USER MOD reduce.3.24.130724 H: found=0, std=0, add=541, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 544 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 109 MET CE :methyl 140:sc= -0.177 (180deg=-0.561) USER MOD Set 1.2: A 124 MET CE :methyl -154:sc= -0.0606 (180deg=-0.701) USER MOD Single : A 86 LYS NZ :NH3+ 177:sc= -2.7! (180deg=-2.7) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 GLN : amide:sc= -0.239 K(o=-0.24,f=-0.98) USER MOD Single : A 97 ASN : amide:sc= -2.71 K(o=-2.7,f=-12!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0.123 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 107 HIS : no HD1:sc= -0.0053 X(o=-0.0053,f=0) USER MOD Single : A 111 ASN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 115 LYS NZ :NH3+ 161:sc= -0.0489 (180deg=-0.508) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 GLN : amide:sc= -1.56! K(o=-1.6!,f=0) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 135 GLN : amide:sc= -0.579 X(o=-0.58,f=-0.31) USER MOD Single : A 137 ASN : amide:sc= -0.392 K(o=-0.39,f=-4.7!) USER MOD Single : A 138 TYR OH : rot -140:sc= -0.556 USER MOD Single : A 143 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 144 MET CE :methyl -108:sc=-0.00575 (180deg=-0.187) USER MOD Single : A 145 MET CE :methyl 159:sc= -0.454 (180deg=-1.98) USER MOD Single : A 146 MET CE :methyl -168:sc= -0.165 (180deg=-0.541) USER MOD Single : A 147 THR OG1 : rot 180:sc= 0.00458 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 80 -17.628 -7.569 6.516 1.00 0.00 N ATOM 2 CA ASP A 80 -18.046 -7.231 5.123 1.00 0.00 C ATOM 3 C ASP A 80 -16.832 -6.762 4.327 1.00 0.00 C ATOM 4 O ASP A 80 -15.754 -6.561 4.884 1.00 0.00 O ATOM 5 CB ASP A 80 -19.103 -6.126 5.168 1.00 0.00 C ATOM 6 CG ASP A 80 -20.409 -6.679 5.730 1.00 0.00 C ATOM 7 OD1 ASP A 80 -20.481 -7.880 5.937 1.00 0.00 O ATOM 8 OD2 ASP A 80 -21.314 -5.893 5.955 1.00 0.00 O ATOM 0 HA ASP A 80 -18.468 -8.112 4.640 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -18.752 -5.300 5.786 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -19.268 -5.727 4.167 1.00 0.00 H new ATOM 15 N ALA A 81 -17.009 -6.592 3.020 1.00 0.00 N ATOM 16 CA ALA A 81 -15.906 -6.151 2.178 1.00 0.00 C ATOM 17 C ALA A 81 -15.294 -4.880 2.752 1.00 0.00 C ATOM 18 O ALA A 81 -14.075 -4.780 2.891 1.00 0.00 O ATOM 19 CB ALA A 81 -16.400 -5.891 0.752 1.00 0.00 C ATOM 0 H ALA A 81 -17.889 -6.750 2.530 1.00 0.00 H new ATOM 0 HA ALA A 81 -15.149 -6.934 2.151 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -15.566 -5.562 0.132 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -16.819 -6.809 0.339 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -17.167 -5.117 0.768 1.00 0.00 H new ATOM 25 N GLU A 82 -16.136 -3.909 3.090 1.00 0.00 N ATOM 26 CA GLU A 82 -15.649 -2.661 3.644 1.00 0.00 C ATOM 27 C GLU A 82 -14.962 -2.909 4.985 1.00 0.00 C ATOM 28 O GLU A 82 -14.022 -2.204 5.347 1.00 0.00 O ATOM 29 CB GLU A 82 -16.808 -1.681 3.822 1.00 0.00 C ATOM 30 CG GLU A 82 -16.248 -0.308 4.170 1.00 0.00 C ATOM 31 CD GLU A 82 -15.546 0.296 2.955 1.00 0.00 C ATOM 32 OE1 GLU A 82 -15.664 -0.274 1.884 1.00 0.00 O ATOM 33 OE2 GLU A 82 -14.903 1.321 3.115 1.00 0.00 O ATOM 0 H GLU A 82 -17.149 -3.965 2.989 1.00 0.00 H new ATOM 0 HA GLU A 82 -14.923 -2.231 2.954 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -17.398 -1.626 2.907 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -17.475 -2.027 4.612 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -17.053 0.349 4.498 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -15.547 -0.392 5.000 1.00 0.00 H new ATOM 40 N GLU A 83 -15.417 -3.924 5.704 1.00 0.00 N ATOM 41 CA GLU A 83 -14.804 -4.251 6.984 1.00 0.00 C ATOM 42 C GLU A 83 -13.379 -4.736 6.743 1.00 0.00 C ATOM 43 O GLU A 83 -12.413 -4.061 7.100 1.00 0.00 O ATOM 44 CB GLU A 83 -15.612 -5.321 7.713 1.00 0.00 C ATOM 45 CG GLU A 83 -15.200 -5.356 9.188 1.00 0.00 C ATOM 46 CD GLU A 83 -13.832 -6.015 9.329 1.00 0.00 C ATOM 47 OE1 GLU A 83 -13.545 -6.911 8.552 1.00 0.00 O ATOM 48 OE2 GLU A 83 -13.092 -5.615 10.212 1.00 0.00 O ATOM 0 H GLU A 83 -16.194 -4.526 5.431 1.00 0.00 H new ATOM 0 HA GLU A 83 -14.787 -3.360 7.611 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -16.678 -5.109 7.627 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -15.443 -6.295 7.254 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -15.169 -4.343 9.590 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -15.940 -5.907 9.768 1.00 0.00 H new ATOM 55 N GLU A 84 -13.251 -5.914 6.143 1.00 0.00 N ATOM 56 CA GLU A 84 -11.933 -6.473 5.870 1.00 0.00 C ATOM 57 C GLU A 84 -11.012 -5.407 5.277 1.00 0.00 C ATOM 58 O GLU A 84 -9.858 -5.284 5.686 1.00 0.00 O ATOM 59 CB GLU A 84 -12.051 -7.652 4.899 1.00 0.00 C ATOM 60 CG GLU A 84 -12.811 -8.794 5.576 1.00 0.00 C ATOM 61 CD GLU A 84 -12.991 -9.955 4.605 1.00 0.00 C ATOM 62 OE1 GLU A 84 -12.516 -9.845 3.487 1.00 0.00 O ATOM 63 OE2 GLU A 84 -13.598 -10.940 4.994 1.00 0.00 O ATOM 0 H GLU A 84 -14.033 -6.494 5.840 1.00 0.00 H new ATOM 0 HA GLU A 84 -11.506 -6.824 6.810 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -12.572 -7.341 3.993 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -11.059 -7.989 4.597 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -12.267 -9.130 6.459 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -13.784 -8.441 5.917 1.00 0.00 H new ATOM 70 N LEU A 85 -11.516 -4.635 4.317 1.00 0.00 N ATOM 71 CA LEU A 85 -10.698 -3.593 3.702 1.00 0.00 C ATOM 72 C LEU A 85 -10.278 -2.561 4.744 1.00 0.00 C ATOM 73 O LEU A 85 -9.115 -2.165 4.796 1.00 0.00 O ATOM 74 CB LEU A 85 -11.480 -2.909 2.577 1.00 0.00 C ATOM 75 CG LEU A 85 -11.653 -3.882 1.400 1.00 0.00 C ATOM 76 CD1 LEU A 85 -12.684 -3.309 0.421 1.00 0.00 C ATOM 77 CD2 LEU A 85 -10.309 -4.101 0.675 1.00 0.00 C ATOM 0 H LEU A 85 -12.466 -4.708 3.954 1.00 0.00 H new ATOM 0 HA LEU A 85 -9.802 -4.054 3.286 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -12.456 -2.588 2.942 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -10.953 -2.014 2.247 1.00 0.00 H new ATOM 0 HG LEU A 85 -11.999 -4.843 1.781 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -12.811 -3.995 -0.416 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -13.638 -3.179 0.932 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -12.337 -2.344 0.050 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -10.452 -4.793 -0.155 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -9.942 -3.148 0.294 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -9.583 -4.517 1.373 1.00 0.00 H new ATOM 89 N LYS A 86 -11.217 -2.139 5.580 1.00 0.00 N ATOM 90 CA LYS A 86 -10.899 -1.165 6.613 1.00 0.00 C ATOM 91 C LYS A 86 -9.894 -1.743 7.597 1.00 0.00 C ATOM 92 O LYS A 86 -8.955 -1.063 8.000 1.00 0.00 O ATOM 93 CB LYS A 86 -12.172 -0.748 7.353 1.00 0.00 C ATOM 94 CG LYS A 86 -13.020 0.164 6.442 1.00 0.00 C ATOM 95 CD LYS A 86 -12.559 1.633 6.590 1.00 0.00 C ATOM 96 CE LYS A 86 -13.386 2.322 7.679 1.00 0.00 C ATOM 97 NZ LYS A 86 -13.587 1.381 8.822 1.00 0.00 N ATOM 0 H LYS A 86 -12.188 -2.450 5.564 1.00 0.00 H new ATOM 0 HA LYS A 86 -10.459 -0.288 6.138 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -12.745 -1.630 7.638 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -11.915 -0.224 8.273 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -12.923 -0.154 5.404 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -14.074 0.076 6.705 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -11.500 1.669 6.846 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -12.676 2.159 5.642 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -12.877 3.223 8.021 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -14.350 2.633 7.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -14.105 1.865 9.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -14.134 0.557 8.