USER MOD reduce.3.24.130724 H: found=0, std=0, add=541, rem=0, adj=14 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 NoAdj : A 97 ASNHD21 : A 97 ASN OD1 : A 221 CACA :(metal ligand) USER MOD NoAdj : A 97 ASNHD22 : A 97 ASN OD1 : A 221 CACA :(metal ligand) USER MOD Set 1.1: A 94 LYS NZ :NH3+ -121:sc= 0 (180deg=0) USER MOD Set 1.2: A 107 HIS : no HD1:sc= -0.0049 X(o=-0.0049,f=0.12) USER MOD Single : A 86 LYS NZ :NH3+ -157:sc= 0.72 (180deg=0.477) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= -0.11 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 111 ASN : amide:sc= -0.409 K(o=-0.41,f=-1.8) USER MOD Single : A 115 LYS NZ :NH3+ -154:sc= -0.442 (180deg=-1.21) USER MOD Single : A 117 THR OG1 : rot 180:sc= -0.649 USER MOD Single : A 123 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 126 LYS NZ :NH3+ -162:sc= -0.123 (180deg=-0.538) USER MOD Single : A 135 GLN : amide:sc= -4.93! C(o=-4.9!,f=-6.9!) USER MOD Single : A 137 ASN : amide:sc= -2.75! C(o=-2.8!,f=-4.6!) USER MOD Single : A 138 TYR OH : rot 99:sc= 0.242 USER MOD Single : A 143 LYS NZ :NH3+ -161:sc= -0.048 (180deg=-0.451) USER MOD Single : A 144 MET CE :methyl -150:sc= -0.165 (180deg=-0.816) USER MOD Single : A 145 MET CE :methyl -140:sc= -0.306 (180deg=-1.56) USER MOD Single : A 146 MET CE :methyl 156:sc= -0.074 (180deg=-0.788) USER MOD Single : A 147 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 80 -18.479 -7.621 4.593 1.00 0.00 N ATOM 2 CA ASP A 80 -17.174 -8.152 5.080 1.00 0.00 C ATOM 3 C ASP A 80 -16.027 -7.429 4.382 1.00 0.00 C ATOM 4 O ASP A 80 -15.057 -7.027 5.024 1.00 0.00 O ATOM 5 CB ASP A 80 -17.091 -9.651 4.788 1.00 0.00 C ATOM 6 CG ASP A 80 -17.983 -10.424 5.756 1.00 0.00 C ATOM 7 OD1 ASP A 80 -18.384 -9.849 6.754 1.00 0.00 O ATOM 8 OD2 ASP A 80 -18.249 -11.583 5.484 1.00 0.00 O ATOM 0 HA ASP A 80 -17.098 -7.987 6.155 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -17.400 -9.847 3.761 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -16.060 -9.991 4.881 1.00 0.00 H new ATOM 15 N ALA A 81 -16.137 -7.270 3.068 1.00 0.00 N ATOM 16 CA ALA A 81 -15.086 -6.596 2.317 1.00 0.00 C ATOM 17 C ALA A 81 -14.806 -5.231 2.929 1.00 0.00 C ATOM 18 O ALA A 81 -13.654 -4.872 3.167 1.00 0.00 O ATOM 19 CB ALA A 81 -15.501 -6.430 0.855 1.00 0.00 C ATOM 0 H ALA A 81 -16.928 -7.592 2.510 1.00 0.00 H new ATOM 0 HA ALA A 81 -14.182 -7.203 2.360 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -14.706 -5.925 0.306 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -15.680 -7.411 0.414 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -16.413 -5.836 0.801 1.00 0.00 H new ATOM 25 N GLU A 82 -15.862 -4.468 3.180 1.00 0.00 N ATOM 26 CA GLU A 82 -15.700 -3.141 3.760 1.00 0.00 C ATOM 27 C GLU A 82 -14.976 -3.235 5.103 1.00 0.00 C ATOM 28 O GLU A 82 -14.158 -2.380 5.441 1.00 0.00 O ATOM 29 CB GLU A 82 -17.078 -2.475 3.939 1.00 0.00 C ATOM 30 CG GLU A 82 -16.955 -0.967 3.713 1.00 0.00 C ATOM 31 CD GLU A 82 -15.864 -0.396 4.614 1.00 0.00 C ATOM 32 OE1 GLU A 82 -16.027 -0.462 5.822 1.00 0.00 O ATOM 33 OE2 GLU A 82 -14.882 0.096 4.082 1.00 0.00 O ATOM 0 H GLU A 82 -16.827 -4.740 2.994 1.00 0.00 H new ATOM 0 HA GLU A 82 -15.099 -2.531 3.086 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -17.793 -2.901 3.235 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -17.461 -2.672 4.940 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -16.719 -0.765 2.668 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -17.907 -0.480 3.925 1.00 0.00 H new ATOM 40 N GLU A 83 -15.257 -4.296 5.846 1.00 0.00 N ATOM 41 CA GLU A 83 -14.591 -4.495 7.127 1.00 0.00 C ATOM 42 C GLU A 83 -13.144 -4.906 6.878 1.00 0.00 C ATOM 43 O GLU A 83 -12.212 -4.177 7.218 1.00 0.00 O ATOM 44 CB GLU A 83 -15.311 -5.557 7.953 1.00 0.00 C ATOM 45 CG GLU A 83 -16.669 -5.012 8.420 1.00 0.00 C ATOM 46 CD GLU A 83 -17.711 -5.157 7.314 1.00 0.00 C ATOM 47 OE1 GLU A 83 -17.340 -5.567 6.227 1.00 0.00 O ATOM 48 OE2 GLU A 83 -18.864 -4.858 7.574 1.00 0.00 O ATOM 0 H GLU A 83 -15.928 -5.020 5.591 1.00 0.00 H new ATOM 0 HA GLU A 83 -14.614 -3.562 7.691 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -15.455 -6.459 7.358 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -14.704 -5.836 8.814 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -16.997 -5.550 9.310 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -16.570 -3.963 8.700 1.00 0.00 H new ATOM 55 N GLU A 84 -12.961 -6.081 6.282 1.00 0.00 N ATOM 56 CA GLU A 84 -11.620 -6.578 5.993 1.00 0.00 C ATOM 57 C GLU A 84 -10.741 -5.459 5.442 1.00 0.00 C ATOM 58 O GLU A 84 -9.600 -5.291 5.874 1.00 0.00 O ATOM 59 CB GLU A 84 -11.691 -7.721 4.976 1.00 0.00 C ATOM 60 CG GLU A 84 -10.288 -8.293 4.757 1.00 0.00 C ATOM 61 CD GLU A 84 -10.346 -9.491 3.817 1.00 0.00 C ATOM 62 OE1 GLU A 84 -11.389 -9.702 3.220 1.00 0.00 O ATOM 63 OE2 GLU A 84 -9.344 -10.179 3.705 1.00 0.00 O ATOM 0 H GLU A 84 -13.717 -6.701 5.992 1.00 0.00 H new ATOM 0 HA GLU A 84 -11.183 -6.946 6.921 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -12.362 -8.501 5.335 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -12.100 -7.359 4.033 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -9.636 -7.526 4.339 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -9.857 -8.592 5.712 1.00 0.00 H new ATOM 70 N LEU A 85 -11.267 -4.695 4.488 1.00 0.00 N ATOM 71 CA LEU A 85 -10.496 -3.603 3.904 1.00 0.00 C ATOM 72 C LEU A 85 -10.137 -2.574 4.971 1.00 0.00 C ATOM 73 O LEU A 85 -9.000 -2.104 5.031 1.00 0.00 O ATOM 74 CB LEU A 85 -11.304 -2.929 2.790 1.00 0.00 C ATOM 75 CG LEU A 85 -11.402 -3.859 1.568 1.00 0.00 C ATOM 76 CD1 LEU A 85 -12.467 -3.318 0.608 1.00 0.00 C ATOM 77 CD2 LEU A 85 -10.043 -3.940 0.839 1.00 0.00 C ATOM 0 H LEU A 85 -12.207 -4.809 4.109 1.00 0.00 H new ATOM 0 HA LEU A 85 -9.577 -4.013 3.486 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -12.303 -2.685 3.152 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -10.830 -1.990 2.504 1.00 0.00 H new ATOM 0 HG LEU A 85 -11.677 -4.859 1.904 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -12.541 -3.973 -0.260 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -13.430 -3.280 1.117 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -12.189 -2.315 0.283 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -10.131 -4.602 -0.022 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -9.750 -2.945 0.504 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -9.287 -4.330 1.521 1.00 0.00 H new ATOM 89 N LYS A 86 -11.100 -2.235 5.821 1.00 0.00 N ATOM 90 CA LYS A 86 -10.838 -1.273 6.885 1.00 0.00 C ATOM 91 C LYS A 86 -9.799 -1.822 7.855 1.00 0.00 C ATOM 92 O LYS A 86 -8.878 -1.108 8.254 1.00 0.00 O ATOM 93 CB LYS A 86 -12.135 -0.941 7.634 1.00 0.00 C ATOM 94 CG LYS A 86 -13.032 -0.038 6.771 1.00 0.00 C ATOM 95 CD LYS A 86 -12.559 1.423 6.850 1.00 0.00 C ATOM 96 CE LYS A 86 -13.631 2.338 6.256 1.00 0.00 C ATOM 97 NZ LYS A 86 -13.730 2.092 4.790 1.00 0.00 N ATOM 0 H LYS A 86 -12.051 -2.603 5.797 1.00 0.00 H new ATOM 0 HA LYS A 86 -10.448 -0.360 6.436 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -12.665 -1.860 7.883 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -11.902 -0.442 8.575 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -13.012 -0.378 5.735 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -14.065 -0.111 7.110 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -12.364 1.698 7.887 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -11.622 1.543 6.307 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -14.592 2.149 6.734 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -13.380 3.382 6.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -14.137 2.928 4.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -12.782 1.908 4.