USER MOD reduce.3.24.130724 H: found=0, std=0, add=1050, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 1045 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 122 MET CE :methyl -178:sc= -0.166 (180deg=-0.0818) USER MOD Set 1.2: A 126 GLN : amide:sc= 0.572 X(o=0.41,f=-0.082) USER MOD Set 2.1: A 113 THR OG1 : rot -56:sc= 1.3 USER MOD Set 2.2: A 114 HIS : no HE2:sc= 0.895 K(o=2.2,f=-2.4!) USER MOD Set 3.1: A 84 LYS NZ :NH3+ 158:sc= 1.7 (180deg=1.18) USER MOD Set 3.2: A 86 SER OG : rot -160:sc= 0.665 USER MOD Set 4.1: A 74 TYR OH : rot 13:sc= 1.03 USER MOD Set 4.2: A 108 TYR OH : rot 175:sc= 0.00823 USER MOD Set 5.1: A 72 ASN :FLIP amide:sc= -0.0852 F(o=-2.7,f=-1) USER MOD Set 5.2: A 95 MET CE :methyl -111:sc= -0.91 (180deg=-2.75) USER MOD Set 6.1: A 60 THR OG1 : rot 170:sc= -0.113 USER MOD Set 6.2: A 64 HIS : no HD1:sc= -0.845 K(o=-0.96,f=-1.8) USER MOD Single : A 1 ILE N :NH3+ -152:sc= 0.652 (180deg=-1.61!) USER MOD Single : A 3 LYS NZ :NH3+ 152:sc= 0 (180deg=-0.745) USER MOD Single : A 4 HIS : no HD1:sc=-0.00151 X(o=-0.0015,f=0) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -0.508 X(o=-0.51,f=-0.82) USER MOD Single : A 20 THR OG1 : rot 91:sc= 1.27 USER MOD Single : A 21 GLN :FLIP amide:sc= 0.0263 F(o=-2.2!,f=0.026) USER MOD Single : A 26 THR OG1 : rot -57:sc= 1.71 USER MOD Single : A 27 SER OG : rot 19:sc= 0.338 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= -0.549 X(o=-0.55,f=-0.18) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -0.0596 X(o=-0.06,f=-0.06) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.388 USER MOD Single : A 55 THR OG1 : rot 121:sc= 0.123 USER MOD Single : A 57 SER OG : rot 180:sc= 0.225 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -0.4 X(o=-0.4,f=-0.53) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 75 MET CE :methyl 145:sc= -0.228 (180deg=-3.93!) USER MOD Single : A 77 SER OG : rot 19:sc= 0.298 USER MOD Single : A 78 TYR OH : rot 108:sc= -0.326 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= -0.188 USER MOD Single : A 98 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 GLN : amide:sc=-0.00186 X(o=-0.0019,f=0) USER MOD Single : A 110 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 118 THR OG1 : rot 30:sc= 1.16 USER MOD Single : A 121 GLN : amide:sc= 1.21 K(o=1.2,f=-0.0035) USER MOD Single : A 127 GLN : amide:sc= 1.23 K(o=1.2,f=-0.045) USER MOD Single : A 128 MET CE :methyl 170:sc= -0.182 (180deg=-0.629) USER MOD Single : A 129 GLN : amide:sc= -0.132 K(o=-0.13,f=-0.82) USER MOD Single : A 134 ASN :FLIP amide:sc= 0.0118 F(o=-0.63,f=0.012) USER MOD Single : A 137 THR OG1 : rot 180:sc= 0 USER MOD Single : A 139 THR OG1 : rot 180:sc= 0 USER MOD Single : A 143 SER OG : rot 180:sc= 0 USER MOD Single : A 144 THR OG1 : rot 3:sc= 0.548 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 22.057 0.161 4.725 1.00 0.00 N ATOM 2 CA ILE A 1 23.061 0.407 5.763 1.00 0.00 C ATOM 3 C ILE A 1 24.437 0.130 5.151 1.00 0.00 C ATOM 4 O ILE A 1 24.894 -1.014 5.205 1.00 0.00 O ATOM 5 CB ILE A 1 22.784 -0.360 7.084 1.00 0.00 C ATOM 6 CG1 ILE A 1 21.386 -0.104 7.704 1.00 0.00 C ATOM 7 CG2 ILE A 1 23.822 0.052 8.145 1.00 0.00 C ATOM 8 CD1 ILE A 1 20.241 -0.936 7.116 1.00 0.00 C ATOM 0 H1 ILE A 1 21.221 0.753 4.904 1.00 0.00 H new ATOM 0 H2 ILE A 1 22.455 0.397 3.794 1.00 0.00 H new ATOM 0 H3 ILE A 1 21.781 -0.842 4.740 1.00 0.00 H new ATOM 0 HA ILE A 1 23.018 1.449 6.081 1.00 0.00 H new ATOM 0 HB ILE A 1 22.840 -1.414 6.814 1.00 0.00 H new ATOM 0 HG12 ILE A 1 21.441 -0.300 8.775 1.00 0.00 H new ATOM 0 HG13 ILE A 1 21.143 0.952 7.585 1.00 0.00 H new ATOM 0 HG21 ILE A 1 23.628 -0.486 9.073 1.00 0.00 H new ATOM 0 HG22 ILE A 1 24.823 -0.190 7.788 1.00 0.00 H new ATOM 0 HG23 ILE A 1 23.751 1.124 8.326 1.00 0.00 H new ATOM 0 HD11 ILE A 1 19.309 -0.680 7.620 1.00 0.00 H new ATOM 0 HD12 ILE A 1 20.148 -0.725 6.051 1.00 0.00 H new ATOM 0 HD13 ILE A 1 20.451 -1.996 7.259 1.00 0.00 H new ATOM 20 N PRO A 2 25.058 1.124 4.488 1.00 0.00 N ATOM 21 CA PRO A 2 26.459 1.044 4.085 1.00 0.00 C ATOM 22 C PRO A 2 27.374 1.112 5.316 1.00 0.00 C ATOM 23 O PRO A 2 26.984 1.639 6.359 1.00 0.00 O ATOM 24 CB PRO A 2 26.687 2.263 3.183 1.00 0.00 C ATOM 25 CG PRO A 2 25.711 3.300 3.738 1.00 0.00 C ATOM 26 CD PRO A 2 24.531 2.458 4.220 1.00 0.00 C ATOM 0 HA PRO A 2 26.684 0.109 3.573 1.00 0.00 H new ATOM 0 HB2 PRO A 2 27.718 2.614 3.234 1.00 0.00 H new ATOM 0 HB3 PRO A 2 26.479 2.034 2.138 1.00 0.00 H new ATOM 0 HG2 PRO A 2 26.154 3.873 4.552 1.00 0.00 H new ATOM 0 HG3 PRO A 2 25.408 4.015 2.973 1.00 0.00 H new ATOM 0 HD2 PRO A 2 24.088 2.888 5.118 1.00 0.00 H new ATOM 0 HD3 PRO A 2 23.746 2.421 3.464 1.00 0.00 H new ATOM 34 N LYS A 3 28.604 0.617 5.163 1.00 0.00 N ATOM 35 CA LYS A 3 29.798 0.733 6.014 1.00 0.00 C ATOM 36 C LYS A 3 30.857 -0.167 5.371 1.00 0.00 C ATOM 37 O LYS A 3 30.494 -1.020 4.559 1.00 0.00 O ATOM 38 CB LYS A 3 29.512 0.298 7.467 1.00 0.00 C ATOM 39 CG LYS A 3 29.329 1.490 8.427 1.00 0.00 C ATOM 40 CD LYS A 3 28.488 1.120 9.657 1.00 0.00 C ATOM 41 CE LYS A 3 27.001 0.992 9.290 1.00 0.00 C ATOM 42 NZ LYS A 3 26.192 0.445 10.400 1.00 0.00 N ATOM 0 H LYS A 3 28.816 0.055 4.338 1.00 0.00 H new ATOM 0 HA LYS A 3 30.132 1.769 6.076 1.00 0.00 H new ATOM 0 HB2 LYS A 3 28.613 -0.318 7.486 1.00 0.00 H new ATOM 0 HB3 LYS A 3 30.333 -0.325 7.822 1.00 0.00 H new ATOM 0 HG2 LYS A 3 30.307 1.847 8.751 1.00 0.00 H new ATOM 0 HG3 LYS A 3 28.850 2.312 7.895 1.00 0.00 H new ATOM 0 HD2 LYS A 3 28.845 0.179 10.076 1.00 0.00 H new ATOM 0 HD3 LYS A 3 28.612 1.880 10.428 1.00 0.00 H new ATOM 0 HE2 LYS A 3 26.613 1.971 9.009 1.00 0.00 H new ATOM 0 HE3 LYS A 3 26.899 0.347 8.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 25.216 0.797 10.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 26.190 -0.594 10.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 26.600 0.746 11.308 1.00 0.00 H new ATOM 56 N HIS A 4 32.128 -0.061 5.791 1.00 0.00 N ATOM 57 CA HIS A 4 33.247 -0.844 5.236 1.00 0.00 C ATOM 58 C HIS A 4 33.493 -0.529 3.746 1.00 0.00 C ATOM 59 O HIS A 4 32.712 0.210 3.144 1.00 0.00 O ATOM 60 CB HIS A 4 33.092 -2.352 5.558 1.00 0.00 C ATOM 61 CG HIS A 4 33.775 -2.735 6.846 1.00 0.00 C ATOM 62 ND1 HIS A 4 33.440 -2.288 8.106 1.00 0.00 N ATOM 63 CD2 HIS A 4 34.871 -3.547 6.969 1.00 0.00 C ATOM 64 CE1 HIS A 4 34.331 -2.808 8.968 1.00 0.00 C ATOM 65 NE2 HIS A 4 35.220 -3.576 8.322 1.00 0.00 N ATOM 0 H HIS A 4 32.412 0.578 6.534 1.00 0.00 H new ATOM 0 HA HIS A 4 34.164 -0.532 5.736 1.00 0.00 H new ATOM 0 HB2 HIS A 4 32.033 -2.600 5.623 1.00 0.00 H new ATOM 0 HB3 HIS A 4 33.508 -2.941 4.740 1.00 0.00 H new ATOM 0 HD2 HIS A 4 35.373 -4.069 6.168 1.00 0.00 H new ATOM 0 HE1 HIS A 4 34.331 -2.631 10.033 1.00 0.00 H new ATOM 0 HE2 HIS A 4 36.001 -4.084 8.738 1.00 0.00 H new ATOM 73 N PRO A 5 34.629 -0.940 3.148 1.00 0.00 N ATOM 74 CA PRO A 5 34.787 -0.935 1.697 1.00 0.00 C ATOM 75 C PRO A 5 33.844 -1.995 1.105 1.00 0.00 C ATOM 76 O PRO A 5 34.258 -3.114 0.811 1.00 0.00 O ATOM 77 CB PRO A 5 36.275 -1.210 1.446 1.00 0.00 C ATOM 78 CG PRO A 5 36.678 -2.065 2.647 1.00 0.00 C ATOM 79 CD PRO A 5 35.817 -1.505 3.781 1.00 0.00 C ATOM 0 HA PRO A 5 34.519 0.006 1.217 1.00 0.00 H new ATOM 0 HB2 PRO A 5 36.434 -1.737 0.505 1.00 0.00 H new ATOM 0 HB3 PRO A 5 36.853 -0.287 1.397 1.00 0.00 H new ATOM 0 HG2 PRO A 5 36.477 -3.122 2.474 1.00 0.00 H new ATOM 0 HG3 PRO A 5 37.742 -1.974 2.867 1.00 0.00 H new ATOM 0 HD2 PRO A 5 35.546 -2.289 4.488 1.00 0.00 H new ATOM 0 HD3 PRO A 5 36.359 -0.744 4.342 1.00 0.00 H new ATOM 87 N ASP A 6 32.562 -1.654 1.007 1.00 0.00 N ATOM 88 CA ASP A 6 31.455 -2.557 0.720 1.00 0.00 C ATOM 89 C ASP A 6 30.439 -1.797 -0.151 1.00 0.00 C ATOM 90 O ASP A 6 30.721 -0.672 -0.586 1.00 0.00 O ATOM 91 CB ASP A 6 30.869 -3.081 2.055 1.00 0.00 C ATOM 92 CG ASP A 6 30.760 -4.608 2.119 1.00 0.00 C ATOM 93 OD1 ASP A 6 30.640 -5.250 1.053 1.00 0.00 O ATOM 94 OD2 ASP A 6 30.785 -5.172 3.237 1.00 0.00 O ATOM 0 H ASP A 6 32.253 -0.690 1.132 1.00 0.00 H new ATOM 0 HA ASP A 6 31.771 -3.437 0.161 1.00 0.00 H new ATOM 0 HB2 ASP A 6 31.495 -2.735 2.878 1.00 0.00 H new ATOM 0 HB3 ASP A 6 29.880 -2.648 2.203 1.00 0.00 H new ATOM 99 N SER A 7 29.278 -2.380 -0.455 1.00 0.00 N ATOM 100 CA SER A 7 28.302 -1.805 -1.386 1.00 0.00 C ATOM 101 C SER A 7 27.434 -0.699 -0.749 1.00 0.00 C ATOM 102 O SER A 7 27.780 -0.165 0.305 1.00 0.00 O ATOM 103 CB SER A 7 27.544 -2.941 -2.088 1.00 0.00 C ATOM 104 OG SER A 7 26.653 -3.630 -1.236 1.00 0.00 O ATOM 0 H SER A 7 28.985 -3.273 -0.059 1.00 0.00 H new ATOM 0 HA SER A 7 28.820 -1.253 -2.170 1.00 0.00 H new ATOM 0 HB2 SER A 7 26.986 -2.530 -2.929 1.00 0.00 H new ATOM 0 HB3 SER A 7 28.264 -3.649 -2.498 1.00 0.00 H new ATOM 0 HG SER A 7 26.200 -4.338 -1.740 1.00 0.00 H new ATOM 110 N GLU A 8 26.341 -0.297 -1.415 1.00 0.00 N ATOM 111 CA GLU A 8 25.414 0.765 -1.001 1.00 0.00 C ATOM 112 C GLU A 8 26.044 2.170 -0.993 1.00 0.00 C ATOM 113 O GLU A 8 25.638 3.039 -0.223 1.00 0.00 O ATOM 114 CB GLU A 8 24.741 0.430 0.337 1.00 0.00 C ATOM 115 CG GLU A 8 23.860 -0.819 0.300 1.00 0.00 C ATOM 116 CD GLU A 8 23.065 -0.968 1.604 1.00 0.00 C ATOM 117 OE1 GLU A 8 22.414 0.013 2.038 1.00 0.00 O ATOM 118 OE2 GLU A 8 23.023 -2.069 2.194 1.00 0.00 O ATOM 0 H GLU A 8 26.067 -0.725 -2.299 1.00 0.00 H new ATOM 0 HA GLU A 8 24.640 0.802 -1.767 1.00 0.00 H new ATOM 0 HB2 GLU A 8 25.512 0.294 1.095 1.00 0.00 H new ATOM 0 HB3 GLU A 8 24.134 1.280 0.648 1.00 0.00 H new ATOM 0 HG2 GLU A 8 23.173 -0.759 -0.544 1.00 0.00 H new ATOM 0 HG3 GLU A 8 24.480 -1.702 0.145 1.00 0.00 H new ATOM 125 N ALA A 9 27.028 2.416 -1.859 1.00 0.00 N ATOM 126 CA ALA A 9 27.745 3.692 -1.949 1.00 0.00 C ATOM 127 C ALA A 9 27.694 4.298 -3.353 1.00 0.00 C ATOM 128 O ALA A 9 28.667 4.878 -3.843 1.00 0.00 O ATOM 129 CB ALA A 9 29.173 3.511 -1.425 1.00 0.00 C ATOM 0 H ALA A 9 27.356 1.722 -2.531 1.00 0.00 H new ATOM 0 HA ALA A 9 27.240 4.421 -1.316 1.00 0.00 H new ATOM 0 HB1 ALA A 9 29.708 4.459 -1.491 1.00 0.00 H new ATOM 0 HB2 ALA A 9 29.140 3.184 -0.386 1.00 0.00 H new ATOM 0 HB3 ALA A 9 29.688 2.761 -2.025 1.00 0.00 H new ATOM 135 N VAL A 10 26.540 4.191 -4.000 1.00 0.00 N ATOM 136 CA VAL A 10 26.248 4.777 -5.291 1.00 0.00 C ATOM 137 C VAL A 10 24.798 5.223 -5.191 1.00 0.00 C ATOM 138 O VAL A 10 23.945 4.456 -4.735 1.00 0.00 O ATOM 139 CB VAL A 10 26.558 3.793 -6.439 1.00 0.00 C ATOM 140 CG1 VAL A 10 25.805 2.459 -6.346 1.00 0.00 C ATOM 141 CG2 VAL A 10 26.294 4.439 -7.805 1.00 0.00 C ATOM 0 H VAL A 10 25.751 3.669 -3.618 1.00 0.00 H new ATOM 0 HA VAL A 10 26.878 5.633 -5.535 1.00 0.00 H new ATOM 0 HB VAL A 10 27.618 3.561 -6.333 1.00 0.00 H new ATOM 0 HG11 VAL A 10 26.080 1.826 -7.190 1.00 0.00 H new ATOM 0 HG12 VAL A 10 26.068 1.957 -5.415 1.00 0.00 H new ATOM 0 HG13 VAL A 10 24.731 2.645 -6.367 1.00 0.00 H new ATOM 0 HG21 VAL A 10 26.521 3.724 -8.596 1.00 0.00 H new ATOM 0 HG22 VAL A 10 25.247 4.734 -7.872 1.00 0.00 H new ATOM 0 HG23 VAL A 10 26.927 5.319 -7.920 1.00 0.00 H new ATOM 151 N ALA A 11 24.556 6.479 -5.564 1.00 0.00 N ATOM 152 CA ALA A 11 23.298 7.186 -5.407 1.00 0.00 C ATOM 153 C ALA A 11 22.778 7.250 -3.957 1.00 0.00 C ATOM 154 O ALA A 11 23.268 6.562 -3.052 1.00 0.00 O ATOM 155 CB ALA A 11 22.264 6.637 -6.400 1.00 0.00 C ATOM 0 H ALA A 11 25.273 7.055 -6.006 1.00 0.00 H new ATOM 0 HA ALA A 11 23.486 8.232 -5.649 1.00 0.00 H new ATOM 0 HB1 ALA A 11 21.322 7.172 -6.277 1.00 0.00 H new ATOM 0 HB2 ALA A 11 22.629 6.774 -7.418 1.00 0.00 H new ATOM 0 HB3 ALA A 11 22.106 5.575 -6.211 1.00 0.00 H new ATOM 161 N PRO A 12 21.791 8.121 -3.694 1.00 0.00 N ATOM 162 CA PRO A 12 20.875 7.882 -2.598 1.00 0.00 C ATOM 163 C PRO A 12 20.067 6.623 -2.899 1.00 0.00 C ATOM 164 O PRO A 12 19.789 6.292 -4.059 1.00 0.00 O ATOM 165 CB PRO A 12 20.019 9.139 -2.500 1.00 0.00 C ATOM 166 CG PRO A 12 20.022 9.691 -3.923 1.00 0.00 C ATOM 167 CD PRO A 12 21.381 9.277 -4.479 1.00 0.00 C ATOM 0 HA PRO A 12 21.368 7.705 -1.642 1.00 0.00 H new ATOM 0 HB2 PRO A 12 19.009 8.910 -2.162 1.00 0.00 H new ATOM 0 HB3 PRO A 12 20.438 9.854 -1.792 1.00 0.00 H new ATOM 0 HG2 PRO A 12 19.206 9.275 -4.514 1.00 0.00 H new ATOM 0 HG3 PRO A 12 19.901 10.774 -3.931 1.00 0.00 H new ATOM 0 HD2 PRO A 12 21.311 9.027 -5.538 1.00 0.00 H new ATOM 0 HD3 PRO A 12 22.104 10.088 -4.390 1.00 0.00 H new ATOM 175 N ASP A 13 19.691 5.919 -1.844 1.00 0.00 N ATOM 176 CA ASP A 13 18.872 4.725 -1.930 1.00 0.00 C ATOM 177 C ASP A 13 17.422 5.200 -2.132 1.00 0.00 C ATOM 178 O ASP A 13 17.121 6.387 -1.934 1.00 0.00 O ATOM 179 CB ASP A 13 19.060 3.954 -0.616 1.00 0.00 C ATOM 180 CG ASP A 13 20.015 2.780 -0.833 1.00 0.00 C ATOM 181 OD1 ASP A 13 19.582 1.664 -1.191 1.00 0.00 O ATOM 182 OD2 ASP A 13 21.236 3.025 -0.652 1.00 0.00 O ATOM 0 H ASP A 13 19.951 6.167 -0.889 1.00 0.00 H new ATOM 0 HA ASP A 13 19.140 4.063 -2.754 1.00 0.00 H new ATOM 0 HB2 ASP A 13 19.456 4.619 0.152 1.00 0.00 H new ATOM 0 HB3 ASP A 13 18.097 3.589 -0.257 1.00 0.00 H new ATOM 187 N PRO A 14 16.513 4.308 -2.540 1.00 0.00 N ATOM 188 CA PRO A 14 15.089 4.593 -2.639 1.00 0.00 C ATOM 189 C PRO A 14 14.464 4.778 -1.242 1.00 0.00 C ATOM 190 O PRO A 14 15.166 4.936 -0.247 1.00 0.00 O ATOM 191 CB PRO A 14 14.523 3.405 -3.432 1.00 0.00 C ATOM 192 CG PRO A 14 15.470 2.252 -3.112 1.00 0.00 C ATOM 193 CD PRO A 14 16.806 2.929 -2.889 1.00 0.00 C ATOM 0 HA PRO A 14 14.863 5.531 -3.145 1.00 0.00 H new ATOM 0 HB2 PRO A 14 13.501 3.176 -3.130 1.00 0.00 H new ATOM 0 HB3 PRO A 14 14.500 3.615 -4.501 1.00 0.00 H new ATOM 0 HG2 PRO A 14 15.147 1.704 -2.227 1.00 0.00 H new ATOM 0 HG3 PRO A 14 15.517 1.535 -3.931 1.00 0.00 H new ATOM 0 HD2 PRO A 14 17.363 2.436 -2.092 1.00 0.00 H new ATOM 0 HD3 PRO A 14 17.422 2.878 -3.787 1.00 0.00 H new ATOM 201 N PHE A 15 13.128 4.747 -1.179 1.00 0.00 N ATOM 202 CA PHE A 15 12.353 4.545 0.042 1.00 0.00 C ATOM 203 C PHE A 15 12.701 5.568 1.143 1.00 0.00 C ATOM 204 O PHE A 15 13.304 5.203 2.151 1.00 0.00 O ATOM 205 CB PHE A 15 12.553 3.085 0.513 1.00 0.00 C ATOM 206 CG PHE A 15 12.110 1.965 -0.420 1.00 0.00 C ATOM 207 CD1 PHE A 15 11.067 2.133 -1.355 1.00 0.00 C ATOM 208 CD2 PHE A 15 12.718 0.701 -0.297 1.00 0.00 C ATOM 209 CE1 PHE A 15 10.618 1.048 -2.130 1.00 0.00 C ATOM 210 CE2 PHE A 15 12.277 -0.380 -1.080 1.00 0.00 C ATOM 211 CZ PHE A 15 11.221 -0.212 -1.990 1.00 0.00 C ATOM 0 H PHE A 15 12.541 4.866 -2.005 1.00 0.00 H new ATOM 0 HA PHE A 15 11.298 4.714 -0.175 1.00 0.00 H new ATOM 0 HB2 PHE A 15 13.613 2.944 0.723 1.00 0.00 H new ATOM 0 HB3 PHE A 15 12.022 2.963 1.457 1.00 0.00 H new ATOM 0 HD1 PHE A 15 10.609 3.103 -1.477 1.00 0.00 H new ATOM 0 HD2 PHE A 15 13.528 0.561 0.403 1.00 0.00 H new ATOM 0 HE1 PHE A 15 9.809 1.184 -2.833 1.00 0.00 H new ATOM 0 HE2 PHE A 15 12.753 -1.344 -0.981 1.00 0.00 H new ATOM 0 HZ PHE A 15 10.874 -1.048 -2.579 1.00 0.00 H new ATOM 221 N ASN A 16 12.298 6.839 0.991 1.00 0.00 N ATOM 222 CA ASN A 16 12.735 7.927 1.885 1.00 0.00 C ATOM 223 C ASN A 16 11.557 8.689 2.507 1.00 0.00 C ATOM 224 O ASN A 16 10.594 8.985 1.795 1.00 0.00 O ATOM 225 CB ASN A 16 13.636 8.908 1.100 1.00 0.00 C ATOM 226 CG ASN A 16 14.955 9.188 1.815 1.00 0.00 C ATOM 227 OD1 ASN A 16 15.586 8.285 2.358 1.00 0.00 O ATOM 228 ND2 ASN A 16 15.421 10.421 1.837 1.00 0.00 N ATOM 0 H ASN A 16 11.665 7.142 0.251 1.00 0.00 H new ATOM 0 HA ASN A 16 13.291 7.472 2.705 1.00 0.00 H new ATOM 0 HB2 ASN A 16 13.842 8.496 0.112 1.00 0.00 H new ATOM 0 HB3 ASN A 16 13.102 9.846 0.949 1.00 0.00 H new ATOM 0 HD21 ASN A 16 16.305 10.624 2.305 1.00 0.00 H new ATOM 0 HD22 ASN A 16 14.898 11.172 1.386 1.00 0.00 H new ATOM 235 N PRO A 17 11.666 9.140 3.774 1.00 0.00 N ATOM 236 CA PRO A 17 10.588 9.822 4.488 1.00 0.00 C ATOM 237 C PRO A 17 10.371 11.243 3.973 1.00 0.00 C ATOM 238 O PRO A 17 9.261 11.769 