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -12.662 1.066 9.179 1.00 0.00 H new ATOM 111 N GLU A 87 -10.088 -2.997 7.976 1.00 0.00 N ATOM 112 CA GLU A 87 -9.175 -3.634 8.910 1.00 0.00 C ATOM 113 C GLU A 87 -7.790 -3.768 8.285 1.00 0.00 C ATOM 114 O GLU A 87 -6.796 -3.311 8.850 1.00 0.00 O ATOM 115 CB GLU A 87 -9.704 -5.019 9.295 1.00 0.00 C ATOM 116 CG GLU A 87 -8.941 -5.545 10.515 1.00 0.00 C ATOM 117 CD GLU A 87 -7.529 -5.953 10.109 1.00 0.00 C ATOM 118 OE1 GLU A 87 -7.356 -6.380 8.979 1.00 0.00 O ATOM 119 OE2 GLU A 87 -6.639 -5.828 10.934 1.00 0.00 O ATOM 0 H GLU A 87 -10.857 -3.586 7.657 1.00 0.00 H new ATOM 0 HA GLU A 87 -9.102 -3.016 9.805 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -10.770 -4.962 9.518 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -9.589 -5.708 8.458 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -8.899 -4.777 11.287 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -9.467 -6.399 10.943 1.00 0.00 H new ATOM 126 N ALA A 88 -7.727 -4.396 7.119 1.00 0.00 N ATOM 127 CA ALA A 88 -6.449 -4.574 6.445 1.00 0.00 C ATOM 128 C ALA A 88 -5.733 -3.230 6.337 1.00 0.00 C ATOM 129 O ALA A 88 -4.538 -3.132 6.606 1.00 0.00 O ATOM 130 CB ALA A 88 -6.667 -5.166 5.051 1.00 0.00 C ATOM 0 H ALA A 88 -8.531 -4.785 6.627 1.00 0.00 H new ATOM 0 HA ALA A 88 -5.833 -5.262 7.024 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -5.705 -5.295 4.556 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -7.162 -6.133 5.140 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -7.290 -4.492 4.463 1.00 0.00 H new ATOM 136 N PHE A 89 -6.472 -2.197 5.951 1.00 0.00 N ATOM 137 CA PHE A 89 -5.886 -0.867 5.824 1.00 0.00 C ATOM 138 C PHE A 89 -5.241 -0.449 7.141 1.00 0.00 C ATOM 139 O PHE A 89 -4.105 0.027 7.162 1.00 0.00 O ATOM 140 CB PHE A 89 -6.966 0.146 5.436 1.00 0.00 C ATOM 141 CG PHE A 89 -6.330 1.501 5.232 1.00 0.00 C ATOM 142 CD1 PHE A 89 -6.088 2.336 6.331 1.00 0.00 C ATOM 143 CD2 PHE A 89 -5.981 1.924 3.944 1.00 0.00 C ATOM 144 CE1 PHE A 89 -5.496 3.589 6.140 1.00 0.00 C ATOM 145 CE2 PHE A 89 -5.391 3.177 3.755 1.00 0.00 C ATOM 146 CZ PHE A 89 -5.149 4.009 4.851 1.00 0.00 C ATOM 0 H PHE A 89 -7.465 -2.251 5.723 1.00 0.00 H new ATOM 0 HA PHE A 89 -5.123 -0.894 5.046 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -7.469 -0.173 4.523 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -7.725 0.202 6.216 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -6.358 2.012 7.325 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -6.168 1.282 3.096 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -5.307 4.232 6.987 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -5.122 3.502 2.761 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.694 4.977 4.703 1.00 0.00 H new ATOM 156 N LYS A 90 -5.955 -0.650 8.240 1.00 0.00 N ATOM 157 CA LYS A 90 -5.426 -0.302 9.552 1.00 0.00 C ATOM 158 C LYS A 90 -4.122 -1.048 9.826 1.00 0.00 C ATOM 159 O LYS A 90 -3.230 -0.523 10.493 1.00 0.00 O ATOM 160 CB LYS A 90 -6.451 -0.630 10.644 1.00 0.00 C ATOM 161 CG LYS A 90 -7.607 0.373 10.587 1.00 0.00 C ATOM 162 CD LYS A 90 -8.640 0.021 11.658 1.00 0.00 C ATOM 163 CE LYS A 90 -9.807 1.007 11.591 1.00 0.00 C ATOM 164 NZ LYS A 90 -10.819 0.652 12.626 1.00 0.00 N ATOM 0 H LYS A 90 -6.894 -1.049 8.250 1.00 0.00 H new ATOM 0 HA LYS A 90 -5.224 0.769 9.562 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -6.829 -1.643 10.508 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -5.976 -0.596 11.624 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -7.233 1.385 10.746 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -8.070 0.355 9.600 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -9.002 -0.996 11.508 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -8.180 0.053 12.646 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -9.448 2.023 11.752 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -10.261 0.983 10.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -11.612 1.323 12.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -11.170 -0.312 12.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -10.382 0.697 13.569 1.00 0.00 H new ATOM 178 N VAL A 91 -4.006 -2.266 9.305 1.00 0.00 N ATOM 179 CA VAL A 91 -2.786 -3.046 9.502 1.00 0.00 C ATOM 180 C VAL A 91 -1.615 -2.430 8.733 1.00 0.00 C ATOM 181 O VAL A 91 -0.527 -2.258 9.279 1.00 0.00 O ATOM 182 CB VAL A 91 -3.006 -4.493 9.060 1.00 0.00 C ATOM 183 CG1 VAL A 91 -1.707 -5.284 9.225 1.00 0.00 C ATOM 184 CG2 VAL A 91 -4.099 -5.122 9.927 1.00 0.00 C ATOM 0 H VAL A 91 -4.728 -2.729 8.752 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.541 -3.034 10.564 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.309 -4.513 8.013 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.866 -6.315 8.909 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -0.926 -4.833 8.612 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -1.402 -5.268 10.271 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.261 -6.154 9.617 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.791 -5.101 10.972 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -5.025 -4.559 9.810 1.00 0.00 H new ATOM 194 N PHE A 92 -1.844 -2.095 7.467 1.00 0.00 N ATOM 195 CA PHE A 92 -0.790 -1.491 6.651 1.00 0.00 C ATOM 196 C PHE A 92 -0.413 -0.128 7.200 1.00 0.00 C ATOM 197 O PHE A 92 0.749 0.273 7.135 1.00 0.00 O ATOM 198 CB PHE A 92 -1.238 -1.343 5.192 1.00 0.00 C ATOM 199 CG PHE A 92 -1.937 -2.602 4.730 1.00 0.00 C ATOM 200 CD1 PHE A 92 -1.452 -3.863 5.103 1.00 0.00 C ATOM 201 CD2 PHE A 92 -3.082 -2.506 3.933 1.00 0.00 C ATOM 202 CE1 PHE A 92 -2.103 -5.016 4.679 1.00 0.00 C ATOM 203 CE2 PHE A 92 -3.736 -3.666 3.509 1.00 0.00 C ATOM 204 CZ PHE A 92 -3.245 -4.923 3.883 1.00 0.00 C ATOM 0 H PHE A 92 -2.734 -2.228 6.987 1.00 0.00 H new ATOM 0 HA PHE A 92 0.076 -2.151 6.687 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -1.909 -0.489 5.095 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -0.375 -1.144 4.557 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -0.570 -3.939 5.722 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -3.461 -1.536 3.645 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -1.724 -5.986 4.966 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -4.620 -3.593 2.893 1.00 0.00 H new ATOM 0 HZ PHE A 92 -3.750 -5.820 3.556 1.00 0.00 H new ATOM 214 N ASP A 93 -1.394 0.584 7.730 1.00 0.00 N ATOM 215 CA ASP A 93 -1.140 1.911 8.272 1.00 0.00 C ATOM 216 C ASP A 93 -0.381 1.812 9.594 1.00 0.00 C ATOM 217 O ASP A 93 -0.883 2.226 10.638 1.00 0.00 O ATOM 218 CB ASP A 93 -2.465 2.643 8.496 1.00 0.00 C ATOM 219 CG ASP A 93 -2.212 4.133 8.708 1.00 0.00 C ATOM 220 OD1 ASP A 93 -1.065 4.542 8.597 1.00 0.00 O ATOM 221 OD2 ASP A 93 -3.168 4.843 8.974 1.00 0.00 O ATOM 0 H ASP A 93 -2.363 0.272 7.797 1.00 0.00 H new ATOM 0 HA ASP A 93 -0.533 2.467 7.558 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -3.120 2.496 7.637 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -2.978 2.226 9.363 1.00 0.00 H new ATOM 226 N LYS A 94 0.828 1.253 9.551 1.00 0.00 N ATOM 227 CA LYS A 94 1.617 1.103 10.768 1.00 0.00 C ATOM 228 C LYS A 94 1.688 2.432 11.516 1.00 0.00 C ATOM 229 O LYS A 94 1.492 2.479 12.730 1.00 0.00 O ATOM 230 CB LYS A 94 3.033 0.625 10.423 1.00 0.00 C ATOM 231 CG LYS A 94 3.809 0.328 11.709 1.00 0.00 C ATOM 232 CD LYS A 94 5.192 -0.225 11.353 1.00 0.00 C ATOM 233 CE LYS A 94 5.965 -0.537 12.635 1.00 0.00 C ATOM 234 NZ LYS A 94 7.301 -1.101 12.285 1.00 0.00 N ATOM 0 H LYS A 94 1.274 0.903 8.703 1.00 0.00 H new ATOM 0 HA LYS A 94 1.137 0.361 11.406 1.00 0.00 H new ATOM 0 HB2 LYS A 94 2.983 -0.270 9.803 1.00 0.00 H new ATOM 0 HB3 LYS A 94 3.552 1.387 9.842 1.00 0.00 H new ATOM 0 HG2 LYS A 94 3.910 1.236 12.303 1.00 0.00 H new ATOM 0 HG3 LYS A 94 3.263 -0.392 12.318 1.00 0.00 H new ATOM 0 HD2 LYS A 94 5.090 -1.127 10.749 1.00 0.00 H new ATOM 0 HD3 LYS A 94 5.741 0.500 10.752 1.00 0.00 H new ATOM 0 HE2 LYS A 94 6.085 0.369 13.230 1.00 0.00 H new ATOM 0 HE3 LYS A 94 5.407 -1.247 13.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 7.827 -1.313 13.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 7.176 -1.974 11.