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -14.340 1.268 4.617 1.00 0.00 H new ATOM 111 N GLU A 87 -9.941 -3.089 8.229 1.00 0.00 N ATOM 112 CA GLU A 87 -8.991 -3.703 9.146 1.00 0.00 C ATOM 113 C GLU A 87 -7.632 -3.860 8.470 1.00 0.00 C ATOM 114 O GLU A 87 -6.605 -3.461 9.019 1.00 0.00 O ATOM 115 CB GLU A 87 -9.509 -5.072 9.596 1.00 0.00 C ATOM 116 CG GLU A 87 -8.551 -5.661 10.634 1.00 0.00 C ATOM 117 CD GLU A 87 -9.088 -6.996 11.139 1.00 0.00 C ATOM 118 OE1 GLU A 87 -10.037 -7.491 10.554 1.00 0.00 O ATOM 119 OE2 GLU A 87 -8.545 -7.502 12.107 1.00 0.00 O ATOM 0 H GLU A 87 -10.694 -3.702 7.916 1.00 0.00 H new ATOM 0 HA GLU A 87 -8.879 -3.059 10.018 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -10.508 -4.974 10.021 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -9.592 -5.741 8.740 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -7.564 -5.800 10.193 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -8.433 -4.968 11.467 1.00 0.00 H new ATOM 126 N ALA A 88 -7.634 -4.441 7.273 1.00 0.00 N ATOM 127 CA ALA A 88 -6.392 -4.644 6.537 1.00 0.00 C ATOM 128 C ALA A 88 -5.664 -3.316 6.368 1.00 0.00 C ATOM 129 O ALA A 88 -4.465 -3.214 6.629 1.00 0.00 O ATOM 130 CB ALA A 88 -6.688 -5.255 5.165 1.00 0.00 C ATOM 0 H ALA A 88 -8.472 -4.776 6.797 1.00 0.00 H new ATOM 0 HA ALA A 88 -5.757 -5.328 7.099 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -5.754 -5.403 4.623 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -7.188 -6.215 5.294 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -7.333 -4.583 4.599 1.00 0.00 H new ATOM 136 N PHE A 89 -6.395 -2.296 5.937 1.00 0.00 N ATOM 137 CA PHE A 89 -5.802 -0.980 5.750 1.00 0.00 C ATOM 138 C PHE A 89 -5.189 -0.497 7.056 1.00 0.00 C ATOM 139 O PHE A 89 -4.095 0.069 7.069 1.00 0.00 O ATOM 140 CB PHE A 89 -6.862 0.017 5.285 1.00 0.00 C ATOM 141 CG PHE A 89 -6.251 1.396 5.192 1.00 0.00 C ATOM 142 CD1 PHE A 89 -6.120 2.178 6.346 1.00 0.00 C ATOM 143 CD2 PHE A 89 -5.823 1.897 3.958 1.00 0.00 C ATOM 144 CE1 PHE A 89 -5.560 3.457 6.266 1.00 0.00 C ATOM 145 CE2 PHE A 89 -5.266 3.176 3.877 1.00 0.00 C ATOM 146 CZ PHE A 89 -5.136 3.956 5.030 1.00 0.00 C ATOM 0 H PHE A 89 -7.388 -2.354 5.713 1.00 0.00 H new ATOM 0 HA PHE A 89 -5.024 -1.053 4.990 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -7.258 -0.283 4.315 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -7.700 0.025 5.982 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -6.452 1.793 7.299 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -5.923 1.295 3.067 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -5.455 4.058 7.157 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -4.936 3.562 2.924 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.708 4.945 4.966 1.00 0.00 H new ATOM 156 N LYS A 90 -5.903 -0.714 8.152 1.00 0.00 N ATOM 157 CA LYS A 90 -5.420 -0.289 9.456 1.00 0.00 C ATOM 158 C LYS A 90 -4.109 -0.989 9.803 1.00 0.00 C ATOM 159 O LYS A 90 -3.248 -0.414 10.470 1.00 0.00 O ATOM 160 CB LYS A 90 -6.469 -0.600 10.532 1.00 0.00 C ATOM 161 CG LYS A 90 -6.161 0.181 11.822 1.00 0.00 C ATOM 162 CD LYS A 90 -6.543 1.665 11.666 1.00 0.00 C ATOM 163 CE LYS A 90 -6.687 2.313 13.049 1.00 0.00 C ATOM 164 NZ LYS A 90 -8.048 2.035 13.585 1.00 0.00 N ATOM 0 H LYS A 90 -6.811 -1.178 8.164 1.00 0.00 H new ATOM 0 HA LYS A 90 -5.243 0.786 9.420 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -7.462 -0.336 10.168 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -6.479 -1.670 10.741 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -6.710 -0.255 12.657 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -5.101 0.097 12.059 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -5.781 2.187 11.087 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -7.479 1.753 11.114 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -5.930 1.921 13.728 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -6.525 3.388 12.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -8.148 2.473 14.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -8.762 2.430 12.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -8.186 1.007 13.667 1.00 0.00 H new ATOM 178 N VAL A 91 -3.951 -2.225 9.336 1.00 0.00 N ATOM 179 CA VAL A 91 -2.723 -2.971 9.601 1.00 0.00 C ATOM 180 C VAL A 91 -1.540 -2.351 8.849 1.00 0.00 C ATOM 181 O VAL A 91 -0.462 -2.170 9.414 1.00 0.00 O ATOM 182 CB VAL A 91 -2.897 -4.438 9.198 1.00 0.00 C ATOM 183 CG1 VAL A 91 -1.553 -5.169 9.299 1.00 0.00 C ATOM 184 CG2 VAL A 91 -3.904 -5.101 10.141 1.00 0.00 C ATOM 0 H VAL A 91 -4.645 -2.725 8.781 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.515 -2.922 10.670 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.258 -4.490 8.171 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.684 -6.212 9.011 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -0.831 -4.696 8.633 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -1.188 -5.119 10.325 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.033 -6.146 9.859 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.536 -5.044 11.165 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.862 -4.586 10.071 1.00 0.00 H new ATOM 194 N PHE A 92 -1.751 -2.030 7.573 1.00 0.00 N ATOM 195 CA PHE A 92 -0.690 -1.432 6.761 1.00 0.00 C ATOM 196 C PHE A 92 -0.351 -0.037 7.270 1.00 0.00 C ATOM 197 O PHE A 92 0.797 0.401 7.191 1.00 0.00 O ATOM 198 CB PHE A 92 -1.111 -1.342 5.287 1.00 0.00 C ATOM 199 CG PHE A 92 -1.832 -2.603 4.857 1.00 0.00 C ATOM 200 CD1 PHE A 92 -1.419 -3.865 5.315 1.00 0.00 C ATOM 201 CD2 PHE A 92 -2.922 -2.504 3.984 1.00 0.00 C ATOM 202 CE1 PHE A 92 -2.097 -5.014 4.900 1.00 0.00 C ATOM 203 CE2 PHE A 92 -3.598 -3.653 3.573 1.00 0.00 C ATOM 204 CZ PHE A 92 -3.187 -4.910 4.031 1.00 0.00 C ATOM 0 H PHE A 92 -2.635 -2.171 7.083 1.00 0.00 H new ATOM 0 HA PHE A 92 0.188 -2.072 6.841 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -1.760 -0.479 5.141 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -0.232 -1.189 4.661 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -0.578 -3.947 5.987 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -3.240 -1.535 3.628 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -1.778 -5.984 5.251 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -4.439 -3.572 2.901 1.00 0.00 H new ATOM 0 HZ PHE A 92 -3.712 -5.799 3.713 1.00 0.00 H new ATOM 214 N ASP A 93 -1.356 0.659 7.781 1.00 0.00 N ATOM 215 CA ASP A 93 -1.150 2.007 8.286 1.00 0.00 C ATOM 216 C ASP A 93 -0.406 1.969 9.619 1.00 0.00 C ATOM 217 O ASP A 93 -0.919 2.428 10.639 1.00 0.00 O ATOM 218 CB ASP A 93 -2.496 2.706 8.472 1.00 0.00 C ATOM 219 CG ASP A 93 -2.285 4.201 8.668 1.00 0.00 C ATOM 220 OD1 ASP A 93 -1.178 4.660 8.437 1.00 0.00 O ATOM 221 OD2 ASP A 93 -3.231 4.867 9.053 1.00 0.00 O ATOM 0 H ASP A 93 -2.314 0.316 7.856 1.00 0.00 H new ATOM 0 HA ASP A 93 -0.551 2.560 7.562 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -3.129 2.531 7.602 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -3.016 2.288 9.334 1.00 0.00 H new ATOM 226 N LYS A 94 0.796 1.402 9.603 1.00 0.00 N ATOM 227 CA LYS A 94 1.581 1.295 10.827 1.00 0.00 C ATOM 228 C LYS A 94 1.681 2.661 11.500 1.00 0.00 C ATOM 229 O LYS A 94 1.506 2.777 12.713 1.00 0.00 O ATOM 230 CB LYS A 94 2.986 0.773 10.515 1.00 0.00 C ATOM 231 CG LYS A 94 2.907 -0.690 10.066 1.00 0.00 C ATOM 232 CD LYS A 94 4.294 -1.178 9.625 1.00 0.00 C ATOM 233 CE LYS A 94 5.182 -1.447 10.846 1.00 0.00 C ATOM 234 NZ LYS A 94 6.402 -2.193 10.415 1.00 0.00 N ATOM 0 H LYS A 94 1.242 1.016 8.771 1.00 0.00 H new ATOM 0 HA LYS A 94 1.085 0.595 11.499 1.00 0.00 H new ATOM 0 HB2 LYS A 94 3.444 1.379 9.733 1.00 0.00 H new ATOM 0 HB3 LYS A 94 3.620 0.859 11.397 1.00 0.00 H new ATOM 0 HG2 LYS A 94 2.536 -1.310 10.882 1.00 0.00 H new ATOM 0 HG3 LYS A 94 2.199 -0.789 9.243 1.00 0.00 H new ATOM 0 HD2 LYS A 94 4.195 -2.088 9.033 1.00 0.00 H new ATOM 0 HD3 LYS A 94 4.762 -0.430 8.985 1.00 0.00 H new ATOM 0 HE2 LYS A 94 5.465 -0.506 11.318 1.00 0.00 H new ATOM 0 HE3 LYS A 94 4.632 -2.024 11.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 6.452 -3.100 10.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 6.357 -2.371 9.