 -12.326 1.00 11.32 H new ATOM 0 HG23 VAL A 76 -10.708 -12.962 -14.034 1.00 11.32 H new ATOM 1023 N ASN A 77 -13.970 -10.525 -11.010 1.00 62.13 N ATOM 1024 CA ASN A 77 -14.920 -9.467 -10.686 1.00 60.20 C ATOM 1025 C ASN A 77 -14.269 -8.093 -10.814 1.00 71.33 C ATOM 1026 O ASN A 77 -13.407 -7.727 -10.015 1.00 41.11 O ATOM 1027 CB ASN A 77 -15.462 -9.657 -9.268 1.00 2.12 C ATOM 1028 CG ASN A 77 -16.172 -10.985 -9.093 1.00 23.50 C ATOM 1029 OD1 ASN A 77 -15.710 -11.856 -8.355 1.00 72.20 O ATOM 1030 ND2 ASN A 77 -17.301 -11.147 -9.773 1.00 44.14 N ATOM 0 H ASN A 77 -13.476 -10.909 -10.205 1.00 62.13 H new ATOM 0 HA ASN A 77 -15.746 -9.525 -11.395 1.00 60.20 H new ATOM 0 HB2 ASN A 77 -14.639 -9.591 -8.556 1.00 2.12 H new ATOM 0 HB3 ASN A 77 -16.152 -8.846 -9.034 1.00 2.12 H new ATOM 0 HD21 ASN A 77 -17.822 -12.020 -9.695 1.00 44.14 H new ATOM 0 HD22 ASN A 77 -17.647 -10.398 -10.373 1.00 44.14 H new ATOM 1037 N ILE A 78 -14.688 -7.338 -11.824 1.00 32.20 N ATOM 1038 CA ILE A 78 -14.147 -6.005 -12.056 1.00 14.54 C ATOM 1039 C ILE A 78 -15.188 -5.093 -12.697 1.00 33.03 C ATOM 1040 O ILE A 78 -15.197 -4.876 -13.909 1.00 15.04 O ATOM 1041 CB ILE A 78 -12.899 -6.052 -12.956 1.00 3.23 C ATOM 1042 CG1 ILE A 78 -11.817 -6.928 -12.320 1.00 15.25 C ATOM 1043 CG2 ILE A 78 -12.371 -4.647 -13.204 1.00 53.41 C ATOM 1044 CD1 ILE A 78 -10.549 -7.013 -13.139 1.00 71.03 C ATOM 0 H ILE A 78 -15.400 -7.627 -12.494 1.00 32.20 H new ATOM 0 HA ILE A 78 -13.867 -5.605 -11.082 1.00 14.54 H new ATOM 0 HB ILE A 78 -13.178 -6.489 -13.915 1.00 3.23 H new ATOM 0 HG12 ILE A 78 -11.576 -6.534 -11.333 1.00 15.25 H new ATOM 0 HG13 ILE A 78 -12.214 -7.933 -12.174 1.00 15.25 H new ATOM 0 HG21 ILE A 78 -11.489 -4.697 -13.842 1.00 53.41 H new ATOM 0 HG22 ILE A 78 -13.140 -4.051 -13.695 1.00 53.41 H new ATOM 0 HG23 ILE A 78 -12.105 -4.185 -12.253 1.00 53.41 H new ATOM 0 HD11 ILE A 78 -9.827 -7.650 -12.627 1.00 71.03 H new ATOM 0 HD12 ILE A 78 -10.776 -7.435 -14.118 1.00 71.03 H new ATOM 0 HD13 ILE A 78 -10.128 -6.015 -13.263 1.00 71.03 H new ATOM 1056 N PRO A 79 -16.086 -4.544 -11.865 1.00 75.14 N ATOM 1057 CA PRO A 79 -17.147 -3.645 -12.328 1.00 54.44 C ATOM 1058 C PRO A 79 -16.604 -2.296 -12.789 1.00 72.42 C ATOM 1059 O PRO A 79 -17.343 -1.468 -13.323 1.00 64.31 O ATOM 1060 CB PRO A 79 -18.030 -3.470 -11.090 1.00 72.41 C ATOM 1061 CG PRO A 79 -17.121 -3.726 -9.938 1.00 32.12 C ATOM 1062 CD PRO A 79 -16.135 -4.759 -10.409 1.00 52.24 C ATOM 0 HA PRO A 79 -17.675 -4.049 -13.192 1.00 54.44 H new ATOM 0 HB2 PRO A 79 -18.454 -2.467 -11.045 1.00 