USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 663 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 59 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 60 SER OG : rot 180:sc= -0.0908 USER MOD Set 2.1: A 20 THR OG1 : rot 33:sc= 1.11 USER MOD Set 2.2: A 23 THR OG1 : rot 8:sc= 0.0986 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.0349 USER MOD Single : A 38 TYR OH : rot 165:sc= 0 USER MOD Single : A 41 SER OG : rot 24:sc= 0.033 USER MOD Single : A 43 HIS : no HE2:sc= -3 K(o=-3,f=-4.6!) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.81 USER MOD Single : A 49 THR OG1 : rot 38:sc= 0.15 USER MOD Single : A 50 GLN : amide:sc= -0.179 K(o=-0.18,f=-3.6!) USER MOD Single : A 61 HIS : no HD1:sc= -1.91 K(o=-1.9,f=-1.4) USER MOD Single : A 62 GLN : amide:sc= -1.21 K(o=-1.2,f=-0.31) USER MOD Single : A 69 SER OG : rot -56:sc= 0.635 USER MOD Single : A 70 THR OG1 : rot -130:sc= -1.14 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 114:sc= 0.704 USER MOD Single : A 73 ASN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 77 GLN : amide:sc= -0.108 K(o=-0.11,f=-1.2) USER MOD Single : A 79 MET CE :methyl -142:sc= -0.223 (180deg=-1.48!) USER MOD Single : A 82 GLN : amide:sc= -0.0344 X(o=-0.034,f=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 42:sc= 0.0697 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 156:sc= 1.48 USER MOD ----------------------------------------------------------------- ATOM 85 N GLU A 9 16.161 -5.509 -3.575 1.00 0.00 N ATOM 86 CA GLU A 9 15.019 -6.238 -3.036 1.00 0.00 C ATOM 87 C GLU A 9 13.782 -5.346 -2.980 1.00 0.00 C ATOM 88 O GLU A 9 13.889 -4.123 -2.901 1.00 0.00 O ATOM 89 CB GLU A 9 15.340 -6.771 -1.638 1.00 0.00 C ATOM 90 CG GLU A 9 16.058 -8.110 -1.647 1.00 0.00 C ATOM 91 CD GLU A 9 15.119 -9.273 -1.905 1.00 0.00 C ATOM 92 OE1 GLU A 9 14.286 -9.168 -2.830 1.00 0.00 O ATOM 93 OE2 GLU A 9 15.218 -10.287 -1.183 1.00 0.00 O ATOM 0 HA GLU A 9 14.811 -7.078 -3.699 1.00 0.00 H new ATOM 0 HB2 GLU A 9 15.956 -6.041 -1.113 1.00 0.00 H new ATOM 0 HB3 GLU A 9 14.412 -6.869 -1.074 1.00 0.00 H new ATOM 0 HG2 GLU A 9 16.834 -8.097 -2.413 1.00 0.00 H new ATOM 0 HG3 GLU A 9 16.558 -8.257 -0.689 1.00 0.00 H new ATOM 100 N ALA A 10 12.609 -5.969 -3.023 1.00 0.00 N ATOM 101 CA ALA A 10 11.351 -5.234 -2.976 1.00 0.00 C ATOM 102 C ALA A 10 10.665 -5.405 -1.625 1.00 0.00 C ATOM 103 O ALA A 10 10.932 -6.348 -0.881 1.00 0.00 O ATOM 104 CB ALA A 10 10.431 -5.689 -4.099 1.00 0.00 C ATOM 0 H ALA A 10 12.504 -6.981 -3.090 1.00 0.00 H new ATOM 0 HA ALA A 10 11.573 -4.175 -3.110 1.00 0.00 H new ATOM 0 HB1 ALA A 10 9.496 -5.132 -4.051 1.00 0.00 H new ATOM 0 HB2 ALA A 10 10.913 -5.508 -5.060 1.00 0.00 H new ATOM 0 HB3 ALA A 10 10.225 -6.754 -3.991 1.00 0.00 H new ATOM 110 N PRO A 11 9.760 -4.470 -1.298 1.00 0.00 N ATOM 111 CA PRO A 11 9.017 -4.496 -0.034 1.00 0.00 C ATOM 112 C PRO A 11 8.005 -5.636 0.020 1.00 0.00 C ATOM 113 O PRO A 11 7.341 -5.936 -0.972 1.00 0.00 O ATOM 114 CB PRO A 11 8.300 -3.144 -0.017 1.00 0.00 C ATOM 115 CG PRO A 11 8.173 -2.764 -1.451 1.00 0.00 C ATOM 116 CD PRO A 11 9.391 -3.317 -2.137 1.00 0.00 C ATOM 0 HA PRO A 11 9.673 -4.657 0.821 1.00 0.00 H new ATOM 0 HB2 PRO A 11 7.323 -3.220 0.460 1.00 0.00 H new ATOM 0 HB3 PRO A 11 8.870 -2.401 0.540 1.00 0.00 H new ATOM 0 HG2 PRO A 11 7.261 -3.175 -1.884 1.00 0.00 H new ATOM 0 HG3 PRO A 11 8.120 -1.681 -1.564 1.00 0.00 H new ATOM 0 HD2 PRO A 11 9.173 -3.619 -3.162 1.00 0.00 H new ATOM 0 HD3 PRO A 11 10.194 -2.581 -2.185 1.00 0.00 H new ATOM 124 N ARG A 12 7.893 -6.267 1.184 1.00 0.00 N ATOM 125 CA ARG A 12 6.963 -7.374 1.367 1.00 0.00 C ATOM 126 C ARG A 12 6.134 -7.184 2.634 1.00 0.00 C ATOM 127 O ARG A 12 6.290 -6.193 3.348 1.00 0.00 O ATOM 128 CB ARG A 12 7.722 -8.700 1.436 1.00 0.00 C ATOM 129 CG ARG A 12 8.553 -8.861 2.698 1.00 0.00 C ATOM 130 CD ARG A 12 9.928 -8.229 2.544 1.00 0.00 C ATOM 131 NE ARG A 12 10.859 -9.108 1.842 1.00 0.00 N ATOM 132 CZ ARG A 12 12.163 -8.871 1.745 1.00 0.00 C ATOM 133 NH1 ARG A 12 12.686 -7.788 2.302 1.00 0.00 N ATOM 134 NH2 ARG A 12 12.946 -9.718 1.090 1.00 0.00 N ATOM 0 H ARG A 12 8.435 -6.030 2.015 1.00 0.00 H new ATOM 0 HA ARG A 12 6.288 -7.394 0.511 1.00 0.00 H new ATOM 0 HB2 ARG A 12 7.008 -9.521 1.374 1.00 0.00 H new ATOM 0 HB3 ARG A 12 8.376 -8.780 0.568 1.00 0.00 H new ATOM 0 HG2 ARG A 12 8.033 -8.402 3.539 1.00 0.00 H new ATOM 0 HG3 ARG A 12 8.662 -9.920 2.930 1.00 0.00 H new ATOM 0 HD2 ARG A 12 9.836 -7.289 1.999 1.00 0.00 H new ATOM 0 HD3 ARG A 12 10.329 -7.989 3.529 1.00 0.00 H new ATOM 0 HE ARG A 12 10.488 -9.950 1.402 1.00 0.00 H new ATOM 0 HH11 ARG A 12 12.087 -7.134 2.807 1.00 0.00 H new ATOM 0 HH12 ARG A 12 13.687 -7.608 2.226 1.00 0.00 H new ATOM 0 HH21 ARG A 12 12.547 -10.553 0.660 1.00 0.00 H new ATOM 0 HH22 ARG A 12 13.947 -9.535 1.016 1.00 0.00 H new ATOM 148 N ASP A 13 5.252 -8.139 2.907 1.00 0.00 N ATOM 149 CA ASP A 13 4.399 -8.078 4.088 1.00 0.00 C ATOM 150 C ASP A 13 3.481 -6.861 4.032 1.00 0.00 C ATOM 151 O ASP A 13 3.349 -6.124 5.010 1.00 0.00 O ATOM 152 CB ASP A 13 5.251 -8.032 5.357 1.00 0.00 C ATOM 153 CG ASP A 13 5.932 -9.355 5.646 1.00 0.00 C ATOM 154 OD1 