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 7.833 -0.409 11.720 1.00 0.00 H new ATOM 248 N ASP A 95 1.970 3.509 10.793 1.00 0.00 N ATOM 249 CA ASP A 95 2.064 4.826 11.412 1.00 0.00 C ATOM 250 C ASP A 95 0.685 5.301 11.849 1.00 0.00 C ATOM 251 O ASP A 95 0.547 6.350 12.474 1.00 0.00 O ATOM 252 CB ASP A 95 2.654 5.833 10.422 1.00 0.00 C ATOM 253 CG ASP A 95 3.804 5.198 9.651 1.00 0.00 C ATOM 254 OD1 ASP A 95 4.750 4.762 10.286 1.00 0.00 O ATOM 255 OD2 ASP A 95 3.715 5.155 8.433 1.00 0.00 O ATOM 0 H ASP A 95 2.136 3.498 9.787 1.00 0.00 H new ATOM 0 HA ASP A 95 2.714 4.752 12.284 1.00 0.00 H new ATOM 0 HB2 ASP A 95 1.882 6.168 9.729 1.00 0.00 H new ATOM 0 HB3 ASP A 95 3.007 6.715 10.956 1.00 0.00 H new ATOM 260 N GLN A 96 -0.335 4.529 11.503 1.00 0.00 N ATOM 261 CA GLN A 96 -1.699 4.893 11.860 1.00 0.00 C ATOM 262 C GLN A 96 -1.976 6.349 11.477 1.00 0.00 C ATOM 263 O GLN A 96 -2.816 7.012 12.084 1.00 0.00 O ATOM 264 CB GLN A 96 -1.910 4.715 13.375 1.00 0.00 C ATOM 265 CG GLN A 96 -3.404 4.564 13.688 1.00 0.00 C ATOM 266 CD GLN A 96 -3.914 3.229 13.159 1.00 0.00 C ATOM 267 OE1 GLN A 96 -3.226 2.215 13.266 1.00 0.00 O ATOM 268 NE2 GLN A 96 -5.088 3.168 12.592 1.00 0.00 N ATOM 0 H GLN A 96 -0.247 3.657 10.982 1.00 0.00 H new ATOM 0 HA GLN A 96 -2.386 4.243 11.318 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -1.367 3.837 13.724 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -1.504 5.574 13.909 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -3.567 4.624 14.764 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -3.964 5.382 13.235 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -5.657 4.010 12.505 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -5.437 2.278 12.236 1.00 0.00 H new ATOM 277 N ASN A 97 -1.257 6.852 10.481 1.00 0.00 N ATOM 278 CA ASN A 97 -1.438 8.238 10.054 1.00 0.00 C ATOM 279 C ASN A 97 -2.650 8.379 9.138 1.00 0.00 C ATOM 280 O ASN A 97 -2.937 9.470 8.644 1.00 0.00 O ATOM 281 CB ASN A 97 -0.191 8.726 9.320 1.00 0.00 C ATOM 282 CG ASN A 97 0.108 7.799 8.150 1.00 0.00 C ATOM 283 OD1 ASN A 97 -0.613 6.824 7.930 1.00 0.00 O ATOM 284 ND2 ASN A 97 1.134 8.038 7.383 1.00 0.00 N ATOM 0 H ASN A 97 -0.552 6.331 9.959 1.00 0.00 H new ATOM 0 HA ASN A 97 -1.603 8.844 10.945 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -0.343 9.744 8.961 1.00 0.00 H new ATOM 0 HB3 ASN A 97 0.658 8.752 10.003 1.00 0.00 H new ATOM 0 HD21 ASN A 97 1.341 7.418 6.600 1.00 0.00 H new ATOM 0 HD22 ASN A 97 1.730 8.845 7.566 1.00 0.00 H new ATOM 291 N GLY A 98 -3.365 7.280 8.917 1.00 0.00 N ATOM 292 CA GLY A 98 -4.549 7.312 8.061 1.00 0.00 C ATOM 293 C GLY A 98 -4.173 7.150 6.590 1.00 0.00 C ATOM 294 O GLY A 98 -5.045 7.042 5.730 1.00 0.00 O ATOM 0 H GLY A 98 -3.150 6.365 9.313 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -5.234 6.516 8.354 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -5.077 8.255 8.202 1.00 0.00 H new ATOM 298 N TYR A 99 -2.871 7.142 6.305 1.00 0.00 N ATOM 299 CA TYR A 99 -2.385 6.994 4.928 1.00 0.00 C ATOM 300 C TYR A 99 -1.285 5.937 4.867 1.00 0.00 C ATOM 301 O TYR A 99 -0.399 5.920 5.718 1.00 0.00 O ATOM 302 CB TYR A 99 -1.824 8.328 4.434 1.00 0.00 C ATOM 303 CG TYR A 99 -2.963 9.285 4.186 1.00 0.00 C ATOM 304 CD1 TYR A 99 -3.530 9.991 5.251 1.00 0.00 C ATOM 305 CD2 TYR A 99 -3.457 9.459 2.890 1.00 0.00 C ATOM 306 CE1 TYR A 99 -4.590 10.873 5.020 1.00 0.00 C ATOM 307 CE2 TYR A 99 -4.516 10.341 2.657 1.00 0.00 C ATOM 308 CZ TYR A 99 -5.085 11.049 3.722 1.00 0.00 C ATOM 309 OH TYR A 99 -6.133 11.920 3.495 1.00 0.00 O ATOM 0 H TYR A 99 -2.134 7.236 7.004 1.00 0.00 H new ATOM 0 HA TYR A 99 -3.217 6.685 4.295 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -1.139 8.744 5.173 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -1.253 8.179 3.518 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -3.149 9.855 6.252 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -3.020 8.911 2.068 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -5.027 11.419 5.843 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -4.895 10.476 1.655 1.00 0.00 H new ATOM 0 HH TYR A 99 -6.353 11.925 2.540 1.00 0.00 H new ATOM 319 N ILE A 100 -1.323 5.064 3.859 1.00 0.00 N ATOM 320 CA ILE A 100 -0.286 4.040 3.738 1.00 0.00 C ATOM 321 C ILE A 100 0.933 4.651 3.047 1.00 0.00 C ATOM 322 O ILE A 100 0.825 5.196 1.944 1.00 0.00 O ATOM 323 CB ILE A 100 -0.785 2.839 2.928 1.00 0.00 C ATOM 324 CG1 ILE A 100 -2.173 2.407 3.422 1.00 0.00 C ATOM 325 CG2 ILE A 100 0.200 1.681 3.094 1.00 0.00 C ATOM 326 CD1 ILE A 100 -2.671 1.231 2.580 1.00 0.00 C ATOM 0 H ILE A 100 -2.040 5.044 3.133 1.00 0.00 H new ATOM 0 HA ILE A 100 -0.022 3.689 4.736 1.00 0.00 H new ATOM 0 HB ILE A 100 -0.857 3.118 1.877 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -2.124 2.121 4.473 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -2.872 3.241 3.351 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -0.148 0.822 2.520 1.00 0.00 H new ATOM 0 HG22 ILE A 100 1.183 1.984 2.733 1.00 0.00 H new ATOM 0 HG23 ILE A 100 0.269 1.410 4.148 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -3.656 0.924 2.931 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -2.736 1.533 1.535 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -1.976 0.396 2.674 1.00 0.00 H new ATOM 338 N SER A 101 2.087 4.573 3.711 1.00 0.00 N ATOM 339 CA SER A 101 3.322 5.138 3.158 1.00 0.00 C ATOM 340 C SER A 101 4.047 4.110 2.297 1.00 0.00 C ATOM 341 O SER A 101 3.880 2.908 2.488 1.00 0.00 O ATOM 342 CB SER A 101 4.240 5.595 4.297 1.00 0.00 C ATOM 343 OG SER A 101 4.999 4.486 4.759 1.00 0.00 O ATOM 0 H SER A 101 2.194 4.129 4.623 1.00 0.00 H new ATOM 0 HA SER A 101 3.061 5.993 2.534 1.00 0.00 H new ATOM 0 HB2 SER A 101 4.904 6.386 3.949 1.00 0.00 H new ATOM 0 HB3 SER A 101 3.648 6.011 5.112 1.00 0.00 H new ATOM 0 HG SER A 101 5.589 4.774 5.487 1.00 0.00 H new ATOM 349 N ALA A 102 4.856 4.581 1.352 1.00 0.00 N ATOM 350 CA ALA A 102 5.590 3.666 0.487 1.00 0.00 C ATOM 351 C ALA A 102 6.388 2.676 1.333 1.00 0.00 C ATOM 352 O ALA A 102 6.417 1.481 1.039 1.00 0.00 O ATOM 353 CB ALA A 102 6.531 4.444 -0.436 1.00 0.00 C ATOM 0 H ALA A 102 5.018 5.571 1.168 1.00 0.00 H new ATOM 0 HA ALA A 102 4.876 3.116 -0.126 1.00 0.00 H new ATOM 0 HB1 ALA A 102 7.072 3.747 -1.076 1.00 0.00 H new ATOM 0 HB2 ALA A 102 5.950 5.128 -1.055 1.00 0.00 H new ATOM 0 HB3 ALA A 102 7.242 5.012 0.164 1.00 0.00 H new ATOM 359 N SER A 103 7.028 3.175 2.387 1.00 0.00 N ATOM 360 CA SER A 103 7.813 2.309 3.263 1.00 0.00 C ATOM 361 C SER A 103 6.931 1.216 3.867 1.00 0.00 C ATOM 362 O SER A 103 7.341 0.054 3.940 1.00 0.00 O ATOM 363 CB SER A 103 8.457 3.132 4.379 1.00 0.00 C ATOM 364 OG SER A 103 9.295 4.129 3.806 1.00 0.00 O ATOM 0 H SER A 103 7.020 4.160 2.653 1.00 0.00 H new ATOM 0 HA SER A 103 8.597 1.838 2.669 1.00 0.00 H new ATOM 0 HB2 SER A 103 7.687 3.598 4.994 1.00 0.00 H new ATOM 0 HB3 SER A 103 9.039 2.484 5.034 1.00 0.00 H new ATOM 0 HG SER A 103 9.708 4.659 4.520 1.00 0.00 H new ATOM 370 N GLU A 104 5.715 1.575 4.288 1.00 0.00 N ATOM 371 CA GLU A 104 4.815 0.600 4.856 1.00 0.00 C ATOM 372 C GLU A 104 4.424 -0.440 3.807 1.00 0.00 C ATOM 373 O GLU A 104 4.307 -1.624 4.119 1.00 0.00 O ATOM 374 CB GLU A 104 3.573 1.307 5.397 1.00 0.00 C ATOM 375 CG GLU A 104 3.911 2.043 6.692 1.00 0.00 C ATOM 376 CD GLU A 104 2.629 2.594 7.303 1.00 0.00 C ATOM 377 OE1 GLU A 104 1.613 2.560 6.629 1.00 0.00 O ATOM 378 OE2 GLU A 104 2.679 3.064 8.425 1.00 0.00 O ATOM 0 H GLU A 104 5.346 2.525 4.242 1.00 0.00 H new ATOM 0 HA GLU A 104 5.317 0.084 5.675 1.00 0.00 H new ATOM 0 HB2 GLU A 104 3.195 2.012 4.657 1.00 0.00 H new ATOM 0 HB3 GLU A 104 2.781 0.580 5.579 1.00 0.00 H new ATOM 0 HG2 GLU A 104 4.400 1.366 7.392 1.00 0.00 H new ATOM 0 HG3 GLU A 104 4.611 2.854 6.491 1.00 0.00 H new ATOM 385 N LEU A 105 4.236 -0.002 2.565 1.00 0.00 N ATOM 386 CA LEU A 105 3.875 -0.924 1.485 1.00 0.00 C ATOM 387 C LEU A 105 4.987 -1.948 1.274 1.00 0.00 C ATOM 388 O LEU A 105 4.723 -3.135 1.084 1.00 0.00 O ATOM 389 CB LEU A 105 3.615 -0.140 0.186 1.00 0.00 C ATOM 390 CG LEU A 105 3.398 -1.104 -0.998 1.00 0.00 C ATOM 391 CD1 LEU A 105 2.276 -2.101 -0.674 1.00 0.00 C ATOM 392 CD2 LEU A 105 3.011 -0.298 -2.252 1.00 0.00 C ATOM 0 H LEU A 105 4.326 0.973 2.280 1.00 0.00 H new ATOM 0 HA LEU A 105 2.963 -1.453 1.762 1.00 0.00 H new ATOM 0 HB2 LEU A 105 2.739 0.496 0.309 1.00 0.00 H new ATOM 0 HB3 LEU A 105 4.459 0.517 -0.023 1.00 0.00 H