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 7.248 -1.629 10.631 1.00 0.00 H new ATOM 248 N ASP A 95 1.972 3.688 10.711 1.00 0.00 N ATOM 249 CA ASP A 95 2.103 5.037 11.250 1.00 0.00 C ATOM 250 C ASP A 95 0.744 5.549 11.709 1.00 0.00 C ATOM 251 O ASP A 95 0.646 6.587 12.361 1.00 0.00 O ATOM 252 CB ASP A 95 2.657 5.980 10.178 1.00 0.00 C ATOM 253 CG ASP A 95 3.818 5.318 9.446 1.00 0.00 C ATOM 254 OD1 ASP A 95 4.893 5.249 10.018 1.00 0.00 O ATOM 255 OD2 ASP A 95 3.611 4.888 8.321 1.00 0.00 O ATOM 0 H ASP A 95 2.121 3.615 9.705 1.00 0.00 H new ATOM 0 HA ASP A 95 2.788 5.007 12.098 1.00 0.00 H new ATOM 0 HB2 ASP A 95 1.871 6.239 9.469 1.00 0.00 H new ATOM 0 HB3 ASP A 95 2.990 6.910 10.638 1.00 0.00 H new ATOM 260 N GLN A 96 -0.301 4.812 11.357 1.00 0.00 N ATOM 261 CA GLN A 96 -1.652 5.202 11.732 1.00 0.00 C ATOM 262 C GLN A 96 -1.929 6.644 11.311 1.00 0.00 C ATOM 263 O GLN A 96 -2.725 7.343 11.939 1.00 0.00 O ATOM 264 CB GLN A 96 -1.831 5.083 13.247 1.00 0.00 C ATOM 265 CG GLN A 96 -1.806 3.611 13.662 1.00 0.00 C ATOM 266 CD GLN A 96 -1.925 3.505 15.178 1.00 0.00 C ATOM 267 OE1 GLN A 96 -2.774 4.162 15.779 1.00 0.00 O ATOM 268 NE2 GLN A 96 -1.122 2.714 15.835 1.00 0.00 N ATOM 0 H GLN A 96 -0.240 3.949 10.817 1.00 0.00 H new ATOM 0 HA GLN A 96 -2.352 4.538 11.225 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -1.038 5.627 13.759 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -2.775 5.538 13.547 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -2.626 3.074 13.184 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -0.880 3.144 13.326 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -0.419 2.170 15.334 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -1.197 2.639 16.849 1.00 0.00 H new ATOM 277 N ASN A 97 -1.257 7.092 10.252 1.00 0.00 N ATOM 278 CA ASN A 97 -1.428 8.464 9.771 1.00 0.00 C ATOM 279 C ASN A 97 -2.600 8.569 8.798 1.00 0.00 C ATOM 280 O ASN A 97 -2.842 9.632 8.227 1.00 0.00 O ATOM 281 CB ASN A 97 -0.149 8.935 9.076 1.00 0.00 C ATOM 282 CG ASN A 97 0.111 8.092 7.833 1.00 0.00 C ATOM 283 OD1 ASN A 97 -0.377 6.967 7.732 1.00 0.00 O ATOM 284 ND2 ASN A 97 0.852 8.573 6.872 1.00 0.00 N ATOM 0 H ASN A 97 -0.595 6.532 9.714 1.00 0.00 H new ATOM 0 HA ASN A 97 -1.637 9.097 10.633 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -0.241 9.985 8.800 1.00 0.00 H new ATOM 0 HB3 ASN A 97 0.696 8.858 9.760 1.00 0.00 H new ATOM 0 HD21 ASN A 97 1.027 8.016 6.036 1.00 0.00 H new ATOM 0 HD22 ASN A 97 1.256 9.506 6.957 1.00 0.00 H new ATOM 291 N GLY A 98 -3.333 7.473 8.622 1.00 0.00 N ATOM 292 CA GLY A 98 -4.483 7.473 7.723 1.00 0.00 C ATOM 293 C GLY A 98 -4.053 7.322 6.266 1.00 0.00 C ATOM 294 O GLY A 98 -4.894 7.237 5.371 1.00 0.00 O ATOM 0 H GLY A 98 -3.154 6.582 9.085 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -5.156 6.659 7.991 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -5.041 8.401 7.845 1.00 0.00 H new ATOM 298 N TYR A 99 -2.741 7.298 6.033 1.00 0.00 N ATOM 299 CA TYR A 99 -2.195 7.161 4.677 1.00 0.00 C ATOM 300 C TYR A 99 -1.118 6.079 4.643 1.00 0.00 C ATOM 301 O TYR A 99 -0.249 6.044 5.514 1.00 0.00 O ATOM 302 CB TYR A 99 -1.582 8.493 4.234 1.00 0.00 C ATOM 303 CG TYR A 99 -2.685 9.455 3.873 1.00 0.00 C ATOM 304 CD1 TYR A 99 -3.448 10.053 4.880 1.00 0.00 C ATOM 305 CD2 TYR A 99 -2.947 9.743 2.530 1.00 0.00 C ATOM 306 CE1 TYR A 99 -4.474 10.941 4.544 1.00 0.00 C ATOM 307 CE2 TYR A 99 -3.973 10.629 2.194 1.00 0.00 C ATOM 308 CZ TYR A 99 -4.739 11.229 3.200 1.00 0.00 C ATOM 309 OH TYR A 99 -5.751 12.106 2.868 1.00 0.00 O ATOM 0 H TYR A 99 -2.034 7.371 6.764 1.00 0.00 H new ATOM 0 HA TYR A 99 -3.004 6.881 4.002 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -0.969 8.908 5.034 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -0.925 8.337 3.378 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -3.245 9.829 5.917 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -2.356 9.281 1.753 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -5.062 11.405 5.322 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -4.176 10.851 1.157 1.00 0.00 H new ATOM 0 HH TYR A 99 -5.800 12.195 1.893 1.00 0.00 H new ATOM 319 N ILE A 100 -1.152 5.216 3.627 1.00 0.00 N ATOM 320 CA ILE A 100 -0.137 4.170 3.507 1.00 0.00 C ATOM 321 C ILE A 100 1.084 4.745 2.797 1.00 0.00 C ATOM 322 O ILE A 100 0.960 5.361 1.732 1.00 0.00 O ATOM 323 CB ILE A 100 -0.670 2.964 2.728 1.00 0.00 C ATOM 324 CG1 ILE A 100 -2.001 2.499 3.335 1.00 0.00 C ATOM 325 CG2 ILE A 100 0.353 1.828 2.810 1.00 0.00 C ATOM 326 CD1 ILE A 100 -2.551 1.314 2.536 1.00 0.00 C ATOM 0 H ILE A 100 -1.856 5.219 2.889 1.00 0.00 H new ATOM 0 HA ILE A 100 0.133 3.829 4.506 1.00 0.00 H new ATOM 0 HB ILE A 100 -0.832 3.244 1.687 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -1.855 2.211 4.376 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -2.720 3.318 3.329 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -0.018 0.964 2.258 1.00 0.00 H new ATOM 0 HG22 ILE A 100 1.298 2.157 2.377 1.00 0.00 H new ATOM 0 HG23 ILE A 100 0.508 1.553 3.853 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -3.496 0.989 2.972 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -2.714 1.617 1.502 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -1.836 0.492 2.565 1.00 0.00 H new ATOM 338 N SER A 101 2.259 4.557 3.396 1.00 0.00 N ATOM 339 CA SER A 101 3.499 5.081 2.815 1.00 0.00 C ATOM 340 C SER A 101 4.229 3.995 2.044 1.00 0.00 C ATOM 341 O SER A 101 3.998 2.807 2.262 1.00 0.00 O ATOM 342 CB SER A 101 4.406 5.626 3.921 1.00 0.00 C ATOM 343 OG SER A 101 5.641 6.042 3.355 1.00 0.00 O ATOM 0 H SER A 101 2.381 4.052 4.274 1.00 0.00 H new ATOM 0 HA SER A 101 3.243 5.887 2.127 1.00 0.00 H new ATOM 0 HB2 SER A 101 3.923 6.464 4.423 1.00 0.00 H new ATOM 0 HB3 SER A 101 4.579 4.859 4.676 1.00 0.00 H new ATOM 0 HG SER A 101 6.223 6.393 4.061 1.00 0.00 H new ATOM 349 N ALA A 102 5.109 4.406 1.137 1.00 0.00 N ATOM 350 CA ALA A 102 5.857 3.443 0.345 1.00 0.00 C ATOM 351 C ALA A 102 6.520 2.428 1.263 1.00 0.00 C ATOM 352 O ALA A 102 6.533 1.233 0.971 1.00 0.00 O ATOM 353 CB ALA A 102 6.918 4.152 -0.499 1.00 0.00 C ATOM 0 H ALA A 102 5.318 5.384 0.936 1.00 0.00 H new ATOM 0 HA ALA A 102 5.167 2.929 -0.324 1.00 0.00 H new ATOM 0 HB1 ALA A 102 7.468 3.416 -1.085 1.00 0.00 H new ATOM 0 HB2 ALA A 102 6.434 4.862 -1.170 1.00 0.00 H new ATOM 0 HB3 ALA A 102 7.608 4.684 0.156 1.00 0.00 H new ATOM 359 N SER A 103 7.068 2.905 2.376 1.00 0.00 N ATOM 360 CA SER A 103 7.728 2.019 3.326 1.00 0.00 C ATOM 361 C SER A 103 6.766 0.925 3.791 1.00 0.00 C ATOM 362 O SER A 103 7.146 -0.238 3.927 1.00 0.00 O ATOM 363 CB SER A 103 8.234 2.816 4.527 1.00 0.00 C ATOM 364 OG SER A 103 9.231 3.733 4.092 1.00 0.00 O ATOM 0 H SER A 103 7.068 3.890 2.640 1.00 0.00 H new ATOM 0 HA SER A 103 8.578 1.550 2.830 1.00 0.00 H new ATOM 0 HB2 SER A 103 7.409 3.352 4.997 1.00 0.00 H new ATOM 0 HB3 SER A 103 8.645 2.142 5.279 1.00 0.00 H new ATOM 0 HG SER A 103 9.558 4.249 4.859 1.00 0.00 H new ATOM 370 N GLU A 104 5.516 1.297 4.031 1.00 0.00 N ATOM 371 CA GLU A 104 4.524 0.342 4.457 1.00 0.00 C ATOM 372 C GLU A 104 4.133 -0.587 3.307 1.00 0.00 C ATOM 373 O GLU A 104 3.906 -1.777 3.511 1.00 0.00 O ATOM 374 CB GLU A 104 3.304 1.105 4.954 1.00 0.00 C ATOM 375 CG GLU A 104 3.658 1.821 6.252 1.00 0.00 C ATOM 376 CD GLU A 104 2.411 2.446 6.856 1.00 0.00 C ATOM 377 OE1 GLU A 104 1.453 2.634 6.124 1.00 0.00 O ATOM 378 OE2 GLU A 104 2.426 2.730 8.042 1.00 0.00 O ATOM 0 H GLU A 104 5.173 2.253 3.936 1.00 0.00 H new ATOM 0 HA GLU A 104 4.933 -0.275 5.257 1.00 0.00 H new ATOM 0 HB2 GLU A 104 2.980 1.826 4.203 1.00 0.00 H new ATOM 0 HB3 GLU A 104 2.473 0.419 5.117 1.00 0.00 H new ATOM 0 HG2 GLU A 104 4.100 1.117 6.957 1.00 0.00 H new ATOM 0 HG3 GLU A 104 4.405 2.591 6.060 1.00 0.00 H new ATOM 385 N LEU A 105 4.042 -0.033 2.098 1.00 0.00 N ATOM 386 CA LEU A 105 3.651 -0.825 0.930 1.00 0.00 C ATOM 387 C LEU A 105 4.647 -1.962 0.700 1.00 0.00 C ATOM 388 O LEU A 105 4.259 -3.106 0.460 1.00 0.00 O ATOM 389 CB LEU A 105 3.601 0.089 -0.311 1.00 0.00 C ATOM 390 CG LEU A 105 2.609 -0.447 -1.369 1.00 0.00 C ATOM 391 CD1 LEU A 105 2.930 -1.905 -1.723 1.00 0.00 C ATOM 392 CD2 LEU A 105 1.158 -0.345 -0.847 1.00 0.00 C ATOM 0 H LEU A 105 4.231 0.950 1.902 1.00 0.00 H new ATOM 0 HA LEU A 105 2.666 -1.258 1.105 1.00 0.00 H new ATOM 0 HB2 LEU A 105 3.307 1.095 -0.012 1.00 0.00 H new ATOM 0 HB3 LEU A 105 4.596 0.165 -0.749 1.00 0.00 H new ATOM 0 HG LEU A 105 2.709 0.163 -2.267 1.00 