ASP A 13 6.264 -10.074 4.680 1.00 0.00 O ATOM 155 OD2 ASP A 13 6.132 -9.673 6.837 1.00 0.00 O ATOM 0 H ASP A 13 5.109 -8.965 2.326 1.00 0.00 H new ATOM 0 HA ASP A 13 3.782 -8.976 4.107 1.00 0.00 H new ATOM 0 HB2 ASP A 13 6.006 -7.253 5.256 1.00 0.00 H new ATOM 0 HB3 ASP A 13 4.622 -7.758 6.204 1.00 0.00 H new ATOM 160 N LEU A 14 2.848 -6.656 2.882 1.00 0.00 N ATOM 161 CA LEU A 14 1.942 -5.527 2.698 1.00 0.00 C ATOM 162 C LEU A 14 0.532 -5.879 3.161 1.00 0.00 C ATOM 163 O LEU A 14 -0.259 -6.439 2.403 1.00 0.00 O ATOM 164 CB LEU A 14 1.917 -5.103 1.228 1.00 0.00 C ATOM 165 CG LEU A 14 1.016 -3.915 0.888 1.00 0.00 C ATOM 166 CD1 LEU A 14 1.398 -2.700 1.720 1.00 0.00 C ATOM 167 CD2 LEU A 14 1.096 -3.593 -0.597 1.00 0.00 C ATOM 0 H LEU A 14 2.945 -7.256 2.063 1.00 0.00 H new ATOM 0 HA LEU A 14 2.307 -4.697 3.304 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.935 -4.860 0.923 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.600 -5.957 0.629 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.013 -4.184 1.126 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.746 -1.865 1.464 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.289 -2.935 2.779 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.433 -2.429 1.514 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.449 -2.745 -0.821 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.124 -3.344 -0.860 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.773 -4.459 -1.175 1.00 0.00 H new ATOM 179 N GLU A 15 0.225 -5.545 4.411 1.00 0.00 N ATOM 180 CA GLU A 15 -1.090 -5.825 4.974 1.00 0.00 C ATOM 181 C GLU A 15 -1.731 -4.552 5.519 1.00 0.00 C ATOM 182 O GLU A 15 -1.038 -3.629 5.945 1.00 0.00 O ATOM 183 CB GLU A 15 -0.981 -6.870 6.087 1.00 0.00 C ATOM 184 CG GLU A 15 -2.326 -7.394 6.564 1.00 0.00 C ATOM 185 CD GLU A 15 -3.212 -7.850 5.422 1.00 0.00 C ATOM 186 OE1 GLU A 15 -2.695 -8.508 4.495 1.00 0.00 O ATOM 187 OE2 GLU A 15 -4.424 -7.550 5.456 1.00 0.00 O ATOM 0 H GLU A 15 0.869 -5.081 5.052 1.00 0.00 H new ATOM 0 HA GLU A 15 -1.722 -6.217 4.177 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.380 -7.707 5.731 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.450 -6.434 6.933 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -2.165 -8.226 7.249 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -2.838 -6.613 7.126 1.00 0.00 H new ATOM 194 N ALA A 16 -3.059 -4.510 5.501 1.00 0.00 N ATOM 195 CA ALA A 16 -3.794 -3.352 5.994 1.00 0.00 C ATOM 196 C ALA A 16 -4.163 -3.521 7.464 1.00 0.00 C ATOM 197 O ALA A 16 -4.685 -4.559 7.869 1.00 0.00 O ATOM 198 CB ALA A 16 -5.044 -3.125 5.157 1.00 0.00 C ATOM 0 H ALA A 16 -3.648 -5.265 5.150 1.00 0.00 H new ATOM 0 HA ALA A 16 -3.148 -2.478 5.907 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -5.583 -2.257 5.536 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -4.760 -2.951 4.119 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -5.685 -4.004 5.215 1.00 0.00 H new ATOM 204 N LYS A 17 -3.887 -2.493 8.260 1.00 0.00 N ATOM 205 CA LYS A 17 -4.190 -2.526 9.686 1.00 0.00 C ATOM 206 C LYS A 17 -4.953 -1.275 10.109 1.00 0.00 C ATOM 207 O LYS A 17 -4.967 -0.274 9.393 1.00 0.00 O ATOM 208 CB LYS A 17 -2.900 -2.649 10.499 1.00 0.00 C ATOM 209 CG LYS A 17 -2.100 -3.902 10.186 1.00 0.00 C ATOM 210 CD LYS A 17 -1.111 -4.223 11.294 1.00 0.00 C ATOM 211 CE LYS A 17 -0.308 -5.475 10.977 1.00 0.00 C ATOM 212 NZ LYS A 17 0.768 -5.712 11.980 1.00 0.00 N ATOM 0 H LYS A 17 -3.454 -1.626 7.941 1.00 0.00 H new ATOM 0 HA LYS A 17 -4.818 -3.396 9.879 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -2.277 -1.774 10.311 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.148 -2.642 11.561 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -2.779 -4.743 10.048 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -1.564 -3.767 9.246 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -0.434 -3.381 11.434 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -1.647 -4.361 12.233 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -0.975 -6.337 10.949 1.00 0.00 H new ATOM 0 HE3 LYS A 17 0.134 -5.382 9.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 1.293 -6.574 11.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 1.419 -4.901 11.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 0.345 -5.827 12.923 1.00 0.00 H new ATOM 226 N GLU A 18 -5.586 -1.340 11.276 1.00 0.00 N ATOM 227 CA GLU A 18 -6.351 -0.211 11.794 1.00 0.00 C ATOM 228 C GLU A 18 -7.345 0.295 10.753 1.00 0.00 C ATOM 229 O GLU A 18 -7.564 1.499 10.621 1.00 0.00 O ATOM 230 CB GLU A 18 -5.411 0.922 12.211 1.00 0.00 C ATOM 231 CG GLU A 18 -4.455 0.539 13.328 1.00 0.00 C ATOM 232 CD GLU A 18 -5.153 -0.158 14.480 1.00 0.00 C ATOM 233 OE1 GLU A 18 -5.868 0.527 15.241 1.00 0.00 O ATOM 234 OE2 GLU A 18 -4.983 -1.387 14.620 1.00 0.00 O ATOM 0 H GLU A 18 -5.584 -2.162 11.880 1.00 0.00 H new ATOM 0 HA GLU A 18 -6.907 -0.552 12.667 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -4.834 1.242 11.344 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -6.006 1.777 12.531 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -3.679 -0.115 12.929 