4.094 1.00 0.00 O ATOM 239 CB PRO A 17 10.983 9.816 5.967 1.00 0.00 C ATOM 240 CG PRO A 17 12.506 9.802 5.894 1.00 0.00 C ATOM 241 CD PRO A 17 12.817 8.989 4.648 1.00 0.00 C ATOM 0 HA PRO A 17 9.639 9.310 4.332 1.00 0.00 H new ATOM 0 HB2 PRO A 17 10.609 10.695 6.492 1.00 0.00 H new ATOM 0 HB3 PRO A 17 10.592 8.943 6.489 1.00 0.00 H new ATOM 0 HG2 PRO A 17 12.910 10.812 5.821 1.00 0.00 H new ATOM 0 HG3 PRO A 17 12.942 9.348 6.784 1.00 0.00 H new ATOM 0 HD2 PRO A 17 13.725 9.349 4.164 1.00 0.00 H new ATOM 0 HD3 PRO A 17 12.983 7.941 4.897 1.00 0.00 H new ATOM 249 N ALA A 18 11.384 11.851 3.353 1.00 0.00 N ATOM 250 CA ALA A 18 11.294 13.122 2.643 1.00 0.00 C ATOM 251 C ALA A 18 10.128 13.192 1.647 1.00 0.00 C ATOM 252 O ALA A 18 9.633 14.280 1.358 1.00 0.00 O ATOM 253 CB ALA A 18 12.599 13.330 1.879 1.00 0.00 C ATOM 0 H ALA A 18 12.323 11.454 3.333 1.00 0.00 H new ATOM 0 HA ALA A 18 11.117 13.898 3.388 1.00 0.00 H new ATOM 0 HB1 ALA A 18 12.557 14.276 1.338 1.00 0.00 H new ATOM 0 HB2 ALA A 18 13.432 13.350 2.581 1.00 0.00 H new ATOM 0 HB3 ALA A 18 12.740 12.513 1.171 1.00 0.00 H new ATOM 259 N ALA A 19 9.658 12.063 1.123 1.00 0.00 N ATOM 260 CA ALA A 19 8.585 12.021 0.141 1.00 0.00 C ATOM 261 C ALA A 19 7.188 11.873 0.771 1.00 0.00 C ATOM 262 O ALA A 19 6.200 11.912 0.040 1.00 0.00 O ATOM 263 CB ALA A 19 8.924 10.882 -0.809 1.00 0.00 C ATOM 0 H ALA A 19 10.018 11.142 1.373 1.00 0.00 H new ATOM 0 HA ALA A 19 8.524 12.969 -0.393 1.00 0.00 H new ATOM 0 HB1 ALA A 19 8.150 10.802 -1.572 1.00 0.00 H new ATOM 0 HB2 ALA A 19 9.884 11.079 -1.286 1.00 0.00 H new ATOM 0 HB3 ALA A 19 8.981 9.948 -0.251 1.00 0.00 H new ATOM 269 N THR A 20 7.081 11.750 2.102 1.00 0.00 N ATOM 270 CA THR A 20 5.806 11.573 2.801 1.00 0.00 C ATOM 271 C THR A 20 4.843 12.714 2.455 1.00 0.00 C ATOM 272 O THR A 20 3.772 12.470 1.918 1.00 0.00 O ATOM 273 CB THR A 20 6.027 11.473 4.323 1.00 0.00 C ATOM 274 OG1 THR A 20 6.991 10.502 4.646 1.00 0.00 O ATOM 275 CG2 THR A 20 4.758 11.107 5.096 1.00 0.00 C ATOM 0 H THR A 20 7.887 11.771 2.727 1.00 0.00 H new ATOM 0 HA THR A 20 5.356 10.638 2.468 1.00 0.00 H new ATOM 0 HB THR A 20 6.358 12.470 4.614 1.00 0.00 H new ATOM 0 HG1 THR A 20 7.877 10.919 4.679 1.00 0.00 H new ATOM 0 HG21 THR A 20 4.984 11.053 6.161 1.00 0.00 H new ATOM 0 HG22 THR A 20 3.996 11.867 4.924 1.00 0.00 H new ATOM 0 HG23 THR A 20 4.390 10.140 4.754 1.00 0.00 H new ATOM 283 N GLN A 21 5.214 13.965 2.730 1.00 0.00 N ATOM 284 CA GLN A 21 4.372 15.142 2.501 1.00 0.00 C ATOM 285 C GLN A 21 3.934 15.349 1.046 1.00 0.00 C ATOM 286 O GLN A 21 3.029 16.140 0.790 1.00 0.00 O ATOM 287 CB GLN A 21 5.120 16.390 2.986 1.00 0.00 C ATOM 288 CG GLN A 21 6.550 16.520 2.426 1.00 0.00 C ATOM 289 CD GLN A 21 7.597 16.187 3.477 1.00 0.00 C ATOM 290 OE1 GLN A 21 8.059 14.949 3.516 1.00 0.00 O flip ATOM 291 NE2 GLN A 21 8.003 17.048 4.249 1.00 0.00 N flip ATOM 0 H GLN A 21 6.126 14.194 3.126 1.00 0.00 H new ATOM 0 HA GLN A 21 3.454 14.970 3.064 1.00 0.00 H new ATOM 0 HB2 GLN A 21 4.549 17.275 2.706 1.00 0.00 H new ATOM 0 HB3 GLN A 21 5.167 16.373 4.075 1.00 0.00 H new ATOM 0 HG2 GLN A 21 6.668 15.854 1.571 1.00 0.00 H new ATOM 0 HG3 GLN A 21 6.708 17.536 2.064 1.00 0.00 H new ATOM 0 HE21 GLN A 21 7.630 17.996 4.198 1.00 0.00 H new ATOM 0 HE22 GLN A 21 8.714 16.817 4.943 1.00 0.00 H new ATOM 300 N LEU A 22 4.563 14.673 0.086 1.00 0.00 N ATOM 301 CA LEU A 22 4.202 14.787 -1.321 1.00 0.00 C ATOM 302 C LEU A 22 3.003 13.872 -1.621 1.00 0.00 C ATOM 303 O LEU A 22 2.488 13.881 -2.734 1.00 0.00 O ATOM 304 CB LEU A 22 5.430 14.472 -2.203 1.00 0.00 C ATOM 305 CG LEU A 22 6.421 15.640 -2.385 1.00 0.00 C ATOM 306 CD1 LEU A 22 7.038 16.140 -1.079 1.00 0.00 C ATOM 307 CD2 LEU A 22 7.566 15.183 -3.293 1.00 0.00 C ATOM 0 H LEU A 22 5.336 14.032 0.264 1.00 0.00 H new ATOM 0 HA LEU A 22 3.896 15.807 -1.553 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.964 13.627 -1.767 1.00 0.00 H new ATOM 0 HB3 LEU A 22 5.081 14.156 -3.186 1.00 0.00 H new ATOM 0 HG LEU A 22 5.847 16.462 -2.813 1.00 0.00 H new ATOM 0 HD11 LEU A 22 7.723 16.961 -1.291 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.248 16.489 -0.414 1.00 0.00 H new ATOM 0 HD13 LEU A 22 7.583 15.327 -0.600 1.00 0.00 H new ATOM 0 HD21 LEU A 22 8.272 16.002 -3.428 1.00 0.00 H new ATOM 0 HD22 LEU A 22 8.076 14.335 -2.836 1.00 0.00 H new ATOM 0 HD23 LEU A 22 7.165 14.886 -4.262 1.00 0.00 H new ATOM 319 N LEU A 23 2.550 13.056 -0.662 1.00 0.00 N ATOM 320 CA LEU A 23 1.426 12.137 -0.845 1.00 0.00 C ATOM 321 C LEU A 23 0.089 12.871 -0.992 1.00 0.00 C ATOM 322 O LEU A 23 -0.892 12.236 -1.364 1.00 0.00 O ATOM 323 CB LEU A 23 1.351 11.156 0.344 1.00 0.00 C ATOM 324 CG LEU A 23 2.432 10.058 0.311 1.00 0.00 C ATOM 325 CD1 LEU A 23 2.610 9.372 1.671 1.00 0.00 C ATOM 326 CD2 LEU A 23 2.068 8.978 -0.708 1.00 0.00 C ATOM 0 H LEU A 23 2.959 13.017 0.271 1.00 0.00 H new ATOM 0 HA LEU A 23 1.603 11.591 -1.771 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.445 11.718 1.273 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.368 10.685 0.354 1.00 0.00 H new ATOM 0 HG LEU A 23 3.362 10.556 0.038 1.00 0.00 H new ATOM 0 HD11 LEU A 23 3.383 8.607 1.594 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.904 10.111 2.416 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.670 8.909 1.971 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.842 8.211 -0.718 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.114 8.527 -0.435 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.988 9.425 -1.699 1.00 0.00 H new ATOM 338 N ASP A 24 0.033 14.173 -0.707 1.00 0.00 N ATOM 339 CA ASP A 24 -1.215 14.929 -0.548 1.00 0.00 C ATOM 340 C ASP A 24 -1.994 15.138 -1.857 1.00 0.00 C ATOM 341 O ASP A 24 -3.121 15.627 -1.830 1.00 0.00 O ATOM 342 CB ASP A 24 -0.926 16.274 0.145 1.00 0.00 C ATOM 343 CG ASP A 24 -1.683 16.405 1.469 1.00 0.00 C ATOM 344 OD1 ASP A 24 -2.923 16.561 1.474 1.00 0.00 O ATOM 345 OD2 ASP A 24 -1.025 16.401 2.540 1.00 0.00 O ATOM 0 H ASP A 24 0.868 14.744 -0.577 1.00 0.00 H new ATOM 0 HA ASP A 24 -1.868 14.322 0.079 1.00 0.00 H new ATOM 0 HB2 ASP A 24 0.145 16.366 0.328 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.208 17.092 -0.518 1.00 0.00 H new ATOM 350 N ASP A 25 -1.405 14.777 -3.002 1.00 0.00 N ATOM 351 CA ASP A 25 -1.983 14.868 -4.346 1.00 0.00 C ATOM 352 C ASP A 25 -1.603 13.574 -5.075 1.00 0.00 C ATOM 353 O ASP A 25 -0.814 13.582 -6.027 1.00 0.00 O ATOM 354 CB ASP A 25 -1.407 16.081 -5.118 1.00 0.00 C ATOM 355 CG ASP A 25 -2.147 17.402 -5.005 1.00 0.00 C ATOM 356 OD1 ASP A 25 -3.362 17.445 -4.722 1.00 0.00 O ATOM 357 OD2 ASP A 25 -1.534 18.415 -5.411 1.00 0.00 O ATOM 0 H ASP A 25 -0.460 14.392 -3.016 1.00 0.00 H new ATOM 0 HA ASP A 25 -3.063 14.999 -4.285 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -0.383 16.239 -4.779 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -1.356 15.814 -6.174 1.00 0.00 H new ATOM 362 N THR A 26 -2.064 12.423 -4.585 1.00 0.00 N ATOM 363 CA THR A 26 -1.705 11.140 -5.181 1.00 0.00 C ATOM 364 C THR A 26 -2.895 10.188 -5.184 1.00 0.00 C ATOM 365 O THR A 26 -4.026 10.556 -4.852 1.00 0.00 O ATOM 366 CB THR A 26 -0.438 10.561 -4.513 1.00 0.00 C ATOM 367 OG1 THR A 26 -0.631 10.267 -3.148 1.00 0.00 O ATOM 368 CG2 THR A 26 0.811 11.433 -4.611 1.00 0.00 C ATOM 0 H THR A 26 -2.685 12.355 -3.779 1.00 0.00 H new ATOM 0 HA THR A 26 -1.447 11.290 -6.229 1.00 0.00 H new ATOM 0 HB THR A 26 -0.267 9.654 -5.093 1.00 0.00 H new ATOM 0 HG1 THR A 26 -0.925 11.075 -2.678 1.00 0.00 H new ATOM 0 HG21 THR A 26 1.642 10.936 -4.111 1.00 0.00 H new ATOM 0 HG22 THR A 26 1.062 11.593 -5.660 1.00 0.00 H new ATOM 0 HG23 THR A 26 0.622 12.394 -4.132 1.00 0.00 H new ATOM 376 N SER A 27 -2.671 8.955 -5.631 1.00 0.00 N ATOM 377 CA SER A 27 -3.695 7.940 -5.607 1.00 0.00 C ATOM 378 C SER A 27 -3.101 6.583 -5.323 1.00 0.00 C ATOM 379 O SER A 27 -3.400 6.030 -4.275 1.00 0.00 O ATOM 380 CB SER A 27 -4.514 7.979 -6.895 1.00 0.00 C ATOM 381 OG SER A 27 -5.457 9.026 -6.844 1.00 0.00 O ATOM 0 H SER A 27 -1.779 8.643 -6.015 1.00 0.00 H new ATOM 0 HA SER A 27 -4.386 8.147 -4.789 1.00 0.00 H new ATOM 0 HB2 SER A 27 -3.853 8.117 -7.750 1.00 0.00 H new ATOM 0 HB3 SER A 27 -5.025 7.027 -7.038 1.00 0.00 H new ATOM 0 HG SER A 27 -5.188 9.675 -6.161 1.00 0.00 H new ATOM 387 N TRP A 28 -2.194 6.113 -6.175 1.00 0.00 N ATOM 388 CA TRP A 28 -1.569 4.799 -6.094 1.00 0.00 C ATOM 389 C TRP A 28 -2.559 3.668 -6.386 1.00 0.00 C ATOM 390 O TRP A 28 -3.777 3.815 -6.291 1.00 0.00 O ATOM 391 CB TRP A 28 -0.813 4.570 -4.764 1.00 0.00 C ATOM 392 CG TRP A 28 -0.010 5.718 -4.228 1.00 0.00 C ATOM 393 CD1 TRP A 28 -0.503 6.719 -3.467 1.00 0.00 C ATOM 394 CD2 TRP A 28 1.408 6.023 -4.400 1.00 0.00 C ATOM 395 NE1 TRP A 28 0.466 7.666 -3.256 1.00 0.00 N ATOM 396 CE2 TRP A 28 1.672 7.293 -3.803 1.00 0.00 C ATOM 397 CE3 TRP A 28 2.491 5.382 -5.038 1.00 0.00 C ATOM 398 CZ2 TRP A 28 2.929 7.912 -3.874 1.00 0.00 C ATOM 399 CZ3 TRP A 28 3.750 6.006 -5.125 1.00 0.00 C ATOM 400 CH2 TRP A 28 3.978 7.259 -4.535 1.00 0.00 C ATOM 0 H TRP A 28 -1.863 6.659 -6.970 1.00 0.00 H new ATOM 0 HA TRP A 28 -0.816 4.780 -6.882 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -1.542 4.284 -4.006 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -0.142 3.721 -4.898 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -1.511 6.767 -3.082 1.00 0.00 H new ATOM 0 HE1 TRP A 28 0.311 8.541 -2.754 1.00 0.00 H new ATOM 0 HE3 TRP A 28 2.352 4.400 -5.465 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 3.086 8.881 -3.424 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 4.552 5.513 -5.654 1.00 0.00 H new ATOM 0 HH2 TRP A 28 4.955 7.717 -4.590 1.00 0.00 H new ATOM 411 N VAL A 29 -2.022 2.508 -6.748 1.00 0.00 N ATOM 412 CA VAL A 29 -2.764 1.264 -6.879 1.00 0.00 C ATOM 413 C VAL A 29 -1.885 0.209 -6.236 1.00 0.00 C ATOM 414 O VAL A 29 -0.687 0.147 -6.517 1.00 0.00 O ATOM 415 CB VAL A 29 -3.073 0.936 -8.353 1.00 0.00 C ATOM 416 CG1 VAL A 29 -4.077 -0.220 -8.463 1.00 0.00 C ATOM 417 CG2 VAL A 29 -3.635 2.131 -9.112 1.00 0.00 C ATOM 0 H VAL A 29 -1.030 2.407 -6.964 1.00 0.00 H new ATOM 0 HA VAL A 29 -3.739 1.322 -6.394 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.120 0.653 -8.801 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -4.277 -0.430 -9.514 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -3.662 -1.109 -7.988 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -5.006 0.057 -7.965 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.835 1.845 -10.145 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -4.562 2.459 -8.640 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.911 2.946 -9.095 1.00 0.00 H new ATOM 427 N LEU A 30 -2.446 -0.582 -5.330 1.00 0.00 N ATOM 428 CA LEU A 30 -1.702 -1.666 -4.703 1.00 0.00 C ATOM 429 C LEU A 30 -1.406 -2.729 -5.764 1.00 0.00 C ATOM 430 O LEU A 30 -2.194 -2.867 -6.703 1.00 0.00 O ATOM 431 CB LEU A 30 -2.520 -2.216 -3.524 1.00 0.00 C ATOM 432 CG LEU A 30 -1.798 -3.314 -2.724 1.00 0.00 C ATOM 433 CD1 LEU A 30 -0.530 -2.794 -2.041 1.00 0.00 C ATOM 434 CD2 LEU A 30 -2.738 -3.891 -1.662 1.00 0.00 C ATOM 0 H LEU A 30 -3.412 -0.493 -5.014 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.749 -1.320 -4.303 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.769 -1.394 -2.852 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -3.461 -2.615 -3.902 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.506 -4.088 -3.433 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -0.055 -3.605 -1.489 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.160 -2.416 -2.795 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.791 -1.990 -1.352 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.219 -4.668 -1.100 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -3.049 -3.098 -0.982 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.616 -4.319 -2.147 1.00 0.00 H new ATOM 446 N SER A 31 -0.314 -3.496 -5.653 1.00 0.00 N ATOM 447 CA SER A 31 -0.046 -4.558 -6.620 1.00 0.00 C ATOM 448 C SER A 31 0.611 -5.822 -6.044 1.00 0.00 C ATOM 449 O SER A 31 0.440 -6.891 -6.633 1.00 0.00 O ATOM 450 CB SER A 31 0.765 -3.980 -7.793 1.00 0.00 C ATOM 451 OG SER A 31 0.619 -4.781 -8.949 1.00 0.00 O ATOM 0 H SER A 31 0.385 -3.401 -4.916 1.00 0.00 H new ATOM 0 HA SER A 31 -1.018 -4.911 -6.966 1.00 0.00 H new ATOM 0 HB2 SER A 31 0.432 -2.964 -8.005 1.00 0.00 H new ATOM 0 HB3 SER A 31 1.818 -3.920 -7.518 1.00 0.00 H new ATOM 0 HG SER A 31 1.141 -4.395 -9.683 1.00 0.00 H new ATOM 457 N ALA A 32 1.318 -5.780 -4.907 1.00 0.00 N ATOM 458 CA ALA A 32 1.859 -7.000 -4.300 1.00 0.00 C ATOM 459 C ALA A 32 1.870 -6.872 -2.786 1.00 0.00 C ATOM 460 O ALA A 32 2.113 -5.779 -2.276 1.00 0.00 O ATOM 461 CB ALA A 32 3.278 -7.275 -4.809 1.00 0.00 C ATOM 0 H ALA A 32 1.526 -4.923 -4.394 1.00 0.00 H new ATOM 0 HA ALA A 32 1.219 -7.836 -4.584 1.00 0.00 H new ATOM 0 HB1 ALA A 32 3.661 -8.185 -4.346 1.00 0.00 H new ATOM 0 HB2 ALA A 32 3.258 -7.399 -5.892 1.00 0.00 H new ATOM 0 HB3 ALA A 32 3.926 -6.437 -4.552 1.00 0.00 H new ATOM 467 N TRP A 33 1.649 -7.989 -2.088 1.00 0.00 N ATOM 468 CA TRP A 33 1.660 -8.109 -0.635 1.00 0.00 C ATOM 469 C TRP A 33 2.442 -9.375 -0.325 1.00 0.00 C ATOM 470 O TRP A 33 1.999 -10.480 -0.636 1.00 0.00 O ATOM 471 CB TRP A 33 0.216 -8.146 -0.091 1.00 0.00 C ATOM 472 CG TRP A 33 -0.102 -8.302 1.365 1.00 0.00 C ATOM 473 CD1 TRP A 33 0.652 -8.877 2.330 1.00 0.00 C ATOM 474 CD2 TRP A 33 -1.359 -7.949 2.013 1.00 0.00 C ATOM 475 NE1 TRP A 33 0.002 -8.790 3.544 1.00 0.00 N ATOM 476 CE2 TRP A 33 -1.245 -8.224 3.405 1.00 0.00 C ATOM 477 CE3 TRP A 33 -2.584 -7.416 1.553 1.00 0.00 C ATOM 478 CZ2 TRP A 33 -2.275 -7.922 4.303 1.00 0.00 C ATOM 479 CZ3 TRP A 33 -3.658 -7.208 2.439 1.00 0.00 C ATOM 480 CH2 TRP A 33 -3.493 -7.446 3.811 1.00 0.00 C ATOM 0 H TRP A 33 1.448 -8.877 -2.548 1.00 0.00 H new ATOM 0 HA TRP A 33 2.133 -7.255 -0.150 1.00 0.00 H new ATOM 0 HB2 TRP A 33 -0.261 -7.221 -0.415 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -0.289 -8.962 -0.608 1.00 0.00 H new ATOM 0 HD1 TRP A 33 1.617 -9.335 2.174 1.00 0.00 H new ATOM 0 HE1 TRP A 33 0.395 -9.105 4.431 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -2.698 -7.165 0.509 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -2.130 -8.055 5.365 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -4.610 -6.865 2.062 1.00 0.00 H new ATOM 0 HH2 TRP A 33 -4.311 -7.260 4.491 1.00 0.00 H new ATOM 491 N LYS A 34 3.629 -9.231 0.251 1.00 0.00 N ATOM 492 CA LYS A 34 4.392 -10.315 0.833 1.00 0.00 C ATOM 493 C LYS A 34 4.126 -10.253 2.338 1.00 0.00 C ATOM 494 O LYS A 34 4.039 -9.152 2.880 1.00 0.00 O ATOM 495 CB LYS A 34 5.871 -10.096 0.447 1.00 0.00 C ATOM 496 CG LYS A 34 6.589 -11.393 0.057 1.00 0.00 C ATOM 497 CD LYS A 34 6.844 -11.574 -1.434 1.00 0.00 C ATOM 498 CE LYS A 34 8.196 -11.017 -1.878 1.00 0.00 C ATOM 499 NZ LYS A 34 8.381 -11.137 -3.338 1.00 0.00 N ATOM 0 H LYS A 34 4.097 -8.328 0.325 1.00 0.00 H new ATOM 0 HA LYS A 34 4.118 -11.309 0.479 1.00 0.00 H new ATOM 0 HB2 LYS A 34 5.923 -9.394 -0.386 1.00 0.00 H new ATOM 0 HB3 LYS A 34 6.395 -9.636 1.285 1.00 0.00 H new ATOM 0 HG2 LYS A 34 7.545 -11.431 0.579 1.00 0.00 H new ATOM 0 HG3 LYS A 34 5.998 -12.237 0.413 1.00 0.00 H new ATOM 0 HD2 LYS A 34 6.795 -12.635 -1.680 1.00 0.00 H new ATOM 0 HD3 LYS A 34 6.051 -11.080 -1.996 1.00 0.00 H new ATOM 0 HE2 LYS A 34 8.272 -9.970 -1.586 1.00 0.00 H new ATOM 0 HE3 LYS A 34 8.996 -11.550 -1.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 9.309 -10.749 -3.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 8.333 -12.139 -3.