new ATOM 0 HG LEU A 105 4.322 -1.653 -1.179 1.00 0.00 H new ATOM 0 HD11 LEU A 105 2.133 -2.775 -1.518 1.00 0.00 H new ATOM 0 HD12 LEU A 105 2.546 -2.678 0.210 1.00 0.00 H new ATOM 0 HD13 LEU A 105 1.350 -1.558 -0.483 1.00 0.00 H new ATOM 0 HD21 LEU A 105 2.858 -0.979 -3.089 1.00 0.00 H new ATOM 0 HD22 LEU A 105 2.091 0.254 -2.060 1.00 0.00 H new ATOM 0 HD23 LEU A 105 3.810 0.402 -2.496 1.00 0.00 H new ATOM 404 N ARG A 106 6.231 -1.482 1.307 1.00 0.00 N ATOM 405 CA ARG A 106 7.363 -2.379 1.108 1.00 0.00 C ATOM 406 C ARG A 106 7.382 -3.443 2.203 1.00 0.00 C ATOM 407 O ARG A 106 7.549 -4.628 1.922 1.00 0.00 O ATOM 408 CB ARG A 106 8.666 -1.580 1.116 1.00 0.00 C ATOM 409 CG ARG A 106 8.700 -0.684 -0.124 1.00 0.00 C ATOM 410 CD ARG A 106 9.956 0.186 -0.101 1.00 0.00 C ATOM 411 NE ARG A 106 9.963 1.073 -1.262 1.00 0.00 N ATOM 412 CZ ARG A 106 10.427 0.656 -2.433 1.00 0.00 C ATOM 413 NH1 ARG A 106 10.862 -0.567 -2.554 1.00 0.00 N ATOM 414 NH2 ARG A 106 10.441 1.463 -3.459 1.00 0.00 N ATOM 0 H ARG A 106 6.479 -0.506 1.467 1.00 0.00 H new ATOM 0 HA ARG A 106 7.264 -2.875 0.142 1.00 0.00 H new ATOM 0 HB2 ARG A 106 8.733 -0.976 2.021 1.00 0.00 H new ATOM 0 HB3 ARG A 106 9.523 -2.254 1.119 1.00 0.00 H new ATOM 0 HG2 ARG A 106 8.687 -1.296 -1.026 1.00 0.00 H new ATOM 0 HG3 ARG A 106 7.811 -0.054 -0.153 1.00 0.00 H new ATOM 0 HD2 ARG A 106 9.987 0.773 0.817 1.00 0.00 H new ATOM 0 HD3 ARG A 106 10.846 -0.443 -0.107 1.00 0.00 H new ATOM 0 HE ARG A 106 9.607 2.024 -1.171 1.00 0.00 H new ATOM 0 HH11 ARG A 106 10.844 -1.196 -1.752 1.00 0.00 H new ATOM 0 HH12 ARG A 106 11.220 -0.895 -3.451 1.00 0.00 H new ATOM 0 HH21 ARG A 106 10.095 2.417 -3.362 1.00 0.00 H new ATOM 0 HH22 ARG A 106 10.798 1.139 -4.358 1.00 0.00 H new ATOM 428 N HIS A 107 7.200 -3.018 3.449 1.00 0.00 N ATOM 429 CA HIS A 107 7.189 -3.964 4.560 1.00 0.00 C ATOM 430 C HIS A 107 6.103 -5.007 4.337 1.00 0.00 C ATOM 431 O HIS A 107 6.322 -6.200 4.555 1.00 0.00 O ATOM 432 CB HIS A 107 6.950 -3.228 5.881 1.00 0.00 C ATOM 433 CG HIS A 107 7.016 -4.208 7.020 1.00 0.00 C ATOM 434 ND1 HIS A 107 6.161 -4.134 8.108 1.00 0.00 N ATOM 435 CD2 HIS A 107 7.829 -5.290 7.253 1.00 0.00 C ATOM 436 CE1 HIS A 107 6.474 -5.145 8.939 1.00 0.00 C ATOM 437 NE2 HIS A 107 7.484 -5.881 8.465 1.00 0.00 N ATOM 0 H HIS A 107 7.060 -2.043 3.713 1.00 0.00 H new ATOM 0 HA HIS A 107 8.157 -4.462 4.611 1.00 0.00 H new ATOM 0 HB2 HIS A 107 7.699 -2.447 6.015 1.00 0.00 H new ATOM 0 HB3 HIS A 107 5.977 -2.737 5.865 1.00 0.00 H new ATOM 0 HD2 HIS A 107 8.616 -5.630 6.596 1.00 0.00 H new ATOM 0 HE1 HIS A 107 5.971 -5.338 9.875 1.00 0.00 H new ATOM 0 HE2 HIS A 107 7.910 -6.700 8.898 1.00 0.00 H new ATOM 446 N VAL A 108 4.935 -4.558 3.892 1.00 0.00 N ATOM 447 CA VAL A 108 3.836 -5.477 3.633 1.00 0.00 C ATOM 448 C VAL A 108 4.225 -6.461 2.531 1.00 0.00 C ATOM 449 O VAL A 108 4.023 -7.664 2.668 1.00 0.00 O ATOM 450 CB VAL A 108 2.584 -4.696 3.219 1.00 0.00 C ATOM 451 CG1 VAL A 108 1.477 -5.675 2.816 1.00 0.00 C ATOM 452 CG2 VAL A 108 2.105 -3.846 4.400 1.00 0.00 C ATOM 0 H VAL A 108 4.727 -3.577 3.705 1.00 0.00 H new ATOM 0 HA VAL A 108 3.620 -6.034 4.545 1.00 0.00 H new ATOM 0 HB VAL A 108 2.821 -4.051 2.373 1.00 0.00 H new ATOM 0 HG11 VAL A 108 0.588 -5.118 2.522 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.817 -6.284 1.978 1.00 0.00 H new ATOM 0 HG13 VAL A 108 1.238 -6.321 3.661 1.00 0.00 H new ATOM 0 HG21 VAL A 108 1.214 -3.289 4.110 1.00 0.00 H new ATOM 0 HG22 VAL A 108 1.868 -4.495 5.243 1.00 0.00 H new ATOM 0 HG23 VAL A 108 2.891 -3.149 4.689 1.00 0.00 H new ATOM 462 N MET A 109 4.795 -5.948 1.446 1.00 0.00 N ATOM 463 CA MET A 109 5.198 -6.810 0.342 1.00 0.00 C ATOM 464 C MET A 109 6.194 -7.857 0.833 1.00 0.00 C ATOM 465 O MET A 109 6.102 -9.028 0.467 1.00 0.00 O ATOM 466 CB MET A 109 5.830 -5.969 -0.774 1.00 0.00 C ATOM 467 CG MET A 109 4.733 -5.259 -1.569 1.00 0.00 C ATOM 468 SD MET A 109 5.487 -4.208 -2.835 1.00 0.00 S ATOM 469 CE MET A 109 3.981 -3.894 -3.790 1.00 0.00 C ATOM 0 H MET A 109 4.986 -4.956 1.308 1.00 0.00 H new ATOM 0 HA MET A 109 4.317 -7.317 -0.051 1.00 0.00 H new ATOM 0 HB2 MET A 109 6.515 -5.237 -0.347 1.00 0.00 H new ATOM 0 HB3 MET A 109 6.417 -6.607 -1.435 1.00 0.00 H new ATOM 0 HG2 MET A 109 4.075 -5.992 -2.035 1.00 0.00 H new ATOM 0 HG3 MET A 109 4.117 -4.657 -0.901 1.00 0.00 H new ATOM 0 HE1 MET A 109 3.967 -2.854 -4.116 1.00 0.00 H new ATOM 0 HE2 MET A 109 3.960 -4.548 -4.662 1.00 0.00 H new ATOM 0 HE3 MET A 109 3.108 -4.091 -3.168 1.00 0.00 H new ATOM 479 N ILE A 110 7.131 -7.441 1.677 1.00 0.00 N ATOM 480 CA ILE A 110 8.112 -8.376 2.216 1.00 0.00 C ATOM 481 C ILE A 110 7.414 -9.416 3.091 1.00 0.00 C ATOM 482 O ILE A 110 7.709 -10.608 3.010 1.00 0.00 O ATOM 483 CB ILE A 110 9.163 -7.624 3.035 1.00 0.00 C ATOM 484 CG1 ILE A 110 9.989 -6.738 2.101 1.00 0.00 C ATOM 485 CG2 ILE A 110 10.090 -8.630 3.725 1.00 0.00 C ATOM 486 CD1 ILE A 110 10.842 -5.780 2.932 1.00 0.00 C ATOM 0 H ILE A 110 7.232 -6.479 1.999 1.00 0.00 H new ATOM 0 HA ILE A 110 8.608 -8.883 1.388 1.00 0.00 H new ATOM 0 HB ILE A 110 8.668 -7.009 3.787 1.00 0.00 H new ATOM 0 HG12 ILE A 110 10.627 -7.354 1.467 1.00 0.00 H new ATOM 0 HG13 ILE A 110 9.331 -6.175 1.439 1.00 0.00 H new ATOM 0 HG21 ILE A 110 10.839 -8.094 4.308 1.00 0.00 H new ATOM 0 HG22 ILE A 110 9.505 -9.270 4.386 1.00 0.00 H new ATOM 0 HG23 ILE A 110 10.587 -9.243 2.973 1.00 0.00 H new ATOM 0 HD11 ILE A 110 11.431 -5.148 2.268 1.00 0.00 H new ATOM 0 HD12 ILE A 110 10.194 -5.155 3.547 1.00 0.00 H new ATOM 0 HD13 ILE A 110 11.510 -6.353 3.575 1.00 0.00 H new ATOM 498 N ASN A 111 6.483 -8.959 3.922 1.00 0.00 N ATOM 499 CA ASN A 111 5.751 -9.866 4.797 1.00 0.00 C ATOM 500 C ASN A 111 4.980 -10.887 3.969 1.00 0.00 C ATOM 501 O ASN A 111 4.855 -12.049 4.358 1.00 0.00 O ATOM 502 CB ASN A 111 4.784 -9.082 5.690 1.00 0.00 C ATOM 503 CG ASN A 111 3.895 -10.044 6.475 1.00 0.00 C ATOM 504 OD1 ASN A 111 2.729 -10.235 6.129 1.00 0.00 O ATOM 505 ND2 ASN A 111 4.376 -10.667 7.518 1.00 0.00 N ATOM 0 H ASN A 111 6.220 -7.977 4.008 1.00 0.00 H new ATOM 0 HA ASN A 111 6.467 -10.390 5.430 1.00 0.00 H new ATOM 0 HB2 ASN A 111 5.345 -8.449 6.378 1.00 0.00 H new ATOM 0 HB3 ASN A 111 4.168 -8.422 5.080 1.00 0.00 H new ATOM 0 HD21 ASN A 111 3.786 -11.311 8.045 1.00 0.00 H new ATOM 0 HD22 ASN A 111 5.342 -10.510 7.806 1.00 0.00 H new ATOM 512 N LEU A 112 4.476 -10.453 2.823 1.00 0.00 N ATOM 513 CA LEU A 112 3.729 -11.347 1.946 1.00 0.00 C ATOM 514 C LEU A 112 4.667 -12.282 1.187 1.00 0.00 C ATOM 515 O LEU A 112 4.217 -13.149 0.440 1.00 0.00 O ATOM 516 CB LEU A 112 2.891 -10.531 0.945 1.00 0.00 C ATOM 517 CG LEU A 112 1.475 -10.291 1.489 1.00 0.00 C ATOM 518 CD1 LEU A 112 1.537 -9.416 2.740 1.00 0.00 C ATOM 519 CD2 LEU A 112 0.635 -9.590 0.420 1.00 0.00 C ATOM 0 H LEU A 112 4.568 -9.497 2.480 1.00 0.00 H new ATOM 0 HA LEU A 112 3.067 -11.950 2.567 1.00 0.00 H new ATOM 0 HB2 LEU A 112 3.378 -9.575 0.750 1.00 0.00 H new ATOM 0 HB3 LEU A 112 2.835 -11.060 -0.006 1.00 0.00 H new ATOM 0 HG LEU A 112 1.022 -11.249 1.746 1.00 0.00 H new ATOM 0 HD11 LEU A 112 0.528 -9.251 3.119 1.00 0.00 H new ATOM 0 HD12 LEU A 112 2.134 -9.914 3.503 1.00 0.00 H new ATOM 0 HD13 LEU A 112 1.993 -8.457 2.491 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -0.371 -9.418 0.803 1.00 0.00 H new ATOM 0 HD22 LEU A 112 1.094 -8.635 0.165 1.00 0.00 H new ATOM 0 HD23 LEU A 112 0.582 -10.217 -0.470 1.00 0.00 H new ATOM 531 N GLY A 113 5.959 -12.101 1.378 1.00 0.00 N ATOM 532 CA GLY A 113 6.937 -12.944 0.699 1.00 0.00 C ATOM 533 C GLY A 113 7.159 -12.475 -0.734 1.00 0.00 C ATOM 534 O GLY A 113 7.713 -13.204 -1.556 1.00 0.00 O ATOM 0 H GLY A 113 6.358 -11.388 1.989 1.00 0.00 H new ATOM 0 HA2 GLY A 113 7.881 -12.923 1.243 1.00 0.00 H new ATOM 0 HA3 GLY A 113 6.593 -13.978 0.698 1.00 0.00 H new ATOM 538 N GLU A 114 6.726 -11.250 -1.029 1.00 0.00 N ATOM 539 CA GLU A 114 6.884 -10.675 -2.369 1.00 0.00 C ATOM 540 C GLU A 114 7.861 -9.505 -2.311 1.00 0.00 C ATOM 541 O GLU A 114 7.742 -8.636 -1.448 1.00 0.00 O ATOM 542 CB GLU A 114 5.532 -10.177 -2.889 1.00 0.00 C ATOM 543 CG GLU A 114 4.600 -11.364 -3.143 1.00 0.00 C ATOM 544 CD GLU A 114 3.226 -10.859 -3.574 1.00 0.00 C ATOM 545 OE1 GLU A 114 3.054 -9.653 -3.632 1.00 0.00 O ATOM 546 OE2 GLU A 114 2.369 -11.685 -3.842 1.00 0.00 O ATOM 0 H GLU A 114 6.263 -10.635 -0.360 1.00 0.00 H new ATOM 0 HA GLU A 114 7.268 -11.443 -3.041 1.00 0.00 H new ATOM 0 HB2 GLU A 114 5.082 -9.499 -2.164 1.00 0.00 H new ATOM 0 HB3 GLU A 114 5.673 -9.611 -3.810 1.00 0.00 H new ATOM 0 HG2 GLU A 114 5.019 -12.009 -3.915 1.00 0.00 H new ATOM 0 HG3 GLU A 114 4.509 -11.967 -2.239 1.00 0.00 H new ATOM 553 N LYS A 115 8.829 -9.480 -3.229 1.00 0.00 N ATOM 554 CA LYS A 115 9.826 -8.402 -3.264 1.00 0.00 C ATOM 555 C LYS A 115 9.948 -7.833 -4.677 1.00 0.00 C ATOM 556 O LYS A 115 10.496 -8.474 -5.569 1.00 0.00 O ATOM 557 CB LYS A 115 11.191 -8.942 -2.812 1.00 0.00 C ATOM 558 CG LYS A 115 11.393 -10.352 -3.374 1.00 0.00 C ATOM 559 CD LYS A 115 12.776 -10.867 -2.983 1.00 0.00 C ATOM 560 CE LYS A 115 12.942 -12.299 -3.492 1.00 0.00 C ATOM 561 NZ LYS A 115 12.880 -12.308 -4.981 1.00 0.00 N ATOM 0 H LYS A 115 8.946 -10.187 -3.955 1.00 0.00 H new ATOM 0 HA LYS A 115 9.504 -7.609 -2.589 1.00 0.00 H new ATOM 0 HB2 LYS A 115 11.987 -8.283 -3.158 1.00 0.00 H new ATOM 0 HB3 LYS A 115 11.244 -8.962 -1.723 1.00 0.00 H new ATOM 0 HG2 LYS A 115 10.623 -11.021 -2.990 1.00 0.00 H new ATOM 0 HG3 LYS A 115 11.292 -10.340 -4.459 1.00 0.00 H new ATOM 0 HD2 LYS A 115 13.549 -10.226 -3.407 1.00 0.00 H new ATOM 0 HD3 LYS A 115 12.895 -10.837 -1.900 1.00 0.00 H new ATOM 0 HE2 LYS A 115 13.894 -12.708 -3.155 1.00 0.00 H new ATOM 0 HE3 LYS A 115 12.158 -12.935 -3.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 13.302 -13.188 -5.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 11.888 -12.249 -5.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 13.407 -11.493 -5.355 1.00 0.00 H new ATOM 575 N LEU A 116 9.434 -6.625 -4.879 1.00 0.00 N ATOM 576 CA LEU A 116 9.492 -5.978 -6.192 1.00 0.00 C ATOM 577 C LEU A 116 10.606 -4.950 -6.207 1.00 0.00 C ATOM 578 O LEU A 116 11.025 -4.475 -5.155 1.00 0.00 O ATOM 579 CB LEU A 116 8.151 -5.296 -6.509 1.00 0.00 C ATOM 580 CG LEU A 116 6.988 -6.282 -6.270 1.00 0.00 C ATOM 581 CD1 LEU A 116 7.275 -7.615 -6.986 1.00 0.00 C ATOM 582 CD2 LEU A 116 6.799 -6.533 -4.752 1.00 0.00 C ATOM 0 H LEU A 116 8.973 -6.073 -4.156 1.00 0.00 H new ATOM 0 HA LEU A 116 9.689 -6.736 -6.950 1.00 0.00 H new ATOM 0 HB2 LEU A 116 8.025 -4.413 -5.882 1.00 0.00 H new ATOM 0 HB3 LEU A 116 8.143 -4.955 -7.544 1.00 0.00 H new ATOM 0 HG LEU A 116 6.073 -5.847 -6.672 1.00 0.00 H new ATOM 0 HD11 LEU A 116 6.450 -8.306 -6.813 1.00 0.00 H new ATOM 0 HD12 LEU A 116 7.381 -7.438 -8.056 1.00 0.00 H new ATOM 0 HD13 LEU A 116 8.197 -8.046 -6.596 1.00 0.00 H new ATOM 0 HD21 LEU A 116 5.975 -7.230 -4.598 1.00 0.00 H new ATOM 0 HD22 LEU A 116 7.714 -6.955 -4.336 1.00 0.00 H new ATOM 0 HD23 LEU A 116 6.574 -5.591 -4.253 1.00 0.00 H new ATOM 594 N THR A 117 11.099 -4.611 -7.394 1.00 0.00 N ATOM 595 CA THR A 117 12.173 -3.637 -7.489 1.00 0.00 C ATOM 596 C THR A 117 11.670 -2.279 -7.008 1.00 0.00 C ATOM 597 O THR A 117 10.464 -2.044 -6.961 1.00 0.00 O ATOM 598 CB THR A 117 12.657 -3.528 -8.937 1.00 0.00 C ATOM 599 OG1 THR A 117 12.858 -4.830 -9.471 1.00 0.00 O ATOM 600 CG2 THR A 117 13.974 -2.754 -8.977 1.00 0.00 C ATOM 0 H THR A 117 10.778 -4.989 -8.285 1.00 0.00 H new ATOM 0 HA THR A 117 13.006 -3.959 -6.863 1.00 0.00 H new ATOM 0 HB THR A 117 11.908 -3.004 -9.530 1.00 0.00 H new ATOM 0 HG1 THR A 117 13.166 -4.759 -10.399 1.00 0.00 H new ATOM 0 HG21 THR A 117 14.319 -2.676 -10.008 1.00 0.00 H new ATOM 0 HG22 THR A 117 13.821 -1.755 -8.569 1.00 0.00 H new ATOM 0 HG23 THR A 117 14.722 -3.278 -8.383 1.00 0.00 H new ATOM 608 N ASP A 118 12.585 -1.386 -6.647 1.00 0.00 N ATOM 609 CA ASP A 118 12.185 -0.067 -6.167 1.00 0.00 C ATOM 610 C ASP A 118 11.411 0.678 -7.249 1.00 0.00 C ATOM 611 O ASP A 118 10.434 1.366 -6.960 1.00 0.00 O ATOM 612 CB ASP A 118 13.414 0.745 -5.752 1.00 0.00 C ATOM 613 CG ASP A 118 13.978 0.199 -4.443 1.00 0.00 C ATOM 614 OD1 ASP A 118 13.327 -0.639 -3.842 1.00 0.00 O ATOM 615 OD2 ASP A 118 15.054 0.628 -4.060 1.00 0.00 O ATOM 0 H ASP A 118 13.592 -1.546 -6.676 1.00 0.00 H new ATOM 0 HA ASP A 118 11.540 -0.198 -5.298 1.00 0.00 H new ATOM 0 HB2 ASP A 118 14.173 0.698 -6.533 1.00 0.00 H new ATOM 0 HB3 ASP A 118 13.144 1.794 -5.633 1.00 0.00 H new ATOM 620 N GLU A 119 11.844 0.534 -8.494 1.00 0.00 N ATOM 621 CA GLU A 119 11.168 1.202 -9.599 1.00 0.00 C ATOM 622 C GLU A 119 9.724 0.721 -9.710 1.00 0.00 C ATOM 623 O GLU A 119 8.836 1.486 -10.086 1.00 0.00 O ATOM 624 CB GLU A 119 11.904 0.928 -10.914 1.00 0.00 C ATOM 625 CG GLU A 119 13.270 1.617 -10.879 1.00 0.00 C ATOM 626 CD GLU A 119 14.057 1.286 -12.142 1.00 0.00 C ATOM 627 OE1 GLU A 119 13.545 0.534 -12.957 1.00 0.00 O ATOM 628 OE2 GLU A 119 15.160 1.788 -12.278 1.00 0.00 O ATOM 0 H GLU A 119 12.649 -0.031 -8.763 1.00 0.00 H new ATOM 0 HA GLU A 119 11.170 2.274 -9.404 1.00 0.00 H new ATOM 0 HB2 GLU A 119 12.028 -0.145 -11.058 1.00 0.00 H new ATOM 0 HB3 GLU A 119 11.319 1.297 -11.756 1.00 0.00 H new ATOM 0 HG2 GLU A 119 13.140 2.696 -10.795 1.00 0.00 H new ATOM 0 HG3 GLU A 119 13.827 1.294 -9.999 1.00 0.00 H new ATOM 635 N GLU A 120 9.481 -0.538 -9.366 1.00 0.00 N ATOM 636 CA GLU A 120 8.127 -1.073 -9.423 1.00 0.00 C ATOM 637 C GLU A 120 7.278 -0.497 -8.294 1.00 0.00 C ATOM 638 O GLU A 120 6.169 -0.014 -8.523 1.00 0.00 O ATOM 639 CB GLU A 120 8.162 -2.600 -9.320 1.00 0.00 C ATOM 640 CG GLU A 120 8.867 -3.178 -10.552 1.00 0.00 C ATOM 641 CD GLU A 120 8.028 -2.924 -11.801 1.00 0.00 C ATOM 642 OE1 GLU A 120 6.845 -2.662 -11.653 1.00 0.00 O ATOM 643 OE2 GLU A 120 8.581 -2.993 -12.886 1.00 0.00 O ATOM 0 H GLU A 120 10.191 -1.198 -9.050 1.00 0.00 H new ATOM 0 HA GLU A 120 7.681 -0.788 -10.376 1.00 0.00 H new ATOM 0 HB2 GLU A 120 8.685 -2.902 -8.413 1.00 0.00 H new ATOM 0 HB3 GLU A 120 7.148 -2.994 -9.249 1.00 0.00 H new ATOM 0 HG2 GLU A 120 9.850 -2.722 -10.666 1.00 0.00 H new ATOM 0 HG3 GLU A 120 9.025 -4.249 -10.422 1.00 0.00 H new ATOM 650 N VAL A 121 7.811 -0.536 -7.075 1.00 0.00 N ATOM 651 CA VAL A 121 7.082 -0.004 -5.929 1.00 0.00 C ATOM 652 C VAL A 121 6.839 1.492 -6.116 1.00 0.00 C ATOM 653 O VAL A 121 5.722 1.969 -5.930 1.00 0.00 O ATOM 654 CB VAL A 121 7.870 -0.249 -4.639 1.00 0.00 C ATOM 655 CG1 VAL A 121 7.150 0.412 -3.459 1.00 0.00 C ATOM 656 CG2 VAL A 121 7.977 -1.754 -4.386 1.00 0.00 C ATOM 0 H VAL A 121 8.729 -0.924 -6.858 1.00 0.00 H new ATOM 0 HA VAL A 121 6.122 -0.515 -5.855 1.00 0.00 H new ATOM 0 HB VAL A 121 8.867 0.179 -4.741 1.00 0.00 H new ATOM 0 HG11 VAL A 121 7.714 0.235 -2.543 1.00 0.00 H new ATOM 0 HG12 VAL A 121 7.071 1.485 -3.635 1.00 0.00 H new ATOM 0 HG13 VAL A 121 6.151 -0.013 -3.358 1.00 0.00 H new ATOM 0 HG21 VAL A 121 8.538 -1.930 -3.468 1.00 0.00 H new ATOM 0 HG22 VAL A 121 6.978 -2.178 -4.288 1.00 0.00 H new ATOM 0 HG23 VAL A 121 8.492 -2.228 -5.222 1.00 0.00 H new ATOM 666 N GLU A 122 7.878 2.226 -6.498 1.00 0.00 N ATOM 667 CA GLU A 122 7.738 3.659 -6.710 1.00 0.00 C ATOM 668 C GLU A 122 6.676 3.941 -7.767 1.00 0.00 C ATOM 669 O GLU A 122 5.894 4.881 -7.637 1.00 0.00 O ATOM 670 CB GLU A 122 9.078 4.258 -7.150 1.00 0.00 C ATOM 671 CG GLU A 122 10.067 4.225 -5.983 1.00 0.00 C ATOM 672 CD GLU A 122 9.629 5.208 -4.901 1.00 0.00 C ATOM 673 OE1 GLU A 122 8.723 5.982 -5.164 1.00 0.00 O ATOM 674 OE2 GLU A 122 10.212 5.179 -3.830 1.00 0.00 O ATOM 0 H GLU A 122 8.814 1.857 -6.665 1.00 0.00 H new ATOM 0 HA GLU A 122 7.430 4.119 -5.771 1.00 0.00 H new ATOM 0 HB2 GLU A 122 9.478 3.697 -7.994 1.00 0.00 H new ATOM 0 HB3 GLU A 122 8.935 5.284 -7.489 1.00 0.00 H new ATOM 0 HG2 GLU A 122 10.122 3.218 -5.570 1.00 0.00 H new ATOM 0 HG3 GLU A 122 11.067 4.480 -6.335 1.00 0.00 H new ATOM 681 N GLN A 123 6.634 3.110 -8.800 1.00 0.00 N ATOM 682 CA GLN A 123 5.640 3.282 -9.853 1.00 0.00 C ATOM 683 C GLN A 123 4.241 2.955 -9.333 1.00 0.00 C ATOM 684 O GLN A 123 3.272 3.627 -9.683 1.00 0.00 O ATOM 685 CB GLN A 123 5.979 2.390 -11.052 1.00 0.00 C ATOM 686 CG GLN A 123 7.098 3.035 -11.877 1.00 0.00 C ATOM 687 CD GLN A 123 7.566 2.072 -12.961 1.00 0.00 C ATOM 688 OE1 GLN A 123 8.285 2.471 -13.877 1.00 0.00 O ATOM 689 NE2 GLN A 123 7.204 