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -3.957 1.435 13.698 1.00 0.00 H new ATOM 241 N VAL A 19 -7.945 -0.634 10.015 1.00 0.00 N ATOM 242 CA VAL A 19 -8.917 -0.283 8.986 1.00 0.00 C ATOM 243 C VAL A 19 -10.189 0.287 9.603 1.00 0.00 C ATOM 244 O VAL A 19 -10.749 -0.285 10.539 1.00 0.00 O ATOM 245 CB VAL A 19 -9.281 -1.503 8.119 1.00 0.00 C ATOM 246 CG1 VAL A 19 -10.314 -1.122 7.069 1.00 0.00 C ATOM 247 CG2 VAL A 19 -8.036 -2.084 7.467 1.00 0.00 C ATOM 0 H VAL A 19 -7.775 -1.635 10.111 1.00 0.00 H new ATOM 0 HA VAL A 19 -8.452 0.475 8.356 1.00 0.00 H new ATOM 0 HB VAL A 19 -9.716 -2.267 8.763 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -10.559 -1.996 6.466 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -11.215 -0.756 7.561 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -9.909 -0.340 6.427 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -8.312 -2.945 6.858 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -7.569 -1.328 6.836 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -7.333 -2.396 8.239 1.00 0.00 H new ATOM 257 N THR A 20 -10.642 1.419 9.072 1.00 0.00 N ATOM 258 CA THR A 20 -11.848 2.067 9.570 1.00 0.00 C ATOM 259 C THR A 20 -12.599 2.771 8.446 1.00 0.00 C ATOM 260 O THR A 20 -12.035 3.102 7.402 1.00 0.00 O ATOM 261 CB THR A 20 -11.521 3.091 10.674 1.00 0.00 C ATOM 262 OG1 THR A 20 -10.229 3.664 10.443 1.00 0.00 O ATOM 263 CG2 THR A 20 -11.553 2.436 12.046 1.00 0.00 C ATOM 0 H THR A 20 -10.191 1.905 8.297 1.00 0.00 H new ATOM 0 HA THR A 20 -12.478 1.282 9.988 1.00 0.00 H new ATOM 0 HB THR A 20 -12.277 3.876 10.646 1.00 0.00 H new ATOM 0 HG1 THR A 20 -10.062 3.716 9.479 1.00 0.00 H new ATOM 0 HG21 THR A 20 -11.319 3.178 12.809 1.00 0.00 H new ATOM 0 HG22 THR A 20 -12.546 2.026 12.231 1.00 0.00 H new ATOM 0 HG23 THR A 20 -10.817 1.633 12.083 1.00 0.00 H new ATOM 271 N PRO A 21 -13.901 3.009 8.660 1.00 0.00 N ATOM 272 CA PRO A 21 -14.757 3.678 7.676 1.00 0.00 C ATOM 273 C PRO A 21 -14.413 5.155 7.518 1.00 0.00 C ATOM 274 O PRO A 21 -15.050 5.871 6.745 1.00 0.00 O ATOM 275 CB PRO A 21 -16.163 3.515 8.258 1.00 0.00 C ATOM 276 CG PRO A 21 -15.950 3.364 9.725 1.00 0.00 C ATOM 277 CD PRO A 21 -14.639 2.642 9.881 1.00 0.00 C ATOM 0 HA PRO A 21 -14.642 3.251 6.680 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -16.787 4.381 8.035 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -16.666 2.644 7.839 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -15.921 4.336 10.217 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -16.763 2.800 10.181 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -14.111 2.958 10.780 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -14.780 1.564 9.957 1.00 0.00 H new ATOM 285 N ARG A 22 -13.402 5.605 8.254 1.00 0.00 N ATOM 286 CA ARG A 22 -12.975 6.997 8.196 1.00 0.00 C ATOM 287 C ARG A 22 -11.529 7.103 7.719 1.00 0.00 C ATOM 288 O ARG A 22 -11.157 8.057 7.035 1.00 0.00 O ATOM 289 CB ARG A 22 -13.118 7.655 9.570 1.00 0.00 C ATOM 290 CG ARG A 22 -14.550 8.028 9.920 1.00 0.00 C ATOM 291 CD ARG A 22 -14.619 8.808 11.224 1.00 0.00 C ATOM 292 NE ARG A 22 -14.418 7.948 12.387 1.00 0.00 N ATOM 293 CZ ARG A 22 -13.221 7.614 12.855 1.00 0.00 C ATOM 294 NH1 ARG A 22 -12.124 8.065 12.263 1.00 0.00 N ATOM 295 NH2 ARG A 22 -13.119 6.827 13.919 1.00 0.00 N ATOM 0 H ARG A 22 -12.863 5.025 8.898 1.00 0.00 H new ATOM 0 HA ARG A 22 -13.615 7.517 7.483 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -12.732 6.976 10.331 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -12.500 8.552 9.600 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -14.979 8.624 9.115 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -15.153 7.124 10.003 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -13.862 9.592 11.218 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -15.588 9.301 11.301 1.00 0.00 H new ATOM 0 HE ARG A 22 -15.242 7.584 12.866 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -12.198 8.670 11.445 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -11.206 7.807 12.625 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -13.961 6.478 14.378 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -12.199 6.571 14.278 1.00 0.00 H new ATOM 309 N THR A 23 -10.717 6.116 8.085 1.00 0.00 N ATOM 310 CA THR A 23 -9.312 6.099 7.696 1.00 0.00 C ATOM 311 C THR A 23 -8.797 4.670 7.562 1.00 0.00 C ATOM 312 O THR A 23 -9.550 3.711 7.726 1.00 0.00 O ATOM 313 CB THR A 23 -8.438 6.855 8.714 1.00 0.00 C ATOM 314 OG1 THR A 23 -8.632 6.312 10.025 1.00 0.00 O ATOM 315 CG2 THR A 23 -8.774 8.338 8.719 1.00 0.00 C ATOM 0 H THR A 23 -11.008 5.318 8.650 1.00 0.00 H new ATOM 0 HA THR A 23 -9.245 6.599 6.730 1.00 0.00 H new ATOM 0 HB THR A 23 -7.394 6.736 8.423 1.00 0.00 H new ATOM 0 HG1 THR A 23 -9.181 5.502 9.966 1.00 0.00 H new ATOM 0 HG21 THR A 23 -8.144 8.851 9.446 1.00 0.00 H new ATOM 0 HG22 THR A 23 -8.597 8.754 7.727 1.00 0.00 H new ATOM 0 HG23 THR A 23 -9.822 8.473 8.988 1.00 0.00 H new ATOM 323 N ALA A 24 -7.508 4.536 7.265 1.00 0.00 N ATOM 324 CA ALA A 24 -6.892 3.225 7.112 1.00 0.00 C ATOM 325 C ALA A 24 -5.370 3.327 7.134 1.00 0.00 C ATOM 326 O ALA A 24 -4.790 4.230 