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 7.632 -10.607 -3.828 1.00 0.00 H new ATOM 513 N GLN A 35 3.945 -11.393 3.004 1.00 0.00 N ATOM 514 CA GLN A 35 3.943 -11.479 4.466 1.00 0.00 C ATOM 515 C GLN A 35 5.323 -11.115 5.029 1.00 0.00 C ATOM 516 O GLN A 35 6.198 -10.636 4.297 1.00 0.00 O ATOM 517 CB GLN A 35 3.453 -12.859 4.925 1.00 0.00 C ATOM 518 CG GLN A 35 2.036 -13.182 4.418 1.00 0.00 C ATOM 519 CD GLN A 35 1.442 -14.483 4.956 1.00 0.00 C ATOM 520 OE1 GLN A 35 0.331 -14.857 4.587 1.00 0.00 O ATOM 521 NE2 GLN A 35 2.140 -15.225 5.801 1.00 0.00 N ATOM 0 H GLN A 35 3.794 -12.290 2.542 1.00 0.00 H new ATOM 0 HA GLN A 35 3.240 -10.750 4.868 1.00 0.00 H new ATOM 0 HB2 GLN A 35 4.145 -13.623 4.570 1.00 0.00 H new ATOM 0 HB3 GLN A 35 3.464 -12.901 6.014 1.00 0.00 H new ATOM 0 HG2 GLN A 35 1.373 -12.359 4.686 1.00 0.00 H new ATOM 0 HG3 GLN A 35 2.058 -13.232 3.329 1.00 0.00 H new ATOM 0 HE21 GLN A 35 3.062 -14.917 6.109 1.00 0.00 H new ATOM 0 HE22 GLN A 35 1.756 -16.105 6.144 1.00 0.00 H new ATOM 530 N ALA A 36 5.569 -11.326 6.316 1.00 0.00 N ATOM 531 CA ALA A 36 6.893 -11.105 6.859 1.00 0.00 C ATOM 532 C ALA A 36 7.916 -12.136 6.404 1.00 0.00 C ATOM 533 O ALA A 36 9.093 -11.790 6.293 1.00 0.00 O ATOM 534 CB ALA A 36 6.816 -11.040 8.382 1.00 0.00 C ATOM 0 H ALA A 36 4.875 -11.646 6.992 1.00 0.00 H new ATOM 0 HA ALA A 36 7.247 -10.152 6.467 1.00 0.00 H new ATOM 0 HB1 ALA A 36 7.813 -10.874 8.790 1.00 0.00 H new ATOM 0 HB2 ALA A 36 6.161 -10.221 8.679 1.00 0.00 H new ATOM 0 HB3 ALA A 36 6.419 -11.979 8.767 1.00 0.00 H new ATOM 540 N ASP A 37 7.495 -13.363 6.107 1.00 0.00 N ATOM 541 CA ASP A 37 8.460 -14.468 5.967 1.00 0.00 C ATOM 542 C ASP A 37 9.104 -14.467 4.583 1.00 0.00 C ATOM 543 O ASP A 37 10.314 -14.583 4.403 1.00 0.00 O ATOM 544 CB ASP A 37 7.766 -15.813 6.190 1.00 0.00 C ATOM 545 CG ASP A 37 8.768 -16.965 6.091 1.00 0.00 C ATOM 546 OD1 ASP A 37 9.054 -17.436 4.969 1.00 0.00 O ATOM 547 OD2 ASP A 37 9.250 -17.408 7.158 1.00 0.00 O ATOM 0 H ASP A 37 6.519 -13.621 5.960 1.00 0.00 H new ATOM 0 HA ASP A 37 9.235 -14.323 6.719 1.00 0.00 H new ATOM 0 HB2 ASP A 37 7.289 -15.823 7.170 1.00 0.00 H new ATOM 0 HB3 ASP A 37 6.977 -15.947 5.450 1.00 0.00 H new ATOM 552 N GLY A 38 8.252 -14.297 3.590 1.00 0.00 N ATOM 553 CA GLY A 38 8.476 -14.513 2.164 1.00 0.00 C ATOM 554 C GLY A 38 7.267 -15.141 1.464 1.00 0.00 C ATOM 555 O GLY A 38 7.264 -15.221 0.235 1.00 0.00 O ATOM 0 H GLY A 38 7.301 -13.976 3.771 1.00 0.00 H new ATOM 0 HA2 GLY A 38 8.711 -13.561 1.689 1.00 0.00 H new ATOM 0 HA3 GLY A 38 9.344 -15.159 2.030 1.00 0.00 H new ATOM 559 N THR A 39 6.214 -15.514 2.204 1.00 0.00 N ATOM 560 CA THR A 39 4.921 -15.863 1.639 1.00 0.00 C ATOM 561 C THR A 39 4.333 -14.655 0.916 1.00 0.00 C ATOM 562 O THR A 39 3.751 -13.773 1.544 1.00 0.00 O ATOM 563 CB THR A 39 3.977 -16.399 2.728 1.00 0.00 C ATOM 564 OG1 THR A 39 4.560 -17.493 3.413 1.00 0.00 O ATOM 565 CG2 THR A 39 2.639 -16.869 2.145 1.00 0.00 C ATOM 0 H THR A 39 6.245 -15.580 3.221 1.00 0.00 H new ATOM 0 HA THR A 39 5.050 -16.663 0.910 1.00 0.00 H new ATOM 0 HB THR A 39 3.803 -15.570 3.414 1.00 0.00 H new ATOM 0 HG1 THR A 39 3.941 -17.815 4.101 1.00 0.00 H new ATOM 0 HG21 THR A 39 2.002 -17.240 2.948 1.00 0.00 H new ATOM 0 HG22 THR A 39 2.146 -16.034 1.647 1.00 0.00 H new ATOM 0 HG23 THR A 39 2.816 -17.668 1.425 1.00 0.00 H new ATOM 573 N ALA A 40 4.452 -14.612 -0.409 1.00 0.00 N ATOM 574 CA ALA A 40 3.580 -13.775 -1.206 1.00 0.00 C ATOM 575 C ALA A 40 2.133 -14.181 -0.933 1.00 0.00 C ATOM 576 O ALA A 40 1.743 -15.345 -1.079 1.00 0.00 O ATOM 577 CB ALA A 40 3.949 -13.890 -2.675 1.00 0.00 C ATOM 0 H ALA A 40 5.139 -15.144 -0.943 1.00 0.00 H new ATOM 0 HA ALA A 40 3.696 -12.726 -0.935 1.00 0.00 H new ATOM 0 HB1 ALA A 40 3.288 -13.257 -3.267 1.00 0.00 H new ATOM 0 HB2 ALA A 40 4.981 -13.570 -2.817 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.843 -14.926 -2.997 1.00 0.00 H new ATOM 583 N ARG A 41 1.332 -13.221 -0.484 1.00 0.00 N ATOM 584 CA ARG A 41 -0.107 -13.369 -0.496 1.00 0.00 C ATOM 585 C ARG A 41 -0.592 -13.182 -1.926 1.00 0.00 C ATOM 586 O ARG A 41 0.032 -12.475 -2.727 1.00 0.00 O ATOM 587 CB ARG A 41 -0.758 -12.338 0.423 1.00 0.00 C ATOM 588 CG ARG A 41 -0.879 -12.826 1.869 1.00 0.00 C ATOM 589 CD ARG A 41 -1.265 -11.654 2.789 1.00 0.00 C ATOM 590 NE ARG A 41 -2.436 -11.918 3.641 1.00 0.00 N ATOM 591 CZ ARG A 41 -3.695 -12.118 3.231 1.00 0.00 C ATOM 592 NH1 ARG A 41 -4.039 -11.987 1.959 1.00 0.00 N ATOM 593 NH2 ARG A 41 -4.646 -12.442 4.093 1.00 0.00 N ATOM 0 H ARG A 41 1.662 -12.332 -0.108 1.00 0.00 H new ATOM 0 HA ARG A 41 -0.382 -14.360 -0.133 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -0.173 -11.419 0.402 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -1.750 -12.093 0.043 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -1.630 -13.613 1.934 1.00 0.00 H new ATOM 0 HG3 ARG A 41 0.066 -13.260 2.196 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -0.414 -11.410 3.425 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -1.466 -10.776 2.175 1.00 0.00 H new ATOM 0 HE ARG A 41 -2.272 -11.952 4.647 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -3.338 -11.728 1.265 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -5.005 -12.145 1.673 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -4.424 -12.542 5.083 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -5.601 -12.591 3.767 1.00 0.00 H new ATOM 607 N ALA A 42 -1.757 -13.751 -2.216 1.00 0.00 N ATOM 608 CA ALA A 42 -2.513 -13.358 -3.392 1.00 0.00 C ATOM 609 C ALA A 42 -3.013 -11.927 -3.189 1.00 0.00 C ATOM 610 O ALA A 42 -3.369 -11.543 -2.073 1.00 0.00 O ATOM 611 CB ALA A 42 -3.691 -14.314 -3.593 1.00 0.00 C ATOM 0 H ALA A 42 -2.194 -14.482 -1.654 1.00 0.00 H new ATOM 0 HA ALA A 42 -1.882 -13.402 -4.280 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -4.255 -14.015 -4.476 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -3.317 -15.329 -3.727 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -4.341 -14.280 -2.719 1.00 0.00 H new ATOM 617 N VAL A 43 -3.095 -11.170 -4.273 1.00 0.00 N ATOM 618 CA VAL A 43 -3.879 -9.950 -4.392 1.00 0.00 C ATOM 619 C VAL A 43 -4.488 -9.949 -5.806 1.00 0.00 C ATOM 620 O VAL A 43 -3.937 -10.606 -6.694 1.00 0.00 O ATOM 621 CB VAL A 43 -3.012 -8.698 -4.135 1.00 0.00 C ATOM 622 CG1 VAL A 43 -2.574 -8.535 -2.674 1.00 0.00 C ATOM 623 CG2 VAL A 43 -1.738 -8.634 -4.983 1.00 0.00 C ATOM 0 H VAL A 43 -2.595 -11.400 -5.132 1.00 0.00 H new ATOM 0 HA VAL A 43 -4.668 -9.920 -3.641 1.00 0.00 H new ATOM 0 HB VAL A 43 -3.689 -7.892 -4.418 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -1.969 -7.634 -2.574 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -3.455 -8.454 -2.037 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -1.986 -9.402 -2.371 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -1.186 -7.725 -4.742 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.116 -9.503 -4.771 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.004 -8.628 -6.040 1.00 0.00 H new ATOM 633 N PRO A 44 -5.600 -9.247 -6.068 1.00 0.00 N ATOM 634 CA PRO A 44 -6.158 -9.175 -7.410 1.00 0.00 C ATOM 635 C PRO A 44 -5.304 -8.231 -8.264 1.00 0.00 C ATOM 636 O PRO A 44 -5.316 -7.024 -8.026 1.00 0.00 O ATOM 637 CB PRO A 44 -7.588 -8.664 -7.216 1.00 0.00 C ATOM 638 CG PRO A 44 -7.540 -7.857 -5.919 1.00 0.00 C ATOM 639 CD PRO A 44 -6.406 -8.494 -5.115 1.00 0.00 C ATOM 0 HA PRO A 44 -6.165 -10.132 -7.933 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -7.905 -8.045 -8.056 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -8.297 -9.489 -7.143 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -7.345 -6.803 -6.114 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -8.487 -7.912 -5.382 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -5.807 -7.732 -4.617 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -6.801 -9.148 -4.338 1.00 0.00 H new ATOM 647 N SER A 45 -4.524 -8.725 -9.233 1.00 0.00 N ATOM 648 CA SER A 45 -3.978 -7.863 -10.270 1.00 0.00 C ATOM 649 C SER A 45 -5.139 -7.231 -11.047 1.00 0.00 C ATOM 650 O SER A 45 -6.253 -7.753 -11.059 1.00 0.00 O ATOM 651 CB SER A 45 -3.102 -8.710 -11.193 1.00 0.00 C ATOM 652 OG SER A 45 -1.725 -8.685 -10.832 1.00 0.00 O ATOM 0 H SER A 45 -4.263 -9.708 -9.315 1.00 0.00 H new ATOM 0 HA SER A 45 -3.371 -7.067 -9.839 1.00 0.00 H new ATOM 0 HB2 SER A 45 -3.457 -9.740 -11.177 1.00 0.00 H new ATOM 0 HB3 SER A 45 -3.210 -8.352 -12.217 1.00 0.00 H new ATOM 0 HG SER A 45 -1.214 -9.244 -11.454 1.00 0.00 H new ATOM 658 N ALA A 46 -4.872 -6.123 -11.731 1.00 0.00 N ATOM 659 CA ALA A 46 -5.907 -5.334 -12.393 1.00 0.00 C ATOM 660 C ALA A 46 -6.657 -6.155 -13.432 1.00 0.00 C ATOM 661 O ALA A 46 -7.885 -6.085 -13.517 1.00 0.00 O ATOM 662 CB ALA A 46 -5.291 -4.074 -13.009 1.00 0.00 C ATOM 0 H ALA A 46 -3.931 -5.746 -11.842 1.00 0.00 H new ATOM 0 HA ALA A 46 -6.639 -5.029 -11.645 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -6.070 -3.491 -13.501 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.829 -3.474 -12.225 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -4.535 -4.359 -13.740 1.00 0.00 H new ATOM 668 N ASP A 47 -5.923 -6.976 -14.184 1.00 0.00 N ATOM 669 CA ASP A 47 -6.498 -7.800 -15.237 1.00 0.00 C ATOM 670 C ASP A 47 -7.450 -8.865 -14.698 1.00 0.00 C ATOM 671 O ASP A 47 -8.327 -9.316 -15.428 1.00 0.00 O ATOM 672 CB ASP A 47 -5.392 -8.425 -16.106 1.00 0.00 C ATOM 673 CG ASP A 47 -5.385 -7.799 -17.501 1.00 0.00 C ATOM 674 OD1 ASP A 47 -6.314 -8.064 -18.306 1.00 0.00 O ATOM 675 OD2 ASP A 47 -4.497 -6.960 -17.776 1.00 0.00 O ATOM 0 H ASP A 47 -4.915 -7.085 -14.077 1.00 0.00 H new ATOM 0 HA ASP A 47 -7.099 -7.141 -15.864 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -4.422 -8.278 -15.631 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -5.549 -9.501 -16.185 1.00 0.00 H new ATOM 680 N GLN A 48 -7.354 -9.204 -13.409 1.00 0.00 N ATOM 681 CA GLN A 48 -8.236 -10.179 -12.769 1.00 0.00 C ATOM 682 C GLN A 48 -9.692 -9.703 -12.702 1.00 0.00 C ATOM 683 O GLN A 48 -10.579 -10.528 -12.457 1.00 0.00 O ATOM 684 CB GLN A 48 -7.755 -10.538 -11.356 1.00 0.00 C ATOM 685 CG GLN A 48 -6.422 -11.296 -11.356 1.00 0.00 C ATOM 686 CD GLN A 48 -6.613 -12.722 -11.865 1.00 0.00 C ATOM 687 OE1 GLN A 48 -7.233 -13.542 -11.194 1.00 0.00 O ATOM 688 NE2 GLN A 48 -6.135 -13.030 -13.060 1.00 0.00 N ATOM 0 H GLN A 48 -6.658 -8.806 -12.778 1.00 0.00 H new ATOM 0 HA GLN A 48 -8.196 -11.068 -13.399 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -7.648 -9.625 -10.771 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -8.513 -11.146 -10.863 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -5.701 -10.774 -11.985 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -6.010 -11.317 -10.347 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -5.623 -12.332 -13.600 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -6.279 -13.965 -13.441 1.00 0.00 H new ATOM 697 N GLY A 49 -9.926 -8.401 -12.898 1.00 0.00 N ATOM 698 CA GLY A 49 -11.236 -7.782 -12.973 1.00 0.00 C ATOM 699 C GLY A 49 -11.231 -6.405 -12.326 1.00 0.00 C ATOM 700 O GLY A 49 -11.792 -5.446 -12.859 1.00 0.00 O ATOM 0 H GLY A 49 -9.168 -7.728 -13.013 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -11.541 -7.696 -14.016 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -11.970 -8.417 -12.477 1.00 0.00 H new ATOM 704 N ALA A 50 -10.628 -6.332 -11.144 1.00 0.00 N ATOM 705 CA ALA A 50 -10.923 -5.328 -10.134 1.00 0.00 C ATOM 706 C ALA A 50 -9.716 -5.179 -9.186 1.00 0.00 C ATOM 707 O ALA A 50 -9.636 -5.936 -8.215 1.00 0.00 O ATOM 708 CB ALA A 50 -12.224 -5.731 -9.417 1.00 0.00 C ATOM 0 H ALA A 50 -9.902 -6.988 -10.857 1.00 0.00 H new ATOM 0 HA ALA A 50 -11.084 -4.345 -10.577 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -12.464 -4.990 -8.654 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -13.037 -5.783 -10.141 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -12.094 -6.706 -8.947 1.00 0.00 H new ATOM 714 N PRO A 51 -8.718 -4.334 -9.504 1.00 0.00 N ATOM 715 CA PRO A 51 -7.577 -4.091 -8.626 1.00 0.00 C ATOM 716 C PRO A 51 -7.983 -3.304 -7.378 1.00 0.00 C ATOM 717 O PRO A 51 -8.987 -2.594 -7.367 1.00 0.00 O ATOM 718 CB PRO A 51 -6.591 -3.256 -9.447 1.00 0.00 C ATOM 719 CG PRO A 51 -7.501 -2.492 -10.405 1.00 0.00 C ATOM 720 CD PRO A 51 -8.687 -3.428 -10.642 1.00 0.00 C ATOM 0 HA PRO A 51 -7.151 -5.035 -8.286 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -6.011 -2.581 -8.817 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -5.878 -3.884 -9.982 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -7.824 -1.545 -9.974 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -6.988 -2.259 -11.338 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -9.618 -2.866 -10.719 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -8.569 -3.978 -11.575 1.00 0.00 H new ATOM 728 N ILE A 52 -7.137 -3.364 -6.356 1.00 0.00 N ATOM 729 CA ILE A 52 -7.165 -2.503 -5.183 1.00 0.00 C ATOM 730 C ILE A 52 -6.504 -1.162 -5.530 1.00 0.00 C ATOM 731 O ILE A 52 -5.280 -1.096 -5.672 1.00 0.00 O ATOM 732 CB ILE A 52 -6.486 -3.239 -4.002 1.00 0.00 C ATOM 733 CG1 ILE A 52 -7.388 -4.431 -3.628 1.00 0.00 C ATOM 734 CG2 ILE A 52 -6.276 -2.311 -2.794 1.00 0.00 C ATOM 735 CD1 ILE A 52 -6.990 -5.197 -2.370 1.00 0.00 C ATOM 0 H ILE A 52 -6.379 -4.046 -6.323 1.00 0.00 H new ATOM 0 HA ILE A 52 -8.186 -2.281 -4.873 1.00 0.00 H new ATOM 0 HB ILE A 52 -5.494 -3.580 -4.299 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -8.407 -4.065 -3.501 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -7.402 -5.128 -4.466 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -5.797 -2.866 -1.988 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -5.642 -1.474 -3.084 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -7.240 -1.934 -2.453 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -7.693 -6.013 -2.203 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -5.986 -5.603 -2.493 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -7.006 -4.523 -1.513 1.00 0.00 H new ATOM 747 N THR A 53 -7.288 -0.089 -5.645 1.00 0.00 N ATOM 748 CA THR A 53 -6.780 1.271 -5.809 1.00 0.00 C ATOM 749 C THR A 53 -6.618 1.956 -4.446 1.00 0.00 C ATOM 750 O THR A 53 -7.105 1.483 -3.406 1.00 0.00 O ATOM 751 CB THR A 53 -7.698 2.077 -6.749 1.00 0.00 C ATOM 752 OG1 THR A 53 -9.026 2.117 -6.269 1.00 0.00 O ATOM 753 CG2 THR A 53 -7.729 1.498 -8.164 1.00 0.00 C ATOM 0 H THR A 53 -8.306 -0.142 -5.626 1.00 0.00 H new ATOM 0 HA THR A 53 -5.793 1.226 -6.270 1.00 0.00 H new ATOM 0 HB THR A 53 -7.278 3.082 -6.777 1.00 0.00 H new ATOM 0 HG1 THR A 53 -9.582 2.637 -6.887 1.00 0.00 H new ATOM 0 HG21 THR A 53 -8.389 2.100 -8.789 1.00 0.00 H new ATOM 0 HG22 THR A 53 -6.723 1.508 -8.583 1.00 0.00 H new ATOM 0 HG23 THR A 53 -8.097 0.473 -8.130 1.00 0.00 H new ATOM 761 N LEU A 54 -5.969 3.118 -4.434 1.00 0.00 N ATOM 762 CA LEU A 54 -6.040 4.088 -3.353 1.00 0.00 C ATOM 763 C LEU A 54 -6.334 5.449 -3.992 1.00 0.00 C ATOM 764 O LEU A 54 -6.321 5.602 -5.215 1.00 0.00 O ATOM 765 CB LEU A 54 -4.744 3.982 -2.524 1.00 0.00 C ATOM 766 CG LEU A 54 -4.469 5.066 -1.466 1.00 0.00 C ATOM 767 CD1 LEU A 54 -5.494 5.054 -0.325 1.00 0.00 C ATOM 768 CD2 LEU A 54 -3.079 4.815 -0.874 1.00 0.00 C ATOM 0 H LEU A 54 -5.363 3.415 -5.199 1.00 0.00 H new ATOM 0 HA LEU A 54 -6.842 3.912 -2.636 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.750 3.016 -2.018 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -3.904 3.973 -3.218 1.00 0.00 H new ATOM 0 HG LEU A 54 -4.536 6.037 -1.957 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -5.251 5.839 0.391 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -6.491 5.228 -0.730 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.470 4.086 0.176 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -2.862 5.572 -0.121 