72.41 H new ATOM 0 HB3 PRO A 79 -18.866 -4.169 -11.098 1.00 72.41 H new ATOM 0 HG2 PRO A 79 -16.612 -2.812 -9.632 1.00 32.12 H new ATOM 0 HG3 PRO A 79 -17.679 -4.085 -9.073 1.00 32.12 H new ATOM 0 HD2 PRO A 79 -15.157 -4.620 -9.949 1.00 52.24 H new ATOM 0 HD3 PRO A 79 -16.462 -5.769 -10.163 1.00 52.24 H new ATOM 1070 N TYR A 80 -15.310 -2.083 -12.580 1.00 40.41 N ATOM 1071 CA TYR A 80 -14.668 -0.833 -12.973 1.00 34.54 C ATOM 1072 C TYR A 80 -14.478 -0.771 -14.485 1.00 42.40 C ATOM 1073 O TYR A 80 -13.974 -1.711 -15.099 1.00 61.23 O ATOM 1074 CB TYR A 80 -13.317 -0.687 -12.271 1.00 33.14 C ATOM 1075 CG TYR A 80 -13.423 -0.161 -10.857 1.00 33.51 C ATOM 1076 CD1 TYR A 80 -13.769 -1.003 -9.806 1.00 45.12 C ATOM 1077 CD2 TYR A 80 -13.179 1.176 -10.572 1.00 14.23 C ATOM 1078 CE1 TYR A 80 -13.867 -0.527 -8.513 1.00 33.10 C ATOM 1079 CE2 TYR A 80 -13.274 1.660 -9.281 1.00 53.34 C ATOM 1080 CZ TYR A 80 -13.619 0.805 -8.256 1.00 22.04 C ATOM 1081 OH TYR A 80 -13.716 1.284 -6.969 1.00 62.31 O ATOM 0 H TYR A 80 -14.685 -2.759 -12.141 1.00 40.41 H new ATOM 0 HA TYR A 80 -15.317 -0.010 -12.673 1.00 34.54 H new ATOM 0 HB2 TYR A 80 -12.820 -1.657 -12.253 1.00 33.14 H new ATOM 0 HB3 TYR A 80 -12.685 -0.016 -12.853 1.00 33.14 H new ATOM 0 HD1 TYR A 80 -13.964 -2.047 -10.004 1.00 45.12 H new ATOM 0 HD2 TYR A 80 -12.910 1.849 -11.373 1.00 14.23 H new ATOM 0 HE1 TYR A 80 -14.136 -1.194 -7.708 1.00 33.10 H new ATOM 0 HE2 TYR A 80 -13.079 2.702 -9.076 1.00 53.34 H new ATOM 0 HH TYR A 80 -13.509 2.242 -6.960 1.00 62.31 H new ATOM 1091 N LYS A 81 -14.884 0.346 -15.080 1.00 32.20 N ATOM 1092 CA LYS A 81 -14.758 0.536 -16.520 1.00 63.51 C ATOM 1093 C LYS A 81 -13.291 0.576 -16.937 1.00 0.32 C ATOM 1094 O LYS A 81 -12.570 1.520 -16.612 1.00 51.31 O ATOM 1095 CB LYS A 81 -15.457 1.828 -16.948 1.00 63.23 C ATOM 1096 CG LYS A 81 -16.933 1.867 -16.593 1.00 1.41 C ATOM 1097 CD LYS A 81 -17.722 0.829 -17.373 1.00 12.14 C ATOM 1098 CE LYS A 81 -19.200 1.183 -17.434 1.00 32.24 C ATOM 1099 NZ LYS A 81 -19.453 2.363 -18.306 1.00 64.23 N ATOM 0 H LYS A 81 -15.303 1.134 -14.586 1.00 32.20 H new ATOM 0 HA LYS A 81 -15.235 -0.309 -17.016 1.00 63.51 H new ATOM 0 HB2 LYS A 81 -14.956 2.675 -16.478 1.00 63.23 H new ATOM 0 HB3 LYS A 81 -15.348 1.951 -18.026 1.00 63.23 H new ATOM 0 HG2 LYS A 81 -17.056 1.691 -15.524 1.00 1.41 H new ATOM 0 HG3 LYS A 81 -17.332 2.860 -16.801 1.00 1.41 H new ATOM 0 HD2 LYS A 81 -17.323 0.752 -18.384 1.00 12.14 H new ATOM 0 HD3 LYS A 81 -17.600 -0.149 -16.907 1.00 12.14 H new ATOM 0 HE2 LYS A 81 -19.763 0.328 -17.808 1.00 32.24 H new ATOM 0 HE3 LYS A 81 -19.566 1.390 -16.428 1.00 32.24 H new ATOM 0 HZ1 LYS A 81 -20.455 2.382 -18.582 1.00 64.23 H new ATOM 0 HZ2 LYS A 81 -19.220 3.234 -17.788 1.00 64.23 H new ATOM 0 HZ3 LYS A 81 -18.860 2.299 -19.158 1.00 64.23 H new ATOM 1113 N ILE A 82 -12.857 -0.452 -17.658 1.00 2.30 N ATOM 1114 CA ILE A 82 -11.477 -0.531 -18.121 1.00 2.13 C ATOM 1115 C ILE A 82 -11.146 0.622 -19.062 1.00 42.12 C ATOM 1116 O ILE A 82 -11.557 0.627 -20.222 1.00 52.53 O ATOM 1117 CB ILE A 82 -11.201 -1.863 -18.842 1.00 65.30 C ATOM 1118 CG1 ILE A 82 -11.016 -2.991 -17.824 1.00 52.32 C ATOM 1119 CG2 ILE A 82 -9.972 -1.739 -19.731 1.00 75.45 C ATOM 1120 CD1 ILE A 82 -9.691 -2.938 -17.097 1.00 43.23 C ATOM 0 H ILE A 82 -13.441 -1.242 -17.934 1.00 2.30 H new ATOM 0 HA ILE A 82 -10.843 -0.468 -17.236 1.00 2.13 H new ATOM 0 HB ILE A 82 -12.058 -2.103 -19.471 1.00 65.30 H new ATOM 0 HG12 ILE A 82 -11.824 -2.946 -17.094 1.00 52.32 H new ATOM 0 HG13 ILE A 82 -11.102 -3.949 -18.336 1.00 52.32 H new ATOM 0 HG21 ILE A 82 -9.790 -2.689 -20.234 1.00 75.45 H new ATOM 0 HG22 ILE A 82 -10.138 -0.960 -20.475 1.00 75.45 H new ATOM 0 HG23 ILE A 82 -9.107 -1.479 -19.121 1.00 75.45 H new ATOM 0 HD11 ILE A 82 -9.629 -3.767 -16.392 1.00 43.23 H new ATOM 0 HD12 ILE A 82 -8.877 -3.014 -17.818 1.00 43.23 H new ATOM 0 HD13 ILE A 82 -9.610 -1.995 -16.556 1.00 43.23 H new ATOM 1132 N SER A 83 -10.398 1.597 -18.555 1.00 30.00 N ATOM 1133 CA SER A 83 -10.013 2.757 -19.350 1.00 4.11 C ATOM 1134 C SER A 83 -8.572 3.163 -19.055 1.00 1.41 C ATOM 1135 O SER A 83 -8.238 3.541 -17.931 1.00 42.03 O ATOM 1136 CB SER A 83 -10.953 3.930 -19.068 1.00 52.30 C ATOM 1137 OG SER A 83 -11.882 4.104 -20.124 1.00 34.03 O ATOM 0 H SER A 83 -10.047 1.607 -17.597 1.00 30.00 H new ATOM 0 HA SER A 83 -10.088 2.486 -20.403 1.00 4.11 H new ATOM 0 HB2 SER A 83 -11.488 3.755 -18.134 1.00 52.30 H new ATOM 0 HB3 SER A 83 -10.372 4.843 -18.937 1.00 52.30 H new ATOM 0 HG SER A 83 -12.473 4.859 -19.919 1.00 34.03 H new ATOM 1143 N THR A 84 -7.721 3.083 -20.073 1.00 4.00 N ATOM 1144 CA THR A 84 -6.316 3.441 -19.924 1.00 64.54 C ATOM 1145 C THR A 84 -6.159 4.909 -19.545 1.00 61.33 C ATOM 1146 O THR A 84 -5.099 5.332 -19.084 1.00 4.24 O ATOM 1147 CB THR A 84 -5.527 3.170 -21.220 1.00 20.44 C ATOM 1148 OG1 THR A 84 -6.064 3.951 -22.293 1.00 3.24 O ATOM 1149 CG2 THR A 84 -5.578 1.694 -21.586 1.00 31.15 C ATOM 0 H THR A 84 -7.980 2.773 -21.010 1.00 4.00 H new ATOM 0 HA THR A 84 -5.914 2.818 -19.125 1.00 64.54 H new ATOM 0 HB THR A 84 -4.487 3.451 -21.052 1.00 