6.529 1.00 0.00 O ATOM 327 CB ALA A 24 -7.360 2.568 5.822 1.00 0.00 C ATOM 0 H ALA A 24 -6.871 5.320 7.126 1.00 0.00 H new ATOM 0 HA ALA A 24 -7.201 2.606 7.954 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -6.891 1.589 5.721 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -8.443 2.451 5.846 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -7.081 3.193 4.973 1.00 0.00 H new ATOM 333 N LEU A 25 -4.729 2.398 7.834 1.00 0.00 N ATOM 334 CA LEU A 25 -3.274 2.384 7.935 1.00 0.00 C ATOM 335 C LEU A 25 -2.695 1.136 7.277 1.00 0.00 C ATOM 336 O LEU A 25 -3.229 0.036 7.428 1.00 0.00 O ATOM 337 CB LEU A 25 -2.844 2.448 9.402 1.00 0.00 C ATOM 338 CG LEU A 25 -1.370 2.155 9.682 1.00 0.00 C ATOM 339 CD1 LEU A 25 -0.549 3.433 9.608 1.00 0.00 C ATOM 340 CD2 LEU A 25 -1.207 1.493 11.042 1.00 0.00 C ATOM 0 H LEU A 25 -5.194 1.644 8.340 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.889 3.260 7.412 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.075 3.442 9.785 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.449 1.740 9.968 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.005 1.467 8.919 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.498 3.205 9.810 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.640 3.867 8.612 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.915 4.144 10.349 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.151 1.292 11.224 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.589 2.156 11.818 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.763 0.556 11.060 1.00 0.00 H new ATOM 352 N LEU A 26 -1.598 1.313 6.548 1.00 0.00 N ATOM 353 CA LEU A 26 -0.943 0.200 5.869 1.00 0.00 C ATOM 354 C LEU A 26 0.486 0.020 6.371 1.00 0.00 C ATOM 355 O LEU A 26 1.262 0.975 6.425 1.00 0.00 O ATOM 356 CB LEU A 26 -0.939 0.432 4.357 1.00 0.00 C ATOM 357 CG LEU A 26 -2.150 -0.102 3.592 1.00 0.00 C ATOM 358 CD1 LEU A 26 -2.379 0.704 2.323 1.00 0.00 C ATOM 359 CD2 LEU A 26 -1.965 -1.577 3.263 1.00 0.00 C ATOM 0 H LEU A 26 -1.144 2.216 6.412 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.503 -0.709 6.090 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.863 1.504 4.174 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -0.041 -0.026 3.942 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.030 0.001 4.227 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.245 0.309 1.792 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.557 1.748 2.582 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.499 0.634 1.684 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.837 -1.940 2.718 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.074 -1.704 2.648 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.852 -2.144 4.187 1.00 0.00 H new ATOM 371 N THR A 27 0.828 -1.212 6.736 1.00 0.00 N ATOM 372 CA THR A 27 2.164 -1.518 7.233 1.00 0.00 C ATOM 373 C THR A 27 2.864 -2.534 6.338 1.00 0.00 C ATOM 374 O THR A 27 2.263 -3.523 5.918 1.00 0.00 O ATOM 375 CB THR A 27 2.116 -2.066 8.672 1.00 0.00 C ATOM 376 OG1 THR A 27 1.503 -3.360 8.684 1.00 0.00 O ATOM 377 CG2 THR A 27 1.343 -1.125 9.584 1.00 0.00 C ATOM 0 H THR A 27 0.199 -2.014 6.697 1.00 0.00 H new ATOM 0 HA THR A 27 2.726 -0.584 7.226 1.00 0.00 H new ATOM 0 HB THR A 27 3.139 -2.146 9.041 1.00 0.00 H new ATOM 0 HG1 THR A 27 1.478 -3.702 9.602 1.00 0.00 H new ATOM 0 HG21 THR A 27 1.323 -1.533 10.595 1.00 0.00 H new ATOM 0 HG22 THR A 27 1.829 -0.149 9.596 1.00 0.00 H new ATOM 0 HG23 THR A 27 0.323 -1.018 9.215 1.00 0.00 H new ATOM 385 N TRP A 28 4.136 -2.284 6.051 1.00 0.00 N ATOM 386 CA TRP A 28 4.918 -3.179 5.205 1.00 0.00 C ATOM 387 C TRP A 28 6.324 -3.367 5.765 1.00 0.00 C ATOM 388 O TRP A 28 6.726 -2.679 6.704 1.00 0.00 O ATOM 389 CB TRP A 28 4.993 -2.631 3.779 1.00 0.00 C ATOM 390 CG TRP A 28 5.851 -1.408 3.657 1.00 0.00 C ATOM 391 CD1 TRP A 28 7.198 -1.371 3.439 1.00 0.00 C ATOM 392 CD2 TRP A 28 5.419 -0.046 3.748 1.00 0.00 C ATOM 393 NE1 TRP A 28 7.631 -0.067 3.389 1.00 0.00 N ATOM 394 CE2 TRP A 28 6.559 0.765 3.575 1.00 0.00 C ATOM 395 CE3 TRP A 28 4.181 0.569 3.956 1.00 0.00 C ATOM 396 CZ2 TRP A 28 6.494 2.155 3.605 1.00 0.00 C ATOM 397 CZ3 TRP A 28 4.119 1.949 3.987 1.00 0.00 C ATOM 398 CH2 TRP A 28 5.269 2.730 3.811 1.00 0.00 C ATOM 0 H TRP A 28 4.648 -1.470 6.391 1.00 0.00 H new ATOM 0 HA TRP A 28 4.421 -4.149 5.188 1.00 0.00 H new ATOM 0 HB2 TRP A 28 5.382 -3.407 3.119 1.00 0.00 H new ATOM 0 HB3 TRP A 28 3.986 -2.396 3.434 1.00 0.00 H new ATOM 0 HD1 TRP A 28 7.831 -2.239 3.323 1.00 0.00 H new ATOM 0 HE1 TRP A 28 8.594 0.232 3.238 1.00 0.00 H new ATOM 0 HE3 TRP A 28 3.289 -0.024 4.090 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 7.379 2.759 3.470 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 3.168 2.434 4.150 1.00 0.00 H new ATOM 0 HH2 TRP A 28 5.187 3.807 3.838 1.00 0.00 H new ATOM 409 N THR A 29 7.068 -4.302 5.183 1.00 0.00 N ATOM 410 CA THR A 29 8.429 -4.580 5.625 1.00 0.00 C ATOM 411 C THR A 29 9.451 -3.908 4.715 1.00 0.00 C ATOM 412 O THR A 29 9.505 -4.185 3.517 1.00 0.00 O ATOM 413 CB THR A 29 8.709 -6.095 5.661 1.00 0.00 C ATOM 414 OG1 THR A 29 7.966 -6.705 6.722 1.00 0.00 O ATOM 415 