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -3.052 3.827 -0.414 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -2.332 4.866 -1.666 1.00 0.00 H new ATOM 780 N THR A 55 -6.696 6.437 -3.184 1.00 0.00 N ATOM 781 CA THR A 55 -6.815 7.826 -3.587 1.00 0.00 C ATOM 782 C THR A 55 -6.386 8.639 -2.368 1.00 0.00 C ATOM 783 O THR A 55 -6.794 8.275 -1.261 1.00 0.00 O ATOM 784 CB THR A 55 -8.229 8.143 -4.082 1.00 0.00 C ATOM 785 OG1 THR A 55 -8.645 7.133 -4.987 1.00 0.00 O ATOM 786 CG2 THR A 55 -8.209 9.471 -4.835 1.00 0.00 C ATOM 0 H THR A 55 -6.921 6.286 -2.201 1.00 0.00 H new ATOM 0 HA THR A 55 -6.181 8.072 -4.439 1.00 0.00 H new ATOM 0 HB THR A 55 -8.907 8.195 -3.230 1.00 0.00 H new ATOM 0 HG1 THR A 55 -9.462 6.709 -4.651 1.00 0.00 H new ATOM 0 HG21 THR A 55 -9.213 9.703 -5.190 1.00 0.00 H new ATOM 0 HG22 THR A 55 -7.868 10.263 -4.168 1.00 0.00 H new ATOM 0 HG23 THR A 55 -7.531 9.397 -5.685 1.00 0.00 H new ATOM 794 N LEU A 56 -5.533 9.654 -2.545 1.00 0.00 N ATOM 795 CA LEU A 56 -5.064 10.546 -1.491 1.00 0.00 C ATOM 796 C LEU A 56 -5.186 11.976 -2.014 1.00 0.00 C ATOM 797 O LEU A 56 -4.225 12.552 -2.521 1.00 0.00 O ATOM 798 CB LEU A 56 -3.615 10.213 -1.090 1.00 0.00 C ATOM 799 CG LEU A 56 -3.407 8.798 -0.523 1.00 0.00 C ATOM 800 CD1 LEU A 56 -1.911 8.537 -0.361 1.00 0.00 C ATOM 801 CD2 LEU A 56 -4.093 8.580 0.831 1.00 0.00 C ATOM 0 H LEU A 56 -5.140 9.881 -3.458 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.667 10.425 -0.591 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -2.975 10.336 -1.963 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -3.284 10.938 -0.347 1.00 0.00 H new ATOM 0 HG LEU A 56 -3.860 8.105 -1.232 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.758 7.535 0.041 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.420 8.618 -1.331 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -1.486 9.271 0.323 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -3.906 7.562 1.174 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -3.694 9.287 1.559 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -5.167 8.736 0.724 1.00 0.00 H new ATOM 813 N SER A 57 -6.392 12.529 -1.920 1.00 0.00 N ATOM 814 CA SER A 57 -6.707 13.910 -2.267 1.00 0.00 C ATOM 815 C SER A 57 -7.879 14.364 -1.373 1.00 0.00 C ATOM 816 O SER A 57 -8.040 13.851 -0.260 1.00 0.00 O ATOM 817 CB SER A 57 -6.973 14.005 -3.781 1.00 0.00 C ATOM 818 OG SER A 57 -7.086 15.352 -4.231 1.00 0.00 O ATOM 0 H SER A 57 -7.205 12.009 -1.589 1.00 0.00 H new ATOM 0 HA SER A 57 -5.879 14.593 -2.076 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.165 13.512 -4.320 1.00 0.00 H new ATOM 0 HB3 SER A 57 -7.890 13.467 -4.020 1.00 0.00 H new ATOM 0 HG SER A 57 -7.253 15.361 -5.197 1.00 0.00 H new ATOM 824 N THR A 58 -8.665 15.351 -1.816 1.00 0.00 N ATOM 825 CA THR A 58 -9.710 16.010 -1.039 1.00 0.00 C ATOM 826 C THR A 58 -11.054 16.043 -1.791 1.00 0.00 C ATOM 827 O THR A 58 -11.755 17.051 -1.774 1.00 0.00 O ATOM 828 CB THR A 58 -9.213 17.399 -0.577 1.00 0.00 C ATOM 829 OG1 THR A 58 -8.786 18.210 -1.663 1.00 0.00 O ATOM 830 CG2 THR A 58 -8.077 17.288 0.446 1.00 0.00 C ATOM 0 H THR A 58 -8.584 15.724 -2.762 1.00 0.00 H new ATOM 0 HA THR A 58 -9.915 15.427 -0.141 1.00 0.00 H new ATOM 0 HB THR A 58 -10.072 17.876 -0.105 1.00 0.00 H new ATOM 0 HG1 THR A 58 -8.482 19.078 -1.324 1.00 0.00 H new ATOM 0 HG21 THR A 58 -7.757 18.286 0.744 1.00 0.00 H new ATOM 0 HG22 THR A 58 -8.428 16.743 1.322 1.00 0.00 H new ATOM 0 HG23 THR A 58 -7.237 16.756 0.000 1.00 0.00 H new ATOM 838 N SER A 59 -11.462 14.944 -2.435 1.00 0.00 N ATOM 839 CA SER A 59 -12.722 14.872 -3.181 1.00 0.00 C ATOM 840 C SER A 59 -13.942 15.206 -2.307 1.00 0.00 C ATOM 841 O SER A 59 -14.853 15.916 -2.745 1.00 0.00 O ATOM 842 CB SER A 59 -12.830 13.482 -3.817 1.00 0.00 C ATOM 843 OG SER A 59 -13.998 13.302 -4.597 1.00 0.00 O ATOM 0 H SER A 59 -10.925 14.077 -2.453 1.00 0.00 H new ATOM 0 HA SER A 59 -12.717 15.630 -3.964 1.00 0.00 H new ATOM 0 HB2 SER A 59 -11.955 13.310 -4.444 1.00 0.00 H new ATOM 0 HB3 SER A 59 -12.810 12.729 -3.029 1.00 0.00 H new ATOM 0 HG SER A 59 -14.004 12.397 -4.974 1.00 0.00 H new ATOM 849 N THR A 60 -14.002 14.719 -1.065 1.00 0.00 N ATOM 850 CA THR A 60 -15.039 15.101 -0.101 1.00 0.00 C ATOM 851 C THR A 60 -14.743 16.489 0.474 1.00 0.00 C ATOM 852 O THR A 60 -15.655 17.276 0.756 1.00 0.00 O ATOM 853 CB THR A 60 -15.079 14.041 1.004 1.00 0.00 C ATOM 854 OG1 THR A 60 -13.756 13.808 1.454 1.00 0.00 O ATOM 855 CG2 THR A 60 -15.703 12.744 0.475 1.00 0.00 C ATOM 0 H THR A 60 -13.330 14.046 -0.697 1.00 0.00 H new ATOM 0 HA THR A 60 -16.012 15.152 -0.590 1.00 0.00 H new ATOM 0 HB THR A 60 -15.692 14.394 1.834 1.00 0.00 H new ATOM 0 HG1 THR A 60 -13.778 13.257 2.264 1.00 0.00 H new ATOM 0 HG21 THR A 60 -15.725 12.000 1.271 1.00 0.00 H new ATOM 0 HG22 THR A 60 -16.720 12.942 0.135 1.00 0.00 H new ATOM 0 HG23 THR A 60 -15.109 12.367 -0.358 1.00 0.00 H new ATOM 863 N GLY A 61 -13.455 16.807 0.580 1.00 0.00 N ATOM 864 CA GLY A 61 -12.880 18.077 0.970 1.00 0.00 C ATOM 865 C GLY A 61 -11.936 17.915 2.156 1.00 0.00 C ATOM 866 O GLY A 61 -11.022 18.734 2.288 1.00 0.00 O ATOM 0 H GLY A 61 -12.731 16.118 0.376 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -12.339 18.508 0.128 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -13.676 18.775 1.228 1.00 0.00 H new ATOM 870 N GLN A 62 -12.100 16.861 2.971 1.00 0.00 N ATOM 871 CA GLN A 62 -11.114 16.545 3.999 1.00 0.00 C ATOM 872 C GLN A 62 -9.969 15.758 3.367 1.00 0.00 C ATOM 873 O GLN A 62 -10.149 15.152 2.307 1.00 0.00 O ATOM 874 CB GLN A 62 -11.645 15.706 5.167 1.00 0.00 C ATOM 875 CG GLN A 62 -13.055 16.030 5.654 1.00 0.00 C ATOM 876 CD GLN A 62 -14.070 15.175 4.909 1.00 0.00 C ATOM 877 OE1 GLN A 62 -13.983 13.952 4.903 1.00 0.00 O ATOM 878 NE2 GLN A 62 -15.036 15.775 4.244 1.00 0.00 N ATOM 0 H GLN A 62 -12.897 16.225 2.934 1.00 0.00 H new ATOM 0 HA GLN A 62 -10.804 17.508 4.405 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -11.619 14.657 4.873 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -10.960 15.819 6.007 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -13.130 15.847 6.726 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -13.270 17.087 5.495 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -15.105 16.793 4.252 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -15.715 15.222 3.721 1.00 0.00 H new ATOM 887 N ARG A 63 -8.846 15.644 4.078 1.00 0.00 N ATOM 888 CA ARG A 63 -7.786 14.699 3.738 1.00 0.00 C ATOM 889 C ARG A 63 -8.241 13.290 4.118 1.00 0.00 C ATOM 890 O ARG A 63 -7.868 12.774 5.177 1.00 0.00 O ATOM 891 CB ARG A 63 -6.439 15.103 4.378 1.00 0.00 C ATOM 892 CG ARG A 63 -6.464 15.350 5.901 1.00 0.00 C ATOM 893 CD ARG A 63 -5.063 15.410 6.509 1.00 0.00 C ATOM 894 NE ARG A 63 -4.396 16.682 6.204 1.00 0.00 N ATOM 895 CZ ARG A 63 -4.705 17.871 6.728 1.00 0.00 C ATOM 896 NH1 ARG A 63 -5.624 17.985 7.683 1.00 0.00 N ATOM 897 NH2 ARG A 63 -4.075 18.944 6.287 1.00 0.00 N ATOM 0 H ARG A 63 -8.648 16.206 4.906 1.00 0.00 H new ATOM 0 HA ARG A 63 -7.604 14.715 2.663 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -5.710 14.320 4.168 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -6.083 16.009 3.888 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -6.985 16.285 6.105 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -7.033 14.556 6.385 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -5.129 15.283 7.590 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -4.464 14.583 6.127 1.00 0.00 H new ATOM 0 HE ARG A 63 -3.629 16.655 5.532 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -6.107 17.155 8.028 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -5.846 18.902 8.070 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -3.366 18.856 5.559 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -4.297 19.861 6.675 1.00 0.00 H new ATOM 911 N HIS A 64 -9.061 12.633 3.302 1.00 0.00 N ATOM 912 CA HIS A 64 -9.381 11.237 3.507 1.00 0.00 C ATOM 913 C HIS A 64 -8.906 10.393 2.343 1.00 0.00 C ATOM 914 O HIS A 64 -8.715 10.891 1.237 1.00 0.00 O ATOM 915 CB HIS A 64 -10.852 11.038 3.852 1.00 0.00 C ATOM 916 CG HIS A 64 -11.844 10.970 2.733 1.00 0.00 C ATOM 917 ND1 HIS A 64 -13.008 10.239 2.742 1.00 0.00 N ATOM 918 CD2 HIS A 64 -11.729 11.562 1.515 1.00 0.00 C ATOM 919 CE1 HIS A 64 -13.580 10.368 1.539 1.00 0.00 C ATOM 920 NE2 HIS A 64 -12.849 11.188 0.761 1.00 0.00 N ATOM 0 H HIS A 64 -9.514 13.054 2.491 1.00 0.00 H new ATOM 0 HA HIS A 64 -8.832 10.884 4.380 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -10.936 10.115 4.426 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -11.151 11.853 4.512 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -10.923 12.203 1.189 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -14.497 9.884 1.236 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -13.068 11.480 -0.191 1.00 0.00 H new ATOM 928 N ALA A 65 -8.688 9.112 2.619 1.00 0.00 N ATOM 929 CA ALA A 65 -8.443 8.137 1.585 1.00 0.00 C ATOM 930 C ALA A 65 -9.799 7.667 1.077 1.00 0.00 C ATOM 931 O ALA A 65 -10.725 7.512 1.880 1.00 0.00 O ATOM 932 CB ALA A 65 -7.675 6.963 2.188 1.00 0.00 C ATOM 0 H ALA A 65 -8.678 8.730 3.565 1.00 0.00 H new ATOM 0 HA ALA A 65 -7.858 8.559 0.768 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -7.483 6.218 1.415 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -6.727 7.318 2.593 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -8.265 6.514 2.987 1.00 0.00 H new ATOM 938 N SER A 66 -9.896 7.395 -0.219 1.00 0.00 N ATOM 939 CA SER A 66 -11.155 7.066 -0.875 1.00 0.00 C ATOM 940 C SER A 66 -10.904 6.143 -2.069 1.00 0.00 C ATOM 941 O SER A 66 -11.100 6.496 -3.229 1.00 0.00 O ATOM 942 CB SER A 66 -11.864 8.355 -1.281 1.00 0.00 C ATOM 943 OG SER A 66 -10.946 9.320 -1.771 1.00 0.00 O ATOM 0 H SER A 66 -9.095 7.397 -0.850 1.00 0.00 H new ATOM 0 HA SER A 66 -11.806 6.527 -0.186 1.00 0.00 H new ATOM 0 HB2 SER A 66 -12.608 8.137 -2.047 1.00 0.00 H new ATOM 0 HB3 SER A 66 -12.400 8.763 -0.424 1.00 0.00 H new ATOM 0 HG SER A 66 -11.430 10.133 -2.024 1.00 0.00 H new ATOM 949 N GLY A 67 -10.443 4.937 -1.773 1.00 0.00 N ATOM 950 CA GLY A 67 -9.985 3.968 -2.761 1.00 0.00 C ATOM 951 C GLY A 67 -11.018 2.873 -2.985 1.00 0.00 C ATOM 952 O GLY A 67 -12.116 2.900 -2.412 1.00 0.00 O ATOM 0 H GLY A 67 -10.375 4.595 -0.814 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -9.781 4.476 -3.704 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -9.047 3.523 -2.429 1.00 0.00 H new ATOM 956 N PHE A 68 -10.663 1.890 -3.809 1.00 0.00 N ATOM 957 CA PHE A 68 -11.402 0.651 -3.960 1.00 0.00 C ATOM 958 C PHE A 68 -10.575 -0.465 -3.337 1.00 0.00 C ATOM 959 O PHE A 68 -9.427 -0.652 -3.727 1.00 0.00 O ATOM 960 CB PHE A 68 -11.759 0.397 -5.423 1.00 0.00 C ATOM 961 CG PHE A 68 -12.542 -0.875 -5.660 1.00 0.00 C ATOM 962 CD1 PHE A 68 -13.741 -1.098 -4.968 1.00 0.00 C ATOM 963 CD2 PHE A 68 -12.090 -1.829 -6.583 1.00 0.00 C ATOM 964 CE1 PHE A 68 -14.525 -2.230 -5.234 1.00 0.00 C ATOM 965 CE2 PHE A 68 -12.830 -3.001 -6.793 1.00 0.00 C ATOM 966 CZ PHE A 68 -14.065 -3.188 -6.148 1.00 0.00 C ATOM 0 H PHE A 68 -9.834 1.939 -4.401 1.00 0.00 H new ATOM 0 HA PHE A 68 -12.359 0.704 -3.441 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -12.339 1.242 -5.795 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -10.840 0.359 -6.008 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -14.065 -0.389 -4.221 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -11.174 -1.661 -7.131 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -15.475 -2.363 -4.739 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -12.449 -3.765 -7.454 1.00 0.00 H new ATOM 0 HZ PHE A 68 -14.657 -4.067 -6.356 1.00 0.00 H new ATOM 976 N SER A 69 -11.109 -1.140 -2.318 1.00 0.00 N ATOM 977 CA SER A 69 -10.491 -2.348 -1.771 1.00 0.00 C ATOM 978 C SER A 69 -11.179 -3.534 -2.440 1.00 0.00 C ATOM 979 O SER A 69 -12.174 -3.352 -3.145 1.00 0.00 O ATOM 980 CB SER A 69 -10.505 -2.293 -0.230 1.00 0.00 C ATOM 981 OG SER A 69 -10.693 -3.520 0.446 1.00 0.00 O ATOM 0 H SER A 69 -11.975 -0.868 -1.852 1.00 0.00 H new ATOM 0 HA SER A 69 -9.429 -2.449 -1.996 1.00 0.00 H new ATOM 0 HB2 SER A 69 -9.561 -1.861 0.104 1.00 0.00 H new ATOM 0 HB3 SER A 69 -11.296 -1.609 0.079 1.00 0.00 H new ATOM 0 HG SER A 69 -10.683 -3.365 1.414 1.00 0.00 H new ATOM 987 N GLY A 70 -10.621 -4.733 -2.265 1.00 0.00 N ATOM 988 CA GLY A 70 -10.597 -5.779 -3.275 1.00 0.00 C ATOM 989 C GLY A 70 -11.908 -6.021 -4.017 1.00 0.00 C ATOM 990 O GLY A 70 -11.876 -6.152 -5.241 1.00 0.00 O ATOM 0 H GLY A 70 -10.164 -5.005 -1.395 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -9.828 -5.532 -4.007 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -10.295 -6.711 -2.797 1.00 0.00 H new ATOM 994 N CYS A 71 -13.049 -6.035 -3.315 1.00 0.00 N ATOM 995 CA CYS A 71 -14.364 -5.978 -3.945 1.00 0.00 C ATOM 996 C CYS A 71 -15.265 -4.896 -3.336 1.00 0.00 C ATOM 997 O CYS A 71 -16.362 -4.647 -3.848 1.00 0.00 O ATOM 998 CB CYS A 71 -15.003 -7.357 -3.866 1.00 0.00 C ATOM 999 SG CYS A 71 -16.543 -7.596 -4.712 1.00 0.00 S ATOM 0 H CYS A 71 -13.081 -6.086 -2.297 1.00 0.00 H new ATOM 0 HA CYS A 71 -14.238 -5.693 -4.990 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -14.289 -8.082 -4.257 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -15.157 -7.597 -2.814 1.00 0.00 H new ATOM 1004 N ASN A 72 -14.843 -4.225 -2.264 1.00 0.00 N ATOM 1005 CA ASN A 72 -15.661 -3.285 -1.525 1.00 0.00 C ATOM 1006 C ASN A 72 -14.810 -2.043 -1.351 1.00 0.00 C ATOM 1007 O ASN A 72 -13.695 -2.113 -0.835 1.00 0.00 O ATOM 1008 CB ASN A 72 -16.117 -3.853 -0.168 1.00 0.00 C ATOM 1009 CG ASN A 72 -16.495 -5.333 -0.178 1.00 0.00 C ATOM 1010 OD1 ASN A 72 -17.583 -5.704 -0.827 1.00 0.00 O flip ATOM 1011 ND2 ASN A 72 -15.803 -6.184 0.361 1.00 0.00 N flip ATOM 0 H ASN A 72 -13.902 -4.328 -1.884 1.00 0.00 H new ATOM 0 HA ASN A 72 -16.582 -3.065 -2.064 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -15.318 -3.703 0.558 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -16.975 -3.277 0.179 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -14.960 -5.911 0.866 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -16.069 -7.167 0.306 1.00 0.00 H new ATOM 1018 N ARG A 73 -15.315 -0.901 -1.814 1.00 0.00 N ATOM 1019 CA ARG A 73 -14.639 0.390 -1.667 1.00 0.00 C ATOM 1020 C ARG A 73 -14.353 0.716 -0.212 1.00 0.00 C ATOM 1021 O ARG A 73 -14.909 0.086 0.686 1.00 0.00 O ATOM 1022 CB ARG A 73 -15.417 1.559 -2.290 1.00 0.00 C ATOM 1023 CG ARG A 73 -16.329 1.230 -3.471 1.00 0.00 C ATOM 1024 CD ARG A 73 -16.858 2.517 -4.117 1.00 0.00 C ATOM 1025 NE ARG A 73 -18.158 2.298 -4.758 1.00 0.00 N ATOM 1026 CZ ARG A 73 -18.424 1.459 -5.763 1.00 0.00 C ATOM 1027 NH1 ARG A 73 -17.448 0.842 -6.426 1.00 0.00 N ATOM 1028 NH2 ARG A 73 -19.683 1.208 -6.076 1.00 0.00 N ATOM 0 H ARG A 73 -16.208 -0.843 -2.304 1.00 0.00 H new ATOM 0 HA ARG A 73 -13.701 0.277 -2.211 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -16.024 2.017 -1.509 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -14.698 2.310 -2.616 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -15.781 0.644 -4.209 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -17.164 0.616 -3.133 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -16.951 3.295 -3.359 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -16.142 2.876 -4.856 1.00 0.00 H new ATOM 0 HE ARG A 73 -18.942 2.843 -4.399 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -16.474 1.006 -6.170 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -17.674 0.205 -7.190 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -20.437 1.653 -5.553 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -19.901 