20.44 H new ATOM 0 HG1 THR A 84 -5.556 3.774 -23.112 1.00 3.24 H new ATOM 0 HG21 THR A 84 -5.014 1.527 -22.504 1.00 31.15 H new ATOM 0 HG22 THR A 84 -5.142 1.104 -20.780 1.00 31.15 H new ATOM 0 HG23 THR A 84 -6.614 1.392 -21.737 1.00 31.15 H new ATOM 1157 N THR A 85 -7.222 5.683 -19.742 1.00 63.22 N ATOM 1158 CA THR A 85 -7.202 7.104 -19.421 1.00 41.23 C ATOM 1159 C THR A 85 -7.727 7.357 -18.013 1.00 14.31 C ATOM 1160 O THR A 85 -7.730 8.492 -17.534 1.00 73.10 O ATOM 1161 CB THR A 85 -8.041 7.918 -20.424 1.00 51.31 C ATOM 1162 OG1 THR A 85 -9.426 7.580 -20.292 1.00 52.11 O ATOM 1163 CG2 THR A 85 -7.584 7.656 -21.851 1.00 45.10 C ATOM 0 H THR A 85 -8.107 5.349 -20.122 1.00 63.22 H new ATOM 0 HA THR A 85 -6.163 7.427 -19.481 1.00 41.23 H new ATOM 0 HB THR A 85 -7.903 8.977 -20.204 1.00 51.31 H new ATOM 0 HG1 THR A 85 -9.953 8.103 -20.932 1.00 52.11 H new ATOM 0 HG21 THR A 85 -8.191 8.242 -22.541 1.00 45.10 H new ATOM 0 HG22 THR A 85 -6.537 7.942 -21.956 1.00 45.10 H new ATOM 0 HG23 THR A 85 -7.695 6.596 -22.080 1.00 45.10 H new ATOM 1171 N THR A 86 -8.172 6.293 -17.352 1.00 21.12 N ATOM 1172 CA THR A 86 -8.700 6.400 -15.998 1.00 34.11 C ATOM 1173 C THR A 86 -7.578 6.586 -14.983 1.00 35.32 C ATOM 1174 O THR A 86 -6.505 5.999 -15.116 1.00 13.33 O ATOM 1175 CB THR A 86 -9.522 5.154 -15.616 1.00 12.44 C ATOM 1176 OG1 THR A 86 -10.692 5.068 -16.437 1.00 41.21 O ATOM 1177 CG2 THR A 86 -9.928 5.203 -14.150 1.00 61.32 C ATOM 0 H THR A 86 -8.177 5.347 -17.733 1.00 21.12 H new ATOM 0 HA THR A 86 -9.350 7.275 -15.980 1.00 34.11 H new ATOM 0 HB THR A 86 -8.901 4.273 -15.776 1.00 12.44 H new ATOM 0 HG1 THR A 86 -11.224 4.290 -16.168 1.00 41.21 H new ATOM 0 HG21 THR A 86 -10.507 4.313 -13.903 1.00 61.32 H new ATOM 0 HG22 THR A 86 -9.035 5.239 -13.526 1.00 61.32 H new ATOM 0 HG23 THR A 86 -10.533 6.092 -13.970 1.00 61.32 H new ATOM 1185 N ASN A 87 -7.834 7.405 -13.968 1.00 55.01 N ATOM 1186 CA ASN A 87 -6.845 7.668 -12.929 1.00 61.24 C ATOM 1187 C ASN A 87 -6.949 6.640 -11.807 1.00 10.25 C ATOM 1188 O ASN A 87 -7.979 6.535 -11.139 1.00 43.44 O ATOM 1189 CB ASN A 87 -7.030 9.078 -12.365 1.00 21.44 C ATOM 1190 CG ASN A 87 -5.725 9.684 -11.885 1.00 53.11 C ATOM 1191 OD1 ASN A 87 -4.657 9.390 -12.422 1.00 0.14 O ATOM 1192 ND2 ASN A 87 -5.807 10.536 -10.869 1.00 61.43 N ATOM 0 H ASN A 87 -8.718 7.898 -13.843 1.00 55.01 H new ATOM 0 HA ASN A 87 -5.854 7.591 -13.377 1.00 61.24 H new ATOM 0 HB2 ASN A 87 -7.465 9.719 -13.132 1.00 21.44 H new ATOM 0 HB3 ASN A 87 -7.739 9.045 -11.537 1.00 21.44 H new ATOM 0 HD21 ASN A 87 -4.963 10.976 -10.503 1.00 61.43 H new ATOM 0 HD22 ASN A 87 -6.714 10.750 -10.455 1.00 61.43 H new ATOM 1199 N CYS A 88 -5.876 5.884 -11.603 1.00 24.13 N ATOM 1200 CA CYS A 88 -5.844 4.864 -10.561 1.00 55.41 C ATOM 1201 C CYS A 88 -5.682 5.499 -9.183 1.00 41.51 C ATOM 1202 O CYS A 88 -5.746 4.816 -8.162 1.00 45.11 O ATOM 1203 CB CYS A 88 -4.704 3.878 -10.818 1.00 23.22 C ATOM 1204 SG CYS A 88 -4.461 3.463 -12.575 1.00 30.41 S ATOM 0 H CYS A 88 -5.016 5.958 -12.146 1.00 24.13 H new ATOM 0 HA CYS A 88 -6.792 4.326 -10.584 1.00 55.41 H new ATOM 0 HB2 CYS A 88 -3.779 4.298 -10.424 1.00 23.22 H new ATOM 0 HB3 CYS A 88 -4.899 2.961 -10.263 1.00 23.22 H new ATOM 1209 N ASN A 89 -5.472 6.812 -9.163 1.00 70.35 N ATOM 1210 CA ASN A 89 -5.300 7.540 -7.911 1.00 60.44 C ATOM 1211 C ASN A 89 -6.649 7.824 -7.258 1.00 21.13 C ATOM 1212 O ASN A 89 -6.728 8.082 -6.056 1.00 64.21 O ATOM 1213 CB ASN A 89 -4.554 8.852 -8.159 1.00 2.31 C ATOM 1214 CG ASN A 89 -3.315 8.661 -9.013 1.00 12.22 C ATOM 1215 OD1 ASN A 89 -3.409 8.385 -10.209 1.00 2.12 O ATOM 1216 ND2 ASN A 89 -2.146 8.807 -8.400 1.00 51.41 N ATOM 0 H ASN A 89 -5.417 7.393 -10.000 1.00 70.35 H new ATOM 0 HA ASN A 89 -4.713 6.918 -7.235 1.00 60.44 H new ATOM 0 HB2 ASN A 89 -5.223 9.560 -8.648 1.00 2.31 H new ATOM 0 HB3 ASN A 89 -4.269 9.291 -7.203 1.00 2.31 H new ATOM 0 HD21 ASN A 89 -1.278 8.690 -8.923 1.00 51.41 H new ATOM 0 HD22 ASN A 89 -2.116 9.036 -7.407 1.00 51.41 H new ATOM 1223 N THR A 90 -7.710 7.774 -8.057 1.00 51.41 N ATOM 1224 CA THR A 90 -9.056 8.027 -7.558 1.00 23.24 C ATOM 1225 C THR A 90 -9.763 6.724 -7.201 1.00 1.44 C ATOM 1226 O THR A 90 -10.984 6.691 -7.049 1.00 72.44 O ATOM 1227 CB THR A 90 -9.904 8.792 -8.591 1.00 31.13 C ATOM 1228 OG1 THR A 90 -10.186 7.949 -9.713 1.00 55.24 O ATOM 1229 CG2 THR A 90 -9.183 10.046 -9.060 1.00 52.54 C ATOM 0 H THR A 90 -7.663 7.560 -9.053 1.00 51.41 H new ATOM 0 HA THR A 90 -8.951 8.638 -6.662 1.00 23.24 H new ATOM 0 HB THR A 90 -10.839 9.087 -8.115 1.00 31.13 H new ATOM 0 HG1 THR A 90 -9.347 7.595 -10.076 1.00 55.24 H new ATOM 0 HG21 THR A 90 -9.801 10.570 -9.789 1.00 52.54 H new ATOM 0 HG22 THR A 90 -8.996 10.699 -8.207 1.00 52.54 H new ATOM 0 HG23 THR A 90 -8.234 9.770 -9.520 1.00 52.54 H new ATOM 1237 N VAL A 91 -8.988 5.653 -7.066 1.00 63.13 N ATOM 1238 CA VAL A 91 -9.540 4.348 -6.725 1.00 32.41 C ATOM 1239 C VAL A 91 -9.420 4.074 -5.230 1.00 22.30 C ATOM 1240 O VAL A 91 -9.526 2.930 -4.786 1.00 50.21 O ATOM 1241 CB VAL A 91 -8.835 3.219 -7.501 1.00 0.33 C ATOM 1242 CG1 VAL A 91 -8.599 3.631 -8.946 