0.00 H new ATOM 0 HD11 LEU A 105 2.220 -2.263 -2.469 1.00 0.00 H new ATOM 0 HD12 LEU A 105 3.941 -1.968 -2.125 1.00 0.00 H new ATOM 0 HD13 LEU A 105 2.857 -2.522 -0.827 1.00 0.00 H new ATOM 0 HD21 LEU A 105 0.472 -0.726 -1.603 1.00 0.00 H new ATOM 0 HD22 LEU A 105 1.057 -0.934 0.065 1.00 0.00 H new ATOM 0 HD23 LEU A 105 0.920 0.697 -0.634 1.00 0.00 H new ATOM 404 N ARG A 106 5.933 -1.651 0.795 1.00 0.00 N ATOM 405 CA ARG A 106 6.952 -2.673 0.605 1.00 0.00 C ATOM 406 C ARG A 106 6.928 -3.652 1.775 1.00 0.00 C ATOM 407 O ARG A 106 7.079 -4.858 1.586 1.00 0.00 O ATOM 408 CB ARG A 106 8.339 -2.035 0.456 1.00 0.00 C ATOM 409 CG ARG A 106 8.670 -1.213 1.699 1.00 0.00 C ATOM 410 CD ARG A 106 10.048 -0.577 1.539 1.00 0.00 C ATOM 411 NE ARG A 106 11.070 -1.609 1.429 1.00 0.00 N ATOM 412 CZ ARG A 106 11.577 -2.196 2.507 1.00 0.00 C ATOM 413 NH1 ARG A 106 11.147 -1.863 3.693 1.00 0.00 N ATOM 414 NH2 ARG A 106 12.501 -3.105 2.378 1.00 0.00 N ATOM 0 H ARG A 106 6.290 -0.718 0.999 1.00 0.00 H new ATOM 0 HA ARG A 106 6.736 -3.219 -0.313 1.00 0.00 H new ATOM 0 HB2 ARG A 106 9.092 -2.810 0.311 1.00 0.00 H new ATOM 0 HB3 ARG A 106 8.363 -1.398 -0.428 1.00 0.00 H new ATOM 0 HG2 ARG A 106 7.916 -0.440 1.847 1.00 0.00 H new ATOM 0 HG3 ARG A 106 8.652 -1.849 2.584 1.00 0.00 H new ATOM 0 HD2 ARG A 106 10.063 0.056 0.652 1.00 0.00 H new ATOM 0 HD3 ARG A 106 10.261 0.066 2.393 1.00 0.00 H new ATOM 0 HE ARG A 106 11.403 -1.886 0.506 1.00 0.00 H new ATOM 0 HH11 ARG A 106 10.422 -1.152 3.792 1.00 0.00 H new ATOM 0 HH12 ARG A 106 11.536 -2.313 4.521 1.00 0.00 H new ATOM 0 HH21 ARG A 106 12.834 -3.365 1.450 1.00 0.00 H new ATOM 0 HH22 ARG A 106 12.891 -3.557 3.205 1.00 0.00 H new ATOM 428 N HIS A 107 6.734 -3.128 2.983 1.00 0.00 N ATOM 429 CA HIS A 107 6.690 -3.978 4.167 1.00 0.00 C ATOM 430 C HIS A 107 5.600 -5.027 4.004 1.00 0.00 C ATOM 431 O HIS A 107 5.803 -6.199 4.318 1.00 0.00 O ATOM 432 CB HIS A 107 6.418 -3.132 5.415 1.00 0.00 C ATOM 433 CG HIS A 107 6.521 -4.000 6.639 1.00 0.00 C ATOM 434 ND1 HIS A 107 5.522 -4.045 7.600 1.00 0.00 N ATOM 435 CD2 HIS A 107 7.498 -4.860 7.072 1.00 0.00 C ATOM 436 CE1 HIS A 107 5.919 -4.908 8.555 1.00 0.00 C ATOM 437 NE2 HIS A 107 7.116 -5.433 8.282 1.00 0.00 N ATOM 0 H HIS A 107 6.606 -2.133 3.166 1.00 0.00 H new ATOM 0 HA HIS A 107 7.653 -4.475 4.284 1.00 0.00 H new ATOM 0 HB2 HIS A 107 7.134 -2.313 5.475 1.00 0.00 H new ATOM 0 HB3 HIS A 107 5.426 -2.685 5.355 1.00 0.00 H new ATOM 0 HD2 HIS A 107 8.423 -5.062 6.553 1.00 0.00 H new ATOM 0 HE1 HIS A 107 5.340 -5.146 9.435 1.00 0.00 H new ATOM 0 HE2 HIS A 107 7.638 -6.109 8.840 1.00 0.00 H new ATOM 446 N VAL A 108 4.447 -4.606 3.494 1.00 0.00 N ATOM 447 CA VAL A 108 3.345 -5.531 3.278 1.00 0.00 C ATOM 448 C VAL A 108 3.723 -6.556 2.212 1.00 0.00 C ATOM 449 O VAL A 108 3.459 -7.745 2.363 1.00 0.00 O ATOM 450 CB VAL A 108 2.088 -4.768 2.850 1.00 0.00 C ATOM 451 CG1 VAL A 108 1.006 -5.757 2.406 1.00 0.00 C ATOM 452 CG2 VAL A 108 1.565 -3.956 4.036 1.00 0.00 C ATOM 0 H VAL A 108 4.254 -3.641 3.226 1.00 0.00 H new ATOM 0 HA VAL A 108 3.137 -6.052 4.213 1.00 0.00 H new ATOM 0 HB VAL A 108 2.334 -4.104 2.021 1.00 0.00 H new ATOM 0 HG11 VAL A 108 0.114 -5.209 2.103 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.374 -6.345 1.565 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.759 -6.422 3.234 1.00 0.00 H new ATOM 0 HG21 VAL A 108 0.670 -3.411 3.737 1.00 0.00 H new ATOM 0 HG22 VAL A 108 1.322 -4.629 4.859 1.00 0.00 H new ATOM 0 HG23 VAL A 108 2.330 -3.249 4.359 1.00 0.00 H new ATOM 462 N MET A 109 4.337 -6.089 1.130 1.00 0.00 N ATOM 463 CA MET A 109 4.727 -6.990 0.053 1.00 0.00 C ATOM 464 C MET A 109 5.704 -8.044 0.571 1.00 0.00 C ATOM 465 O MET A 109 5.588 -9.222 0.235 1.00 0.00 O ATOM 466 CB MET A 109 5.376 -6.195 -1.090 1.00 0.00 C ATOM 467 CG MET A 109 4.292 -5.504 -1.924 1.00 0.00 C ATOM 468 SD MET A 109 3.354 -6.747 -2.848 1.00 0.00 S ATOM 469 CE MET A 109 1.826 -5.795 -3.024 1.00 0.00 C ATOM 0 H MET A 109 4.572 -5.108 0.977 1.00 0.00 H new ATOM 0 HA MET A 109 3.835 -7.491 -0.322 1.00 0.00 H new ATOM 0 HB2 MET A 109 6.063 -5.453 -0.684 1.00 0.00 H new ATOM 0 HB3 MET A 109 5.963 -6.862 -1.721 1.00 0.00 H new ATOM 0 HG2 MET A 109 3.624 -4.938 -1.274 1.00 0.00 H new ATOM 0 HG3 MET A 109 4.747 -4.791 -2.612 1.00 0.00 H new ATOM 0 HE1 MET A 109 1.092 -6.383 -3.575 1.00 0.00 H new ATOM 0 HE2 MET A 109 1.431 -5.555 -2.037 1.00 0.00 H new ATOM 0 HE3 MET A 109 2.033 -4.872 -3.566 1.00 0.00 H new ATOM 479 N ILE A 110 6.653 -7.622 1.402 1.00 0.00 N ATOM 480 CA ILE A 110 7.623 -8.557 1.963 1.00 0.00 C ATOM 481 C ILE A 110 6.916 -9.559 2.874 1.00 0.00 C ATOM 482 O ILE A 110 7.191 -10.758 2.830 1.00 0.00 O ATOM 483 CB ILE A 110 8.696 -7.801 2.748 1.00 0.00 C ATOM 484 CG1 ILE A 110 9.539 -6.974 1.775 1.00 0.00 C ATOM 485 CG2 ILE A 110 9.598 -8.800 3.479 1.00 0.00 C ATOM 486 CD1 ILE A 110 10.436 -6.015 2.560 1.00 0.00 C ATOM 0 H ILE A 110 6.771 -6.653 1.698 1.00 0.00 H new ATOM 0 HA ILE A 110 8.103 -9.097 1.146 1.00 0.00 H new ATOM 0 HB ILE A 110 8.221 -7.144 3.476 1.00 0.00 H new ATOM 0 HG12 ILE A 110 10.148 -7.632 1.155 1.00 0.00 H new ATOM 0 HG13 ILE A 110 8.890 -6.413 1.102 1.00 0.00 H new ATOM 0 HG21 ILE A 110 10.362 -8.259 4.038 1.00 0.00 H new ATOM 0 HG22 ILE A 110 8.998 -9.396 4.167 1.00 0.00 H new ATOM 0 HG23 ILE A 110 10.077 -9.457 2.753 1.00 0.00 H new ATOM 0 HD11 ILE A 110 11.036 -5.427 1.865 1.00 0.00 H new ATOM 0 HD12 ILE A 110 9.818 -5.348 3.161 1.00 0.00 H new ATOM 0 HD13 ILE A 110 11.095 -6.586 3.214 1.00 0.00 H new ATOM 498 N ASN A 111 6.003 -9.055 3.696 1.00 0.00 N ATOM 499 CA ASN A 111 5.256 -9.910 4.611 1.00 0.00 C ATOM 500 C ASN A 111 4.469 -10.957 3.832 1.00 0.00 C ATOM 501 O ASN A 111 4.285 -12.080 4.297 1.00 0.00 O ATOM 502 CB ASN A 111 4.299 -9.069 5.459 1.00 0.00 C ATOM 503 CG ASN A 111 3.394 -9.976 6.291 1.00 0.00 C ATOM 504 OD1 ASN A 111 3.792 -11.081 6.660 1.00 0.00 O ATOM 505 ND2 ASN A 111 2.191 -9.577 6.607 1.00 0.00 N ATOM 0 H ASN A 111 5.763 -8.065 3.748 1.00 0.00 H new ATOM 0 HA ASN A 111 5.964 -10.415 5.268 1.00 0.00 H new ATOM 0 HB2 ASN A 111 4.867 -8.409 6.115 1.00 0.00 H new ATOM 0 HB3 ASN A 111 3.694 -8.432 4.814 1.00 0.00 H new ATOM 0 HD21 ASN A 111 1.582 -10.181 7.159 1.00 0.00 H new ATOM 0 HD22 ASN A 111 1.861 -8.662 6.302 1.00 0.00 H new ATOM 512 N LEU A 112 4.011 -10.582 2.644 1.00 0.00 N ATOM 513 CA LEU A 112 3.248 -11.502 1.804 1.00 0.00 C ATOM 514 C LEU A 112 4.178 -12.414 1.002 1.00 0.00 C ATOM 515 O LEU A 112 3.721 -13.283 0.261 1.00 0.00 O ATOM 516 CB LEU A 112 2.339 -10.705 0.848 1.00 0.00 C ATOM 517 CG LEU A 112 0.938 -10.485 1.460 1.00 0.00 C ATOM 518 CD1 LEU A 112 0.137 -11.801 1.444 1.00 0.00 C ATOM 519 CD2 LEU A 112 1.062 -9.972 2.904 1.00 0.00 C ATOM 0 H LEU A 112 4.152 -9.656 2.241 1.00 0.00 H new ATOM 0 HA LEU A 112 2.634 -12.128 2.451 1.00 0.00 H new ATOM 0 HB2 LEU A 112 2.797 -9.741 0.626 1.00 0.00 H new ATOM 0 HB3 LEU A 112 2.245 -11.239 -0.098 1.00 0.00 H new ATOM 0 HG LEU A 112 0.413 -9.740 0.862 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -0.849 -11.632 1.878 1.00 0.00 H new ATOM 0 HD12 LEU A 112 0.027 -12.147 0.416 1.00 0.00 H new ATOM 0 HD13 LEU A 112 0.666 -12.556 2.026 1.00 0.00 H new ATOM 0 HD21 LEU A 112 0.067 -9.821 3.323 1.00 0.00 H new ATOM 0 HD22 LEU A 112 1.602 -10.704 3.505 1.00 0.00 H new ATOM 0 HD23 LEU A 112 1.605 -9.027 2.909 1.00 0.00 H new ATOM 531 N GLY A 113 5.475 -12.210 1.158 1.00 0.00 N ATOM 532 CA GLY A 113 6.463 -13.020 0.444 1.00 0.00 C ATOM 533 C GLY A 113 6.752 -12.443 -0.934 1.00 0.00 C ATOM 534 O GLY A 113 7.256 -13.138 -1.816 1.00 0.00 O ATOM 0 H GLY A 113 5.873 -11.496 1.768 1.00 0.00 H new ATOM 0 HA2 GLY A 113 7.386 -13.067 1.023 1.00 0.00 H new ATOM 0 HA3 GLY A 113 6.097 -14.042 0.344 1.00 0.00 H new ATOM 538 N GLU A 114 6.436 -11.162 -1.109 1.00 0.00 N ATOM 539 CA GLU A 114 6.670 -10.476 -2.382 1.00 0.00 C ATOM 540 C GLU A 114 7.660 -9.335 -2.178 1.00 0.00 C ATOM 541 O GLU A 114 7.513 -8.534 -1.257 1.00 0.00 O ATOM 542 CB GLU A 114 5.354 -9.914 -2.925 1.00 0.00 C ATOM 543 CG GLU A 114 4.378 -11.059 -3.213 1.00 0.00 C ATOM 544 CD GLU A 114 4.921 -11.950 -4.326 1.00 0.00 C ATOM 