CG2 THR A 29 10.193 -6.366 5.853 1.00 0.00 C ATOM 0 H THR A 29 6.751 -4.880 4.404 1.00 0.00 H new ATOM 0 HA THR A 29 8.523 -4.176 6.633 1.00 0.00 H new ATOM 0 HB THR A 29 8.398 -6.523 4.708 1.00 0.00 H new ATOM 0 HG1 THR A 29 8.148 -7.668 6.737 1.00 0.00 H new ATOM 0 HG21 THR A 29 10.366 -7.442 5.875 1.00 0.00 H new ATOM 0 HG22 THR A 29 10.753 -5.925 5.028 1.00 0.00 H new ATOM 0 HG23 THR A 29 10.525 -5.925 6.793 1.00 0.00 H new ATOM 423 N GLU A 30 10.259 -3.024 5.292 1.00 0.00 N ATOM 424 CA GLU A 30 11.279 -2.312 4.531 1.00 0.00 C ATOM 425 C GLU A 30 12.444 -3.236 4.187 1.00 0.00 C ATOM 426 O GLU A 30 12.899 -4.034 5.006 1.00 0.00 O ATOM 427 CB GLU A 30 11.787 -1.105 5.322 1.00 0.00 C ATOM 428 CG GLU A 30 10.974 0.158 5.094 1.00 0.00 C ATOM 429 CD GLU A 30 11.699 1.409 5.552 1.00 0.00 C ATOM 430 OE1 GLU A 30 12.486 1.963 4.757 1.00 0.00 O ATOM 431 OE2 GLU A 30 11.480 1.833 6.706 1.00 0.00 O ATOM 0 H GLU A 30 10.227 -2.784 6.283 1.00 0.00 H new ATOM 0 HA GLU A 30 10.827 -1.964 3.602 1.00 0.00 H new ATOM 0 HB2 GLU A 30 11.776 -1.347 6.385 1.00 0.00 H new ATOM 0 HB3 GLU A 30 12.825 -0.913 5.049 1.00 0.00 H new ATOM 0 HG2 GLU A 30 10.738 0.247 4.034 1.00 0.00 H new ATOM 0 HG3 GLU A 30 10.026 0.077 5.626 1.00 0.00 H new ATOM 438 N PRO A 31 12.938 -3.126 2.945 1.00 0.00 N ATOM 439 CA PRO A 31 14.056 -3.943 2.463 1.00 0.00 C ATOM 440 C PRO A 31 15.377 -3.568 3.127 1.00 0.00 C ATOM 441 O PRO A 31 15.485 -2.556 3.820 1.00 0.00 O ATOM 442 CB PRO A 31 14.103 -3.631 0.965 1.00 0.00 C ATOM 443 CG PRO A 31 13.492 -2.278 0.840 1.00 0.00 C ATOM 444 CD PRO A 31 12.444 -2.196 1.916 1.00 0.00 C ATOM 0 HA PRO A 31 13.915 -5.000 2.688 1.00 0.00 H new ATOM 0 HB2 PRO A 31 15.127 -3.639 0.591 1.00 0.00 H new ATOM 0 HB3 PRO A 31 13.547 -4.371 0.389 1.00 0.00 H new ATOM 0 HG2 PRO A 31 14.243 -1.498 0.966 1.00 0.00 H new ATOM 0 HG3 PRO A 31 13.050 -2.139 -0.147 1.00 0.00 H new ATOM 0 HD2 PRO A 31 12.345 -1.182 2.305 1.00 0.00 H new ATOM 0 HD3 PRO A 31 11.463 -2.492 1.545 1.00 0.00 H new ATOM 452 N PRO A 32 16.406 -4.401 2.911 1.00 0.00 N ATOM 453 CA PRO A 32 17.738 -4.176 3.480 1.00 0.00 C ATOM 454 C PRO A 32 18.445 -2.982 2.847 1.00 0.00 C ATOM 455 O PRO A 32 19.561 -2.634 3.231 1.00 0.00 O ATOM 456 CB PRO A 32 18.485 -5.473 3.155 1.00 0.00 C ATOM 457 CG PRO A 32 17.792 -6.019 1.955 1.00 0.00 C ATOM 458 CD PRO A 32 16.348 -5.625 2.095 1.00 0.00 C ATOM 0 HA PRO A 32 17.693 -3.948 4.545 1.00 0.00 H new ATOM 0 HB2 PRO A 32 19.539 -5.282 2.951 1.00 0.00 H new ATOM 0 HB3 PRO A 32 18.443 -6.173 3.989 1.00 0.00 H new ATOM 0 HG2 PRO A 32 18.220 -5.613 1.039 1.00 0.00 H new ATOM 0 HG3 PRO A 32 17.897 -7.103 1.903 1.00 0.00 H new ATOM 0 HD2 PRO A 32 15.886 -5.440 1.125 1.00 0.00 H new ATOM 0 HD3 PRO A 32 15.764 -6.406 2.582 1.00 0.00 H new ATOM 466 N VAL A 33 17.786 -2.357 1.876 1.00 0.00 N ATOM 467 CA VAL A 33 18.351 -1.200 1.191 1.00 0.00 C ATOM 468 C VAL A 33 17.338 -0.065 1.104 1.00 0.00 C ATOM 469 O VAL A 33 16.536 -0.005 0.172 1.00 0.00 O ATOM 470 CB VAL A 33 18.822 -1.564 -0.229 1.00 0.00 C ATOM 471 CG1 VAL A 33 19.271 -0.318 -0.978 1.00 0.00 C ATOM 472 CG2 VAL A 33 19.940 -2.594 -0.173 1.00 0.00 C ATOM 0 H VAL A 33 16.861 -2.632 1.546 1.00 0.00 H new ATOM 0 HA VAL A 33 19.209 -0.872 1.777 1.00 0.00 H new ATOM 0 HB VAL A 33 17.983 -2.002 -0.770 1.00 0.00 H new ATOM 0 HG11 VAL A 33 19.600 -0.594 -1.980 1.00 0.00 H new ATOM 0 HG12 VAL A 33 18.439 0.383 -1.050 1.00 0.00 H new ATOM 0 HG13 VAL A 33 20.095 0.152 -0.442 1.00 0.00 H new ATOM 0 HG21 VAL A 33 20.260 -2.839 -1.186 1.00 0.00 H new ATOM 0 HG22 VAL A 33 20.783 -2.186 0.385 1.00 0.00 H new ATOM 0 HG23 VAL A 33 19.579 -3.496 0.322 1.00 0.00 H new ATOM 482 N ARG A 34 17.380 0.835 2.082 1.00 0.00 N ATOM 483 CA ARG A 34 16.465 1.969 2.116 1.00 0.00 C ATOM 484 C ARG A 34 16.447 2.694 0.774 1.00 0.00 C ATOM 485 O ARG A 34 17.462 3.210 0.306 1.00 0.00 O ATOM 486 CB ARG A 34 16.865 2.941 3.228 1.00 0.00 C ATOM 487 CG ARG A 34 15.713 3.794 3.735 1.00 0.00 C ATOM 488 CD ARG A 34 16.205 5.125 4.282 1.00 0.00 C ATOM 489 NE ARG A 34 15.270 5.698 5.247 1.00 0.00 N ATOM 490 CZ ARG A 34 15.464 6.864 5.854 1.00 0.00 C ATOM 491 NH1 ARG A 34 16.553 7.576 5.598 1.00 0.00 N ATOM 492 NH2 ARG A 34 14.568 7.319 6.720 1.00 0.00 N ATOM 0 H ARG A 34 18.038 0.800 2.861 1.00 0.00 H new ATOM 0 HA ARG A 34 15.463 1.589 2.317 1.00 0.00 H new ATOM 0 HB2 ARG A 34 17.281 2.375 4.061 1.00 0.00 H new ATOM 0 HB3 ARG A 34 17.656 3.595 2.860 1.00 0.00 H new ATOM 0 HG2 ARG A 34 15.006 3.971 2.925 1.00 0.00 H new ATOM 0 HG3 ARG A 34 15.175 3.255 4.515 1.00 0.00 H new ATOM 0 HD2 ARG A 34 17.176 4.985 4.757 1.00 0.00 H new ATOM 0 HD3 ARG A 34 16.350 5.824 3.459 1.00 0.00 H new ATOM 0 HE ARG A 34 14.422 5.175 5.467 1.00 0.00 H new ATOM 0 HH11 ARG A 34 17.245 7.229 4.933 1.00 0.00 H new ATOM 0 HH12 ARG A 34 16.699 8.471 6.066 1.00 0.00 H new ATOM 0 HH21 ARG A 34 13.730 6.774 6.920 1.00 0.00 H new ATOM 0 HH22 ARG A 34 14.718 8.214 7.186 1.00 0.00 H new ATOM 506 N PRO A 35 15.267 2.735 0.138 1.00 0.00 N ATOM 507 CA PRO A 35 15.088 3.394 -1.159 1.00 0.00 C ATOM 508 C PRO A 35 15.197 4.912 -1.058 1.00 0.00 C ATOM 509 O PRO A 35 15.476 5.453 