1.00 14.21 C ATOM 1243 CG2 VAL A 91 -7.525 2.846 -6.824 1.00 21.12 C ATOM 0 H VAL A 91 -7.975 5.664 -7.188 1.00 63.13 H new ATOM 0 HA VAL A 91 -10.593 4.368 -7.005 1.00 32.41 H new ATOM 0 HB VAL A 91 -9.482 2.341 -7.500 1.00 0.33 H new ATOM 0 HG11 VAL A 91 -8.100 2.821 -9.478 1.00 14.21 H new ATOM 0 HG12 VAL A 91 -9.555 3.845 -9.424 1.00 14.21 H new ATOM 0 HG13 VAL A 91 -7.973 4.523 -8.972 1.00 14.21 H new ATOM 0 HG21 VAL A 91 -7.040 2.047 -7.385 1.00 21.12 H new ATOM 0 HG22 VAL A 91 -6.870 3.717 -6.793 1.00 21.12 H new ATOM 0 HG23 VAL A 91 -7.725 2.506 -5.808 1.00 21.12 H new ATOM 1253 N LYS A 92 -9.198 5.131 -4.456 1.00 43.05 N ATOM 1254 CA LYS A 92 -9.064 5.007 -3.010 1.00 33.21 C ATOM 1255 C LYS A 92 -10.414 4.712 -2.362 1.00 44.23 C ATOM 1256 O LYS A 92 -11.256 5.600 -2.229 1.00 31.15 O ATOM 1257 CB LYS A 92 -8.472 6.289 -2.420 1.00 34.23 C ATOM 1258 CG LYS A 92 -9.219 7.547 -2.828 1.00 3.24 C ATOM 1259 CD LYS A 92 -8.266 8.630 -3.306 1.00 11.35 C ATOM 1260 CE LYS A 92 -7.639 9.376 -2.138 1.00 22.24 C ATOM 1261 NZ LYS A 92 -6.950 10.620 -2.579 1.00 52.15 N ATOM 0 H LYS A 92 -9.107 6.084 -4.807 1.00 43.05 H new ATOM 0 HA LYS A 92 -8.391 4.175 -2.802 1.00 33.21 H new ATOM 0 HB2 LYS A 92 -8.472 6.213 -1.333 1.00 34.23 H new ATOM 0 HB3 LYS A 92 -7.432 6.377 -2.733 1.00 34.23 H new ATOM 0 HG2 LYS A 92 -9.928 7.309 -3.621 1.00 3.24 H new ATOM 0 HG3 LYS A 92 -9.798 7.918 -1.982 1.00 3.24 H new ATOM 0 HD2 LYS A 92 -7.482 8.182 -3.916 1.00 11.35 H new ATOM 0 HD3 LYS A 92 -8.803 9.334 -3.942 1.00 11.35 H new ATOM 0 HE2 LYS A 92 -8.411 9.627 -1.411 1.00 22.24 H new ATOM 0 HE3 LYS A 92 -6.925 8.725 -1.633 1.00 22.24 H new ATOM 0 HZ1 LYS A 92 -6.536 11.099 -1.754 1.00 52.15 H new ATOM 0 HZ2 LYS A 92 -6.196 10.379 -3.253 1.00 52.15 H new ATOM 0 HZ3 LYS A 92 -7.636 11.253 -3.038 1.00 52.15 H new ATOM 1275 N PHE A 93 -10.611 3.461 -1.961 1.00 35.02 N ATOM 1276 CA PHE A 93 -11.858 3.050 -1.326 1.00 75.25 C ATOM 1277 C PHE A 93 -11.854 3.400 0.159 1.00 75.13 C ATOM 1278 O PHE A 93 -12.822 3.984 0.643 1.00 15.30 O ATOM 1279 CB PHE A 93 -12.076 1.546 -1.507 1.00 5.01 C ATOM 1280 CG PHE A 93 -13.168 0.990 -0.639 1.00 25.54 C ATOM 1281 CD1 PHE A 93 -14.497 1.115 -1.009 1.00 22.12 C ATOM 1282 CD2 PHE A 93 -12.865 0.342 0.548 1.00 23.51 C ATOM 1283 CE1 PHE A 93 -15.504 0.604 -0.212 1.00 71.43 C ATOM 1284 CE2 PHE A 93 -13.868 -0.172 1.348 1.00 24.13 C ATOM 1285 CZ PHE A 93 -15.189 -0.040 0.968 1.00 1.24 C ATOM 0 H PHE A 93 -9.924 2.714 -2.064 1.00 35.02 H new ATOM 0 HA PHE A 93 -12.675 3.589 -1.806 1.00 75.25 H new