0.569 -6.841 1.00 0.00 H new ATOM 1042 N TYR A 74 -13.564 1.753 0.014 1.00 0.00 N ATOM 1043 CA TYR A 74 -13.301 2.218 1.362 1.00 0.00 C ATOM 1044 C TYR A 74 -13.230 3.734 1.406 1.00 0.00 C ATOM 1045 O TYR A 74 -13.019 4.394 0.382 1.00 0.00 O ATOM 1046 CB TYR A 74 -12.069 1.508 1.942 1.00 0.00 C ATOM 1047 CG TYR A 74 -10.745 1.755 1.236 1.00 0.00 C ATOM 1048 CD1 TYR A 74 -10.491 1.130 0.005 1.00 0.00 C ATOM 1049 CD2 TYR A 74 -9.747 2.556 1.823 1.00 0.00 C ATOM 1050 CE1 TYR A 74 -9.259 1.295 -0.645 1.00 0.00 C ATOM 1051 CE2 TYR A 74 -8.514 2.745 1.171 1.00 0.00 C ATOM 1052 CZ TYR A 74 -8.271 2.115 -0.069 1.00 0.00 C ATOM 1053 OH TYR A 74 -7.102 2.307 -0.726 1.00 0.00 O ATOM 0 H TYR A 74 -13.096 2.287 -0.718 1.00 0.00 H new ATOM 0 HA TYR A 74 -14.133 1.950 2.013 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -11.961 1.810 2.984 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -12.261 0.435 1.939 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -11.254 0.514 -0.448 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -9.928 3.027 2.778 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -9.070 0.795 -1.583 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -7.756 3.370 1.618 1.00 0.00 H new ATOM 0 HH TYR A 74 -7.189 1.988 -1.649 1.00 0.00 H new ATOM 1063 N MET A 75 -13.486 4.283 2.590 1.00 0.00 N ATOM 1064 CA MET A 75 -13.382 5.701 2.885 1.00 0.00 C ATOM 1065 C MET A 75 -13.114 5.885 4.374 1.00 0.00 C ATOM 1066 O MET A 75 -13.422 4.996 5.171 1.00 0.00 O ATOM 1067 CB MET A 75 -14.648 6.450 2.438 1.00 0.00 C ATOM 1068 CG MET A 75 -15.952 5.987 3.108 1.00 0.00 C ATOM 1069 SD MET A 75 -17.248 5.383 1.988 1.00 0.00 S ATOM 1070 CE MET A 75 -16.654 3.700 1.687 1.00 0.00 C ATOM 0 H MET A 75 -13.781 3.731 3.395 1.00 0.00 H new ATOM 0 HA MET A 75 -12.549 6.128 2.326 1.00 0.00 H new ATOM 0 HB2 MET A 75 -14.512 7.513 2.639 1.00 0.00 H new ATOM 0 HB3 MET A 75 -14.754 6.341 1.359 1.00 0.00 H new ATOM 0 HG2 MET A 75 -15.712 5.194 3.816 1.00 0.00 H new ATOM 0 HG3 MET A 75 -16.356 6.818 3.685 1.00 0.00 H new ATOM 0 HE1 MET A 75 -17.505 3.026 1.587 1.00 0.00 H new ATOM 0 HE2 MET A 75 -16.066 3.680 0.769 1.00 0.00 H new ATOM 0 HE3 MET A 75 -16.033 3.378 2.523 1.00 0.00 H new ATOM 1080 N GLY A 76 -12.510 7.003 4.766 1.00 0.00 N ATOM 1081 CA GLY A 76 -12.378 7.323 6.179 1.00 0.00 C ATOM 1082 C GLY A 76 -11.652 8.638 6.368 1.00 0.00 C ATOM 1083 O GLY A 76 -12.261 9.692 6.209 1.00 0.00 O ATOM 0 H GLY A 76 -12.109 7.694 4.132 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -13.365 7.379 6.637 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -11.835 6.526 6.687 1.00 0.00 H new ATOM 1087 N SER A 77 -10.349 8.584 6.648 1.00 0.00 N ATOM 1088 CA SER A 77 -9.476 9.726 6.903 1.00 0.00 C ATOM 1089 C SER A 77 -8.021 9.256 6.748 1.00 0.00 C ATOM 1090 O SER A 77 -7.756 8.070 6.968 1.00 0.00 O ATOM 1091 CB SER A 77 -9.703 10.147 8.364 1.00 0.00 C ATOM 1092 OG SER A 77 -10.881 10.908 8.529 1.00 0.00 O ATOM 0 H SER A 77 -9.851 7.696 6.705 1.00 0.00 H new ATOM 0 HA SER A 77 -9.680 10.550 6.220 1.00 0.00 H new ATOM 0 HB2 SER A 77 -9.758 9.257 8.991 1.00 0.00 H new ATOM 0 HB3 SER A 77 -8.847 10.728 8.709 1.00 0.00 H new ATOM 0 HG SER A 77 -11.467 10.775 7.755 1.00 0.00 H new ATOM 1098 N TYR A 78 -7.072 10.145 6.417 1.00 0.00 N ATOM 1099 CA TYR A 78 -5.638 9.834 6.470 1.00 0.00 C ATOM 1100 C TYR A 78 -4.831 11.004 7.032 1.00 0.00 C ATOM 1101 O TYR A 78 -5.362 12.100 7.223 1.00 0.00 O ATOM 1102 CB TYR A 78 -5.103 9.336 5.116 1.00 0.00 C ATOM 1103 CG TYR A 78 -4.707 10.405 4.115 1.00 0.00 C ATOM 1104 CD1 TYR A 78 -5.700 11.088 3.397 1.00 0.00 C ATOM 1105 CD2 TYR A 78 -3.351 10.676 3.852 1.00 0.00 C ATOM 1106 CE1 TYR A 78 -5.371 12.033 2.411 1.00 0.00 C ATOM 1107 CE2 TYR A 78 -3.009 11.611 2.860 1.00 0.00 C ATOM 1108 CZ TYR A 78 -4.012 12.300 2.144 1.00 0.00 C ATOM 1109 OH TYR A 78 -3.644 13.196 1.195 1.00 0.00 O ATOM 0 H TYR A 78 -7.277 11.095 6.107 1.00 0.00 H new ATOM 0 HA TYR A 78 -5.510 9.005 7.166 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -4.235 8.704 5.303 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -5.865 8.704 4.659 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -6.739 10.883 3.607 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -2.578 10.168 4.409 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -6.148 12.548 1.865 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -1.969 11.804 2.643 1.00 0.00 H new ATOM 0 HH TYR A 78 -3.289 14.001 1.626 1.00 0.00 H new ATOM 1119 N ALA A 79 -3.564 10.767 7.370 1.00 0.00 N ATOM 1120 CA ALA A 79 -2.633 11.777 7.850 1.00 0.00 C ATOM 1121 C ALA A 79 -1.229 11.386 7.401 1.00 0.00 C ATOM 1122 O ALA A 79 -0.878 10.203 7.416 1.00 0.00 O ATOM 1123 CB ALA A 79 -2.682 11.865 9.383 1.00 0.00 C ATOM 0 H ALA A 79 -3.148 9.837 7.314 1.00 0.00 H new ATOM 0 HA ALA A 79 -2.904 12.751 7.443 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -1.980 12.625 9.726 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -3.690 12.132 9.700 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -2.411 10.900 9.812 1.00 0.00 H new ATOM 1129 N LEU A 80 -0.417 12.377 7.043 1.00 0.00 N ATOM 1130 CA LEU A 80 1.014 12.224 6.857 1.00 0.00 C ATOM 1131 C LEU A 80 1.676 12.665 8.148 1.00 0.00 C ATOM 1132 O LEU A 80 1.558 13.829 8.528 1.00 0.00 O ATOM 1133 CB LEU A 80 1.493 13.092 5.685 1.00 0.00 C ATOM 1134 CG LEU A 80 1.122 12.588 4.273 1.00 0.00 C ATOM 1135 CD1 LEU A 80 0.814 11.084 4.170 1.00 0.00 C ATOM 1136 CD2 LEU A 80 -0.029 13.388 3.674 1.00 0.00 C ATOM 0 H LEU A 80 -0.747 13.327 6.872 1.00 0.00 H new ATOM 0 HA LEU A 80 1.269 11.190 6.625 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.084 14.095 5.810 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.578 13.181 5.744 1.00 0.00 H new ATOM 0 HG LEU A 80 2.032 12.749 3.695 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.565 10.833 3.139 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.687 10.512 4.482 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.029 10.840 4.816 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.261 13.004 2.681 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.907 13.296 4.313 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.257 14.437 3.600 1.00 0.00 H new ATOM 1148 N LYS A 81 2.355 11.751 8.831 1.00 0.00 N ATOM 1149 CA LYS A 81 3.079 12.006 10.070 1.00 0.00 C ATOM 1150 C LYS A 81 4.237 11.027 10.142 1.00 0.00 C ATOM 1151 O LYS A 81 4.196 10.014 9.453 1.00 0.00 O ATOM 1152 CB LYS A 81 2.132 11.859 11.275 1.00 0.00 C ATOM 1153 CG LYS A 81 1.430 10.494 11.401 1.00 0.00 C ATOM 1154 CD LYS A 81 0.335 10.492 12.479 1.00 0.00 C ATOM 1155 CE LYS A 81 0.896 10.746 13.884 1.00 0.00 C ATOM 1156 NZ LYS A 81 -0.174 10.889 14.894 1.00 0.00 N ATOM 0 H LYS A 81 2.419 10.779 8.527 1.00 0.00 H new ATOM 0 HA LYS A 81 3.467 13.024 10.092 1.00 0.00 H new ATOM 0 HB2 LYS A 81 2.701 12.042 12.187 1.00 0.00 H new ATOM 0 HB3 LYS A 81 1.370 12.636 11.214 1.00 0.00 H new ATOM 0 HG2 LYS A 81 0.990 10.225 10.441 1.00 0.00 H new ATOM 0 HG3 LYS A 81 2.170 9.729 11.638 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -0.405 11.257 12.243 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -0.182 9.533 12.465 1.00 0.00 H new ATOM 0 HE2 LYS A 81 1.552 9.922 14.166 1.00 0.00 H new ATOM 0 HE3 LYS A 81 1.506 11.649 13.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 0.251 11.059 15.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -0.786 11.691 14.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -0.741 10.018 14.925 1.00 0.00 H new ATOM 1170 N ASP A 82 5.240 11.286 10.975 1.00 0.00 N ATOM 1171 CA ASP A 82 6.272 10.333 11.378 1.00 0.00 C ATOM 1172 C ASP A 82 7.036 9.718 10.197 1.00 0.00 C ATOM 1173 O ASP A 82 7.575 8.609 10.274 1.00 0.00 O ATOM 1174 CB ASP A 82 5.683 9.305 12.360 1.00 0.00 C ATOM 1175 CG ASP A 82 4.906 9.924 13.526 1.00 0.00 C ATOM 1176 OD1 ASP A 82 5.320 10.993 14.043 1.00 0.00 O ATOM 1177 OD2 ASP A 82 3.844 9.381 13.905 1.00 0.00 O ATOM 0 H ASP A 82 5.362 12.202 11.406 1.00 0.00 H new ATOM 0 HA ASP A 82 7.049 10.880 11.912 1.00 0.00 H new ATOM 0 HB2 ASP A 82 5.021 8.634 11.812 1.00 0.00 H new ATOM 0 HB3 ASP A 82 6.494 8.696 12.761 1.00 0.00 H new ATOM 1182 N GLY A 83 7.101 10.439 9.073 1.00 0.00 N ATOM 1183 CA GLY A 83 7.711 9.962 7.845 1.00 0.00 C ATOM 1184 C GLY A 83 6.984 8.753 7.252 1.00 0.00 C ATOM 1185 O GLY A 83 7.616 7.988 6.521 1.00 0.00 O ATOM 0 H GLY A 83 6.723 11.384 8.998 1.00 0.00 H new ATOM 0 HA2 GLY A 83 7.721 10.769 7.113 1.00 0.00 H new ATOM 0 HA3 GLY A 83 8.750 9.696 8.040 1.00 0.00 H new ATOM 1189 N LYS A 84 5.711 8.517 7.597 1.00 0.00 N ATOM 1190 CA LYS A 84 4.918 7.386 7.118 1.00 0.00 C ATOM 1191 C LYS A 84 3.508 7.802 6.713 1.00 0.00 C ATOM 1192 O LYS A 84 3.045 8.900 7.035 1.00 0.00 O ATOM 1193 CB LYS A 84 4.913 6.248 8.160 1.00 0.00 C ATOM 1194 CG LYS A 84 4.144 6.608 9.437 1.00 0.00 C ATOM 1195 CD LYS A 84 4.323 5.565 10.542 1.00 0.00 C ATOM 1196 CE LYS A 84 3.280 5.775 11.648 1.00 0.00 C ATOM 1197 NZ LYS A 84 1.948 5.256 11.266 1.00 0.00 N ATOM 0 H LYS A 84 5.195 9.125 8.233 1.00 0.00 H new ATOM 0 HA LYS A 84 5.391 7.007 6.212 1.00 0.00 H new ATOM 0 HB2 LYS A 84 4.470 5.357 7.715 1.00 0.00 H new ATOM 0 HB3 LYS A 84 5.941 5.997 8.420 1.00 0.00 H new ATOM 0 HG2 LYS A 84 4.482 7.579 9.800 1.00 0.00 H new ATOM 0 HG3 LYS A 84 3.084 6.707 9.203 1.00 0.00 H new ATOM 0 HD2 LYS A 84 4.224 4.563 10.125 1.00 0.00 H new ATOM 0 HD3 LYS A 84 5.327 5.638 10.961 1.00 0.00 H new ATOM 0 HE2 LYS A 84 3.614 5.278 12.559 1.00 0.00 H new ATOM 0 HE3 LYS A 84 3.202 6.838 11.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 1.388 5.072 12.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 1.458 5.959 10.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 2.061 4.372 10.729 1.00 0.00 H new ATOM 1211 N LEU A 85 2.803 6.908 6.014 1.00 0.00 N ATOM 1212 CA LEU A 85 1.353 7.050 5.867 1.00 0.00 C ATOM 1213 C LEU A 85 0.712 6.665 7.205 1.00 0.00 C ATOM 1214 O LEU A 85 1.196 5.754 7.874 1.00 0.00 O ATOM 1215 CB LEU A 85 0.831 6.146 4.731 1.00 0.00 C ATOM 1216 CG LEU A 85 -0.191 6.838 3.807 1.00 0.00 C ATOM 1217 CD1 LEU A 85 -0.565 5.882 2.670 1.00 0.00 C ATOM 1218 CD2 LEU A 85 -1.459 7.307 4.531 1.00 0.00 C ATOM 0 H LEU A 85 3.204 6.093 5.549 1.00 0.00 H new ATOM 0 HA LEU A 85 1.096 8.077 5.606 1.00 0.00 H new ATOM 0 HB2 LEU A 85 1.676 5.805 4.133 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.371 5.259 5.167 1.00 0.00 H new ATOM 0 HG LEU A 85 0.288 7.738 3.421 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -1.288 6.364 2.012 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.329 5.626 2.101 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -1.003 4.975 3.087 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -2.130 7.784 3.817 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -1.959 6.450 4.982 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -1.190 8.021 5.309 1.00 0.00 H new ATOM 1230 N SER A 86 -0.381 7.308 7.606 1.00 0.00 N ATOM 1231 CA SER A 86 -1.218 6.861 8.714 1.00 0.00 C ATOM 1232 C SER A 86 -2.683 7.112 8.356 1.00 0.00 C ATOM 1233 O SER A 86 -2.978 7.922 7.471 1.00 0.00 O ATOM 1234 CB SER A 86 -0.829 7.604 9.995 1.00 0.00 C ATOM 1235 OG SER A 86 0.578 7.599 10.182 1.00 0.00 O ATOM 0 H SER A 86 -0.714 8.165 7.165 1.00 0.00 H new ATOM 0 HA SER A 86 -1.073 5.795 8.889 1.00 0.00 H new ATOM 0 HB2 SER A 86 -1.189 8.632 9.946 1.00 0.00 H new ATOM 0 HB3 SER A 86 -1.314 7.137 10.852 1.00 0.00 H new ATOM 0 HG SER A 86 0.784 7.783 11.122 1.00 0.00 H new ATOM 1241 N PHE A 87 -3.610 6.452 9.051 1.00 0.00 N ATOM 1242 CA PHE A 87 -5.035 6.511 8.745 1.00 0.00 C ATOM 1243 C PHE A 87 -5.853 6.805 9.996 1.00 0.00 C ATOM 1244 O PHE A 87 -5.351 6.689 11.114 1.00 0.00 O ATOM 1245 CB PHE A 87 -5.490 5.224 8.054 1.00 0.00 C ATOM 1246 CG PHE A 87 -4.888 5.016 6.678 1.00 0.00 C ATOM 1247 CD1 PHE A 87 -5.379 5.719 5.561 1.00 0.00 C ATOM 1248 CD2 PHE A 87 -3.816 4.124 6.519 1.00 0.00 C ATOM 1249 CE1 PHE A 87 -4.796 5.523 4.296 1.00 0.00 C ATOM 1250 CE2 PHE A 87 -3.226 3.937 5.256 1.00 0.00 C ATOM 1251 CZ PHE A 87 -3.726 4.628 4.141 1.00 0.00 C ATOM 0 H PHE A 87 -3.388 5.857 9.849 1.00 0.00 H new ATOM 0 HA PHE A 87 -5.206 7.335 8.052 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -5.231 4.374 8.685 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -6.576 5.236 7.966 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -6.203 6.408 5.676 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -3.442 3.578 7.372 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -5.173 6.063 3.440 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -2.390 3.263 5.144 1.00 0.00 H new ATOM 0 HZ PHE A 87 -3.288 4.471 3.166 1.00 0.00 H new ATOM 1261 N GLY A 88 -7.108 7.205 9.797 1.00 0.00 N ATOM 1262 CA GLY A 88 -8.101 7.405 10.844 1.00 0.00 C ATOM 1263 C GLY A 88 -9.016 6.192 10.934 1.00 0.00 C ATOM 1264 O GLY A 88 -8.596 5.077 10.622 1.00 0.00 O ATOM 0 H GLY A 88 -7.472 7.406 8.865 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -7.605 7.568 11.801 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -8.688 8.299 10.633 1.00 0.00 H new ATOM 1268 N THR A 89 -10.256 6.400 11.371 1.00 0.00 N ATOM 1269 CA THR A 89 -11.291 5.389 11.340 1.00 0.00 C ATOM 1270 C THR A 89 -11.595 5.117 9.858 1.00 0.00 C ATOM 1271 O THR A 89 -11.880 6.032 9.083 1.00 0.00 O ATOM 1272 CB THR A 89 -12.469 5.858 12.225 1.00 0.00 C ATOM 1273 OG1 THR A 89 -13.234 4.781 12.728 1.00 0.00 O ATOM 1274 CG2 THR A 89 -13.415 6.885 11.597 1.00 0.00 C ATOM 0 H THR A 89 -10.567 7.290 11.760 1.00 0.00 H new ATOM 0 HA THR A 89 -11.007 4.429 11.771 1.00 0.00 H new ATOM 0 HB THR A 89 -11.954 6.370 13.038 1.00 0.00 H new ATOM 0 HG1 THR A 89 -13.964 5.129 13.282 1.00 0.00 H new ATOM 0 HG21 THR A 89 -14.201 7.139 12.309 1.00 0.00 H new ATOM 0 HG22 THR A 89 -12.856 7.784 11.338 1.00 0.00 H new ATOM 0 HG23 THR A 89 -13.863 6.464 10.697 1.00 0.00 H new ATOM 1282 N LEU A 90 -11.423 3.866 9.445 1.00 0.00 N ATOM 1283 CA LEU A 90 -11.620 3.362 8.086 1.00 0.00 C ATOM 1284 C LEU A 90 -12.833 2.429 8.021 1.00 0.00 C ATOM 1285 O LEU A 90 -13.309 1.959 9.059 1.00 0.00 O ATOM 1286 CB LEU A 90 -10.349 2.598 7.673 1.00 0.00 C ATOM 1287 CG LEU A 90 -9.068 3.445 7.563 1.00 0.00 C ATOM 1288 CD1 LEU A 90 -7.908 2.507 7.248 1.00 0.00 C ATOM 1289 CD2 LEU A 90 -9.150 4.562 6.515 1.00 0.00 C ATOM 0 H LEU A 90 -11.125 3.131 10.086 1.00 0.00 H new ATOM 0 HA LEU A 90 -11.805 4.196 7.408 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -10.175 1.801 8.396 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -10.531 2.120 6.710 1.00 0.00 H new ATOM 0 HG LEU A 90 -8.923 3.954 8.516 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -6.986 3.083 7.165 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -7.806 1.773 8.047 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -8.101 1.993 6.306 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -8.210 5.114 6.497 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -9.334 4.127 5.533 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -9.964 5.241 6.769 1.00 0.00 H new ATOM 1301 N GLY A 91 -13.308 2.099 6.817 1.00 0.00 N ATOM 1302 CA GLY A 91 -14.405 1.160 6.622 1.00 0.00 C ATOM 1303 C GLY A 91 -14.996 1.264 5.222 1.00 0.00 C ATOM 1304 O GLY A 91 -14.359 1.793 4.309 1.00 0.00 O ATOM 0 H GLY A 91 -12.937 2.481 5.947 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -14.048 0.144 6.792 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -15.183 1.352 7.360 1.00 0.00 H new ATOM 1308 N GLY A 92 -16.156 0.647 5.010 1.00 0.00 N ATOM 1309 CA GLY A 92 -16.861 0.553 3.736 1.00 0.00 C ATOM 1310 C GLY A 92 -18.172 -0.219 3.940 1.00 0.00 C ATOM 1311 O GLY A 92 -18.690 -0.263 5.057 1.00 0.00 O ATOM 0 H GLY A 92 -16.655 0.174 5.763 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -17.069 1.550 3.347 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -16.238 0.047 2.999 1.00 0.00 H new ATOM 1315 N THR A 93 -18.729 -0.820 2.891 1.00 0.00 N ATOM 1316 CA THR A 93 -19.714 -1.901 2.999 1.00 0.00 C ATOM 1317 C THR A 93 -18.970 -3.251 3.006 1.00 0.00 C ATOM 1318 O THR A 93 -17.773 -3.322 2.703 1.00 0.00 O ATOM 1319 CB THR A 93 -20.842 -1.784 1.950 1.00 0.00 C ATOM 1320 OG1 THR A 93 -21.653 -2.934 1.854 1.00 0.00 O ATOM 1321 CG2 THR A 93 -20.252 -1.474 0.610 1.00 0.00 C ATOM 0 H THR A 93 -18.508 -0.569 1.928 1.00 0.00 H new ATOM 0 HA THR A 93 -20.250 -1.821 3.945 1.00 0.00 H new ATOM 0 HB THR A 93 -21.491 -0.976 2.286 1.00 0.00 H new ATOM 0 HG1 THR A 93 -22.345 -2.791 1.175 1.00 0.00 H new ATOM 0 HG21 THR A 93 -21.049 -1.392 -0.129 1.00 0.00 H new ATOM 0 HG22 THR A 93 -19.707 -0.532 0.662 1.00 0.00 H new ATOM 0 HG23 THR A 93 -19.569 -2.273 0.319 1.00 0.00 H new ATOM 1329 N ARG A 94 -19.695 -4.331 3.297 1.00 0.00 N ATOM 1330 CA ARG A 94 -19.302 -5.712 3.063 1.00 0.00 C ATOM 1331 C ARG A 94 -20.330 -6.258 2.093 1.00 0.00 C ATOM 1332 O ARG A 94 -21.370 -6.766 2.515 1.00 0.00 O ATOM 1333 CB ARG A 94 -19.287 -6.536 4.352 1.00 0.00 C ATOM 1334 CG ARG A 94 -18.309 -6.009 5.404 1.00 0.00 C ATOM 1335 CD ARG A 94 -17.816 -7.178 6.243 1.00 0.00 C ATOM 1336 NE ARG A 94 -18.912 -7.942 6.876 1.00 0.00 N ATOM 1337 CZ ARG A 94 -18.818 -9.208 7.289 1.00 0.00 C ATOM 1338 NH1 ARG A 94 -17.640 -9.809 7.362 1.00 0.00 N ATOM 1339 NH2 ARG A 94 -19.909 -9.874 7.629 1.00 0.00 N ATOM 0 H ARG A 94 -20.618 -4.258 3.724 1.00 0.00 H new ATOM 0 HA ARG A 94 -18.287 -5.766 2.670 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -20.291 -6.550 4.776 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -19.028 -7.567 4.111 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -17.469 -5.510 4.922 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -18.798 -5.269 6.038 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -17.231 -7.848 5.613 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -17.147 -6.804 7.018 1.00 0.00 H new ATOM 0 HE ARG A 94 -19.805 -7.467 7.007 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -16.793 -9.304 7.101 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -17.580 -10.777 7.679 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -20.821 -9.420 7.575 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -19.838 -10.841 7.945 1.00 0.00 H new ATOM 1353 N MET A 95 -20.116 -6.053 0.799 1.00 0.00 N ATOM 1354 CA MET A 95 -20.991 -6.646 -0.197 1.00 0.00 C ATOM 1355 C MET A 95 -20.526 -8.084 -0.409 1.00 0.00 C ATOM 1356 O MET A 95 -19.349 -8.399 -0.199 1.00 0.00 O ATOM 1357 CB MET A 95 -20.968 -5.852 -1.503 1.00 0.00 C ATOM 1358 CG MET A 95 -21.064 -4.332 -1.279 1.00 0.00 C ATOM 1359 SD MET A 95 -20.831 -3.322 -2.760 1.00 0.00 S ATOM 1360 CE MET A 95 -19.137 -2.735 -2.511 1.00 0.00 C ATOM 0 H MET A 95 -19.355 -5.489 0.421 1.00 0.00 H new ATOM 0 HA MET A 95 -22.025 -6.630 0.148 1.00 0.00 H new ATOM 0 HB2 MET A 95 -20.049 -6.078 -2.044 1.00 0.00 H new ATOM 0 HB3 MET A 95 -21.796 -6.175 -2.134 1.00 0.00 H new ATOM 0 HG2 MET A 95 -22.041 -4.104 -0.853 1.00 0.00 H new ATOM 0 HG3 MET A 95 -20.318 -4.042 -0.539 1.00 0.00 H new ATOM 0 HE1 MET A 95 -19.149 -1.664 -2.308 1.00 0.00 H new ATOM 0 HE2 MET A 95 -18.691 -3.260 -1.666 1.00 0.00 H new ATOM 0 HE3 MET A 95 -18.550 -2.927 -3.409 1.00 0.00 H new ATOM 1370 N ALA A 96 -21.438 -8.948 -0.844 1.00 0.00 N ATOM 1371 CA ALA A 96 -21.152 -10.365 -1.013 1.00 0.00 C ATOM 1372 C ALA A 96 -20.557 -10.577 -2.399 1.00 0.00 C ATOM 1373 O ALA A 96 -21.179 -10.219 -3.402 1.00 0.00 O ATOM 1374 CB ALA A 96 -22.408 -11.213 -0.818 1.00 0.00 C ATOM 0 H ALA A 96 -22.393 -8.685 -1.088 1.00 0.00 H new ATOM 0 HA ALA A 96 -20.437 -10.683 -0.254 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -22.160 -12.266 -0.951 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -22.800 -11.057 0.187 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -23.161 -10.922 -1.551 1.00 0.00 H new ATOM 1380 N CYS A 97 -19.359 -11.150 -2.450 1.00 0.00 N ATOM 1381 CA CYS A 97 -18.559 -11.249 -3.663 1.00 0.00 C ATOM 1382 C CYS A 97 -18.187 -12.695 -3.979 1.00 0.00 C ATOM 1383 O CYS A 97 -18.135 -13.069 -5.147 1.00 0.00 O ATOM 1384 CB CYS A 97 -17.317 -10.389 -3.464 1.00 0.00 C ATOM 1385 SG CYS A 97 -17.666 -8.687 -3.004 1.00 0.00 S ATOM 0 H CYS A 97 -18.910 -11.566 -1.634 1.00 0.00 H new ATOM 0 HA CYS A 97 -19.135 -10.893 -4.517 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -16.695 -10.842 -2.692 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -16.735 -10.393 -4.385 1.00 0.00 H new ATOM 1390 N MET A 98 -18.001 -13.511 -2.934 1.00 0.00 N ATOM 1391 CA MET A 98 -17.546 -14.897 -3.000 1.00 0.00 C ATOM 1392 C MET A 98 -16.341 -15.060 -3.943 1.00 0.00 C ATOM 1393 O MET A 98 -16.369 -15.840 -4.896 1.00 0.00 O ATOM 1394 CB MET A 98 -18.720 -15.864 -3.251 1.00 0.00 C ATOM 1395 CG MET A 98 -19.474 -15.708 -4.574 1.00 0.00 C ATOM 1396 SD MET A 98 -20.651 -17.043 -4.896 1.00 0.00 S ATOM 1397 CE MET A 98 -22.090 -16.406 -4.014 1.00 0.00 C ATOM 0 H MET A 98 -18.173 -13.204 -1.977 1.00 0.00 H new ATOM 0 HA MET A 98 -17.158 -15.186 -2.023 1.00 0.00 H new ATOM 0 HB2 MET A 98 -18.338 -16.883 -3.196 1.00 0.00 H new ATOM 0 HB3 MET A 98 -19.435 -15.748 -2.437 1.00 0.00 H new ATOM 0 HG2 MET A 98 -20.007 -14.757 -4.569 1.00 0.00 H new ATOM 0 HG3 MET A 98 -18.753 -15.665 -5.391 1.00 0.00 H new ATOM 0 HE1 MET A 98 -22.916 -17.110 -4.109 1.00 0.00 H new ATOM 0 HE2 MET A 98 -21.843 -16.277 -2.960 1.00 0.00 H new ATOM 0 HE3 MET A 98 -22.381 -15.445 -4.439 1.00 0.00 H new ATOM 1407 N THR A 99 -15.278 -14.299 -3.673 1.00 0.00 N ATOM 1408 CA THR A 99 -14.050 -14.305 -4.456 1.00 0.00 C ATOM 1409 C THR A 99 -12.825 -14.113 -3.552 1.00 0.00 C ATOM 1410 O THR A 99 -12.939 -13.508 -2.478 1.00 0.00 O ATOM 1411 CB THR A 99 -14.096 -13.169 -5.489 1.00 0.00 C ATOM 1412 OG1 THR A 99 -14.512 -11.961 -4.877 1.00 0.00 O ATOM 1413 CG2 THR A 99 -14.994 -13.472 -6.684 1.00 0.00 C ATOM 0 H THR A 99 -15.251 -13.650 -2.887 1.00 0.00 H new ATOM 0 HA THR A 99 -13.967 -15.268 -4.960 1.00 0.00 H new ATOM 0 HB THR A 99 -13.080 -13.067 -5.871 1.00 0.00 H new ATOM 0 HG1 THR A 99 -14.535 -11.246 -5.547 1.00 0.00 H new ATOM 0 HG21 THR A 99 -14.980 -12.628 -7.373 1.00 0.00 H new ATOM 0 HG22 THR A 99 -14.631 -14.364 -7.195 1.00 0.00 H new ATOM 0 HG23 THR A 99 -16.014 -13.641 -6.339 1.00 0.00 H new ATOM 1421 N PRO A 100 -11.619 -14.497 -4.007 1.00 0.00 N ATOM 1422 CA PRO A 100 -10.386 -14.250 -3.275 1.00 0.00 C ATOM 1423 C PRO A 100 -9.993 -12.768 -3.312 1.00 0.00 C ATOM 1424 O PRO A 100 -9.395 -12.272 -2.354 1.00 0.00 O ATOM 1425 CB PRO A 100 -9.341 -15.155 -3.932 1.00 0.00 C ATOM 1426 CG PRO A 100 -9.843 -15.321 -5.367 1.00 0.00 C ATOM 1427 CD PRO A 100 -11.360 -15.242 -5.228 1.00 0.00 C ATOM 0 HA PRO A 100 -10.488 -14.478 -2.214 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -8.349 -14.703 -3.906 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -9.267 -16.115 -3.422 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -9.459 -14.537 -6.019 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -9.529 -16.273 -5.794 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -11.804 -14.743 -6.089 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -11.798 -16.239 -5.176 1.00 0.00 H new ATOM 1435 N GLY A 101 -10.347 -12.027 -4.372 1.00 0.00 N ATOM 1436 CA GLY A 101 -10.244 -10.568 -4.369 1.00 0.00 C ATOM 1437 C GLY A 101 -11.378 -9.936 -3.552 1.00 0.00 C ATOM 1438 O GLY A 101 -11.332 -8.743 -3.294 1.00 0.00 O ATOM 0 H GLY A 101 -10.707 -12.419 -5.242 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -9.282 -10.269 -3.953 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -10.278 -10.196 -5.393 1.00 0.00 H new ATOM 1442 N GLY A 102 -12.369 -10.696 -3.078 1.00 0.00 N ATOM 1443 CA GLY A 102 -13.403 -10.199 -2.177 1.00 0.00 C ATOM 1444 C GLY A 102 -13.018 -10.403 -0.716 1.00 0.00 C ATOM 1445 O GLY A 102 -13.218 -9.511 0.112 1.00 0.00 O ATOM 0 H GLY A 102 -12.474 -11.683 -3.314 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -13.572 -9.139 -2.365 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -14.343 -10.712 -2.382 1.00 0.00 H new ATOM 1449 N GLN A 103 -12.464 -11.567 -0.368 1.00 0.00 N ATOM 1450 CA GLN A 103 -12.219 -11.907 1.031 1.00 0.00 C ATOM 1451 C GLN A 103 -11.060 -11.119 1.640 1.00 0.00 C ATOM 1452 O GLN A 103 -10.963 -11.018 2.864 1.00 0.00 O ATOM 1453 CB GLN A 103 -12.020 -13.415 1.211 1.00 0.00 C ATOM 1454 CG GLN A 103 -13.325 -14.177 0.917 1.00 0.00 C ATOM 1455 CD GLN A 103 -13.662 -15.237 1.965 1.00 0.00 C ATOM 1456 OE1 GLN A 103 -13.818 -16.414 1.659 1.00 0.00 O ATOM 1457 NE2 GLN A 103 -13.851 -14.852 3.216 1.00 0.00 N ATOM 0 H GLN A 103 -12.179 -12.285 -1.034 1.00 0.00 H new ATOM 0 HA GLN A 103 -13.114 -11.614 1.580 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -11.231 -13.764 0.545 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -11.693 -13.624 2.229 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -14.147 -13.464 0.856 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -13.245 -14.655 -0.059 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -13.722 -13.874 3.473 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -14.126 -15.534 3.923 1.00 0.00 H new ATOM 1466 N ILE A 104 -10.185 -10.550 0.815 1.00 0.00 N ATOM 1467 CA ILE A 104 -9.030 -9.771 1.245 1.00 0.00 C ATOM 1468 C ILE A 104 -9.410 -8.465 1.969 1.00 0.00 C ATOM 1469 O ILE A 104 -8.573 -7.899 2.670 1.00 0.00 O ATOM 1470 CB ILE A 104 -8.101 -9.567 0.030 1.00 0.00 C ATOM 1471 CG1 ILE A 104 -6.847 -8.787 0.460 1.00 0.00 C ATOM 1472 CG2 ILE A 104 -8.801 -8.897 -1.166 1.00 0.00 C ATOM 1473 CD1 ILE A 104 -5.684 -8.951 -0.499 1.00 0.00 C ATOM 0 H ILE A 104 -10.263 -10.621 -0.200 1.00 0.00 H new ATOM 0 HA ILE A 104 -8.485 -10.326 2.009 1.00 0.00 H new ATOM 0 HB ILE A 104 -7.806 -10.555 -0.324 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -7.095 -7.729 0.542 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -6.542 -9.121 1.452 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -8.092 -8.783 -1.986 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -9.636 -9.516 -1.492 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -9.171 -7.916 -0.868 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -4.831 -8.376 -0.138 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -5.411 -10.004 -0.563 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -5.973 -8.591 -1.486 1.00 0.00 H new ATOM 1485 N GLU A 105 -10.658 -8.000 1.864 1.00 0.00 N ATOM 1486 CA GLU A 105 -11.163 -6.805 2.543 1.00 0.00 C ATOM 1487 C GLU A 105 -10.761 -6.801 4.028 1.00 0.00 C ATOM 1488 O GLU A 105 -10.135 -5.844 4.487 1.00 0.00 O ATOM 1489 CB GLU A 105 -12.673 -6.702 2.249 1.00 0.00 C ATOM 1490 CG GLU A 105 -13.487 -5.732 3.121 1.00 0.00 C ATOM 1491 CD GLU A 105 -14.330 -6.509 4.139 1.00 0.00 C ATOM 1492 OE1 GLU A 105 -13.795 -6.902 5.201 1.00 0.00 O ATOM 1493 OE2 GLU A 105 -15.471 -6.908 3.834 1.00 0.00 O ATOM 0 H GLU A 105 -11.364 -8.458 1.288 1.00 0.00 H new ATOM 0 HA GLU A 105 -10.706 -5.891 2.163 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -12.796 -6.406 1.207 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -13.107 -7.696 2.352 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -12.815 -5.049 3.641 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -14.136 -5.123 2.491 1.00 0.00 H new ATOM 1500 N GLY A 106 -11.000 -7.895 4.755 1.00 0.00 N ATOM 1501 CA GLY A 106 -10.773 -7.940 6.195 1.00 0.00 C ATOM 1502 C GLY A 106 -9.307 -8.137 6.567 1.00 0.00 C ATOM 1503 O GLY A 106 -8.918 -7.813 7.690 1.00 0.00 O ATOM 0 H GLY A 106 -11.354 -8.767 4.362 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -11.133 -7.013 6.642 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -11.362 -8.751 6.624 1.00 0.00 H new ATOM 1507 N ALA A 107 -8.471 -8.634 5.647 1.00 0.00 N ATOM 1508 CA ALA A 107 -7.033 -8.635 5.849 1.00 0.00 C ATOM 1509 C ALA A 107 -6.530 -7.204 5.714 1.00 0.00 C ATOM 1510 O ALA A 107 -5.794 -6.713 6.568 1.00 0.00 O ATOM 1511 CB ALA A 107 -6.373 -9.560 4.820 1.00 0.00 C ATOM 0 H ALA A 107 -8.773 -9.038 4.760 1.00 0.00 H new ATOM 0 HA ALA A 107 -6.780 -9.007 6.842 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -5.294 -9.561 4.971 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -6.757 -10.573 4.942 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -6.598 -9.205 3.814 1.00 0.00 H new ATOM 1517 N TYR A 108 -6.908 -6.540 4.622 1.00 0.00 N ATOM 1518 CA TYR A 108 -6.395 -5.231 4.266 1.00 0.00 C ATOM 1519 C TYR A 108 -6.781 -4.205 5.329 1.00 0.00 C ATOM 1520 O TYR A 108 -5.914 -3.488 5.816 1.00 0.00 O ATOM 1521 CB TYR A 108 -6.949 -4.851 2.888 1.00 0.00 C ATOM 1522 CG TYR A 108 -6.462 -3.527 2.328 1.00 0.00 C ATOM 1523 CD1 TYR A 108 -5.083 -3.245 2.256 1.00 0.00 C ATOM 1524 CD2 TYR A 108 -7.391 -2.585 1.847 1.00 0.00 C ATOM 1525 CE1 TYR A 108 -4.632 -2.035 1.704 1.00 0.00 C ATOM 1526 CE2 TYR A 108 -6.948 -1.376 1.283 1.00 0.00 C ATOM 1527 CZ TYR A 108 -5.566 -1.094 1.216 1.00 0.00 C ATOM 1528 OH TYR A 108 -5.147 0.091 0.698 1.00 0.00 O ATOM 0 H TYR A 108 -7.588 -6.907 3.956 1.00 0.00 H new ATOM 0 HA TYR A 108 -5.306 -5.250 4.218 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -6.691 -5.641 2.182 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -8.037 -4.821 2.949 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -4.368 -3.964 2.628 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -8.449 -2.792 1.912 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -3.574 -1.824 1.653 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -7.664 -0.663 0.901 1.00 0.00 H new ATOM 0 HH TYR A 108 -5.916 0.583 0.343 1.00 0.00 H new ATOM 1538 N LEU A 109 -8.056 -4.165 5.736 1.00 0.00 N ATOM 1539 CA LEU A 109 -8.521 -3.234 6.763 1.00 0.00 C ATOM 1540 C LEU A 109 -7.801 -3.446 8.100 1.00 0.00 C ATOM 1541 O LEU A 109 -7.652 -2.479 8.847 1.00 0.00 O ATOM 1542 CB LEU A 109 -10.042 -3.356 6.960 1.00 0.00 C ATOM 1543 CG LEU A 109 -10.939 -2.763 5.854 1.00 0.00 C ATOM 1544 CD1 LEU A 109 -12.390 -2.900 6.323 1.00 0.00 C ATOM 1545 CD2 LEU A 109 -10.636 -1.300 5.491 1.00 0.00 C ATOM 0 H LEU A 109 -8.786 -4.773 5.364 1.00 0.00 H new ATOM 0 HA LEU A 109 -8.285 -2.229 6.413 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -10.287 -4.413 7.065 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -10.302 -2.874 7.902 1.00 0.00 H new ATOM 0 HG LEU A 109 -10.742 -3.319 4.937 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -13.058 -2.490 5.565 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -12.623 -3.953 6.481 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -12.523 -2.354 7.257 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -11.317 -0.972 4.706 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -10.768 -0.672 6.372 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -9.608 -1.218 5.138 1.00 0.00 H new ATOM 1557 N ASN A 110 -7.330 -4.668 8.388 1.00 0.00 N ATOM 1558 CA ASN A 110 -6.465 -4.945 9.539 1.00 0.00 C ATOM 1559 C ASN A 110 -5.107 -4.290 9.327 1.00 0.00 C ATOM 1560 O ASN A 110 -4.657 -3.500 10.152 1.00 0.00 O ATOM 1561 CB ASN A 110 -6.277 -6.458 9.780 1.00 0.00 C ATOM 1562 CG ASN A 110 -5.949 -6.728 11.245 1.00 0.00 C ATOM 1563 OD1 ASN A 110 -6.864 -6.968 12.030 1.00 0.00 O ATOM 1564 ND2 ASN A 110 -4.697 -6.670 11.665 1.00 0.00 N ATOM 0 H ASN A 110 -7.540 -5.493 7.826 1.00 0.00 H new ATOM 0 HA ASN A 110 -6.952 -4.530 10.422 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -7.185 -6.993 9.500 