0.011 1.00 0.00 O ATOM 510 CB PRO A 35 13.672 2.986 -1.573 1.00 0.00 C ATOM 511 CG PRO A 35 12.971 2.699 -0.290 1.00 0.00 C ATOM 512 CD PRO A 35 14.015 2.141 0.637 1.00 0.00 C ATOM 0 HA PRO A 35 15.857 3.101 -1.874 1.00 0.00 H new ATOM 0 HB2 PRO A 35 13.176 3.784 -2.126 1.00 0.00 H new ATOM 0 HB3 PRO A 35 13.686 2.110 -2.221 1.00 0.00 H new ATOM 0 HG2 PRO A 35 12.527 3.605 0.123 1.00 0.00 H new ATOM 0 HG3 PRO A 35 12.160 1.986 -0.439 1.00 0.00 H new ATOM 0 HD2 PRO A 35 13.823 2.420 1.673 1.00 0.00 H new ATOM 0 HD3 PRO A 35 14.044 1.052 0.600 1.00 0.00 H new ATOM 520 N ALA A 36 14.975 5.592 -2.178 1.00 0.00 N ATOM 521 CA ALA A 36 15.045 7.047 -2.214 1.00 0.00 C ATOM 522 C ALA A 36 13.727 7.672 -1.770 1.00 0.00 C ATOM 523 O ALA A 36 13.702 8.535 -0.893 1.00 0.00 O ATOM 524 CB ALA A 36 15.413 7.523 -3.612 1.00 0.00 C ATOM 0 H ALA A 36 14.745 5.158 -3.072 1.00 0.00 H new ATOM 0 HA ALA A 36 15.820 7.366 -1.517 1.00 0.00 H new ATOM 0 HB1 ALA A 36 15.462 8.612 -3.625 1.00 0.00 H new ATOM 0 HB2 ALA A 36 16.383 7.113 -3.892 1.00 0.00 H new ATOM 0 HB3 ALA A 36 14.658 7.185 -4.322 1.00 0.00 H new ATOM 530 N GLY A 37 12.632 7.231 -2.383 1.00 0.00 N ATOM 531 CA GLY A 37 11.325 7.759 -2.037 1.00 0.00 C ATOM 532 C GLY A 37 10.237 6.707 -2.111 1.00 0.00 C ATOM 533 O GLY A 37 10.509 5.541 -2.401 1.00 0.00 O ATOM 0 H GLY A 37 12.627 6.518 -3.112 1.00 0.00 H new ATOM 0 HA2 GLY A 37 11.359 8.172 -1.029 1.00 0.00 H new ATOM 0 HA3 GLY A 37 11.078 8.580 -2.710 1.00 0.00 H new ATOM 537 N TYR A 38 9.001 7.116 -1.845 1.00 0.00 N ATOM 538 CA TYR A 38 7.868 6.199 -1.878 1.00 0.00 C ATOM 539 C TYR A 38 6.685 6.822 -2.612 1.00 0.00 C ATOM 540 O TYR A 38 6.238 7.919 -2.275 1.00 0.00 O ATOM 541 CB TYR A 38 7.456 5.813 -0.457 1.00 0.00 C ATOM 542 CG TYR A 38 8.164 4.584 0.067 1.00 0.00 C ATOM 543 CD1 TYR A 38 8.023 3.354 -0.564 1.00 0.00 C ATOM 544 CD2 TYR A 38 8.977 4.653 1.192 1.00 0.00 C ATOM 545 CE1 TYR A 38 8.668 2.229 -0.089 1.00 0.00 C ATOM 546 CE2 TYR A 38 9.627 3.533 1.673 1.00 0.00 C ATOM 547 CZ TYR A 38 9.469 2.324 1.030 1.00 0.00 C ATOM 548 OH TYR A 38 10.114 1.205 1.506 1.00 0.00 O ATOM 0 H TYR A 38 8.759 8.077 -1.604 1.00 0.00 H new ATOM 0 HA TYR A 38 8.174 5.302 -2.416 1.00 0.00 H new ATOM 0 HB2 TYR A 38 7.658 6.651 0.211 1.00 0.00 H new ATOM 0 HB3 TYR A 38 6.380 5.639 -0.434 1.00 0.00 H new ATOM 0 HD1 TYR A 38 7.398 3.276 -1.441 1.00 0.00 H new ATOM 0 HD2 TYR A 38 9.103 5.598 1.699 1.00 0.00 H new ATOM 0 HE1 TYR A 38 8.546 1.280 -0.591 1.00 0.00 H new ATOM 0 HE2 TYR A 38 10.256 3.604 2.548 1.00 0.00 H new ATOM 0 HH TYR A 38 10.814 1.474 2.137 1.00 0.00 H new ATOM 558 N LEU A 39 6.181 6.113 -3.616 1.00 0.00 N ATOM 559 CA LEU A 39 5.047 6.594 -4.399 1.00 0.00 C ATOM 560 C LEU A 39 3.824 5.709 -4.186 1.00 0.00 C ATOM 561 O LEU A 39 3.582 4.771 -4.948 1.00 0.00 O ATOM 562 CB LEU A 39 5.409 6.635 -5.885 1.00 0.00 C ATOM 563 CG LEU A 39 4.249 6.876 -6.852 1.00 0.00 C ATOM 564 CD1 LEU A 39 3.828 8.337 -6.826 1.00 0.00 C ATOM 565 CD2 LEU A 39 4.635 6.455 -8.262 1.00 0.00 C ATOM 0 H LEU A 39 6.539 5.203 -3.907 1.00 0.00 H new ATOM 0 HA LEU A 39 4.806 7.602 -4.062 1.00 0.00 H new ATOM 0 HB2 LEU A 39 6.151 7.419 -6.036 1.00 0.00 H new ATOM 0 HB3 LEU A 39 5.885 5.691 -6.149 1.00 0.00 H new ATOM 0 HG LEU A 39 3.402 6.269 -6.532 1.00 0.00 H new ATOM 0 HD11 LEU A 39 3.002 8.490 -7.520 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.510 8.606 -5.819 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.670 8.964 -7.121 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.798 6.633 -8.937 1.00 0.00 H new ATOM 0 HD22 LEU A 39 5.497 7.035 -8.592 1.00 0.00 H new ATOM 0 HD23 LEU A 39 4.887 5.395 -8.269 1.00 0.00 H new ATOM 577 N LEU A 40 3.053 6.014 -3.148 1.00 0.00 N ATOM 578 CA LEU A 40 1.852 5.247 -2.836 1.00 0.00 C ATOM 579 C LEU A 40 0.648 5.785 -3.603 1.00 0.00 C ATOM 580 O LEU A 40 0.185 6.897 -3.350 1.00 0.00 O ATOM 581 CB LEU A 40 1.573 5.289 -1.333 1.00 0.00 C ATOM 582 CG LEU A 40 0.369 4.479 -0.851 1.00 0.00 C ATOM 583 CD1 LEU A 40 0.737 3.011 -0.704 1.00 0.00 C ATOM 584 CD2 LEU A 40 -0.154 5.033 0.467 1.00 0.00 C ATOM 0 H LEU A 40 3.238 6.787 -2.508 1.00 0.00 H new ATOM 0 HA LEU A 40 2.021 4.214 -3.140 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.459 4.931 -0.809 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.427 6.329 -1.040 1.00 0.00 H new ATOM 0 HG LEU A 40 -0.421 4.562 -1.597 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.132 2.451 -0.360 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.063 2.619 -1.668 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.544 2.909 0.021 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.011 4.444 0.795 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.632 4.981 1.221 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.458 6.071 0.330 1.00 0.00 H new ATOM 596 N SER A 41 0.145 4.987 -4.540 1.00 0.00 N ATOM 597 CA SER A 41 -1.005 5.384 -5.345 1.00 0.00 C ATOM 598 C SER A 41 -2.198 4.472 -5.075 1.00 0.00 C ATOM 599 O SER A 41 -2.176 3.287 -5.408 1.00 0.00 O ATOM 600 CB SER A 41 -0.648 5.349 -6.832 1.00 0.00 C ATOM 601 OG SER A 41 -1.715 5.843 -7.624 1.00 0.00 O ATOM 