ATOM 0 HB2 PHE A 93 -12.315 1.345 -2.551 1.00 5.01 H new ATOM 0 HB3 PHE A 93 -11.146 1.023 -1.286 1.00 5.01 H new ATOM 0 HD1 PHE A 93 -14.749 1.618 -1.931 1.00 22.12 H new ATOM 0 HD2 PHE A 93 -11.834 0.238 0.851 1.00 23.51 H new ATOM 0 HE1 PHE A 93 -16.536 0.708 -0.512 1.00 71.43 H new ATOM 0 HE2 PHE A 93 -13.619 -0.677 2.270 1.00 24.13 H new ATOM 0 HZ PHE A 93 -15.974 -0.440 1.593 1.00 1.24 H new TER 1295 PHE A 93 HETATM 1296 C1 PGM A 101 9.685 -8.721 -22.087 1.00 12.11 C HETATM 1297 O1 PGM A 101 10.074 -10.094 -21.992 1.00 13.30 O HETATM 1298 C2 PGM A 101 10.836 -7.846 -22.609 1.00 74.43 C HETATM 1299 O2 PGM A 101 10.865 -7.965 -24.029 1.00 61.02 O HETATM 1300 C3 PGM A 101 10.438 -6.403 -22.304 1.00 51.34 C HETATM 1301 O4 PGM A 101 10.605 -6.052 -20.924 1.00 11.34 O HETATM 1302 P5 PGM A 101 10.135 -4.540 -20.602 1.00 21.11 P HETATM 1303 O5A PGM A 101 10.021 -3.553 -21.694 1.00 71.33 O HETATM 1304 O5B PGM A 101 10.865 -4.057 -19.417 1.00 72.31 O HETATM 1305 O6 PGM A 101 8.589 -4.709 -20.176 1.00 50.40 O HETATM 1306 C7 PGM A 101 8.406 -5.641 -19.120 1.00 21.33 C HETATM 1307 C8 PGM A 101 6.974 -6.093 -18.835 1.00 12.14 C HETATM 1308 O8 PGM A 101 6.369 -6.839 -19.902 1.00 33.33 O HETATM 1309 C9 PGM A 101 6.140 -4.845 -18.555 1.00 12.12 C HETATM 1310 OQ1 PGM A 101 4.584 -3.513 -20.273 1.00 30.21 O HETATM 1311 OQ2 PGM A 101 4.748 -5.159 -18.732 1.00 42.50 O HETATM 1312 CA PGM A 101 4.036 -4.360 -19.588 1.00 20.10 C HETATM 1313 CB PGM A 101 2.528 -4.556 -19.749 1.00 54.24 C HETATM 1314 CC PGM A 101 1.716 -3.526 -18.943 1.00 50.33 C HETATM 1315 CD PGM A 101 0.281 -4.057 -18.935 1.00 42.53 C HETATM 1316 CE PGM A 101 -0.733 -2.983 -18.511 1.00 34.25 C HETATM 1317 CF PGM A 101 -2.018 -3.539 -17.903 1.00 41.34 C HETATM 1318 CG PGM A 101 -3.174 -3.839 -18.866 1.00 33.25 C HETATM 1319 CH PGM A 101 -4.161 -2.683 -19.007 1.00 51.42 C HETATM 1320 CI PGM A 101 -5.255 -2.960 -17.965 1.00 44.23 C HETATM 1321 CJ PGM A 101 -4.825 -2.485 -16.578 1.00 71.25 C HETATM 1322 CK PGM A 101 -5.913 -1.681 -15.867 1.00 44.43 C HETATM 1323 CL PGM A 101 -6.595 -2.566 -14.823 1.00 21.43 C HETATM 1324 CM PGM A 101 -5.619 -2.567 -13.643 1.00 11.11 C HETATM 1325 CN PGM A 101 -5.832 -3.921 -12.981 1.00 74.33 C HETATM 1326 CO PGM A 101 -4.523 -4.263 -12.255 1.00 45.21 C HETATM 1327 CP PGM A 101 -4.212 -5.727 -11.941 1.00 13.35 C HETATM 0 HCP3 PGM A 101 -4.994 -6.136 -11.302 1.00 13.35 H new HETATM 0 HCP2 PGM A 101 -4.167 -6.297 -12.869 1.00 13.35 H new HETATM 0 HCP1 PGM A 101 -3.253 -5.793 -11.428 1.00 13.35 H new HETATM 0 HCO2 PGM A 