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -5.475 -6.837 9.146 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -4.482 -6.825 12.650 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -3.946 -6.470 11.004 1.00 0.00 H new ATOM 1571 N ALA A 111 -4.461 -4.614 8.208 1.00 0.00 N ATOM 1572 CA ALA A 111 -3.120 -4.170 7.870 1.00 0.00 C ATOM 1573 C ALA A 111 -3.004 -2.641 7.820 1.00 0.00 C ATOM 1574 O ALA A 111 -1.970 -2.113 8.219 1.00 0.00 O ATOM 1575 CB ALA A 111 -2.726 -4.809 6.540 1.00 0.00 C ATOM 0 H ALA A 111 -4.874 -5.212 7.492 1.00 0.00 H new ATOM 0 HA ALA A 111 -2.432 -4.488 8.653 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -1.721 -4.489 6.266 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -2.747 -5.894 6.637 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -3.428 -4.500 5.766 1.00 0.00 H new ATOM 1581 N LEU A 112 -4.063 -1.927 7.415 1.00 0.00 N ATOM 1582 CA LEU A 112 -4.108 -0.461 7.414 1.00 0.00 C ATOM 1583 C LEU A 112 -4.050 0.150 8.829 1.00 0.00 C ATOM 1584 O LEU A 112 -3.990 1.377 8.952 1.00 0.00 O ATOM 1585 CB LEU A 112 -5.347 0.058 6.651 1.00 0.00 C ATOM 1586 CG LEU A 112 -5.367 -0.168 5.122 1.00 0.00 C ATOM 1587 CD1 LEU A 112 -6.586 0.533 4.510 1.00 0.00 C ATOM 1588 CD2 LEU A 112 -4.115 0.363 4.419 1.00 0.00 C ATOM 0 H LEU A 112 -4.923 -2.358 7.075 1.00 0.00 H new ATOM 0 HA LEU A 112 -3.208 -0.133 6.894 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -6.232 -0.416 7.076 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -5.438 1.128 6.838 1.00 0.00 H new ATOM 0 HG LEU A 112 -5.408 -1.247 4.973 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -6.596 0.371 3.432 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -7.498 0.125 4.947 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -6.532 1.602 4.716 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -4.191 0.174 3.348 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -4.028 1.436 4.592 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -3.234 -0.142 4.815 1.00 0.00 H new ATOM 1600 N THR A 113 -4.036 -0.657 9.895 1.00 0.00 N ATOM 1601 CA THR A 113 -3.762 -0.213 11.264 1.00 0.00 C ATOM 1602 C THR A 113 -2.326 -0.564 11.704 1.00 0.00 C ATOM 1603 O THR A 113 -2.002 -0.473 12.891 1.00 0.00 O ATOM 1604 CB THR A 113 -4.871 -0.682 12.232 1.00 0.00 C ATOM 1605 OG1 THR A 113 -5.009 -2.085 12.345 1.00 0.00 O ATOM 1606 CG2 THR A 113 -6.246 -0.148 11.825 1.00 0.00 C ATOM 0 H THR A 113 -4.219 -1.658 9.828 1.00 0.00 H new ATOM 0 HA THR A 113 -3.796 0.876 11.294 1.00 0.00 H new ATOM 0 HB THR A 113 -4.543 -0.281 13.191 1.00 0.00 H new ATOM 0 HG1 THR A 113 -5.161 -2.471 11.457 1.00 0.00 H new ATOM 0 HG21 THR A 113 -6.997 -0.501 12.532 1.00 0.00 H new ATOM 0 HG22 THR A 113 -6.229 0.942 11.828 1.00 0.00 H new ATOM 0 HG23 THR A 113 -6.493 -0.504 10.825 1.00 0.00 H new ATOM 1614 N HIS A 114 -1.460 -0.981 10.774 1.00 0.00 N ATOM 1615 CA HIS A 114 -0.091 -1.420 11.019 1.00 0.00 C ATOM 1616 C HIS A 114 0.869 -0.811 9.980 1.00 0.00 C ATOM 1617 O HIS A 114 1.714 -1.514 9.423 1.00 0.00 O ATOM 1618 CB HIS A 114 -0.026 -2.961 11.026 1.00 0.00 C ATOM 1619 CG HIS A 114 -0.655 -3.640 12.214 1.00 0.00 C ATOM 1620 ND1 HIS A 114 0.021 -4.410 13.132 1.00 0.00 N ATOM 1621 CD2 HIS A 114 -1.987 -3.716 12.515 1.00 0.00 C ATOM 1622 CE1 HIS A 114 -0.872 -4.912 13.996 1.00 0.00 C ATOM 1623 NE2 HIS A 114 -2.113 -4.521 13.651 1.00 0.00 N ATOM 0 H HIS A 114 -1.711 -1.022 9.786 1.00 0.00 H new ATOM 0 HA HIS A 114 0.229 -1.066 11.999 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -0.511 -3.330 10.122 1.00 0.00 H new ATOM 0 HB3 HIS A 114 1.020 -3.262 10.972 1.00 0.00 H new ATOM 0 HD1 HIS A 114 1.028 -4.571 13.152 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -2.793 -3.242 11.975 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -0.632 -5.537 14.843 1.00 0.00 H new ATOM 1631 N ILE A 115 0.761 0.479 9.644 1.00 0.00 N ATOM 1632 CA ILE A 115 1.878 1.178 9.030 1.00 0.00 C ATOM 1633 C ILE A 115 2.816 1.544 10.175 1.00 0.00 C ATOM 1634 O ILE A 115 2.668 2.611 10.777 1.00 0.00 O ATOM 1635 CB ILE A 115 1.426 2.418 8.226 1.00 0.00 C ATOM 1636 CG1 ILE A 115 0.280 2.126 7.243 1.00 0.00 C ATOM 1637 CG2 ILE A 115 2.604 2.921 7.392 1.00 0.00 C ATOM 1638 CD1 ILE A 115 -1.096 2.337 7.837 1.00 0.00 C ATOM 0 H ILE A 115 -0.075 1.045 9.786 1.00 0.00 H new ATOM 0 HA ILE A 115 2.379 0.547 8.296 1.00 0.00 H new ATOM 0 HB ILE A 115 1.076 3.147 8.957 1.00 0.00 H new ATOM 0 HG12 ILE A 115 0.391 2.766 6.368 1.00 0.00 H new ATOM 0 HG13 ILE A 115 0.363 1.096 6.897 1.00 0.00 H new ATOM 0 HG21 ILE A 115 2.297 3.796 6.820 1.00 0.00 H new ATOM 0 HG22 ILE A 115 3.429 3.190 8.052 1.00 0.00 H new ATOM 0 HG23 ILE A 115 2.927 2.136 6.709 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -1.854 2.112 7.087 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -1.227 1.677 8.695 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -1.199 3.374 8.158 1.00 0.00 H new ATOM 1650 N ASP A 116 3.781 0.679 10.486 1.00 0.00 N ATOM 1651 CA ASP A 116 4.867 1.051 11.388 1.00 0.00 C ATOM 1652 C ASP A 116 5.957 1.731 10.563 1.00 0.00 C ATOM 1653 O ASP A 116 6.695 2.584 11.062 1.00 0.00 O ATOM 1654 CB ASP A 116 5.409 -0.182 12.129 1.00 0.00 C ATOM 1655 CG ASP A 116 5.618 0.150 13.601 1.00 0.00 C ATOM 1656 OD1 ASP A 116 6.508 0.960 13.943 1.00 0.00 O ATOM 1657 OD2 ASP A 116 4.801 -0.329 14.423 1.00 0.00 O ATOM 0 H ASP A 116 3.832 -0.275 10.130 1.00 0.00 H new ATOM 0 HA ASP A 116 4.503 1.740 12.150 1.00 0.00 H new ATOM 0 HB2 ASP A 116 4.711 -1.013 12.030 1.00 0.00 H new ATOM 0 HB3 ASP A 116 6.350 -0.502 11.682 1.00 0.00 H new ATOM 1662 N ARG A 117 6.029 1.358 9.278 1.00 0.00 N ATOM 1663 CA ARG A 117 7.036 1.704 8.296 1.00 0.00 C ATOM 1664 C ARG A 117 6.504 1.821 6.882 1.00 0.00 C ATOM 1665 O ARG A 117 5.393 1.403 6.562 1.00 0.00 O ATOM 1666 CB ARG A 117 8.296 0.848 8.424 1.00 0.00 C ATOM 1667 CG ARG A 117 8.168 -0.492 9.140 1.00 0.00 C ATOM 1668 CD ARG A 117 9.543 -0.972 9.563 1.00 0.00 C ATOM 1669 NE ARG A 117 10.415 -1.465 8.485 1.00 0.00 N ATOM 1670 CZ ARG A 117 11.188 -2.557 8.573 1.00 0.00 C ATOM 1671 NH1 ARG A 117 11.107 -3.401 9.602 1.00 0.00 N ATOM 1672 NH2 ARG A 117 12.055 -2.805 7.601 1.00 0.00 N ATOM 0 H ARG A 117 5.314 0.752 8.875 1.00 0.00 H new ATOM 0 HA ARG A 117 7.349 2.720 8.537 1.00 0.00 H new ATOM 0 HB2 ARG A 117 8.677 0.658 7.420 1.00 0.00 H new ATOM 0 HB3 ARG A 117 9.051 1.437 8.945 1.00 0.00 H new ATOM 0 HG2 ARG A 117 7.522 -0.390 10.012 1.00 0.00 H new ATOM 0 HG3 ARG A 117 7.702 -1.225 8.482 1.00 0.00 H new ATOM 0 HD2 ARG A 117 10.052 -0.152 10.069 1.00 0.00 H new ATOM 0 HD3 ARG A 117 9.418 -1.770 10.295 1.00 0.00 H new ATOM 0 HE ARG A 117 10.433 -0.940 7.611 1.00 0.00 H new ATOM 0 HH11 ARG A 117 10.441 -3.225 10.355 1.00 0.00 H new ATOM 0 HH12 ARG A 117 11.711 -4.222 9.637 1.00 0.00 H new ATOM 0 HH21 ARG A 117 12.125 -2.170 6.806 1.00 0.00 H new ATOM 0 HH22 ARG A 117 12.652 -3.630 7.649 1.00 0.00 H new ATOM 1686 N THR A 118 7.311 2.411 6.017 1.00 0.00 N ATOM 1687 CA THR A 118 6.997 2.661 4.624 1.00 0.00 C ATOM 1688 C THR A 118 8.303 2.908 3.860 1.00 0.00 C ATOM 1689 O THR A 118 9.315 3.290 4.446 1.00 0.00 O ATOM 1690 CB THR A 118 6.009 3.836 4.517 1.00 0.00 C ATOM 1691 OG1 THR A 118 5.563 4.059 3.187 1.00 0.00 O ATOM 1692 CG2 THR A 118 6.632 5.134 4.993 1.00 0.00 C ATOM 0 H THR A 118 8.240 2.742 6.278 1.00 0.00 H new ATOM 0 HA THR A 118 6.508 1.798 4.173 1.00 0.00 H new ATOM 0 HB THR A 118 5.167 3.552 5.147 1.00 0.00 H new ATOM 0 HG1 THR A 118 5.559 3.210 2.697 1.00 0.00 H new ATOM 0 HG21 THR A 118 5.905 5.941 4.903 1.00 0.00 H new ATOM 0 HG22 THR A 118 6.933 5.032 6.036 1.00 0.00 H new ATOM 0 HG23 THR A 118 7.506 5.363 4.383 1.00 0.00 H new ATOM 1700 N GLY A 119 8.243 2.821 2.535 1.00 0.00 N ATOM 1701 CA GLY A 119 9.325 3.176 1.645 1.00 0.00 C ATOM 1702 C GLY A 119 8.744 3.918 0.458 1.00 0.00 C ATOM 1703 O GLY A 119 8.330 3.286 -0.508 1.00 0.00 O ATOM 0 H GLY A 119 7.412 2.491 2.044 1.00 0.00 H new ATOM 0 HA2 GLY A 119 10.053 3.800 2.163 1.00 0.00 H new ATOM 0 HA3 GLY A 119 9.852 2.281 1.312 1.00 0.00 H new ATOM 1707 N VAL A 120 8.668 5.248 0.491 1.00 0.00 N ATOM 1708 CA VAL A 120 8.216 5.981 -0.692 1.00 0.00 C ATOM 1709 C VAL A 120 9.381 6.114 -1.660 1.00 0.00 C ATOM 1710 O VAL A 120 10.443 6.624 -1.295 1.00 0.00 O ATOM 1711 CB VAL A 120 7.628 7.345 -0.328 1.00 0.00 C ATOM 1712 CG1 VAL A 120 7.214 8.092 -1.608 1.00 0.00 C ATOM 1713 CG2 VAL A 120 6.410 7.152 0.578 1.00 0.00 C ATOM 0 H VAL A 120 8.905 5.826 1.297 1.00 0.00 H new ATOM 0 HA VAL A 120 7.411 5.423 -1.170 1.00 0.00 H new ATOM 0 HB VAL A 120 8.379 7.933 0.199 1.00 0.00 H new ATOM 0 HG11 VAL A 120 6.796 9.063 -1.343 1.00 0.00 H new ATOM 0 HG12 VAL A 120 8.087 8.234 -2.245 1.00 0.00 H new ATOM 0 HG13 VAL A 120 6.465 7.508 -2.144 1.00 0.00 H new ATOM 0 HG21 VAL A 120 5.991 8.125 0.837 1.00 0.00 H new ATOM 0 HG22 VAL A 120 5.658 6.561 0.056 1.00 0.00 H new ATOM 0 HG23 VAL A 120 6.712 6.633 1.488 1.00 0.00 H new ATOM 1723 N GLN A 121 9.172 5.669 -2.895 1.00 0.00 N ATOM 1724 CA GLN A 121 10.162 5.601 -3.944 1.00 0.00 C ATOM 1725 C GLN A 121 9.812 6.659 -4.991 1.00 0.00 C ATOM 1726 O GLN A 121 9.090 6.396 -5.954 1.00 0.00 O ATOM 1727 CB GLN A 121 10.153 4.169 -4.487 1.00 0.00 C ATOM 1728 CG GLN A 121 11.389 3.860 -5.330 1.00 0.00 C ATOM 1729 CD GLN A 121 10.992 3.294 -6.685 1.00 0.00 C ATOM 1730 OE1 GLN A 121 11.343 2.173 -7.034 1.00 0.00 O ATOM 1731 NE2 GLN A 121 10.251 4.056 -7.467 1.00 0.00 N ATOM 0 H GLN A 121 8.259 5.331 -3.198 1.00 0.00 H new ATOM 0 HA GLN A 121 11.174 5.816 -3.600 1.00 0.00 H new ATOM 0 HB2 GLN A 121 10.099 3.468 -3.654 1.00 0.00 H new ATOM 0 HB3 GLN A 121 9.258 4.017 -5.090 1.00 0.00 H new ATOM 0 HG2 GLN A 121 11.977 4.768 -5.468 1.00 0.00 H new ATOM 0 HG3 GLN A 121 12.024 3.146 -4.805 1.00 0.00 H new ATOM 0 HE21 GLN A 121 9.971 4.986 -7.156 1.00 0.00 H new ATOM 0 HE22 GLN A 121 9.959 3.715 -8.383 1.00 0.00 H new ATOM 1740 N MET A 122 10.275 7.888 -4.767 1.00 0.00 N ATOM 1741 CA MET A 122 9.970 9.057 -5.584 1.00 0.00 C ATOM 1742 C MET A 122 10.763 9.117 -6.898 1.00 0.00 C ATOM 1743 O MET A 122 10.413 9.866 -7.823 1.00 0.00 O ATOM 1744 CB MET A 122 10.171 10.294 -4.691 1.00 0.00 C ATOM 1745 CG MET A 122 9.608 11.601 -5.253 1.00 0.00 C ATOM 1746 SD MET A 122 8.029 12.121 -4.543 1.00 0.00 S ATOM 1747 CE MET A 122 7.004 10.646 -4.724 1.00 0.00 C ATOM 0 H MET A 122 10.894 8.102 -3.985 1.00 0.00 H new ATOM 0 HA MET A 122 8.937 9.007 -5.928 1.00 0.00 H new ATOM 0 HB2 MET A 122 9.707 10.103 -3.723 1.00 0.00 H new ATOM 0 HB3 MET A 122 11.238 10.424 -4.512 1.00 0.00 H new ATOM 0 HG2 MET A 122 10.340 12.393 -5.093 1.00 0.00 H new ATOM 0 HG3 MET A 122 9.486 11.493 -6.331 1.00 0.00 H new ATOM 0 HE1 MET A 122 5.999 10.854 -4.356 1.00 0.00 H new ATOM 0 HE2 MET A 122 6.954 10.364 -5.776 1.00 0.00 H new ATOM 0 HE3 MET A 122 7.439 9.828 -4.150 1.00 0.00 H new ATOM 1757 N ARG A 123 11.779 8.272 -7.031 1.00 0.00 N ATOM 1758 CA ARG A 123 12.377 7.881 -8.300 1.00 0.00 C ATOM 1759 C ARG A 123 11.288 7.338 -9.215 1.00 0.00 C ATOM 1760 O ARG A 123 10.418 6.618 -8.742 1.00 0.00 O ATOM 1761 CB ARG A 123 13.441 6.812 -7.996 1.00 0.00 C ATOM 1762 CG ARG A 123 14.860 7.132 -8.503 1.00 0.00 C ATOM 1763 CD ARG A 123 15.291 8.593 -8.274 1.00 0.00 C ATOM 1764 NE ARG A 123 16.740 8.752 -8.106 1.00 0.00 N ATOM 1765 CZ ARG A 123 17.726 8.506 -8.972 1.00 0.00 C ATOM 1766 NH1 ARG A 123 17.486 8.193 -10.240 1.00 0.00 N ATOM 1767 NH2 ARG A 123 18.977 8.553 -8.540 1.00 0.00 N ATOM 0 H ARG A 123 12.224 7.825 -6.229 1.00 0.00 H new ATOM 0 HA ARG A 123 12.846 8.726 -8.805 1.00 0.00 H new ATOM 0 HB2 ARG A 123 13.484 6.662 -6.917 1.00 0.00 H new ATOM 0 HB3 ARG A 123 13.120 5.868 -8.436 1.00 0.00 H new ATOM 0 HG2 ARG A 123 15.570 6.472 -8.005 1.00 0.00 H new ATOM 0 HG3 ARG A 123 14.913 6.911 -9.569 1.00 0.00 H new ATOM 0 HD2 ARG A 123 14.962 9.198 -9.119 1.00 0.00 H new ATOM 0 HD3 ARG A 123 14.785 8.979 -7.389 1.00 0.00 H new ATOM 0 HE ARG A 123 17.037 9.101 -7.195 1.00 0.00 H new ATOM 0 HH11 ARG A 123 16.525 8.135 -10.578 1.00 0.00 H new ATOM 0 HH12 ARG A 123 18.262 8.011 -10.876 1.00 0.00 H new ATOM 0 HH21 ARG A 123 19.171 8.774 -7.563 1.00 0.00 H new ATOM 0 HH22 ARG A 123 19.746 8.368 -9.184 1.00 0.00 H new ATOM 1781 N ALA A 124 11.300 7.681 -10.501 1.00 0.00 N ATOM 1782 CA ALA A 124 10.513 6.965 -11.479 1.00 0.00 C ATOM 1783 C ALA A 124 11.097 5.550 -11.645 1.00 0.00 C ATOM 1784 O ALA A 124 12.318 5.387 -11.529 1.00 0.00 O ATOM 1785 CB ALA A 124 10.505 7.733 -12.800 1.00 0.00 C ATOM 0 H ALA A 124 11.849 8.452 -10.882 1.00 0.00 H new ATOM 0 HA ALA A 124 9.479 6.876 -11.146 1.00 0.00 H new ATOM 0 HB1 ALA A 124 9.910 7.189 -13.534 1.00 0.00 H new ATOM 0 HB2 ALA A 124 10.073 8.721 -12.644 1.00 0.00 H new ATOM 0 HB3 ALA A 124 11.526 7.837 -13.166 1.00 0.00 H new ATOM 1791 N PRO A 125 10.278 4.546 -11.995 1.00 0.00 N ATOM 1792 CA PRO A 125 8.823 4.592 -11.990 1.00 0.00 C ATOM 1793 C PRO A 125 8.327 4.628 -10.538 1.00 0.00 C ATOM 1794 O PRO A 125 8.683 3.764 -9.740 1.00 0.00 O ATOM 1795 CB PRO A 125 8.382 3.329 -12.734 1.00 0.00 C ATOM 1796 CG PRO A 125 9.509 2.336 -12.455 1.00 0.00 C ATOM 1797 CD PRO A 125 10.747 3.226 -12.382 1.00 0.00 C ATOM 0 HA PRO A 125 8.411 5.477 -12.475 1.00 0.00 H new ATOM 0 HB2 PRO A 125 7.424 2.961 -12.367 1.00 0.00 H new ATOM 0 HB3 PRO A 125 8.265 3.513 -13.802 1.00 0.00 H new ATOM 0 HG2 PRO A 125 9.347 1.794 -11.523 1.00 0.00 H new ATOM 0 HG3 PRO A 125 9.595 1.591 -13.246 1.00 0.00 H new ATOM 0 HD2 PRO A 125 11.462 2.839 -11.656 1.00 0.00 H new ATOM 0 HD3 PRO A 125 11.258 3.261 -13.344 1.00 0.00 H new ATOM 1805 N GLN A 126 7.605 5.692 -10.172 1.00 0.00 N ATOM 1806 CA GLN A 126 7.277 6.007 -8.783 1.00 0.00 C ATOM 1807 C GLN A 126 6.422 4.903 -8.162 1.00 0.00 C ATOM 1808 O GLN A 126 5.426 4.477 -8.747 1.00 0.00 O ATOM 1809 CB GLN A 126 6.609 7.394 -8.677 1.00 0.00 C ATOM 1810 CG GLN A 126 7.444 8.495 -9.360 1.00 0.00 C ATOM 1811 CD GLN A 126 6.948 9.915 -9.083 1.00 0.00 C ATOM 1812 OE1 GLN A 126 5.953 10.381 -9.636 1.00 0.00 O ATOM 1813 NE2 GLN A 126 7.678 10.663 -8.274 1.00 0.00 N ATOM 0 H GLN A 126 7.229 6.364 -10.841 1.00 0.00 H new ATOM 0 HA GLN A 126 8.203 6.054 -8.210 1.00 0.00 H new ATOM 0 HB2 GLN A 126 5.620 7.355 -9.133 1.00 0.00 H new ATOM 0 HB3 GLN A 126 6.466 7.647 -7.627 1.00 0.00 H new ATOM 0 HG2 GLN A 126 8.478 8.411 -9.027 1.00 0.00 H new ATOM 0 HG3 GLN A 126 7.441 8.324 -10.436 1.00 0.00 H new ATOM 0 HE21 GLN A 126 8.502 10.269 -7.819 1.00 0.00 H new ATOM 0 HE22 GLN A 126 7.418 11.635 -8.104 1.00 0.00 H new ATOM 1822 N GLN A 127 6.808 4.465 -6.965 1.00 0.00 N ATOM 1823 CA GLN A 127 6.144 3.417 -6.200 1.00 0.00 C ATOM 1824 C GLN A 127 6.185 3.759 -4.707 1.00 0.00 C ATOM 1825 O GLN A 127 6.852 4.711 -4.287 1.00 0.00 O ATOM 1826 CB GLN A 127 6.807 2.054 -6.455 1.00 0.00 C ATOM 1827 CG GLN A 127 6.589 1.516 -7.877 1.00 0.00 C ATOM 1828 CD GLN A 127 6.629 -0.009 -7.910 1.00 0.00 C ATOM 1829 OE1 GLN A 127 7.456 -0.643 -7.256 1.00 0.00 O ATOM 1830 NE2 GLN A 127 5.747 -0.652 -8.655 1.00 0.00 N ATOM 0 H GLN A 127 7.623 4.846 -6.485 1.00 0.00 H new ATOM 0 HA GLN A 127 5.105 3.354 -6.523 1.00 0.00 H new ATOM 0 HB2 GLN A 127 7.878 2.141 -6.269 1.00 0.00 H new ATOM 0 HB3 GLN A 127 6.417 1.331 -5.739 1.00 0.00 H new ATOM 0 HG2 GLN A 127 5.628 1.864 -8.255 1.00 0.00 H new ATOM 0 HG3 GLN A 127 7.356 1.916 -8.540 1.00 0.00 H new ATOM 0 HE21 GLN A 127 5.060 -0.129 -9.198 1.00 0.00 H new ATOM 0 HE22 GLN A 127 5.753 -1.671 -8.687 1.00 0.00 H new ATOM 1839 N MET A 128 5.457 2.990 -3.905 1.00 0.00 N ATOM 1840 CA MET A 128 5.385 3.123 -2.462 1.00 0.00 C ATOM 1841 C MET A 128 5.379 1.718 -1.873 1.00 0.00 C ATOM 1842 O MET A 128 4.462 0.943 -2.137 1.00 0.00 O ATOM 1843 CB MET A 128 4.143 3.930 -2.075 