545 OE1 GLU A 114 5.785 -11.493 -5.057 1.00 0.00 O ATOM 546 OE2 GLU A 114 4.462 -13.076 -4.434 1.00 0.00 O ATOM 0 H GLU A 114 6.017 -10.576 -0.387 1.00 0.00 H new ATOM 0 HA GLU A 114 7.078 -11.190 -3.097 1.00 0.00 H new ATOM 0 HB2 GLU A 114 4.917 -9.225 -2.202 1.00 0.00 H new ATOM 0 HB3 GLU A 114 5.540 -9.345 -3.836 1.00 0.00 H new ATOM 0 HG2 GLU A 114 4.222 -11.648 -2.310 1.00 0.00 H new ATOM 0 HG3 GLU A 114 3.408 -10.655 -3.502 1.00 0.00 H new ATOM 553 N LYS A 115 8.676 -9.273 -3.034 1.00 0.00 N ATOM 554 CA LYS A 115 9.695 -8.225 -2.932 1.00 0.00 C ATOM 555 C LYS A 115 10.021 -7.657 -4.309 1.00 0.00 C ATOM 556 O LYS A 115 10.518 -8.363 -5.183 1.00 0.00 O ATOM 557 CB LYS A 115 10.965 -8.804 -2.293 1.00 0.00 C ATOM 558 CG LYS A 115 11.486 -9.978 -3.134 1.00 0.00 C ATOM 559 CD LYS A 115 12.407 -10.855 -2.281 1.00 0.00 C ATOM 560 CE LYS A 115 13.571 -10.014 -1.752 1.00 0.00 C ATOM 561 NZ LYS A 115 14.118 -9.173 -2.853 1.00 0.00 N ATOM 0 H LYS A 115 8.818 -9.929 -3.802 1.00 0.00 H new ATOM 0 HA LYS A 115 9.308 -7.419 -2.309 1.00 0.00 H new ATOM 0 HB2 LYS A 115 11.730 -8.031 -2.219 1.00 0.00 H new ATOM 0 HB3 LYS A 115 10.751 -9.139 -1.278 1.00 0.00 H new ATOM 0 HG2 LYS A 115 10.650 -10.569 -3.509 1.00 0.00 H new ATOM 0 HG3 LYS A 115 12.027 -9.604 -4.003 1.00 0.00 H new ATOM 0 HD2 LYS A 115 11.849 -11.285 -1.450 1.00 0.00 H new ATOM 0 HD3 LYS A 115 12.786 -11.687 -2.875 1.00 0.00 H new ATOM 0 HE2 LYS A 115 13.233 -9.382 -0.931 1.00 0.00 H new ATOM 0 HE3 LYS A 115 14.351 -10.663 -1.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 15.116 -8.954 -2.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 14.045 -9.689 -3.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 13.575 -8.288 -2.916 1.00 0.00 H new ATOM 575 N LEU A 116 9.728 -6.372 -4.498 1.00 0.00 N ATOM 576 CA LEU A 116 9.988 -5.702 -5.774 1.00 0.00 C ATOM 577 C LEU A 116 11.064 -4.639 -5.586 1.00 0.00 C ATOM 578 O LEU A 116 11.343 -4.224 -4.461 1.00 0.00 O ATOM 579 CB LEU A 116 8.703 -5.050 -6.302 1.00 0.00 C ATOM 580 CG LEU A 116 7.502 -6.017 -6.140 1.00 0.00 C ATOM 581 CD1 LEU A 116 6.766 -5.725 -4.825 1.00 0.00 C ATOM 582 CD2 LEU A 116 6.520 -5.833 -7.305 1.00 0.00 C ATOM 0 H LEU A 116 9.311 -5.773 -3.786 1.00 0.00 H new ATOM 0 HA LEU A 116 10.332 -6.441 -6.498 1.00 0.00 H new ATOM 0 HB2 LEU A 116 8.508 -4.124 -5.761 1.00 0.00 H new ATOM 0 HB3 LEU A 116 8.826 -4.786 -7.352 1.00 0.00 H new ATOM 0 HG LEU A 116 7.879 -7.040 -6.132 1.00 0.00 H new ATOM 0 HD11 LEU A 116 5.924 -6.409 -4.720 1.00 0.00 H new ATOM 0 HD12 LEU A 116 7.450 -5.860 -3.987 1.00 0.00 H new ATOM 0 HD13 LEU A 116 6.401 -4.698 -4.833 1.00 0.00 H new ATOM 0 HD21 LEU A 116 5.679 -6.516 -7.184 1.00 0.00 H new ATOM 0 HD22 LEU A 116 6.155 -4.806 -7.314 1.00 0.00 H new ATOM 0 HD23 LEU A 116 7.028 -6.046 -8.246 1.00 0.00 H new ATOM 594 N THR A 117 11.673 -4.202 -6.683 1.00 0.00 N ATOM 595 CA THR A 117 12.717 -3.190 -6.588 1.00 0.00 C ATOM 596 C THR A 117 12.096 -1.854 -6.202 1.00 0.00 C ATOM 597 O THR A 117 10.875 -1.698 -6.240 1.00 0.00 O ATOM 598 CB THR A 117 13.459 -3.063 -7.921 1.00 0.00 C ATOM 599 OG1 THR A 117 12.521 -2.916 -8.972 1.00 0.00 O ATOM 600 CG2 THR A 117 14.298 -4.320 -8.164 1.00 0.00 C ATOM 0 H THR A 117 11.468 -4.524 -7.629 1.00 0.00 H new ATOM 0 HA THR A 117 13.434 -3.488 -5.823 1.00 0.00 H new ATOM 0 HB THR A 117 14.112 -2.191 -7.888 1.00 0.00 H new ATOM 0 HG1 THR A 117 12.996 -2.833 -9.825 1.00 0.00 H new ATOM 0 HG21 THR A 117 14.825 -4.228 -9.113 1.00 0.00 H new ATOM 0 HG22 THR A 117 15.021 -4.436 -7.357 1.00 0.00 H new ATOM 0 HG23 THR A 117 13.646 -5.193 -8.195 1.00 0.00 H new ATOM 608 N ASP A 118 12.929 -0.894 -5.822 1.00 0.00 N ATOM 609 CA ASP A 118 12.423 0.412 -5.423 1.00 0.00 C ATOM 610 C ASP A 118 11.713 1.087 -6.590 1.00 0.00 C ATOM 611 O ASP A 118 10.683 1.737 -6.409 1.00 0.00 O ATOM 612 CB ASP A 118 13.567 1.298 -4.931 1.00 0.00 C ATOM 613 CG ASP A 118 14.050 0.811 -3.568 1.00 0.00 C ATOM 614 OD1 ASP A 118 13.410 -0.066 -3.011 1.00 0.00 O ATOM 615 OD2 ASP A 118 15.057 1.321 -3.102 1.00 0.00 O ATOM 0 H ASP A 118 13.943 -0.992 -5.782 1.00 0.00 H new ATOM 0 HA ASP A 118 11.710 0.270 -4.611 1.00 0.00 H new ATOM 0 HB2 ASP A 118 14.389 1.277 -5.647 1.00 0.00 H new ATOM 0 HB3 ASP A 118 13.233 2.333 -4.860 1.00 0.00 H new ATOM 620 N GLU A 119 12.265 0.930 -7.788 1.00 0.00 N ATOM 621 CA GLU A 119 11.668 1.529 -8.974 1.00 0.00 C ATOM 622 C GLU A 119 10.289 0.934 -9.242 1.00 0.00 C ATOM 623 O GLU A 119 9.378 1.634 -9.689 1.00 0.00 O ATOM 624 CB GLU A 119 12.569 1.306 -10.186 1.00 0.00 C ATOM 625 CG GLU A 119 13.872 2.103 -10.010 1.00 0.00 C ATOM 626 CD GLU A 119 14.853 1.330 -9.133 1.00 0.00 C ATOM 627 OE1 GLU A 119 14.473 0.286 -8.627 1.00 0.00 O ATOM 628 OE2 GLU A 119 15.970 1.795 -8.978 1.00 0.00 O ATOM 0 H GLU A 119 13.117 0.398 -7.962 1.00 0.00 H new ATOM 0 HA GLU A 119 11.559 2.599 -8.798 1.00 0.00 H new ATOM 0 HB2 GLU A 119 12.792 0.245 -10.297 1.00 0.00 H new ATOM 0 HB3 GLU A 119 12.058 1.621 -11.096 1.00 0.00 H new ATOM 0 HG2 GLU A 119 14.321 2.298 -10.984 1.00 0.00 H new ATOM 0 HG3 GLU A 119 13.656 3.071 -9.559 1.00 0.00 H new ATOM 635 N GLU A 120 10.132 -0.354 -8.945 1.00 0.00 N ATOM 636 CA GLU A 120 8.848 -1.017 -9.142 1.00 0.00 C ATOM 637 C GLU A 120 7.834 -0.521 -8.117 1.00 0.00 C ATOM 638 O GLU A 120 6.706 -0.177 -8.466 1.00 0.00 O ATOM 639 CB GLU A 120 9.021 -2.533 -9.009 1.00 0.00 C ATOM 640 CG GLU A 120 9.794 -3.068 -10.217 1.00 0.00 C ATOM 641 CD GLU A 120 10.121 -4.547 -10.025 1.00 0.00 C ATOM 642 OE1 GLU A 120 10.554 -4.905 -8.945 1.00 0.00 O ATOM 643 OE2 GLU A 120 9.940 -5.298 -10.971 1.00 0.00 O ATOM 0 H GLU A 120 10.869 -0.952 -8.572 1.00 0.00 H new ATOM 0 HA GLU A 120 8.481 -0.782 -10.141 1.00 0.00 H new ATOM 0 HB2 GLU A 120 9.555 -2.769 -8.089 1.00 0.00 H new ATOM 0 HB3 GLU A 120 8.046 -3.016 -8.945 1.00 0.00 H new ATOM 0 HG2 GLU A 120 9.204 -2.934 -11.123 1.00 0.00 H new ATOM 0 HG3 GLU A 120 10.714 -2.499 -10.349 1.00 0.00 H new ATOM 650 N VAL A 121 8.245 -0.475 -6.852 1.00 0.00 N ATOM 651 CA VAL A 121 7.356 -0.009 -5.796 1.00 0.00 C ATOM 652 C VAL A 121 7.009 1.458 -6.017 1.00 0.00 C ATOM 653 O VAL A 121 5.845 1.846 -5.947 1.00 0.00 O ATOM 654 CB VAL A 121 8.022 -0.182 -4.428 1.00 0.00 C ATOM 655 CG1 VAL A 121 7.131 0.421 -3.337 1.00 0.00 C ATOM 656 CG2 VAL A 121 8.227 -1.673 -4.146 1.00 0.00 C ATOM 0 H VAL A 121 9.175 -0.751 -6.538 1.00 0.00 H new ATOM 0 HA VAL A 121 6.442 -0.602 -5.822 1.00 0.00 H new ATOM 0 HB VAL A 121 8.985 0.328 -4.431 1.00 0.00 H new ATOM 0 HG11 VAL A 121 7.609 0.295 -2.366 1.00 0.00 H new ATOM 0 HG12 VAL A 121 6.983 1.483 -3.534 1.00 0.00 H new ATOM 0 HG13 VAL A 121 6.166 -0.086 -3.334 1.00 0.00 H new ATOM 0 HG21 VAL A 121 8.701 -1.797 -3.172 1.00 0.00 H new ATOM 0 HG22 VAL A 121 7.262 -2.180 -4.147 1.00 0.00 H new ATOM 0 HG23 VAL A 121 8.864 -2.105 -4.918 1.00 0.00 H new ATOM 666 N GLU A 122 8.026 2.268 -6.291 1.00 0.00 N ATOM 667 CA GLU A 122 7.808 3.691 -6.521 1.00 0.00 C ATOM 668 C GLU A 122 6.830 3.883 -7.671 1.00 0.00 C ATOM 669 O GLU A 122 5.992 4.785 -7.642 1.00 0.00 O ATOM 670 CB GLU A 122 9.134 4.391 -6.840 1.00 0.00 C ATOM 671 CG GLU A 122 8.900 5.899 -6.981 1.00 0.00 C ATOM 672 CD GLU A 122 10.224 6.611 -7.240 1.00 0.00 C ATOM 673 OE1 GLU A 122 11.256 5.997 -7.028 1.00 0.00 O ATOM 674 OE2 GLU A 122 10.185 7.761 -7.647 1.00 0.00 O ATOM 0 H GLU A 122 8.999 1.968 -6.359 1.00 0.00 H new ATOM 0 HA GLU A 122 7.391 4.133 -5.616 1.00 0.00 H new ATOM 0 HB2 GLU A 122 9.858 4.198 -6.049 1.00 0.00 H new ATOM 0 HB3 GLU A 122 9.555 3.991 -7.762 1.00 0.00 H new ATOM 0 HG2 GLU A 122 8.207 6.093 -7.800 1.00 0.00 H new ATOM 0 HG3 GLU A 122 8.439 6.290 -6.074 1.00 0.00 H new ATOM 681 N GLN A 123 6.932 3.025 -8.681 1.00 0.00 N ATOM 682 CA GLN A 123 6.036 3.112 -9.827 1.00 0.00 C ATOM 683 C GLN A 123 4.598 2.817 -9.398 1.00 0.00 C ATOM 684 O GLN A 123 3.666 3.496 -9.826 1.00 0.00 O ATOM 685 CB GLN A 123 6.473 2.123 -10.915 1.00 0.00 C ATOM 686 CG GLN A 123 5.556 2.260 -12.137 1.00 0.00 C ATOM 687 CD GLN A 123 6.011 1.314 -13.243 1.00 0.00 C ATOM 688 OE1 GLN A 123 6.305 0.148 -12.983 1.00 0.00 O ATOM 689 NE2 GLN A 123 6.084 1.750 -14.472 1.00 0.00 N