101 -3.701 -3.873 -12.856 1.00 45.21 H new HETATM 0 HCO1 PGM A 101 -4.516 -3.715 -11.313 1.00 45.21 H new HETATM 0 HCN2 PGM A 101 -6.666 -3.883 -12.280 1.00 74.33 H new HETATM 0 HCN1 PGM A 101 -6.074 -4.682 -13.723 1.00 74.33 H new HETATM 0 HCM2 PGM A 101 -4.589 -2.446 -13.978 1.00 11.11 H new HETATM 0 HCM1 PGM A 101 -5.828 -1.749 -12.953 1.00 11.11 H new HETATM 0 HCL2 PGM A 101 -7.568 -2.167 -14.536 1.00 21.43 H new HETATM 0 HCL1 PGM A 101 -6.763 -3.574 -15.203 1.00 21.43 H new HETATM 0 HCK2 PGM A 101 -5.479 -0.803 -15.388 1.00 44.43 H new HETATM 0 HCK1 PGM A 101 -6.645 -1.321 -16.589 1.00 44.43 H new HETATM 0 HCJ2 PGM A 101 -4.560 -3.349 -15.968 1.00 71.25 H new HETATM 0 HCJ1 PGM A 101 -3.928 -1.873 -16.670 1.00 71.25 H new HETATM 0 HCI2 PGM A 101 -6.176 -2.455 -18.257 1.00 44.23 H new HETATM 0 HCI1 PGM A 101 -5.472 -4.028 -17.936 1.00 44.23 H new HETATM 0 HCH2 PGM A 101 -3.675 -1.725 -18.823 1.00 51.42 H new HETATM 0 HCH1 PGM A 101 -4.577 -2.641 -20.014 1.00 51.42 H new HETATM 0 HCG2 PGM A 101 -2.766 -4.080 -19.848 1.00 33.25 H new HETATM 0 HCG1 PGM A 101 -3.708 -4.723 -18.517 1.00 33.25 H new HETATM 0 HCF2 PGM A 101 -1.771 -4.459 -17.374 1.00 41.34 H new HETATM 0 HCF1 PGM A 101 -2.375 -2.828 -17.157 1.00 41.34 H new HETATM 0 HCE2 PGM A 101 -0.260 -2.319 -17.788 1.00 34.25 H new HETATM 0 HCE1 PGM A 101 -0.988 -2.377 -19.381 1.00 34.25 H new HETATM 0 HCD2 PGM A 101 0.025 -4.423 -19.929 1.00 42.53 H new HETATM 0 HCD1 PGM A 101 0.214 -4.906 -18.255 1.00 42.53 H new HETATM 0 HCC2 PGM A 101 2.104 -3.426 -17.929 1.00 50.33 H new HETATM 0 HCC1 PGM A 101 1.767 -2.539 -19.402 1.00 50.33 H new HETATM 0 HCB2 PGM A 101 2.264 -4.478 -20.804 1.00 54.24 H new HETATM 0 HCB1 PGM A 101 2.258 -5.561 -19.426 1.00 54.24 H new HETATM 0 HC92 PGM A 101 6.320 -4.493 -17.539 1.00 12.12 H new HETATM 0 HC91 PGM A 101 6.432 -4.039 -19.228 1.00 12.12 H new HETATM 0 HC72 PGM A 101 9.003 -6.526 -19.342 1.00 21.33 H new HETATM 0 HC71 PGM A 101 8.811 -5.203 -18.208 1.00 21.33 H new HETATM 0 HC32 PGM A 101 11.036 -5.730 -22.919 1.00 51.34 H new HETATM 0 HC31 PGM A 101 9.396 -6.252 -22.587 1.00 51.34 H new HETATM 0 HC12 PGM A 101 8.826 -8.630 -22.752 1.00 12.11 H new HETATM 0 HC11 PGM A 101 9.369 -8.362 -21.107 1.00 12.11 H new HETATM 0 HO8 PGM A 101 5.412 -6.631 -19.945 1.00 33.33 H new HETATM 0 HO2 PGM A 101 11.591 -7.414 -24.389 1.00 61.02 H new HETATM 0 HO1 PGM A 101 9.322 -10.625 -21.656 1.00 13.30 H new HETATM 0 HC8 PGM A 101 7.009 -6.771 -17.982 1.00 12.14 H new HETATM 0 HC2 PGM A 101 11.792 -8.128 -22.167 1.00 74.43 H new