0 H SER A 41 0.515 4.062 -4.760 1.00 0.00 H new ATOM 0 HA SER A 41 -1.278 6.402 -5.068 1.00 0.00 H new ATOM 0 HB2 SER A 41 0.247 5.946 -7.009 1.00 0.00 H new ATOM 0 HB3 SER A 41 -0.413 4.327 -7.129 1.00 0.00 H new ATOM 0 HG SER A 41 -2.278 6.434 -7.082 1.00 0.00 H new ATOM 607 N PHE A 42 -3.238 5.034 -4.469 1.00 0.00 N ATOM 608 CA PHE A 42 -4.441 4.272 -4.152 1.00 0.00 C ATOM 609 C PHE A 42 -5.625 4.755 -4.985 1.00 0.00 C ATOM 610 O PHE A 42 -5.958 5.941 -4.982 1.00 0.00 O ATOM 611 CB PHE A 42 -4.768 4.392 -2.663 1.00 0.00 C ATOM 612 CG PHE A 42 -5.505 5.652 -2.309 1.00 0.00 C ATOM 613 CD1 PHE A 42 -6.877 5.739 -2.479 1.00 0.00 C ATOM 614 CD2 PHE A 42 -4.824 6.750 -1.808 1.00 0.00 C ATOM 615 CE1 PHE A 42 -7.558 6.898 -2.155 1.00 0.00 C ATOM 616 CE2 PHE A 42 -5.500 7.911 -1.482 1.00 0.00 C ATOM 617 CZ PHE A 42 -6.868 7.985 -1.657 1.00 0.00 C ATOM 0 H PHE A 42 -3.273 6.014 -4.187 1.00 0.00 H new ATOM 0 HA PHE A 42 -4.253 3.226 -4.392 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -5.367 3.533 -2.361 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -3.841 4.350 -2.091 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -7.421 4.892 -2.869 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -3.754 6.698 -1.671 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -8.628 6.953 -2.291 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -4.959 8.760 -1.091 1.00 0.00 H new ATOM 0 HZ PHE A 42 -7.397 8.892 -1.405 1.00 0.00 H new ATOM 627 N HIS A 43 -6.257 3.828 -5.698 1.00 0.00 N ATOM 628 CA HIS A 43 -7.405 4.158 -6.536 1.00 0.00 C ATOM 629 C HIS A 43 -8.673 3.498 -6.004 1.00 0.00 C ATOM 630 O HIS A 43 -8.613 2.492 -5.296 1.00 0.00 O ATOM 631 CB HIS A 43 -7.153 3.718 -7.978 1.00 0.00 C ATOM 632 CG HIS A 43 -7.615 2.323 -8.268 1.00 0.00 C ATOM 633 ND1 HIS A 43 -7.512 1.292 -7.358 1.00 0.00 N ATOM 634 CD2 HIS A 43 -8.187 1.792 -9.374 1.00 0.00 C ATOM 635 CE1 HIS A 43 -7.999 0.186 -7.893 1.00 0.00 C ATOM 636 NE2 HIS A 43 -8.416 0.463 -9.115 1.00 0.00 N ATOM 0 H HIS A 43 -5.994 2.843 -5.712 1.00 0.00 H new ATOM 0 HA HIS A 43 -7.542 5.239 -6.513 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -7.660 4.407 -8.653 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -6.086 3.790 -8.190 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -7.121 1.371 -6.419 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -8.420 2.316 -10.289 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -8.048 -0.780 -7.413 1.00 0.00 H new ATOM 645 N THR A 44 -9.822 4.072 -6.349 1.00 0.00 N ATOM 646 CA THR A 44 -11.105 3.541 -5.905 1.00 0.00 C ATOM 647 C THR A 44 -11.899 2.972 -7.075 1.00 0.00 C ATOM 648 O THR A 44 -11.833 3.468 -8.200 1.00 0.00 O ATOM 649 CB THR A 44 -11.948 4.623 -5.204 1.00 0.00 C ATOM 650 OG1 THR A 44 -13.314 4.201 -5.120 1.00 0.00 O ATOM 651 CG2 THR A 44 -11.865 5.944 -5.953 1.00 0.00 C ATOM 0 H THR A 44 -9.890 4.904 -6.934 1.00 0.00 H new ATOM 0 HA THR A 44 -10.888 2.743 -5.195 1.00 0.00 H new ATOM 0 HB THR A 44 -11.550 4.768 -4.200 1.00 0.00 H new ATOM 0 HG1 THR A 44 -13.843 4.893 -4.672 1.00 0.00 H new ATOM 0 HG21 THR A 44 -12.468 6.692 -5.439 1.00 0.00 H new ATOM 0 HG22 THR A 44 -10.828 6.277 -5.990 1.00 0.00 H new ATOM 0 HG23 THR A 44 -12.239 5.811 -6.968 1.00 0.00 H new ATOM 659 N PRO A 45 -12.670 1.908 -6.807 1.00 0.00 N ATOM 660 CA PRO A 45 -13.493 1.250 -7.825 1.00 0.00 C ATOM 661 C PRO A 45 -14.670 2.113 -8.266 1.00 0.00 C ATOM 662 O PRO A 45 -15.365 1.788 -9.228 1.00 0.00 O ATOM 663 CB PRO A 45 -13.992 -0.013 -7.117 1.00 0.00 C ATOM 664 CG PRO A 45 -13.960 0.329 -5.668 1.00 0.00 C ATOM 665 CD PRO A 45 -12.797 1.265 -5.488 1.00 0.00 C ATOM 0 HA PRO A 45 -12.930 1.050 -8.737 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -14.999 -0.276 -7.440 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -13.353 -0.869 -7.336 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -14.892 0.801 -5.358 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -13.838 -0.566 -5.058 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -12.987 1.995 -4.701 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -11.889 0.729 -5.213 1.00 0.00 H new ATOM 704 N THR A 49 -8.120 7.521 -9.666 1.00 0.00 N ATOM 705 CA THR A 49 -6.875 7.179 -8.991 1.00 0.00 C ATOM 706 C THR A 49 -6.328 8.369 -8.211 1.00 0.00 C ATOM 707 O THR A 49 -6.460 9.516 -8.638 1.00 0.00 O ATOM 708 CB THR A 49 -5.806 6.701 -9.992 1.00 0.00 C ATOM 709 OG1 THR A 49 -6.343 5.667 -10.825 1.00 0.00 O ATOM 710 CG2 THR A 49 -4.575 6.183 -9.263 1.00 0.00 C ATOM 0 HA THR A 49 -7.103 6.368 -8.299 1.00 0.00 H new ATOM 0 HB THR A 49 -5.513 7.550 -10.610 1.00 0.00 H new ATOM 0 HG1 THR A 49 -7.276 5.874 -11.043 1.00 0.00 H new ATOM 0 HG21 THR A 49 -3.834 5.851 -9.990 1.00 0.00 H new ATOM 0 HG22 THR A 49 -4.152 6.980 -8.652 1.00 0.00 H new ATOM 0 HG23 THR A 49 -4.856 5.346 -8.624 1.00 0.00 H new ATOM 718 N GLN A 50 -5.712 8.088 -7.067 1.00 0.00 N ATOM 719 CA GLN A 50 -5.145 9.137 -6.228 1.00 0.00 C ATOM 720 C GLN A 50 -3.681 8.849 -5.912 1.00 0.00 C ATOM 721 O GLN A 50 -3.331 7.741 -5.506 1.00 0.00 O ATOM 722 CB GLN A 50 -5.943 9.269 -4.930 1.00 0.00 C ATOM 723 CG GLN A 50 -5.298 