ATOM 0 H GLN A 123 7.617 2.271 -8.729 1.00 0.00 H new ATOM 0 HA GLN A 123 6.082 4.124 -10.230 1.00 0.00 H new ATOM 0 HB2 GLN A 123 7.507 2.316 -11.201 1.00 0.00 H new ATOM 0 HB3 GLN A 123 6.433 1.104 -10.531 1.00 0.00 H new ATOM 0 HG2 GLN A 123 4.527 2.035 -11.856 1.00 0.00 H new ATOM 0 HG3 GLN A 123 5.570 3.288 -12.499 1.00 0.00 H new ATOM 0 HE21 GLN A 123 5.840 2.717 -14.685 1.00 0.00 H new ATOM 0 HE22 GLN A 123 6.385 1.123 -15.218 1.00 0.00 H new ATOM 698 N MET A 124 4.424 1.806 -8.550 1.00 0.00 N ATOM 699 CA MET A 124 3.104 1.445 -8.078 1.00 0.00 C ATOM 700 C MET A 124 2.515 2.559 -7.217 1.00 0.00 C ATOM 701 O MET A 124 1.340 2.896 -7.345 1.00 0.00 O ATOM 702 CB MET A 124 3.206 0.158 -7.266 1.00 0.00 C ATOM 703 CG MET A 124 3.576 -1.006 -8.188 1.00 0.00 C ATOM 704 SD MET A 124 2.208 -1.361 -9.323 1.00 0.00 S ATOM 705 CE MET A 124 1.289 -2.482 -8.237 1.00 0.00 C ATOM 0 H MET A 124 5.180 1.229 -8.181 1.00 0.00 H new ATOM 0 HA MET A 124 2.446 1.295 -8.934 1.00 0.00 H new ATOM 0 HB2 MET A 124 3.958 0.268 -6.484 1.00 0.00 H new ATOM 0 HB3 MET A 124 2.257 -0.046 -6.769 1.00 0.00 H new ATOM 0 HG2 MET A 124 4.474 -0.760 -8.754 1.00 0.00 H new ATOM 0 HG3 MET A 124 3.806 -1.891 -7.595 1.00 0.00 H new ATOM 0 HE1 MET A 124 0.390 -2.828 -8.748 1.00 0.00 H new ATOM 0 HE2 MET A 124 1.915 -3.338 -7.984 1.00 0.00 H new ATOM 0 HE3 MET A 124 1.008 -1.956 -7.325 1.00 0.00 H new ATOM 715 N ILE A 125 3.338 3.131 -6.343 1.00 0.00 N ATOM 716 CA ILE A 125 2.875 4.209 -5.475 1.00 0.00 C ATOM 717 C ILE A 125 2.482 5.415 -6.324 1.00 0.00 C ATOM 718 O ILE A 125 1.437 6.026 -6.117 1.00 0.00 O ATOM 719 CB ILE A 125 3.998 4.607 -4.506 1.00 0.00 C ATOM 720 CG1 ILE A 125 4.314 3.441 -3.542 1.00 0.00 C ATOM 721 CG2 ILE A 125 3.591 5.854 -3.710 1.00 0.00 C ATOM 722 CD1 ILE A 125 3.086 3.052 -2.707 1.00 0.00 C ATOM 0 H ILE A 125 4.316 2.871 -6.217 1.00 0.00 H new ATOM 0 HA ILE A 125 2.010 3.869 -4.906 1.00 0.00 H new ATOM 0 HB ILE A 125 4.894 4.834 -5.084 1.00 0.00 H new ATOM 0 HG12 ILE A 125 4.655 2.578 -4.113 1.00 0.00 H new ATOM 0 HG13 ILE A 125 5.130 3.727 -2.879 1.00 0.00 H new ATOM 0 HG21 ILE A 125 4.394 6.127 -3.026 1.00 0.00 H new ATOM 0 HG22 ILE A 125 3.403 6.679 -4.397 1.00 0.00 H new ATOM 0 HG23 ILE A 125 2.686 5.643 -3.140 1.00 0.00 H new ATOM 0 HD11 ILE A 125 3.345 2.229 -2.041 1.00 0.00 H new ATOM 0 HD12 ILE A 125 2.761 3.909 -2.117 1.00 0.00 H new ATOM 0 HD13 ILE A 125 2.279 2.741 -3.370 1.00 0.00 H new ATOM 734 N LYS A 126 3.338 5.737 -7.284 1.00 0.00 N ATOM 735 CA LYS A 126 3.090 6.861 -8.181 1.00 0.00 C ATOM 736 C LYS A 126 1.888 6.588 -9.072 1.00 0.00 C ATOM 737 O LYS A 126 1.052 7.465 -9.294 1.00 0.00 O ATOM 738 CB LYS A 126 4.324 7.115 -9.039 1.00 0.00 C ATOM 739 CG LYS A 126 5.495 7.582 -8.158 1.00 0.00 C ATOM 740 CD LYS A 126 5.393 9.089 -7.880 1.00 0.00 C ATOM 741 CE LYS A 126 6.624 9.542 -7.091 1.00 0.00 C ATOM 742 NZ LYS A 126 6.680 8.804 -5.797 1.00 0.00 N ATOM 0 H LYS A 126 4.209 5.238 -7.463 1.00 0.00 H new ATOM 0 HA LYS A 126 2.877 7.744 -7.579 1.00 0.00 H new ATOM 0 HB2 LYS A 126 4.600 6.205 -9.571 1.00 0.00 H new ATOM 0 HB3 LYS A 126 4.103 7.870 -9.793 1.00 0.00 H new ATOM 0 HG2 LYS A 126 5.492 7.032 -7.217 1.00 0.00 H new ATOM 0 HG3 LYS A 126 6.441 7.361 -8.653 1.00 0.00 H new ATOM 0 HD2 LYS A 126 5.325 9.640 -8.818 1.00 0.00 H new ATOM 0 HD3 LYS A 126 4.485 9.306 -7.317 1.00 0.00 H new ATOM 0 HE2 LYS A 126 7.529 9.355 -7.669 1.00 0.00 H new ATOM 0 HE3 LYS A 126 6.578 10.616 -6.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 7.311 9.304 -5.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 5.726 8.749 -5.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 7.043 7.843 -5.961 1.00 0.00 H new ATOM 756 N GLU A 127 1.812 5.370 -9.581 1.00 0.00 N ATOM 757 CA GLU A 127 0.713 4.981 -10.454 1.00 0.00 C ATOM 758 C GLU A 127 -0.587 4.873 -9.672 1.00 0.00 C ATOM 759 O GLU A 127 -1.662 5.192 -10.180 1.00 0.00 O ATOM 760 CB GLU A 127 1.021 3.637 -11.093 1.00 0.00 C ATOM 761 CG GLU A 127 -0.034 3.325 -12.156 1.00 0.00 C ATOM 762 CD GLU A 127 0.299 2.012 -12.858 1.00 0.00 C ATOM 763 OE1 GLU A 127 1.141 1.289 -12.353 1.00 0.00 O ATOM 764 OE2 GLU A 127 -0.291 1.753 -13.894 1.00 0.00 O ATOM 0 H GLU A 127 2.496 4.634 -9.406 1.00 0.00 H new ATOM 0 HA GLU A 127 0.599 5.745 -11.223 1.00 0.00 H new ATOM 0 HB2 GLU A 127 2.013 3.655 -11.544 1.00 0.00 H new ATOM 0 HB3 GLU A 127 1.030 2.855 -10.334 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -1.019 3.259 -11.693 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -0.078 4.135 -12.884 1.00 0.00 H new ATOM 771 N ALA A 128 -0.482 4.398 -8.438 1.00 0.00 N ATOM 772 CA ALA A 128 -1.664 4.227 -7.593 1.00 0.00 C ATOM 773 C ALA A 128 -2.132 5.558 -7.018 1.00 0.00 C ATOM 774 O ALA A 128 -3.315 5.743 -6.748 1.00 0.00 O ATOM 775 CB ALA A 128 -1.363 3.261 -6.444 1.00 0.00 C ATOM 0 H ALA A 128 0.398 4.126 -8.000 1.00 0.00 H new ATOM 0 HA ALA A 128 -2.457 3.818 -8.219 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -2.252 3.144 -5.824 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -1.074 2.292 -6.850 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -0.548 3.658 -5.838 1.00 0.00 H new ATOM 781 N ASP A 129 -1.200 6.478 -6.824 1.00 0.00 N ATOM 782 CA ASP A 129 -1.537 7.781 -6.260 1.00 0.00 C ATOM 783 C ASP A 129 -2.309 8.636 -7.232 1.00 0.00 C ATOM 784 O ASP A 129 -1.753 9.184 -8.184 1.00 0.00 O ATOM 785 CB ASP A 129 -0.278 8.525 -5.862 1.00 0.00 C ATOM 786 CG ASP A 129 -0.629 9.778 -5.070 1.00 0.00 C ATOM 787 OD1 ASP A 129 -1.691 9.799 -4.465 1.00 0.00 O ATOM 788 OD2 ASP A 129 0.170 10.701 -5.079 1.00 0.00 O ATOM 0 H ASP A 129 -0.212 6.351 -7.045 1.00 0.00 H new ATOM 0 HA ASP A 129 -2.161 7.593 -5.386 1.00 0.00 H new ATOM 0 HB2 ASP A 129 0.362 7.876 -5.264 1.00 0.00 H new ATOM 0 HB3 ASP A 129 0.288 8.797 -6.753 1.00 0.00 H new ATOM 793 N LEU A 130 -3.594 8.756 -6.973 1.00 0.00 N ATOM 794 CA LEU A 130 -4.460 9.565 -7.817 1.00 0.00 C ATOM 795 C LEU A 130 -4.474 11.028 -7.370 1.00 0.00 C ATOM 796 O LEU A 130 -4.700 11.926 -8.180 1.00 0.00 O ATOM 797 CB LEU A 130 -5.890 9.010 -7.805 1.00 0.00 C ATOM 798 CG LEU A 130 -6.785 9.810 -8.770 1.00 0.00 C ATOM 799 CD1 LEU A 130 -6.252 9.708 -10.208 1.00 0.00 C ATOM 800 CD2 LEU A 130 -8.211 9.250 -8.710 1.00 0.00 C ATOM 0 H LEU A 130 -4.065 8.306 -6.188 1.00 0.00 H new ATOM 0 HA LEU A 130 -4.061 9.521 -8.831 1.00 0.00 H new ATOM 0 HB2 LEU A 130 -5.881 7.959 -8.094 1.00 0.00 H new ATOM 0 HB3 LEU A 130 -6.298 9.060 -6.795 1.00 0.00 H new ATOM 0 HG LEU A 130 -6.783 10.859 -8.472 1.00 0.00 H new ATOM 0 HD11 LEU A 130 -6.896 10.279 -10.876 1.00 0.00 H new ATOM 0 HD12 LEU A 130 -5.239 10.109 -10.250 1.00 0.00 H new ATOM 0 HD13 LEU A 130 -6.242 8.663 -10.519 1.00 0.00 H new ATOM 0 HD21 LEU A 130 -8.851 9.811 -9.391 1.00 0.00 H new ATOM 0 HD22 LEU A 130 -8.202 8.200 -9.003 1.00 0.00 H new ATOM 0 HD23 LEU A 130 -8.595 9.340 -7.694 1.00 0.00 H new ATOM 812 N ASP A 131 -4.265 11.263 -6.075 1.00 0.00 N ATOM 813 CA ASP A 131 -4.292 12.627 -5.545 1.00 0.00 C ATOM 814 C ASP A 131 -2.985 13.363 -5.818 1.00 0.00 C ATOM 815 O ASP A 131 -2.905 14.578 -5.633 1.00 0.00 O ATOM 816 CB ASP A 131 -4.533 12.596 -4.036 1.00 0.00 C ATOM 817 CG ASP A 131 -5.763 11.755 -3.718 1.00 0.00 C ATOM 818 OD1 ASP A 131 -6.817 12.057 -4.252 1.00 0.00 O ATOM 819 OD2 ASP A 131 -5.631 10.818 -2.947 1.00 0.00 O ATOM 0 H ASP A 131 -4.078 10.539 -5.382 1.00 0.00 H new ATOM 0 HA ASP A 131 -5.101 13.156 -6.048 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -3.660 12.184 -3.529 1.00 0.00 H new ATOM 0 HB3 ASP A 131 -4.670 13.610 -3.661 1.00 0.00 H new ATOM 824 N GLY A 132 -1.963 12.639 -6.258 1.00 0.00 N ATOM 825 CA GLY A 132 -0.677 13.263 -6.545 1.00 0.00 C ATOM 826 C GLY A 132 0.021 13.715 -5.262 1.00 0.00 C ATOM 827 O GLY A 132 0.878 14.597 -5.296 1.00 0.00 O ATOM 0 H GLY A 132 -1.997 11.633 -6.422 1.00 0.00 H new ATOM 0 HA2 GLY A 132 -0.040 12.558 -7.079 1.00 0.00 H new ATOM 0 HA3 GLY A 132 -0.825 14.120 -7.202 1.00 0.00 H new ATOM 831 N ASP A 133 -0.347 13.112 -4.128 1.00 0.00 N ATOM 832 CA ASP A 133 0.266 13.476 -2.845 1.00 0.00 C ATOM 833 C ASP A 133 1.507 12.625 -2.583 1.00 0.00 C ATOM 834 O