0.819 -12.911 1.00 0.00 N ATOM 0 H GLN A 123 7.266 2.321 -8.932 1.00 0.00 H new ATOM 0 HA GLN A 123 5.655 4.324 -10.172 1.00 0.00 H new ATOM 0 HB2 GLN A 123 6.291 1.404 -10.707 1.00 0.00 H new ATOM 0 HB3 GLN A 123 5.094 2.246 -11.672 1.00 0.00 H new ATOM 0 HG2 GLN A 123 6.741 3.960 -12.330 1.00 0.00 H new ATOM 0 HG3 GLN A 123 7.933 3.300 -11.229 1.00 0.00 H new ATOM 0 HE21 GLN A 123 6.608 0.490 -12.151 1.00 0.00 H new ATOM 0 HE22 GLN A 123 7.517 0.169 -13.632 1.00 0.00 H new ATOM 698 N MET A 124 4.136 1.918 -8.508 1.00 0.00 N ATOM 699 CA MET A 124 2.849 1.528 -7.969 1.00 0.00 C ATOM 700 C MET A 124 2.258 2.658 -7.133 1.00 0.00 C ATOM 701 O MET A 124 1.076 2.976 -7.254 1.00 0.00 O ATOM 702 CB MET A 124 3.019 0.273 -7.108 1.00 0.00 C ATOM 703 CG MET A 124 1.649 -0.234 -6.673 1.00 0.00 C ATOM 704 SD MET A 124 1.846 -1.662 -5.575 1.00 0.00 S ATOM 705 CE MET A 124 2.399 -2.853 -6.823 1.00 0.00 C ATOM 0 H MET A 124 4.921 1.341 -8.204 1.00 0.00 H new ATOM 0 HA MET A 124 2.167 1.315 -8.792 1.00 0.00 H new ATOM 0 HB2 MET A 124 3.542 -0.499 -7.671 1.00 0.00 H new ATOM 0 HB3 MET A 124 3.630 0.499 -6.234 1.00 0.00 H new ATOM 0 HG2 MET A 124 1.103 0.558 -6.161 1.00 0.00 H new ATOM 0 HG3 MET A 124 1.060 -0.513 -7.546 1.00 0.00 H new ATOM 0 HE1 MET A 124 2.145 -3.863 -6.500 1.00 0.00 H new ATOM 0 HE2 MET A 124 1.906 -2.641 -7.772 1.00 0.00 H new ATOM 0 HE3 MET A 124 3.479 -2.773 -6.949 1.00 0.00 H new ATOM 715 N ILE A 125 3.084 3.273 -6.293 1.00 0.00 N ATOM 716 CA ILE A 125 2.609 4.368 -5.455 1.00 0.00 C ATOM 717 C ILE A 125 2.151 5.526 -6.334 1.00 0.00 C ATOM 718 O ILE A 125 1.063 6.073 -6.145 1.00 0.00 O ATOM 719 CB ILE A 125 3.745 4.838 -4.535 1.00 0.00 C ATOM 720 CG1 ILE A 125 4.155 3.695 -3.582 1.00 0.00 C ATOM 721 CG2 ILE A 125 3.291 6.059 -3.726 1.00 0.00 C ATOM 722 CD1 ILE A 125 2.971 3.230 -2.725 1.00 0.00 C ATOM 0 H ILE A 125 4.069 3.037 -6.175 1.00 0.00 H new ATOM 0 HA ILE A 125 1.771 4.023 -4.850 1.00 0.00 H new ATOM 0 HB ILE A 125 4.605 5.117 -5.144 1.00 0.00 H new ATOM 0 HG12 ILE A 125 4.538 2.855 -4.162 1.00 0.00 H new ATOM 0 HG13 ILE A 125 4.965 4.032 -2.935 1.00 0.00 H new ATOM 0 HG21 ILE A 125 4.102 6.387 -3.076 1.00 0.00 H new ATOM 0 HG22 ILE A 125 3.023 6.867 -4.407 1.00 0.00 H new ATOM 0 HG23 ILE A 125 2.425 5.792 -3.120 1.00 0.00 H new ATOM 0 HD11 ILE A 125 3.294 2.425 -2.065 1.00 0.00 H new ATOM 0 HD12 ILE A 125 2.605 4.064 -2.127 1.00 0.00 H new ATOM 0 HD13 ILE A 125 2.172 2.870 -3.373 1.00 0.00 H new ATOM 734 N LYS A 126 2.978 5.877 -7.306 1.00 0.00 N ATOM 735 CA LYS A 126 2.642 6.957 -8.225 1.00 0.00 C ATOM 736 C LYS A 126 1.430 6.593 -9.072 1.00 0.00 C ATOM 737 O LYS A 126 0.527 7.406 -9.264 1.00 0.00 O ATOM 738 CB LYS A 126 3.827 7.260 -9.125 1.00 0.00 C ATOM 739 CG LYS A 126 4.949 7.884 -8.293 1.00 0.00 C ATOM 740 CD LYS A 126 6.068 8.369 -9.218 1.00 0.00 C ATOM 741 CE LYS A 126 6.790 7.169 -9.836 1.00 0.00 C ATOM 742 NZ LYS A 126 8.075 7.618 -10.435 1.00 0.00 N ATOM 0 H LYS A 126 3.881 5.435 -7.480 1.00 0.00 H new ATOM 0 HA LYS A 126 2.398 7.842 -7.637 1.00 0.00 H new ATOM 0 HB2 LYS A 126 4.179 6.345 -9.602 1.00 0.00 H new ATOM 0 HB3 LYS A 126 3.528 7.941 -9.922 1.00 0.00 H new ATOM 0 HG2 LYS A 126 4.561 8.718 -7.708 1.00 0.00 H new ATOM 0 HG3 LYS A 126 5.340 7.153 -7.585 1.00 0.00 H new ATOM 0 HD2 LYS A 126 5.654 9.000 -10.005 1.00 0.00 H new ATOM 0 HD3 LYS A 126 6.775 8.981 -8.658 1.00 0.00 H new ATOM 0 HE2 LYS A 126 6.976 6.412 -9.075 1.00 0.00 H new ATOM 0 HE3 LYS A 126 6.163 6.707 -10.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 8.566 6.803 -10.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 7.885 8.326 -11.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 8.674 8.040 -9.696 1.00 0.00 H new ATOM 756 N GLU A 127 1.414 5.365 -9.572 1.00 0.00 N ATOM 757 CA GLU A 127 0.305 4.903 -10.398 1.00 0.00 C ATOM 758 C GLU A 127 -0.969 4.796 -9.574 1.00 0.00 C ATOM 759 O GLU A 127 -2.062 5.083 -10.062 1.00 0.00 O ATOM 760 CB GLU A 127 0.636 3.538 -10.982 1.00 0.00 C ATOM 761 CG GLU A 127 -0.387 3.177 -12.063 1.00 0.00 C ATOM 762 CD GLU A 127 -0.164 4.039 -13.301 1.00 0.00 C ATOM 763 OE1 GLU A 127 0.818 4.763 -13.326 1.00 0.00 O ATOM 764 OE2 GLU A 127 -0.979 3.963 -14.207 1.00 0.00 O ATOM 0 H GLU A 127 2.150 4.675 -9.422 1.00 0.00 H new ATOM 0 HA GLU A 127 0.149 5.624 -11.200 1.00 0.00 H new ATOM 0 HB2 GLU A 127 1.640 3.547 -11.406 1.00 0.00 H new ATOM 0 HB3 GLU A 127 0.629 2.784 -10.195 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -0.297 2.122 -12.323 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -1.398 3.326 -11.683 1.00 0.00 H new ATOM 771 N ALA A 128 -0.824 4.371 -8.330 1.00 0.00 N ATOM 772 CA ALA A 128 -1.982 4.221 -7.453 1.00 0.00 C ATOM 773 C ALA A 128 -2.466 5.572 -6.944 1.00 0.00 C ATOM 774 O ALA A 128 -3.643 5.745 -6.655 1.00 0.00 O ATOM 775 CB ALA A 128 -1.639 3.331 -6.259 1.00 0.00 C ATOM 0 H ALA A 128 0.070 4.126 -7.905 1.00 0.00 H new ATOM 0 HA ALA A 128 -2.777 3.758 -8.038 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -2.514 3.231 -5.617 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -1.335 2.346 -6.615 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -0.823 3.780 -5.693 1.00 0.00 H new ATOM 781 N ASP A 129 -1.557 6.525 -6.825 1.00 0.00 N ATOM 782 CA ASP A 129 -1.912 7.846 -6.332 1.00 0.00 C ATOM 783 C ASP A 129 -2.606 8.668 -7.401 1.00 0.00 C ATOM 784 O ASP A 129 -2.024 8.995 -8.433 1.00 0.00 O ATOM 785 CB ASP A 129 -0.653 8.583 -5.892 1.00 0.00 C ATOM 786 CG ASP A 129 -0.096 7.963 -4.619 1.00 0.00 C ATOM 787 OD1 ASP A 129 -0.870 7.381 -3.877 1.00 0.00 O ATOM 788 OD2 ASP A 129 1.098 8.080 -4.404 1.00 0.00 O ATOM 0 H ASP A 129 -0.572 6.410 -7.062 1.00 0.00 H new ATOM 0 HA ASP A 129 -2.594 7.716 -5.492 1.00 0.00 H new ATOM 0 HB2 ASP A 129 0.096 8.541 -6.683 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -0.880 9.636 -5.723 1.00 0.00 H new ATOM 793 N LEU A 130 -3.854 9.005 -7.142 1.00 0.00 N ATOM 794 CA LEU A 130 -4.628 9.797 -8.088 1.00 0.00 C ATOM 795 C LEU A 130 -4.325 11.282 -7.948 1.00 0.00 C ATOM 796 O LEU A 130 -4.491 12.041 -8.901 1.00 0.00 O ATOM 797 CB LEU A 130 -6.128 9.561 -7.874 1.00 0.00 C ATOM 798 CG LEU A 130 -6.943 10.215 -9.030 1.00 0.00 C ATOM 799 CD1 LEU A 130 -8.084 9.283 -9.458 1.00 0.00 C ATOM 800 CD2 LEU A 130 -7.536 11.551 -8.558 1.00 0.00 C ATOM 0 H LEU A 130 -4.354 8.747 -6.292 1.00 0.00 H new ATOM 0 HA LEU A 130 -4.346 9.480 -9.092 1.00 0.00 H new ATOM 0 HB2 LEU A 130 -6.334 8.491 -7.833 1.00 0.00 H new ATOM 0 HB3 LEU A 130 -6.437 9.982 -6.917 1.00 0.00 H new ATOM 0 HG LEU A 130 -6.277 10.388 -9.875 1.00 0.00 H new ATOM 0 HD11 LEU A 130 -8.649 9.747 -10.266 1.00 0.00 H new ATOM 0 HD12 LEU A 130 -7.670 8.335 -9.802 1.00 0.00 H new ATOM 0 HD13 LEU A 130 -8.745 9.104 -8.610 1.00 0.00 H new ATOM 0 HD21 LEU A 130 -8.105 12.004 -9.370 1.00 0.00 H new ATOM 0 HD22 LEU A 130 -8.195 11.376 -7.707 1.00 0.00 H new ATOM 0 HD23 LEU A 130 -6.730 12.222 -8.261 1.00 0.00 H new ATOM 812 N ASP A 131 -3.901 11.702 -6.758 1.00 0.00 N ATOM 813 CA ASP A 131 -3.598 13.116 -6.512 1.00 0.00 C ATOM 814 C ASP A 131 -2.103 13.354 -6.382 1.00 0.00 C ATOM 815 O ASP A 131 -1.689 14.411 -5.912 1.00 0.00 O ATOM 816 CB ASP A 131 -4.289 13.574 -5.229 1.00 0.00 C ATOM 817 CG ASP A 131 -3.861 12.690 -4.065 1.00 0.00 C ATOM 818 OD1 ASP A 131 -2.898 11.962 -4.224 1.00 0.00 O ATOM 819 OD2 ASP A 131 -4.502 12.759 -3.028 1.00 0.00 O ATOM 0 H ASP A 131 -3.759 11.092 -5.953 1.00 0.00 H new ATOM 0 HA ASP A 131 -3.964 13.687 -7.365 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -4.035 14.613 -5.020 1.00 0.00 H new ATOM 0 HB3 ASP A 131 -5.371 13.529 -5.352 1.00 0.00 H new ATOM 824 N GLY A 132 -1.292 12.388 -6.804 1.00 0.00 N ATOM 825 CA GLY A 132 0.159 12.542 -6.718 1.00 0.00 C ATOM 826 C GLY A 132 0.570 13.222 -5.412 1.00 0.00 C ATOM 827 O GLY A 132 1.294 14.217 -5.427 1.00 0.00 O ATOM 0 H GLY A 132 -1.607 11.504 -7.203 1.00 0.00 H new ATOM 0 HA2 GLY A 132 0.635 11.564 -6.786 1.00 0.00 H new ATOM 0 HA3 GLY A 132 0.515 13.130 -7.564 1.00 0.00 H new ATOM 831 N ASP A 133 0.101 12.693 -4.282 1.00 0.00 N ATOM 832 CA ASP A 133 0.440 13.279 -2.981 1.00 0.00 C ATOM 833 C ASP A 133 1.618 12.537 -2.359 1.00 0.00 C ATOM 834 O ASP A 133 2.269 13.041 -1.446 1.00 0.00 O ATOM 835 CB ASP A 133 -0.766 13.207 -2.041 1.00 0.00 C ATOM 836 CG ASP A 133 -1.042 11.760 -1.654 1.00 0.00 C ATOM 837 OD1 ASP A 133 -0.388 10.895 -2.203 1.00 0.00 O ATOM 838 OD2 ASP A 133 -1.901 11.538 -0.820 1.00 0.00 O ATOM 0 H ASP A 133 -0.505 11.874 -4.238 1.00 0.00 H new ATOM 0 HA ASP A 133 0.716 14.323 -3.132 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -0.576 13.801 -1.147 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -1.642 13.635 -2.528 1.00 0.00 H new ATOM 843 N GLY A 134 1.884 11.334 -2.860 1.00 0.00 N ATOM 844 CA GLY A 134 2.984 10.520 -2.354 1.00 0.00 C ATOM 845 C GLY A 134 2.472 9.505 -1.352 1.00 0.00 C ATOM 846 O GLY A 134 3.193 8.592 -0.953 1.00 0.00 O ATOM 0 H GLY A 134 1.353 10.902 -3.616 1.00 0.00 H new ATOM 0 HA2 GLY A 134 3.476 10.008 -3.181 1.00 0.00 H new ATOM 0 HA3 GLY A 134 3.732 11.159 -1.884 1.00 0.00 H new ATOM 850 N GLN A 135 1.226 9.684 -0.926 1.00 0.00 N ATOM 851 CA GLN A 135 0.618 8.805 0.054 1.00 0.00 C ATOM 852 C GLN A 135 -0.561 8.062 -0.555 1.00 0.00 C ATOM 853 O GLN A 135 -1.441 8.669 -1.159 1.00 0.00 O ATOM 854 CB GLN A 135 0.134 9.673 1.236 1.00 0.00 C ATOM 855 CG GLN A 135 1.113 9.571 2.400 1.00 0.00 C ATOM 856 CD GLN A 135 0.799 10.630 3.448 1.00 0.00 C ATOM 857 OE1 GLN A 135 1.711 11.235 4.010 1.00 0.00 O ATOM 858 NE2 GLN A 135 -0.443 10.893 3.743 1.00 0.00 N ATOM 0 H GLN A 135 0.618 10.436 -1.249 1.00 0.00 H new ATOM 0 HA GLN A 135 1.345 8.067 0.392 1.00 0.00 H new ATOM 0 HB2 GLN A 135 0.041 10.712 0.920 1.00 0.00 H new ATOM 0 HB3 GLN A 135 -0.856 9.347 1.555 1.00 0.00 H new ATOM 0 HG2 GLN A 135 1.055 8.579 2.847 1.00 0.00 H new ATOM 0 HG3 GLN A 135 2.133 9.699 2.038 1.00 0.00 H new ATOM 0 HE21 GLN A 135 -1.196 10.389 3.275 1.00 0.00 H new ATOM 0 HE22 GLN A 135 -0.662 11.603 4.442 1.00 0.00 H new ATOM 867 N VAL A 136 -0.594 6.751 -0.363 1.00 0.00 N ATOM 868 CA VAL A 136 -1.701 5.964 -0.875 1.00 0.00 C ATOM 869 C VAL A 136 -2.865 6.072 0.103 1.00 0.00 C ATOM 870 O VAL A 136 -2.742 5.673 1.260 1.00 0.00 O ATOM 871 CB VAL A 136 -1.274 4.496 -1.035 1.00 0.00 C ATOM 872 CG1 VAL A 136 -2.506 3.605 -1.222 1.00 0.00 C ATOM 873 CG2 VAL A 136 -0.369 4.367 -2.260 1.00 0.00 C ATOM 0 H VAL A 136 0.120 6.219 0.135 1.00 0.00 H new ATOM 0 HA VAL A 136 -2.005 6.339 -1.852 1.00 0.00 H new ATOM 0 HB VAL A 136 -0.739 4.180 -0.140 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -2.191 2.568 -1.334 1.00 0.00 H new ATOM 0 HG12 VAL A 136 -3.156 3.695 -0.351 1.00 0.00 H new ATOM 0 HG13 VAL A 136 -3.049 3.918 -2.114 1.00 0.00 H new ATOM 0 HG21 VAL A 136 -0.063 3.328 -2.378 1.00 0.00 H new ATOM 0 HG22 VAL A 136 -0.912 4.689 -3.149 1.00 0.00 H new ATOM 0 HG23 VAL A 136 0.514 4.992 -2.128 1.00 0.00 H new ATOM 883 N ASN A 137 -3.998 6.598 -0.357 1.00 0.00 N ATOM 884 CA ASN A 137 -5.178 6.729 0.511 1.00 0.00 C ATOM 885 C ASN A 137 -6.100 5.524 0.332 1.00 0.00 C ATOM 886 O ASN A 137 -5.910 4.716 -0.576 1.00 0.00 O ATOM 887 CB ASN A 137 -5.938 8.018 0.174 1.00 0.00 C ATOM 888 CG ASN A 137 -6.895 8.379 1.308 1.00 0.00 C ATOM 889 OD1 ASN A 137 -6.722 7.923 2.440 1.00 0.00 O ATOM 890 ND2 ASN A 137 -7.895 9.186 1.074 1.00 0.00 N ATOM 0 H ASN A 137 -4.129 6.937 -1.310 1.00 0.00 H new ATOM 0 HA ASN A 137 -4.846 6.771 1.548 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -5.232 8.833 0.011 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -6.495 7.888 -0.754 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -8.533 9.439 1.828 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -8.038 9.563 0.137 1.00 0.00 H new ATOM 897 N TYR A 138 -7.085 5.388 1.212 1.00 0.00 N ATOM 898 CA TYR A 138 -7.999 4.251 1.139 1.00 0.00 C ATOM 899 C TYR A 138 -8.567 4.094 -0.273 1.00 0.00 C ATOM 900 O TYR A 138 -8.589 2.990 -0.813 1.00 0.00 O ATOM 901 CB TYR A 138 -9.149 4.448 2.127 1.00 0.00 C ATOM 902 CG TYR A 138 -10.030 3.219 2.120 1.00 0.00 C ATOM 903 CD1 TYR A 138 -9.563 2.024 2.685 1.00 0.00 C ATOM 904 CD2 TYR A 138 -11.310 3.273 1.559 1.00 0.00 C ATOM 905 CE1 TYR A 138 -10.377 0.885 2.685 1.00 0.00 C ATOM 906 CE2 TYR A 138 -12.123 2.136 1.560 1.00 0.00 C ATOM 907 CZ TYR A 138 -11.658 0.941 2.122 1.00 0.00 C ATOM 908 OH TYR A 138 -12.462 -0.180 2.123 1.00 0.00 O ATOM 0 H TYR A 138 -7.271 6.040 1.974 1.00 0.00 H new ATOM 0 HA TYR A 138 -7.441 3.349 1.393 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -8.757 4.623 3.129 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -9.731 5.328 1.854 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -8.575 1.982 3.120 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -11.670 4.194 1.125 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -10.017 -0.036 3.119 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -13.111 2.179 1.127 1.00 0.00 H new ATOM 0 HH TYR A 138 -12.939 -0.241 1.269 1.00 0.00 H new ATOM 918 N GLU A 139 -9.025 5.190 -0.869 1.00 0.00 N ATOM 919 CA GLU A 139 -9.595 5.127 -2.214 1.00 0.00 C ATOM 920 C GLU A 139 -8.582 4.579 -3.212 1.00 0.00 C ATOM 921 O GLU A 139 -8.910 3.707 -4.018 1.00 0.00 O ATOM 922 CB GLU A 139 -10.046 6.524 -2.649 1.00 0.00 C ATOM 923 CG GLU A 139 -10.868 6.422 -3.937 1.00 0.00 C ATOM 924 CD GLU A 139 -12.217 5.775 -3.640 1.00 0.00 C ATOM 925 OE1 GLU A 139 -12.515 5.585 -2.472 1.00 0.00 O ATOM 926 OE2 GLU A 139 -12.933 5.485 -4.584 1.00 0.00 O ATOM 0 H GLU A 139 -9.014 6.120 -0.451 1.00 0.00 H new ATOM 0 HA GLU A 139 -10.453 4.455 -2.192 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -10.641 6.986 -1.862 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -9.178 7.164 -2.810 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -11.016 7.414 -4.364 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -10.328 5.833 -4.678 1.00 0.00 H new ATOM 933 N GLU A 140 -7.353 5.077 -3.157 1.00 0.00 N ATOM 934 CA GLU A 140 -6.332 4.601 -4.071 1.00 0.00 C ATOM 935 C GLU A 140 -6.007 3.143 -3.785 1.00 0.00 C ATOM 936 O GLU A 140 -5.823 2.350 -4.708 1.00 0.00 O ATOM 937 CB GLU A 140 -5.080 5.466 -3.951 1.00 0.00 C ATOM 938 CG GLU A 140 -5.398 6.893 -4.441 1.00 0.00 C ATOM 939 CD GLU A 140 -4.434 7.895 -3.831 1.00 0.00 C ATOM 940 OE1 GLU A 140 -3.533 7.465 -3.132 1.00 0.00 O ATOM 941 OE2 GLU A 140 -4.625 9.081 -4.060 1.00 0.00 O ATOM 0 H GLU A 140 -7.046 5.796 -2.502 1.00 0.00 H new ATOM 0 HA GLU A 140 -6.708 4.674 -5.092 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -4.740 5.492 -2.916 1.00 0.00 H new ATOM 0 HB3 GLU A 140 -4.270 5.038 -4.542 1.00 0.00 H new ATOM 0 HG2 GLU A 140 -5.333 6.933 -5.528 1.00 0.00 H new ATOM 0 HG3 GLU A 140 -6.421 7.156 -4.173 1.00 0.00 H new ATOM 948 N PHE A 141 -5.963 2.781 -2.508 1.00 0.00 N ATOM 949 CA PHE A 141 -5.683 1.400 -2.141 1.00 0.00 C ATOM 950 C PHE A 141 -6.792 0.503 -2.673 1.00 0.00 C ATOM 951 O PHE A 141 -6.530 -0.509 -3.324 1.00 0.00 O ATOM 952 CB PHE A 141 -5.576 1.269 -0.620 1.00 0.00 C ATOM 953 CG PHE A 141 -5.136 -0.133 -0.255 1.00 0.00 C ATOM 954 CD1 PHE A 141 -3.868 -0.591 -0.644 1.00 0.00 C ATOM 955 CD2 PHE A 141 -5.992 -0.973 0.471 1.00 0.00 C ATOM 956 CE1 PHE A 141 -3.460 -1.887 -0.307 1.00 0.00 C ATOM 957 CE2 PHE A 141 -5.581 -2.267 0.805 1.00 0.00 C ATOM 958 CZ PHE A 141 -4.315 -2.724 0.416 1.00 0.00 C ATOM 0 H PHE A 141 -6.115 3.413 -1.722 1.00 0.00 H new ATOM 0 HA PHE A 141 -4.733 1.094 -2.579 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -4.862 1.996 -0.233 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -6.538 1.490 -0.158 1.00 0.00 H new ATOM 0 HD1 PHE A 141 -3.208 0.056 -1.203 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -6.968 -0.621 0.772 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -2.484 -2.240 -0.606 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -6.240 -2.915 1.364 1.00 0.00 H new ATOM 0 HZ PHE A 141 -3.999 -3.724 0.675 1.00 0.00 H new ATOM 968 N VAL A 142 -8.032 0.887 -2.400 1.00 0.00 N ATOM 969 CA VAL A 142 -9.169 0.112 -2.867 1.00 0.00 C ATOM 970 C VAL A 142 -9.124 0.033 -4.387 1.00 0.00 C ATOM 971 O VAL A 142 -9.282 -1.038 -4.970 1.00 0.00 O ATOM 972 CB VAL A 142 -10.479 0.780 -2.415 1.00 0.00 C ATOM 973 CG1 VAL A 142 -11.665 0.177 -3.174 1.00 0.00 C ATOM 974 CG2 VAL