1.00 0.00 C ATOM 1844 CG MET A 128 3.942 3.958 -0.555 1.00 0.00 C ATOM 1845 SD MET A 128 2.577 4.995 0.026 1.00 0.00 S ATOM 1846 CE MET A 128 1.232 4.260 -0.936 1.00 0.00 C ATOM 0 H MET A 128 4.880 2.228 -4.260 1.00 0.00 H new ATOM 0 HA MET A 128 6.242 3.668 -2.065 1.00 0.00 H new ATOM 0 HB2 MET A 128 4.239 4.949 -2.449 1.00 0.00 H new ATOM 0 HB3 MET A 128 3.263 3.497 -2.551 1.00 0.00 H new ATOM 0 HG2 MET A 128 3.775 2.938 -0.208 1.00 0.00 H new ATOM 0 HG3 MET A 128 4.864 4.306 -0.089 1.00 0.00 H new ATOM 0 HE1 MET A 128 0.277 4.649 -0.583 1.00 0.00 H new ATOM 0 HE2 MET A 128 1.359 4.511 -1.989 1.00 0.00 H new ATOM 0 HE3 MET A 128 1.249 3.177 -0.816 1.00 0.00 H new ATOM 1856 N GLN A 129 6.384 1.380 -1.070 1.00 0.00 N ATOM 1857 CA GLN A 129 6.269 0.297 -0.111 1.00 0.00 C ATOM 1858 C GLN A 129 5.504 0.784 1.117 1.00 0.00 C ATOM 1859 O GLN A 129 5.641 1.940 1.538 1.00 0.00 O ATOM 1860 CB GLN A 129 7.652 -0.216 0.333 1.00 0.00 C ATOM 1861 CG GLN A 129 8.126 -1.444 -0.455 1.00 0.00 C ATOM 1862 CD GLN A 129 9.403 -2.050 0.137 1.00 0.00 C ATOM 1863 OE1 GLN A 129 10.019 -1.516 1.059 1.00 0.00 O ATOM 1864 NE2 GLN A 129 9.834 -3.196 -0.354 1.00 0.00 N ATOM 0 H GLN A 129 7.291 1.847 -1.069 1.00 0.00 H new ATOM 0 HA GLN A 129 5.737 -0.522 -0.594 1.00 0.00 H new ATOM 0 HB2 GLN A 129 8.383 0.585 0.218 1.00 0.00 H new ATOM 0 HB3 GLN A 129 7.616 -0.465 1.394 1.00 0.00 H new ATOM 0 HG2 GLN A 129 7.337 -2.196 -0.462 1.00 0.00 H new ATOM 0 HG3 GLN A 129 8.306 -1.161 -1.492 1.00 0.00 H new ATOM 0 HE21 GLN A 129 9.329 -3.645 -1.118 1.00 0.00 H new ATOM 0 HE22 GLN A 129 10.672 -3.633 0.031 1.00 0.00 H new ATOM 1873 N LEU A 130 4.805 -0.135 1.775 1.00 0.00 N ATOM 1874 CA LEU A 130 4.488 -0.060 3.197 1.00 0.00 C ATOM 1875 C LEU A 130 5.181 -1.254 3.842 1.00 0.00 C ATOM 1876 O LEU A 130 5.289 -2.301 3.192 1.00 0.00 O ATOM 1877 CB LEU A 130 2.979 -0.128 3.450 1.00 0.00 C ATOM 1878 CG LEU A 130 2.150 1.021 2.853 1.00 0.00 C ATOM 1879 CD1 LEU A 130 0.679 0.763 3.171 1.00 0.00 C ATOM 1880 CD2 LEU A 130 2.527 2.397 3.405 1.00 0.00 C ATOM 0 H LEU A 130 4.435 -0.972 1.324 1.00 0.00 H new ATOM 0 HA LEU A 130 4.826 0.889 3.614 1.00 0.00 H new ATOM 0 HB2 LEU A 130 2.604 -1.069 3.048 1.00 0.00 H new ATOM 0 HB3 LEU A 130 2.810 -0.152 4.527 1.00 0.00 H new ATOM 0 HG LEU A 130 2.349 1.040 1.781 1.00 0.00 H new ATOM 0 HD11 LEU A 130 0.071 1.567 2.756 1.00 0.00 H new ATOM 0 HD12 LEU A 130 0.373 -0.187 2.732 1.00 0.00 H new ATOM 0 HD13 LEU A 130 0.542 0.724 4.252 1.00 0.00 H new ATOM 0 HD21 LEU A 130 1.902 3.159 2.940 1.00 0.00 H new ATOM 0 HD22 LEU A 130 2.373 2.411 4.484 1.00 0.00 H new ATOM 0 HD23 LEU A 130 3.575 2.603 3.185 1.00 0.00 H new ATOM 1892 N VAL A 131 5.627 -1.127 5.092 1.00 0.00 N ATOM 1893 CA VAL A 131 6.134 -2.265 5.837 1.00 0.00 C ATOM 1894 C VAL A 131 5.335 -2.335 7.128 1.00 0.00 C ATOM 1895 O VAL A 131 5.152 -1.323 7.817 1.00 0.00 O ATOM 1896 CB VAL A 131 7.642 -2.153 6.082 1.00 0.00 C ATOM 1897 CG1 VAL A 131 8.206 -3.358 6.855 1.00 0.00 C ATOM 1898 CG2 VAL A 131 8.478 -1.992 4.835 1.00 0.00 C ATOM 0 H VAL A 131 5.645 -0.245 5.604 1.00 0.00 H new ATOM 0 HA VAL A 131 6.009 -3.189 5.272 1.00 0.00 H new ATOM 0 HB VAL A 131 7.720 -1.239 6.671 1.00 0.00 H new ATOM 0 HG11 VAL A 131 9.278 -3.227 7.001 1.00 0.00 H new ATOM 0 HG12 VAL A 131 7.714 -3.431 7.825 1.00 0.00 H new ATOM 0 HG13 VAL A 131 8.026 -4.271 6.287 1.00 0.00 H new ATOM 0 HG21 VAL A 131 9.531 -1.921 5.109 1.00 0.00 H new ATOM 0 HG22 VAL A 131 8.330 -2.853 4.184 1.00 0.00 H new ATOM 0 HG23 VAL A 131 8.178 -1.085 4.310 1.00 0.00 H new ATOM 1908 N LEU A 132 4.841 -3.532 7.428 1.00 0.00 N ATOM 1909 CA LEU A 132 4.165 -3.762 8.692 1.00 0.00 C ATOM 1910 C LEU A 132 5.205 -3.928 9.776 1.00 0.00 C ATOM 1911 O LEU A 132 6.337 -4.337 9.530 1.00 0.00 O ATOM 1912 CB LEU A 132 3.258 -5.000 8.654 1.00 0.00 C ATOM 1913 CG LEU A 132 1.836 -4.714 8.147 1.00 0.00 C ATOM 1914 CD1 LEU A 132 1.811 -4.129 6.739 1.00 0.00 C ATOM 1915 CD2 LEU A 132 0.993 -5.984 8.160 1.00 0.00 C ATOM 0 H LEU A 132 4.897 -4.348 6.818 1.00 0.00 H new ATOM 0 HA LEU A 132 3.526 -2.902 8.894 1.00 0.00 H new ATOM 0 HB2 LEU A 132 3.716 -5.755 8.015 1.00 0.00 H new ATOM 0 HB3 LEU A 132 3.197 -5.425 9.656 1.00 0.00 H new ATOM 0 HG LEU A 132 1.421 -3.972 8.829 1.00 0.00 H new ATOM 0 HD11 LEU A 132 0.779 -3.949 6.438 1.00 0.00 H new ATOM 0 HD12 LEU A 132 2.362 -3.189 6.726 1.00 0.00 H new ATOM 0 HD13 LEU A 132 2.274 -4.831 6.045 1.00 0.00 H new ATOM 0 HD21 LEU A 132 -0.010 -5.759 7.797 1.00 0.00 H new ATOM 0 HD22 LEU A 132 1.453 -6.732 7.515 1.00 0.00 H new ATOM 0 HD23 LEU A 132 0.933 -6.370 9.177 1.00 0.00 H new ATOM 1927 N ASP A 133 4.739 -3.738 10.998 1.00 0.00 N ATOM 1928 CA ASP A 133 5.465 -4.009 12.231 1.00 0.00 C ATOM 1929 C ASP A 133 6.110 -5.400 12.235 1.00 0.00 C ATOM 1930 O ASP A 133 7.230 -5.543 12.723 1.00 0.00 O ATOM 1931 CB ASP A 133 4.506 -3.862 13.423 1.00 0.00 C ATOM 1932 CG ASP A 133 3.476 -4.994 13.470 1.00 0.00 C ATOM 1933 OD1 ASP A 133 2.633 -5.072 12.543 1.00 0.00 O ATOM 1934 OD2 ASP A 133 3.551 -5.820 14.398 1.00 0.00 O ATOM 0 H ASP A 133 3.801 -3.374 11.168 1.00 0.00 H new ATOM 0 HA ASP A 133 6.277 -3.286 12.310 1.00 0.00 H new ATOM 0 HB2 ASP A 133 5.078 -3.853 14.351 1.00 0.00 H new ATOM 0 HB3 ASP A 133 3.990 -2.904 13.358 1.00 0.00 H new ATOM 1939 N ASN A 134 5.459 -6.418 11.660 1.00 0.00 N ATOM 1940 CA ASN A 134 5.911 -7.807 11.715 1.00 0.00 C ATOM 1941 C ASN A 134 7.001 -8.048 10.681 1.00 0.00 C ATOM 1942 O ASN A 134 7.632 -9.103 10.724 1.00 0.00 O ATOM 1943 CB ASN A 134 4.785 -8.829 11.436 1.00 0.00 C ATOM 1944 CG ASN A 134 3.432 -8.444 12.005 1.00 0.00 C ATOM 1945 OD1 ASN A 134 2.683 -7.625 11.286 1.00 0.00 O flip ATOM 1946 ND2 ASN A 134 3.028 -8.916 13.058 1.00 0.00 N flip ATOM 0 H ASN A 134 4.592 -6.295 11.137 1.00 0.00 H new ATOM 0 HA ASN A 134 6.275 -7.955 12.732 1.00 0.00 H new ATOM 0 HB2 ASN A 134 4.688 -8.959 10.358 1.00 0.00 H new ATOM 0 HB3 ASN A 134 5.077 -9.795 11.849 1.00 0.00 H new ATOM 0 HD21 ASN A 134 3.623 -9.546 13.596 1.00 0.00 H new ATOM 0 HD22 ASN A 134 2.096 -8.680 13.398 1.00 0.00 H new ATOM 1953 N GLY A 135 7.172 -7.129 9.722 1.00 0.00 N ATOM 1954 CA GLY A 135 8.085 -7.272 8.606 1.00 0.00 C ATOM 1955 C GLY A 135 7.397 -7.474 7.256 1.00 0.00 C ATOM 1956 O GLY A 135 8.090 -7.673 6.251 1.00 0.00 O ATOM 0 H GLY A 135 6.661 -6.246 9.710 1.00 0.00 H new ATOM 0 HA2 GLY A 135 8.715 -6.385 8.551 1.00 0.00 H new ATOM 0 HA3 GLY A 135 8.744 -8.120 8.796 1.00 0.00 H new ATOM 1960 N ASP A 136 6.059 -7.487 7.205 1.00 0.00 N ATOM 1961 CA ASP A 136 5.318 -7.720 5.963 1.00 0.00 C ATOM 1962 C ASP A 136 5.610 -6.596 4.976 1.00 0.00 C ATOM 1963 O ASP A 136 5.940 -5.489 5.390 1.00 0.00 O ATOM 1964 CB ASP A 136 3.803 -7.845 6.173 1.00 0.00 C ATOM 1965 CG ASP A 136 3.404 -8.735 7.346 1.00 0.00 C ATOM 1966 OD1 ASP A 136 3.295 -8.227 8.485 1.00 0.00 O ATOM 1967 OD2 ASP A 136 3.134 -9.930 7.108 1.00 0.00 O ATOM 0 H ASP A 136 5.464 -7.337 8.020 1.00 0.00 H new ATOM 0 HA ASP A 136 5.658 -8.677 5.567 1.00 0.00 H new ATOM 0 HB2 ASP A 136 3.386 -6.850 6.329 1.00 0.00 H new ATOM 0 HB3 ASP A 136 3.353 -8.240 5.262 1.00 0.00 H new ATOM 1972 N THR A 137 5.503 -6.854 3.674 1.00 0.00 N ATOM 1973 CA THR A 137 6.012 -5.958 2.641 1.00 0.00 C ATOM 1974 C THR A 137 4.949 -5.743 1.570 1.00 0.00 C ATOM 1975 O THR A 137 4.692 -6.621 0.736 1.00 0.00 O ATOM 1976 CB THR A 137 7.315 -6.508 2.042 1.00 0.00 C ATOM 1977 OG1 THR A 137 8.158 -7.106 3.015 1.00 0.00 O ATOM 1978 CG2 THR A 137 8.082 -5.369 1.369 1.00 0.00 C ATOM 0 H THR A 137 5.058 -7.695 3.306 1.00 0.00 H new ATOM 0 HA THR A 137 6.242 -4.991 3.089 1.00 0.00 H new ATOM 0 HB THR A 137 7.036 -7.279 1.324 1.00 0.00 H new ATOM 0 HG1 THR A 137 8.971 -7.441 2.582 1.00 0.00 H new ATOM 0 HG21 THR A 137 9.008 -5.756 0.943 1.00 0.00 H new ATOM 0 HG22 THR A 137 7.470 -4.937 0.577 1.00 0.00 H new ATOM 0 HG23 THR A 137 8.315 -4.602 2.107 1.00 0.00 H new ATOM 1986 N LEU A 138 4.313 -4.574 1.588 1.00 0.00 N ATOM 1987 CA LEU A 138 3.272 -4.213 0.637 1.00 0.00 C ATOM 1988 C LEU A 138 3.846 -3.229 -0.363 1.00 0.00 C ATOM 1989 O LEU A 138 4.758 -2.481 -0.028 1.00 0.00 O ATOM 1990 CB LEU A 138 2.049 -3.662 1.387 1.00 0.00 C ATOM 1991 CG LEU A 138 1.049 -4.800 1.644 1.00 0.00 C ATOM 1992 CD1 LEU A 138 0.195 -5.048 0.430 1.00 0.00 C ATOM 1993 CD2 LEU A 138 1.638 -5.921 2.498 1.00 0.00 C ATOM 0 H LEU A 138 4.511 -3.844 2.273 1.00 0.00 H new ATOM 0 HA LEU A 138 2.929 -5.087 0.083 1.00 0.00 H new ATOM 0 HB2 LEU A 138 2.359 -3.216 2.332 1.00 0.00 H new ATOM 0 HB3 LEU A 138 1.576 -2.873 0.802 1.00 0.00 H new ATOM 0 HG LEU A 138 0.257 -4.533 2.344 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -0.505 -5.858 0.637 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -0.360 -4.143 0.185 1.00 0.00 H new ATOM 0 HD13 LEU A 138 0.830 -5.323 -0.412 1.00 0.00 H new ATOM 0 HD21 LEU A 138 0.888 -6.697 2.647 1.00 0.00 H new ATOM 0 HD22 LEU A 138 2.505 -6.347 1.992 1.00 0.00 H new ATOM 0 HD23 LEU A 138 1.943 -5.520 3.465 1.00 0.00 H new ATOM 2005 N THR A 139 3.306 -3.244 -1.577 1.00 0.00 N ATOM 2006 CA THR A 139 3.890 -2.573 -2.745 1.00 0.00 C ATOM 2007 C THR A 139 2.777 -1.963 -3.600 1.00 0.00 C ATOM 2008 O THR A 139 1.888 -2.694 -4.047 1.00 0.00 O ATOM 2009 CB THR A 139 4.711 -3.565 -3.600 1.00 0.00 C ATOM 2010 OG1 THR A 139 5.710 -4.243 -2.859 1.00 0.00 O ATOM 2011 CG2 THR A 139 5.430 -2.852 -4.757 1.00 0.00 C ATOM 0 H THR A 139 2.434 -3.730 -1.786 1.00 0.00 H new ATOM 0 HA THR A 139 4.557 -1.787 -2.390 1.00 0.00 H new ATOM 0 HB THR A 139 3.978 -4.281 -3.970 1.00 0.00 H new ATOM 0 HG1 THR A 139 6.195 -4.857 -3.449 1.00 0.00 H new ATOM 0 HG21 THR A 139 5.997 -3.580 -5.337 1.00 0.00 H new ATOM 0 HG22 THR A 139 4.694 -2.370 -5.401 1.00 0.00 H new ATOM 0 HG23 THR A 139 6.109 -2.100 -4.355 1.00 0.00 H new ATOM 2019 N PHE A 140 2.848 -0.654 -3.857 1.00 0.00 N ATOM 2020 CA PHE A 140 1.889 0.111 -4.642 1.00 0.00 C ATOM 2021 C PHE A 140 2.612 0.788 -5.812 1.00 0.00 C ATOM 2022 O PHE A 140 3.700 1.338 -5.623 1.00 0.00 O ATOM 2023 CB PHE A 140 1.226 1.205 -3.783 1.00 0.00 C ATOM 2024 CG PHE A 140 0.504 0.804 -2.503 1.00 0.00 C ATOM 2025 CD1 PHE A 140 1.211 0.283 -1.400 1.00 0.00 C ATOM 2026 CD2 PHE A 140 -0.881 1.034 -2.377 1.00 0.00 C ATOM 2027 CE1 PHE A 140 0.540 -0.055 -0.215 1.00 0.00 C ATOM 2028 CE2 PHE A 140 -1.543 0.729 -1.175 1.00 0.00 C ATOM 2029 CZ PHE A 140 -0.839 0.172 -0.096 1.00 0.00 C ATOM 0 H PHE A 140 3.612 -0.077 -3.505 1.00 0.00 H new ATOM 0 HA PHE A 140 1.124 -0.574 -5.006 1.00 0.00 H new ATOM 0 HB2 PHE A 140 1.999 1.925 -3.513 1.00 0.00 H new ATOM 0 HB3 PHE A 140 0.509 1.729 -4.415 1.00 0.00 H new ATOM 0 HD1 PHE A 140 2.280 0.143 -1.468 1.00 0.00 H new ATOM 0 HD2 PHE A 140 -1.436 1.446 -3.207 1.00 0.00 H new ATOM 0 HE1 PHE A 140 1.087 -0.491 0.608 1.00 0.00 H new ATOM 0 HE2 PHE A 140 -2.601 0.925 -1.081 1.00 0.00 H new ATOM 0 HZ PHE A 140 -1.355 -0.080 0.819 1.00 0.00 H new ATOM 2039 N ASP A 141 1.990 0.803 -6.992 1.00 0.00 N ATOM 2040 CA ASP A 141 2.390 1.600 -8.152 1.00 0.00 C ATOM 2041 C ASP A 141 1.840 3.015 -7.982 1.00 0.00 C ATOM 2042 O ASP A 141 0.742 3.175 -7.443 1.00 0.00 O ATOM 2043 CB ASP A 141 1.783 1.001 -9.443 1.00 0.00 C ATOM 2044 CG ASP A 141 2.791 0.821 -10.575 1.00 0.00 C ATOM 2045 OD1 ASP A 141 4.014 0.717 -10.333 1.00 0.00 O ATOM 2046 OD2 ASP A 141 2.338 0.766 -11.740 1.00 0.00 O ATOM 0 H ASP A 141 1.161 0.237 -7.173 1.00 0.00 H new ATOM 0 HA ASP A 141 3.477 1.606 -8.226 1.00 0.00 H new ATOM 0 HB2 ASP A 141 1.338 0.034 -9.209 1.00 0.00 H new ATOM 0 HB3 ASP A 141 0.976 1.648 -9.788 1.00 0.00 H new ATOM 2051 N ARG A 142 2.522 4.059 -8.463 1.00 0.00 N ATOM 2052 CA ARG A 142 1.920 5.383 -8.543 1.00 0.00 C ATOM 2053 C ARG A 142 0.985 5.444 -9.746 1.00 0.00 C ATOM 2054 O ARG A 142 1.445 5.731 -10.854 1.00 0.00 O ATOM 2055 CB ARG A 142 2.995 6.473 -8.651 1.00 0.00 C ATOM 2056 CG ARG A 142 2.342 7.865 -8.626 1.00 0.00 C ATOM 2057 CD ARG A 142 1.984 8.296 -7.202 1.00 0.00 C ATOM 2058 NE ARG A 142 2.880 9.337 -6.682 1.00 0.00 N ATOM 2059 CZ ARG A 142 3.063 10.561 -7.192 1.00 0.00 C ATOM 2060 NH1 ARG A 142 2.285 11.020 -8.161 1.00 0.00 N ATOM 2061 NH2 ARG A 142 4.036 11.317 -6.718 1.00 0.00 N ATOM 0 H ARG A 142 3.484 4.009 -8.799 1.00 0.00 H new ATOM 0 HA ARG A 142 1.352 5.563 -7.630 1.00 0.00 H new ATOM 0 HB2 ARG A 142 3.702 6.380 -7.827 1.00 0.00 H new ATOM 0 HB3 ARG A 142 3.562 6.345 -9.573 1.00 0.00 H new ATOM 0 HG2 ARG A 142 3.022 8.594 -9.067 1.00 0.00 H new ATOM 0 HG3 ARG A 142 1.442 7.856 -9.241 1.00 0.00 H new ATOM 0 HD2 ARG A 142 0.958 8.664 -7.185 1.00 0.00 H new ATOM 0 HD3 ARG A 142 2.022 7.428 -6.544 1.00 0.00 H new ATOM 0 HE ARG A 142 3.418 9.104 -5.847 1.00 0.00 H new ATOM 0 HH11 ARG A 142 1.533 10.438 -8.530 1.00 0.00 H new ATOM 0 HH12 ARG A 142 2.438 11.955 -8.538 1.00 0.00 H new ATOM 0 HH21 ARG A 142 4.637 10.966 -5.972 1.00 0.00 H new ATOM 0 HH22 ARG A 142 4.187 12.252 -7.098 1.00 0.00 H new ATOM 2075 N SER A 143 -0.322 5.329 -9.525 1.00 0.00 N ATOM 2076 CA SER A 143 -1.256 6.021 -10.383 1.00 0.00 C ATOM 2077 C SER A 143 -1.367 7.434 -9.816 1.00 0.00 C ATOM 2078 O SER A 143 -1.751 7.598 -8.655 1.00 0.00 O ATOM 2079 CB SER A 143 -2.585 5.271 -10.384 1.00 0.00 C ATOM 2080 OG SER A 143 -3.543 5.946 -11.172 1.00 0.00 O ATOM 0 H SER A 143 -0.742 4.777 -8.778 1.00 0.00 H new ATOM 0 HA SER A 143 -0.935 6.069 -11.424 1.00 0.00 H new ATOM 0 HB2 SER A 143 -2.438 4.262 -10.769 1.00 0.00 H new ATOM 0 HB3 SER A 143 -2.952 5.172 -9.363 1.00 0.00 H new ATOM 0 HG SER A 143 -4.386 5.447 -11.160 1.00 0.00 H new ATOM 2086 N THR A 144 -0.988 8.430 -10.612 1.00 0.00 N ATOM 2087 CA THR A 144 -1.476 9.804 -10.570 1.00 0.00 C ATOM 2088 C THR A 144 -1.668 10.242 -12.028 1.00 0.00 C ATOM 2089 O THR A 144 -0.926 11.081 -12.550 1.00 0.00 O ATOM 2090 CB THR A 144 -0.503 10.676 -9.759 1.00 0.00 C ATOM 2091 OG1 THR A 144 -0.432 10.165 -8.444 1.00 0.00 O ATOM 2092 CG2 THR A 144 -0.867 12.156 -9.624 1.00 0.00 C ATOM 0 H THR A 144 -0.292 8.291 -11.345 1.00 0.00 H new ATOM 0 HA THR A 144 -2.432 9.906 -10.057 1.00 0.00 H new ATOM 0 HB THR A 144 0.431 10.632 -10.319 1.00 0.00 H new ATOM 0 HG1 THR A 144 -0.982 9.356 -8.377 1.00 0.00 H new ATOM 0 HG21 THR A 144 -0.107 12.665 -9.032 1.00 0.00 H new ATOM 0 HG22 THR A 144 -0.920 12.609 -10.614 1.00 0.00 H new ATOM 0 HG23 THR A 144 -1.834 12.249 -9.130 1.00 0.00 H new ATOM 2100 N ARG A 145 -2.611 9.592 -12.718 1.00 0.00 N ATOM 2101 CA ARG A 145 -3.156 9.964 -14.018 1.00 0.00 C ATOM 2102 C ARG A 145 -4.571 9.413 -14.089 1.00 0.00 C ATOM 2103 O ARG A 145 -4.991 8.693 -13.152 1.00 0.00 O ATOM 2104 CB ARG A 145 -2.308 9.425 -15.190 1.00 0.00 C ATOM 2105 CG ARG A 145 -1.090 10.312 -15.481 1.00 0.00 C ATOM 2106 CD ARG A 145 -0.544 10.070 -16.885 1.00 0.00 C ATOM 2107 NE ARG A 145 0.790 10.674 -17.039 1.00 0.00 N ATOM 2108 CZ ARG A 145 1.959 10.037 -17.168 1.00 0.00 C ATOM 2109 NH1 ARG A 145 2.037 8.714 -17.061 1.00 0.00 N ATOM 2110 NH2 ARG A 145 3.044 10.742 -17.451 1.00 0.00 N ATOM 0 H ARG A 145 -3.038 8.739 -12.356 1.00 0.00 H new ATOM 0 HA ARG A 145 -3.147 11.050 -14.114 1.00 0.00 H new ATOM 0 HB2 ARG A 145 -1.972 8.414 -14.958 1.00 0.00 H new ATOM 0 HB3 ARG A 145 -2.928 9.358 -16.084 1.00 0.00 H new ATOM 0 HG2 ARG A 145 -1.368 11.360 -15.374 1.00 0.00 H new ATOM 0 HG3 ARG A 145 -0.310 10.112 -14.747 1.00 0.00 H new ATOM 0 HD2 ARG A 145 -0.488 8.999 -17.078 1.00 0.00 H new ATOM 0 HD3 ARG A 145 -1.226 10.492 -17.623 1.00 0.00 H new ATOM 0 HE ARG A 145 0.827 11.693 -17.048 1.00 0.00 H new ATOM 0 HH11 ARG A 145 1.196 8.167 -16.877 1.00 0.00 H new ATOM 0 HH12 ARG A 145 2.938 8.246 -17.163 1.00 0.00 H new ATOM 0 HH21 ARG A 145 2.979 11.753 -17.567 1.00 0.00 H new ATOM 0 HH22 ARG A 145 3.944 10.274 -17.553 1.00 0.00 H new TER 2124 ARG A 145