ASP A 133 2.325 12.951 -1.724 1.00 0.00 O ATOM 835 CB ASP A 133 -0.735 13.277 -1.706 1.00 0.00 C ATOM 836 CG ASP A 133 -1.252 11.844 -1.704 1.00 0.00 C ATOM 837 OD1 ASP A 133 -0.969 11.131 -2.652 1.00 0.00 O ATOM 838 OD2 ASP A 133 -1.928 11.481 -0.756 1.00 0.00 O ATOM 0 H ASP A 133 -1.055 12.380 -4.070 1.00 0.00 H new ATOM 0 HA ASP A 133 0.557 14.525 -2.892 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -0.260 13.501 -0.751 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -1.568 13.972 -1.818 1.00 0.00 H new ATOM 843 N GLY A 134 1.644 11.542 -3.342 1.00 0.00 N ATOM 844 CA GLY A 134 2.789 10.647 -3.207 1.00 0.00 C ATOM 845 C GLY A 134 2.492 9.571 -2.184 1.00 0.00 C ATOM 846 O GLY A 134 3.362 8.780 -1.820 1.00 0.00 O ATOM 0 H GLY A 134 0.974 11.262 -4.059 1.00 0.00 H new ATOM 0 HA2 GLY A 134 3.019 10.191 -4.170 1.00 0.00 H new ATOM 0 HA3 GLY A 134 3.670 11.214 -2.905 1.00 0.00 H new ATOM 850 N GLN A 135 1.253 9.565 -1.704 1.00 0.00 N ATOM 851 CA GLN A 135 0.824 8.612 -0.698 1.00 0.00 C ATOM 852 C GLN A 135 -0.375 7.817 -1.190 1.00 0.00 C ATOM 853 O GLN A 135 -1.242 8.349 -1.881 1.00 0.00 O ATOM 854 CB GLN A 135 0.419 9.386 0.553 1.00 0.00 C ATOM 855 CG GLN A 135 1.657 9.943 1.257 1.00 0.00 C ATOM 856 CD GLN A 135 2.205 11.135 0.480 1.00 0.00 C ATOM 857 OE1 GLN A 135 3.262 11.037 -0.144 1.00 0.00 O ATOM 858 NE2 GLN A 135 1.544 12.259 0.476 1.00 0.00 N ATOM 0 H GLN A 135 0.527 10.216 -2.001 1.00 0.00 H new ATOM 0 HA GLN A 135 1.640 7.922 -0.486 1.00 0.00 H new ATOM 0 HB2 GLN A 135 -0.252 10.202 0.283 1.00 0.00 H new ATOM 0 HB3 GLN A 135 -0.130 8.733 1.231 1.00 0.00 H new ATOM 0 HG2 GLN A 135 1.403 10.246 2.273 1.00 0.00 H new ATOM 0 HG3 GLN A 135 2.420 9.168 1.337 1.00 0.00 H new ATOM 0 HE21 GLN A 135 0.669 12.338 0.994 1.00 0.00 H new ATOM 0 HE22 GLN A 135 1.902 13.059 -0.045 1.00 0.00 H new ATOM 867 N VAL A 136 -0.433 6.546 -0.810 1.00 0.00 N ATOM 868 CA VAL A 136 -1.553 5.698 -1.200 1.00 0.00 C ATOM 869 C VAL A 136 -2.617 5.760 -0.112 1.00 0.00 C ATOM 870 O VAL A 136 -2.424 5.235 0.984 1.00 0.00 O ATOM 871 CB VAL A 136 -1.076 4.250 -1.390 1.00 0.00 C ATOM 872 CG1 VAL A 136 -2.280 3.312 -1.515 1.00 0.00 C ATOM 873 CG2 VAL A 136 -0.239 4.157 -2.666 1.00 0.00 C ATOM 0 H VAL A 136 0.274 6.084 -0.238 1.00 0.00 H new ATOM 0 HA VAL A 136 -1.971 6.050 -2.143 1.00 0.00 H new ATOM 0 HB VAL A 136 -0.478 3.957 -0.527 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -1.931 2.288 -1.649 1.00 0.00 H new ATOM 0 HG12 VAL A 136 -2.885 3.374 -0.610 1.00 0.00 H new ATOM 0 HG13 VAL A 136 -2.882 3.606 -2.375 1.00 0.00 H new ATOM 0 HG21 VAL A 136 0.101 3.131 -2.804 1.00 0.00 H new ATOM 0 HG22 VAL A 136 -0.845 4.457 -3.521 1.00 0.00 H new ATOM 0 HG23 VAL A 136 0.624 4.817 -2.584 1.00 0.00 H new ATOM 883 N ASN A 137 -3.742 6.398 -0.421 1.00 0.00 N ATOM 884 CA ASN A 137 -4.838 6.513 0.541 1.00 0.00 C ATOM 885 C ASN A 137 -5.835 5.380 0.332 1.00 0.00 C ATOM 886 O ASN A 137 -5.685 4.571 -0.584 1.00 0.00 O ATOM 887 CB ASN A 137 -5.543 7.864 0.374 1.00 0.00 C ATOM 888 CG ASN A 137 -6.635 8.014 1.429 1.00 0.00 C ATOM 889 OD1 ASN A 137 -7.815 7.839 1.131 1.00 0.00 O ATOM 890 ND2 ASN A 137 -6.310 8.333 2.652 1.00 0.00 N ATOM 0 H ASN A 137 -3.920 6.841 -1.322 1.00 0.00 H new ATOM 0 HA ASN A 137 -4.431 6.447 1.550 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -4.821 8.675 0.468 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -5.976 7.937 -0.623 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -7.035 8.437 3.362 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -5.331 8.478 2.898 1.00 0.00 H new ATOM 897 N TYR A 138 -6.838 5.309 1.198 1.00 0.00 N ATOM 898 CA TYR A 138 -7.836 4.250 1.108 1.00 0.00 C ATOM 899 C TYR A 138 -8.453 4.203 -0.287 1.00 0.00 C ATOM 900 O TYR A 138 -8.645 3.123 -0.844 1.00 0.00 O ATOM 901 CB TYR A 138 -8.937 4.477 2.145 1.00 0.00 C ATOM 902 CG TYR A 138 -9.894 3.309 2.118 1.00 0.00 C ATOM 903 CD1 TYR A 138 -9.553 2.120 2.771 1.00 0.00 C ATOM 904 CD2 TYR A 138 -11.118 3.411 1.444 1.00 0.00 C ATOM 905 CE1 TYR A 138 -10.433 1.033 2.755 1.00 0.00 C ATOM 906 CE2 TYR A 138 -11.999 2.322 1.425 1.00 0.00 C ATOM 907 CZ TYR A 138 -11.657 1.133 2.082 1.00 0.00 C ATOM 908 OH TYR A 138 -12.527 0.060 2.067 1.00 0.00 O ATOM 0 H TYR A 138 -6.982 5.966 1.965 1.00 0.00 H new ATOM 0 HA TYR A 138 -7.341 3.299 1.304 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -8.501 4.582 3.138 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -9.469 5.404 1.931 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -8.608 2.041 3.289 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -11.382 4.329 0.939 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -10.169 0.117 3.262 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -12.942 2.399 0.904 1.00 0.00 H new ATOM 0 HH TYR A 138 -13.221 0.192 2.747 1.00 0.00 H new ATOM 918 N GLU A 139 -8.772 5.370 -0.845 1.00 0.00 N ATOM 919 CA GLU A 139 -9.379 5.426 -2.171 1.00 0.00 C ATOM 920 C GLU A 139 -8.445 4.836 -3.221 1.00 0.00 C ATOM 921 O GLU A 139 -8.867 4.054 -4.065 1.00 0.00 O ATOM 922 CB GLU A 139 -9.720 6.873 -2.533 1.00 0.00 C ATOM 923 CG GLU A 139 -10.436 6.919 -3.887 1.00 0.00 C ATOM 924 CD GLU A 139 -10.829 8.355 -4.217 1.00 0.00 C ATOM 925 OE1 GLU A 139 -10.812 9.177 -3.315 1.00 0.00 O ATOM 926 OE2 GLU A 139 -11.142 8.614 -5.368 1.00 0.00 O ATOM 0 H GLU A 139 -8.622 6.278 -0.405 1.00 0.00 H new ATOM 0 HA GLU A 139 -10.295 4.835 -2.152 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -10.354 7.310 -1.762 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -8.809 7.471 -2.573 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -9.785 6.523 -4.666 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -11.323 6.287 -3.861 1.00 0.00 H new ATOM 933 N GLU A 140 -7.180 5.217 -3.194 1.00 0.00 N ATOM 934 CA GLU A 140 -6.246 4.687 -4.169 1.00 0.00 C ATOM 935 C GLU A 140 -5.971 3.216 -3.877 1.00 0.00 C ATOM 936 O GLU A 140 -5.843 2.407 -4.793 1.00 0.00 O ATOM 937 CB GLU A 140 -4.951 5.499 -4.150 1.00 0.00 C ATOM 938 CG GLU A 140 -5.233 6.908 -4.700 1.00 0.00 C ATOM 939 CD GLU A 140 -4.226 7.912 -4.166 1.00 0.00 C ATOM 940 OE1 GLU A 140 -3.377 7.523 -3.378 1.00 0.00 O ATOM 941 OE2 GLU A 140 -4.317 9.061 -4.556 1.00 0.00 O ATOM 0 H GLU A 140 -6.783 5.876 -2.524 1.00 0.00 H new ATOM 0 HA GLU A 140 -6.682 4.765 -5.165 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -4.562 5.563 -3.134 1.00 0.00 H new ATOM 0 HB3 GLU A 140 -4.189 5.005 -4.753 1.00 0.00 H new ATOM 0 HG2 GLU A 140 -5.193 6.892 -5.789 1.00 0.00 H new ATOM 0 HG3 GLU A 140 -6.241 7.216 -4.422 1.00 0.00 H new ATOM 948 N PHE A 141 -5.893 2.875 -2.589 1.00 0.00 N ATOM 949 CA PHE A 141 -5.640 1.495 -2.193 1.00 0.00 C ATOM 950 C PHE A 141 -6.783 0.592 -2.637 1.00 0.00 C ATOM 951 O PHE A 141 -6.564 -0.420 -3.304 1.00 0.00 O ATOM 952 CB PHE A 141 -5.490 1.406 -0.671 1.00 0.00 C ATOM 953 CG PHE A 141 -4.999 0.027 -0.292 1.00 0.00 C ATOM 954 CD1 PHE A 141 -3.703 -0.372 -0.643 1.00 0.00 C ATOM 955 CD2 PHE A 141 -5.834 -0.849 0.415 1.00 0.00 C ATOM 956 CE1 PHE A 141 -3.243 -1.647 -0.290 1.00 0.00 C ATOM 957 CE2 PHE A 141 -5.372 -2.124 0.768 1.00 0.00 C ATOM 958 CZ PHE A 141 -4.077 -2.522 0.414 1.00 0.00 C ATOM 0 H PHE A 141 -6.000 3.529 -1.814 1.00 0.00 H new ATOM 0 HA PHE A 141 -4.719 1.165 -2.673 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -4.789 2.163 -0.319 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -6.446 1.609 -0.188 1.00 0.00 H new ATOM 0 HD1 PHE A 141 -3.058 0.303 -1.186 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -6.833 -0.542 0.688 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -2.244 -1.955 -0.561 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -6.015 -2.800 1.313 1.00 0.00 H new ATOM 0 HZ PHE A 141 -3.722 -3.505 0.685 1.00 0.00 H new ATOM 968 N VAL A 142 -8.005 0.954 -2.248 1.00 0.00 N ATOM 969 CA VAL A 142 -9.161 0.144 -2.607 1.00 0.00 C ATOM 970 C VAL A 142 -9.284 0.084 -4.124 1.00 0.00 C ATOM 971 O VAL A 142 -9.515 -0.978 -4.699 1.00 0.00 O ATOM 972 CB VAL A 142 -10.441 0.729 -1.991 1.00 0.00 C ATOM 973 CG1 VAL A 142 -10.785 2.046 -2.676 1.00 0.00 C ATOM 974 CG2 VAL A 142 -11.602 -0.251 -2.172 