A 142 -10.680 0.562 -0.911 1.00 0.00 C ATOM 0 H VAL A 142 -8.273 1.721 -1.864 1.00 0.00 H new ATOM 0 HA VAL A 142 -9.126 -0.893 -2.447 1.00 0.00 H new ATOM 0 HB VAL A 142 -10.420 1.848 -2.626 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -12.588 0.656 -2.847 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -11.532 0.338 -4.244 1.00 0.00 H new ATOM 0 HG13 VAL A 142 -11.720 -0.893 -2.972 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -11.609 1.037 -0.595 1.00 0.00 H new ATOM 0 HG22 VAL A 142 -10.729 -0.507 -0.702 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -9.845 1.000 -0.365 1.00 0.00 H new ATOM 984 N LYS A 143 -8.899 1.175 -5.021 1.00 0.00 N ATOM 985 CA LYS A 143 -8.825 1.228 -6.470 1.00 0.00 C ATOM 986 C LYS A 143 -7.666 0.367 -6.958 1.00 0.00 C ATOM 987 O LYS A 143 -7.832 -0.476 -7.842 1.00 0.00 O ATOM 988 CB LYS A 143 -8.617 2.679 -6.892 1.00 0.00 C ATOM 989 CG LYS A 143 -8.684 2.792 -8.417 1.00 0.00 C ATOM 990 CD LYS A 143 -8.480 4.251 -8.830 1.00 0.00 C ATOM 991 CE LYS A 143 -8.564 4.367 -10.354 1.00 0.00 C ATOM 992 NZ LYS A 143 -8.328 5.782 -10.759 1.00 0.00 N ATOM 0 H LYS A 143 -8.765 2.073 -4.555 1.00 0.00 H new ATOM 0 HA LYS A 143 -9.748 0.846 -6.908 1.00 0.00 H new ATOM 0 HB2 LYS A 143 -9.379 3.312 -6.438 1.00 0.00 H new ATOM 0 HB3 LYS A 143 -7.651 3.036 -6.534 1.00 0.00 H new ATOM 0 HG2 LYS A 143 -7.919 2.164 -8.873 1.00 0.00 H new ATOM 0 HG3 LYS A 143 -9.648 2.432 -8.777 1.00 0.00 H new ATOM 0 HD2 LYS A 143 -9.238 4.881 -8.364 1.00 0.00 H new ATOM 0 HD3 LYS A 143 -7.511 4.607 -8.480 1.00 0.00 H new ATOM 0 HE2 LYS A 143 -7.824 3.716 -10.820 1.00 0.00 H new ATOM 0 HE3 LYS A 143 -9.543 4.037 -10.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 143 -8.385 5.861 -11.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 143 -9.050 6.392 -10.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 143 -7.384 6.081 -10.441 1.00 0.00 H new ATOM 1006 N MET A 144 -6.500 0.562 -6.353 1.00 0.00 N ATOM 1007 CA MET A 144 -5.320 -0.224 -6.713 1.00 0.00 C ATOM 1008 C MET A 144 -5.579 -1.685 -6.421 1.00 0.00 C ATOM 1009 O MET A 144 -5.193 -2.572 -7.182 1.00 0.00 O ATOM 1010 CB MET A 144 -4.112 0.227 -5.894 1.00 0.00 C ATOM 1011 CG MET A 144 -2.809 -0.351 -6.479 1.00 0.00 C ATOM 1012 SD MET A 144 -2.603 -2.066 -5.932 1.00 0.00 S ATOM 1013 CE MET A 144 -1.961 -1.723 -4.267 1.00 0.00 C ATOM 0 H MET A 144 -6.344 1.251 -5.617 1.00 0.00 H new ATOM 0 HA MET A 144 -5.116 -0.079 -7.774 1.00 0.00 H new ATOM 0 HB2 MET A 144 -4.060 1.316 -5.883 1.00 0.00 H new ATOM 0 HB3 MET A 144 -4.227 -0.097 -4.860 1.00 0.00 H new ATOM 0 HG2 MET A 144 -2.837 -0.307 -7.568 1.00 0.00 H new ATOM 0 HG3 MET A 144 -1.957 0.248 -6.157 1.00 0.00 H new ATOM 0 HE1 MET A 144 -0.900 -1.968 -4.229 1.00 0.00 H new ATOM 0 HE2 MET A 144 -2.098 -0.667 -4.035 1.00 0.00 H new ATOM 0 HE3 MET A 144 -2.500 -2.328 -3.538 1.00 0.00 H new ATOM 1023 N MET A 145 -6.239 -1.924 -5.307 1.00 0.00 N ATOM 1024 CA MET A 145 -6.553 -3.289 -4.908 1.00 0.00 C ATOM 1025 C MET A 145 -7.455 -3.938 -5.949 1.00 0.00 C ATOM 1026 O MET A 145 -7.294 -5.114 -6.273 1.00 0.00 O ATOM 1027 CB MET A 145 -7.229 -3.315 -3.532 1.00 0.00 C ATOM 1028 CG MET A 145 -7.473 -4.768 -3.109 1.00 0.00 C ATOM 1029 SD MET A 145 -8.049 -4.807 -1.389 1.00 0.00 S ATOM 1030 CE MET A 145 -6.456 -5.175 -0.608 1.00 0.00 C ATOM 0 H MET A 145 -6.567 -1.203 -4.665 1.00 0.00 H new ATOM 0 HA MET A 145 -5.622 -3.852 -4.839 1.00 0.00 H new ATOM 0 HB2 MET A 145 -6.601 -2.812 -2.797 1.00 0.00 H new ATOM 0 HB3 MET A 145 -8.174 -2.772 -3.569 1.00 0.00 H new ATOM 0 HG2 MET A 145 -8.214 -5.229 -3.763 1.00 0.00 H new ATOM 0 HG3 MET A 145 -6.555 -5.347 -3.210 1.00 0.00 H new ATOM 0 HE1 MET A 145 -6.489 -4.883 0.442 1.00 0.00 H new ATOM 0 HE2 MET A 145 -6.253 -6.243 -0.681 1.00 0.00 H new ATOM 0 HE3 MET A 145 -5.666 -4.620 -1.114 1.00 0.00 H new ATOM 1040 N MET A 146 -8.391 -3.164 -6.486 1.00 0.00 N ATOM 1041 CA MET A 146 -9.292 -3.683 -7.502 1.00 0.00 C ATOM 1042 C MET A 146 -8.511 -4.054 -8.754 1.00 0.00 C ATOM 1043 O MET A 146 -8.791 -5.070 -9.391 1.00 0.00 O ATOM 1044 CB MET A 146 -10.371 -2.642 -7.842 1.00 0.00 C ATOM 1045 CG MET A 146 -11.473 -2.655 -6.771 1.00 0.00 C ATOM 1046 SD MET A 146 -12.951 -1.837 -7.417 1.00 0.00 S ATOM 1047 CE MET A 146 -12.306 -0.152 -7.417 1.00 0.00 C ATOM 0 H MET A 146 -8.543 -2.187 -6.237 1.00 0.00 H new ATOM 0 HA MET A 146 -9.779 -4.576 -7.112 1.00 0.00 H new ATOM 0 HB2 MET A 146 -9.924 -1.650 -7.903 1.00 0.00 H new ATOM 0 HB3 MET A 146 -10.801 -2.858 -8.820 1.00 0.00 H new ATOM 0 HG2 MET A 146 -11.707 -3.681 -6.487 1.00 0.00 H new ATOM 0 HG3 MET A 146 -11.127 -2.146 -5.871 1.00 0.00 H new ATOM 0 HE1 MET A 146 -13.123 0.550 -7.580 1.00 0.00 H new ATOM 0 HE2 MET A 146 -11.834 0.057 -6.457 1.00 0.00 H new ATOM 0 HE3 MET A 146 -11.571 -0.044 -8.214 1.00 0.00 H new ATOM 1057 N THR A 147 -7.536 -3.224 -9.105 1.00 0.00 N ATOM 1058 CA THR A 147 -6.723 -3.476 -10.288 1.00 0.00 C ATOM 1059 C THR A 147 -6.240 -4.924 -10.300 1.00 0.00 C ATOM 1060 O THR A 147 -5.821 -5.440 -11.336 1.00 0.00 O ATOM 1061 CB THR A 147 -5.517 -2.530 -10.304 1.00 0.00 C ATOM 1062 OG1 THR A 147 -5.965 -1.192 -10.127 1.00 0.00 O ATOM 1063 CG2 THR A 147 -4.781 -2.647 -11.640 1.00 0.00 C ATOM 0 H THR A 147 -7.291 -2.377 -8.592 1.00 0.00 H new ATOM 0 HA THR A 147 -7.332 -3.299 -11.174 1.00 0.00 H new ATOM 0 HB THR A 147 -4.838 -2.801 -9.496 1.00 0.00 H new ATOM 0 HG1 THR A 147 -5.195 -0.586 -10.135 1.00 0.00 H new ATOM 0 HG21 THR A 147 -3.925 -1.972 -11.644 1.00 0.00 H new ATOM 0 HG22 THR A 147 -4.436 -3.672 -11.777 1.00 0.00 H new ATOM 0 HG23 THR A 147 -5.457 -2.381 -12.452 1.00 0.00 H new ATOM 1071 N VAL A 148 -6.308 -5.575 -9.145 1.00 0.00 N ATOM 1072 CA VAL A 148 -5.879 -6.963 -9.035 1.00 0.00 C ATOM 1073 C VAL A 148 -6.957 -7.903 -9.579 1.00 0.00 C ATOM 1074 O VAL A 148 -6.772 -9.119 -9.620 1.00 0.00 O ATOM 1075 CB VAL A 148 -5.572 -7.297 -7.569 1.00 0.00 C ATOM 1076 CG1 VAL A 148 -4.937 -8.690 -7.469 1.00 0.00 C ATOM 1077 CG2 VAL A 148 -4.599 -6.255 -7.007 1.00 0.00 C ATOM 0 H VAL A 148 -6.654 -5.167 -8.277 1.00 0.00 H new ATOM 0 HA VAL A 148 -4.975 -7.100 -9.628 1.00 0.00 H new ATOM 0 HB VAL A 148 -6.500 -7.286 -6.997 1.00 0.00 H new ATOM 0 HG11 VAL A 148 -4.723 -8.918 -6.425 1.00 0.00 H new ATOM 0 HG12 VAL A 148 -5.626 -9.434 -7.869 1.00 0.00 H new ATOM 0 HG13 VAL A 148 -4.010 -8.709 -8.042 1.00 0.00 H new ATOM 0 HG21 VAL A 148 -4.378 -6.488 -5.965 1.00 0.00 H new ATOM 0 HG22 VAL A 148 -3.676 -6.270 -7.586 1.00 0.00 H new ATOM 0 HG23 VAL A 148 -5.050 -5.265 -7.069 1.00 0.00 H new ATOM 1087 N ARG A 149 -8.080 -7.330 -10.004 1.00 0.00 N ATOM 1088 CA ARG A 149 -9.171 -8.133 -10.549 1.00 0.00 C ATOM 1089 C ARG A 149 -9.528 -9.259 -9.583 1.00 0.00 C ATOM 1090 O ARG A 149 -9.470 -10.406 -9.993 1.00 0.00 O ATOM 1091 CB ARG A 149 -8.756 -8.729 -11.899 1.00 0.00 C ATOM 1092 CG ARG A 149 -8.604 -7.606 -12.930 1.00 0.00 C ATOM 1093 CD ARG A 149 -8.140 -8.194 -14.265 1.00 0.00 C ATOM 1094 NE ARG A 149 -7.954 -7.125 -15.243 1.00 0.00 N ATOM 1095 CZ ARG A 149 -8.981 -6.643 -15.933 1.00 0.00 C ATOM 1096 NH1 ARG A 149 -10.175 -7.129 -15.733 1.00 0.00 N ATOM 1097 NH2 ARG A 149 -8.797 -5.689 -16.803 1.00 0.00 N ATOM 1098 OXT ARG A 149 -9.844 -8.957 -8.444 1.00 0.00 O ATOM 0 H ARG A 149 -8.258 -6.326 -9.982 1.00 0.00 H new ATOM 0 HA ARG A 149 -10.042 -7.492 -10.689 1.00 0.00 H new ATOM 0 HB2 ARG A 149 -7.816 -9.271 -11.795 1.00 0.00 H new ATOM 0 HB3 ARG A 149 -9.503 -9.448 -12.236 1.00 0.00 H new ATOM 0 HG2 ARG A 149 -9.554 -7.087 -13.060 1.00 0.00 H new ATOM 0 HG3 ARG A 149 -7.884 -6.869 -12.576 1.00 0.00 H new ATOM 0 HD2 ARG A 149 -7.206 -8.739 -14.127 1.00 0.00 H new ATOM 0 HD3 ARG A 149 -8.875 -8.910 -14.632 1.00 0.00 H new ATOM 0 HE ARG A 149 -7.021 -6.743 -15.398 1.00 0.00 H new ATOM 0 HH11 ARG A 149 -10.315 -7.874 -15.050 1.00 0.00 H new ATOM 0 HH12 ARG A 149 -10.969 -6.764 -16.259 1.00 0.00 H new ATOM 0 HH21 ARG A 149 -7.862 -5.311 -16.955 1.00 0.00 H new ATOM 0 HH22 ARG A 149 -9.588 -5.321 -17.331 1.00 0.00 H new TER 1112 ARG A 149 HETATM 1113 CA CA A 221 1.268 4.372 8.181 1.00 0.00 CA HETATM 1114 CA CA A 234 -1.799 9.755 -2.514 1.00 0.00 CA