1.00 0.00 C ATOM 0 H VAL A 142 -8.215 1.786 -1.696 1.00 0.00 H new ATOM 0 HA VAL A 142 -9.026 -0.864 -2.216 1.00 0.00 H new ATOM 0 HB VAL A 142 -10.275 0.901 -0.928 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -11.693 2.458 -2.237 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -9.965 2.751 -2.542 1.00 0.00 H new ATOM 0 HG13 VAL A 142 -10.943 1.872 -3.740 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -12.506 0.171 -1.733 1.00 0.00 H new ATOM 0 HG22 VAL A 142 -11.765 -0.430 -3.235 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -11.364 -1.193 -1.678 1.00 0.00 H new ATOM 984 N LYS A 143 -9.105 1.231 -4.766 1.00 0.00 N ATOM 985 CA LYS A 143 -9.182 1.306 -6.220 1.00 0.00 C ATOM 986 C LYS A 143 -8.121 0.406 -6.844 1.00 0.00 C ATOM 987 O LYS A 143 -8.416 -0.419 -7.711 1.00 0.00 O ATOM 988 CB LYS A 143 -8.951 2.751 -6.654 1.00 0.00 C ATOM 989 CG LYS A 143 -9.148 2.888 -8.163 1.00 0.00 C ATOM 990 CD LYS A 143 -9.010 4.360 -8.555 1.00 0.00 C ATOM 991 CE LYS A 143 -9.236 4.507 -10.058 1.00 0.00 C ATOM 992 NZ LYS A 143 -8.139 3.812 -10.788 1.00 0.00 N ATOM 0 H LYS A 143 -8.906 2.119 -4.306 1.00 0.00 H new ATOM 0 HA LYS A 143 -10.165 0.973 -6.552 1.00 0.00 H new ATOM 0 HB2 LYS A 143 -9.642 3.411 -6.129 1.00 0.00 H new ATOM 0 HB3 LYS A 143 -7.943 3.063 -6.382 1.00 0.00 H new ATOM 0 HG2 LYS A 143 -8.410 2.287 -8.694 1.00 0.00 H new ATOM 0 HG3 LYS A 143 -10.131 2.513 -8.449 1.00 0.00 H new ATOM 0 HD2 LYS A 143 -9.733 4.963 -8.006 1.00 0.00 H new ATOM 0 HD3 LYS A 143 -8.020 4.728 -8.287 1.00 0.00 H new ATOM 0 HE2 LYS A 143 -10.200 4.082 -10.336 1.00 0.00 H new ATOM 0 HE3 LYS A 143 -9.261 5.561 -10.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 143 -8.095 4.164 -11.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 143 -7.233 3.997 -10.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 143 -8.322 2.788 -10.797 1.00 0.00 H new ATOM 1006 N MET A 144 -6.886 0.559 -6.384 1.00 0.00 N ATOM 1007 CA MET A 144 -5.784 -0.257 -6.889 1.00 0.00 C ATOM 1008 C MET A 144 -6.041 -1.715 -6.563 1.00 0.00 C ATOM 1009 O MET A 144 -5.755 -2.613 -7.356 1.00 0.00 O ATOM 1010 CB MET A 144 -4.468 0.175 -6.243 1.00 0.00 C ATOM 1011 CG MET A 144 -3.266 -0.399 -7.015 1.00 0.00 C ATOM 1012 SD MET A 144 -2.937 -2.095 -6.463 1.00 0.00 S ATOM 1013 CE MET A 144 -2.251 -1.707 -4.828 1.00 0.00 C ATOM 0 H MET A 144 -6.621 1.235 -5.667 1.00 0.00 H new ATOM 0 HA MET A 144 -5.715 -0.124 -7.969 1.00 0.00 H new ATOM 0 HB2 MET A 144 -4.407 1.263 -6.223 1.00 0.00 H new ATOM 0 HB3 MET A 144 -4.437 -0.165 -5.208 1.00 0.00 H new ATOM 0 HG2 MET A 144 -3.471 -0.388 -8.086 1.00 0.00 H new ATOM 0 HG3 MET A 144 -2.386 0.224 -6.852 1.00 0.00 H new ATOM 0 HE1 MET A 144 -1.528 -2.472 -4.546 1.00 0.00 H new ATOM 0 HE2 MET A 144 -1.757 -0.736 -4.862 1.00 0.00 H new ATOM 0 HE3 MET A 144 -3.055 -1.680 -4.093 1.00 0.00 H new ATOM 1023 N MET A 145 -6.598 -1.932 -5.384 1.00 0.00 N ATOM 1024 CA MET A 145 -6.912 -3.283 -4.937 1.00 0.00 C ATOM 1025 C MET A 145 -7.976 -3.888 -5.847 1.00 0.00 C ATOM 1026 O MET A 145 -7.910 -5.065 -6.198 1.00 0.00 O ATOM 1027 CB MET A 145 -7.414 -3.267 -3.489 1.00 0.00 C ATOM 1028 CG MET A 145 -7.605 -4.703 -2.984 1.00 0.00 C ATOM 1029 SD MET A 145 -5.998 -5.535 -2.899 1.00 0.00 S ATOM 1030 CE MET A 145 -5.604 -5.083 -1.192 1.00 0.00 C ATOM 0 H MET A 145 -6.842 -1.197 -4.721 1.00 0.00 H new ATOM 0 HA MET A 145 -6.006 -3.888 -4.983 1.00 0.00 H new ATOM 0 HB2 MET A 145 -6.701 -2.741 -2.854 1.00 0.00 H new ATOM 0 HB3 MET A 145 -8.357 -2.723 -3.428 1.00 0.00 H new ATOM 0 HG2 MET A 145 -8.074 -4.694 -2.000 1.00 0.00 H new ATOM 0 HG3 MET A 145 -8.273 -5.248 -3.651 1.00 0.00 H new ATOM 0 HE1 MET A 145 -4.546 -4.830 -1.117 1.00 0.00 H new ATOM 0 HE2 MET A 145 -6.204 -4.223 -0.896 1.00 0.00 H new ATOM 0 HE3 MET A 145 -5.824 -5.923 -0.533 1.00 0.00 H new ATOM 1040 N MET A 146 -8.955 -3.071 -6.235 1.00 0.00 N ATOM 1041 CA MET A 146 -10.022 -3.541 -7.111 1.00 0.00 C ATOM 1042 C MET A 146 -9.439 -3.950 -8.454 1.00 0.00 C ATOM 1043 O MET A 146 -9.910 -4.894 -9.082 1.00 0.00 O ATOM 1044 CB MET A 146 -11.087 -2.451 -7.307 1.00 0.00 C ATOM 1045 CG MET A 146 -11.997 -2.387 -6.074 1.00 0.00 C ATOM 1046 SD MET A 146 -13.191 -1.037 -6.268 1.00 0.00 S ATOM 1047 CE MET A 146 -14.194 -1.782 -7.580 1.00 0.00 C ATOM 0 H MET A 146 -9.030 -2.092 -5.959 1.00 0.00 H new ATOM 0 HA MET A 146 -10.499 -4.404 -6.647 1.00 0.00 H new ATOM 0 HB2 MET A 146 -10.607 -1.485 -7.467 1.00 0.00 H new ATOM 0 HB3 MET A 146 -11.679 -2.664 -8.197 1.00 0.00 H new ATOM 0 HG2 MET A 146 -12.521 -3.334 -5.947 1.00 0.00 H new ATOM 0 HG3 MET A 146 -11.399 -2.231 -5.176 1.00 0.00 H new ATOM 0 HE1 MET A 146 -15.194 -1.349 -7.563 1.00 0.00 H new ATOM 0 HE2 MET A 146 -13.730 -1.588 -8.547 1.00 0.00 H new ATOM 0 HE3 MET A 146 -14.262 -2.858 -7.420 1.00 0.00 H new ATOM 1057 N THR A 147 -8.412 -3.229 -8.893 1.00 0.00 N ATOM 1058 CA THR A 147 -7.771 -3.537 -10.167 1.00 0.00 C ATOM 1059 C THR A 147 -7.241 -4.971 -10.169 1.00 0.00 C ATOM 1060 O THR A 147 -7.789 -5.843 -10.842 1.00 0.00 O ATOM 1061 CB THR A 147 -6.615 -2.566 -10.412 1.00 0.00 C ATOM 1062 OG1 THR A 147 -7.075 -1.233 -10.248 1.00 0.00 O ATOM 1063 CG2 THR A 147 -6.076 -2.751 -11.831 1.00 0.00 C ATOM 0 H THR A 147 -8.009 -2.437 -8.393 1.00 0.00 H new ATOM 0 HA THR A 147 -8.511 -3.434 -10.961 1.00 0.00 H new ATOM 0 HB THR A 147 -5.817 -2.767 -9.697 1.00 0.00 H new ATOM 0 HG1 THR A 147 -6.335 -0.610 -10.403 1.00 0.00 H new ATOM 0 HG21 THR A 147 -5.253 -2.057 -12.001 1.00 0.00 H new ATOM 0 HG22 THR A 147 -5.720 -3.774 -11.954 1.00 0.00 H new ATOM 0 HG23 THR A 147 -6.871 -2.554 -12.551 1.00 0.00 H new ATOM 1071 N VAL A 148 -6.174 -5.205 -9.411 1.00 0.00 N ATOM 1072 CA VAL A 148 -5.574 -6.535 -9.332 1.00 0.00 C ATOM 1073 C VAL A 148 -6.505 -7.499 -8.603 1.00 0.00 C ATOM 1074 O VAL A 148 -6.354 -8.717 -8.701 1.00 0.00 O ATOM 1075 CB VAL A 148 -4.223 -6.460 -8.613 1.00 0.00 C ATOM 1076 CG1 VAL A 148 -3.662 -7.872 -8.412 1.00 0.00 C ATOM 1077 CG2 VAL A 148 -3.246 -5.645 -9.466 1.00 0.00 C ATOM 0 H VAL A 148 -5.708 -4.496 -8.845 1.00 0.00 H new ATOM 0 HA VAL A 148 -5.416 -6.906 -10.345 1.00 0.00 H new ATOM 0 HB VAL A 148 -4.356 -5.984 -7.641 1.00 0.00 H new ATOM 0 HG11 VAL A 148 -2.701 -7.812 -7.900 1.00 0.00 H new ATOM 0 HG12 VAL A 148 -4.358 -8.458 -7.811 1.00 0.00 H new ATOM 0 HG13 VAL A 148 -3.528 -8.352 -9.382 1.00 0.00 H new ATOM 0 HG21 VAL A 148 -2.282 -5.587 -8.960 1.00 0.00 H new ATOM 0 HG22 VAL A 148 -3.119 -6.128 -10.435 1.00 0.00 H new ATOM 0 HG23 VAL A 148 -3.641 -4.639 -9.610 1.00 0.00 H new ATOM 1087 N ARG A 149 -7.459 -6.942 -7.867 1.00 0.00 N ATOM 1088 CA ARG A 149 -8.416 -7.751 -7.115 1.00 0.00 C ATOM 1089 C ARG A 149 -7.691 -8.657 -6.126 1.00 0.00 C ATOM 1090 O ARG A 149 -7.546 -9.832 -6.424 1.00 0.00 O ATOM 1091 CB ARG A 149 -9.258 -8.605 -8.067 1.00 0.00 C ATOM 1092 CG ARG A 149 -10.034 -7.696 -9.022 1.00 0.00 C ATOM 1093 CD ARG A 149 -10.814 -8.549 -10.021 1.00 0.00 C ATOM 1094 NE ARG A 149 -11.833 -9.332 -9.331 1.00 0.00 N ATOM 1095 CZ ARG A 149 -12.401 -10.381 -9.916 1.00 0.00 C ATOM 1096 NH1 ARG A 149 -12.055 -10.718 -11.128 1.00 0.00 N ATOM 1097 NH2 ARG A 149 -13.305 -11.074 -9.278 1.00 0.00 N ATOM 1098 OXT ARG A 149 -7.291 -8.162 -5.086 1.00 0.00 O ATOM 0 H ARG A 149 -7.592 -5.935 -7.774 1.00 0.00 H new ATOM 0 HA ARG A 149 -9.071 -7.076 -6.565 1.00 0.00 H new ATOM 0 HB2 ARG A 149 -8.614 -9.279 -8.633 1.00 0.00 H new ATOM 0 HB3 ARG A 149 -9.949 -9.227 -7.499 1.00 0.00 H new ATOM 0 HG2 ARG A 149 -10.718 -7.060 -8.460 1.00 0.00 H new ATOM 0 HG3 ARG A 149 -9.347 -7.036 -9.551 1.00 0.00 H new ATOM 0 HD2 ARG A 149 -11.282 -7.909 -10.769 1.00 0.00 H new ATOM 0 HD3 ARG A 149 -10.133 -9.214 -10.552 1.00 0.00 H new ATOM 0 HE ARG A 149 -12.114 -9.070 -8.386 1.00 0.00 H new ATOM 0 HH11 ARG A 149 -11.349 -10.176 -11.626 1.00 0.00 H new ATOM 0 HH12 ARG A 149 -12.491 -11.523 -11.577 1.00 0.00 H new ATOM 0 HH21 ARG A 149 -13.575 -10.810 -8.331 1.00 0.00 H new ATOM 0 HH22 ARG A 149 -13.741 -11.879 -9.727 1.00 0.00 H new TER 1112 ARG A 149 HETATM 1113 CA CA A 221 0.653 5.455 7.395 1.00 0.00 CA HETATM 1114 CA CA A 234 -3.247 9.849 -2.831 1.00 0.00 CA