10.194 -3.911 1.00 0.00 C ATOM 724 CD GLN A 50 -5.508 11.659 -4.237 1.00 0.00 C ATOM 725 OE1 GLN A 50 -5.430 12.066 -5.396 1.00 0.00 O ATOM 726 NE2 GLN A 50 -5.778 12.461 -3.213 1.00 0.00 N ATOM 0 H GLN A 50 -5.593 7.144 -6.700 1.00 0.00 H new ATOM 0 HA GLN A 50 -5.201 10.077 -6.777 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -6.942 9.639 -5.163 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -6.065 8.281 -4.486 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -5.709 9.983 -2.924 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -4.229 9.986 -3.863 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -5.833 12.081 -2.268 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -5.930 13.457 -3.372 1.00 0.00 H new ATOM 735 N GLU A 51 -2.830 9.853 -6.101 1.00 0.00 N ATOM 736 CA GLU A 51 -1.404 9.706 -5.837 1.00 0.00 C ATOM 737 C GLU A 51 -1.012 10.425 -4.549 1.00 0.00 C ATOM 738 O GLU A 51 -1.742 11.289 -4.062 1.00 0.00 O ATOM 739 CB GLU A 51 -0.586 10.253 -7.009 1.00 0.00 C ATOM 740 CG GLU A 51 -0.470 9.285 -8.174 1.00 0.00 C ATOM 741 CD GLU A 51 -0.240 9.990 -9.497 1.00 0.00 C ATOM 742 OE1 GLU A 51 0.870 10.526 -9.699 1.00 0.00 O ATOM 743 OE2 GLU A 51 -1.170 10.004 -10.330 1.00 0.00 O ATOM 0 H GLU A 51 -3.104 10.777 -6.436 1.00 0.00 H new ATOM 0 HA GLU A 51 -1.190 8.644 -5.719 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -1.044 11.178 -7.360 1.00 0.00 H new ATOM 0 HB3 GLU A 51 0.414 10.506 -6.657 1.00 0.00 H new ATOM 0 HG2 GLU A 51 0.352 8.594 -7.987 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -1.380 8.688 -8.238 1.00 0.00 H new ATOM 750 N ILE A 52 0.143 10.062 -4.004 1.00 0.00 N ATOM 751 CA ILE A 52 0.633 10.672 -2.774 1.00 0.00 C ATOM 752 C ILE A 52 2.157 10.669 -2.727 1.00 0.00 C ATOM 753 O ILE A 52 2.803 9.755 -3.242 1.00 0.00 O ATOM 754 CB ILE A 52 0.090 9.944 -1.530 1.00 0.00 C ATOM 755 CG1 ILE A 52 -1.437 10.033 -1.485 1.00 0.00 C ATOM 756 CG2 ILE A 52 0.698 10.532 -0.265 1.00 0.00 C ATOM 757 CD1 ILE A 52 -2.060 9.181 -0.402 1.00 0.00 C ATOM 0 H ILE A 52 0.758 9.348 -4.395 1.00 0.00 H new ATOM 0 HA ILE A 52 0.275 11.701 -2.768 1.00 0.00 H new ATOM 0 HB ILE A 52 0.372 8.893 -1.591 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -1.728 11.072 -1.331 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -1.839 9.729 -2.451 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.305 10.007 0.606 1.00 0.00 H new ATOM 0 HG22 ILE A 52 1.782 10.421 -0.297 1.00 0.00 H new ATOM 0 HG23 ILE A 52 0.444 11.590 -0.197 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -3.144 9.293 -0.429 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.799 8.135 -0.567 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -1.686 9.499 0.571 1.00 0.00 H new ATOM 769 N LEU A 53 2.726 11.695 -2.105 1.00 0.00 N ATOM 770 CA LEU A 53 4.176 11.810 -1.988 1.00 0.00 C ATOM 771 C LEU A 53 4.635 11.492 -0.569 1.00 0.00 C ATOM 772 O LEU A 53 4.398 12.266 0.360 1.00 0.00 O ATOM 773 CB LEU A 53 4.628 13.218 -2.379 1.00 0.00 C ATOM 774 CG LEU A 53 6.092 13.361 -2.798 1.00 0.00 C ATOM 775 CD1 LEU A 53 7.012 13.142 -1.607 1.00 0.00 C ATOM 776 CD2 LEU A 53 6.423 12.385 -3.918 1.00 0.00 C ATOM 0 H LEU A 53 2.206 12.459 -1.674 1.00 0.00 H new ATOM 0 HA LEU A 53 4.629 11.087 -2.667 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.000 13.564 -3.200 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.446 13.884 -1.535 1.00 0.00 H new ATOM 0 HG LEU A 53 6.247 14.374 -3.168 1.00 0.00 H new ATOM 0 HD11 LEU A 53 8.049 13.248 -1.924 1.00 0.00 H new ATOM 0 HD12 LEU A 53 6.791 13.880 -0.836 1.00 0.00 H new ATOM 0 HD13 LEU A 53 6.856 12.141 -1.206 1.00 0.00 H new ATOM 0 HD21 LEU A 53 7.469 12.500 -4.204 1.00 0.00 H new ATOM 0 HD22 LEU A 53 6.251 11.365 -3.574 1.00 0.00 H new ATOM 0 HD23 LEU A 53 5.787 12.590 -4.779 1.00 0.00 H new ATOM 788 N LEU A 54 5.294 10.350 -0.408 1.00 0.00 N ATOM 789 CA LEU A 54 5.789 9.930 0.899 1.00 0.00 C ATOM 790 C LEU A 54 7.154 10.546 1.187 1.00 0.00 C ATOM 791 O LEU A 54 7.921 10.869 0.280 1.00 0.00 O ATOM 792 CB LEU A 54 5.881 8.405 0.965 1.00 0.00 C ATOM 793 CG LEU A 54 4.600 7.672 1.367 1.00 0.00 C ATOM 794 CD1 LEU A 54 3.761 7.352 0.139 1.00 0.00 C ATOM 795 CD2 LEU A 54 4.932 6.401 2.135 1.00 0.00 C ATOM 0 H LEU A 54 5.498 9.698 -1.166 1.00 0.00 H new ATOM 0 HA LEU A 54 5.086 10.278 1.656 1.00 0.00 H new ATOM 0 HB2 LEU A 54 6.195 8.037 -0.012 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.666 8.139 1.673 1.00 0.00 H new ATOM 0 HG LEU A 54 4.019 8.325 2.018 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.854 6.831 0.444 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.494 8.278 -0.370 1.00 0.00 H new ATOM 0 HD13 LEU A 54 4.334 6.718 -0.538 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.009 5.892 2.413 1.00 0.00 H new ATOM 0 HD22 LEU A 54 5.534 5.744 1.508 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.491 6.655 3.035 1.00 0.00 H new ATOM 807 N PRO A 55 7.467 10.712 2.481 1.00 0.00 N ATOM 808 CA PRO A 55 8.742 11.288 2.920 1.00 0.00 C ATOM 809 C PRO A 55 9.920 10.357 2.653 1.00 0.00 C ATOM 810 O PRO A 55 11.077 10.742 2.817 1.00 0.00 O ATOM 811 CB PRO A 55 8.544 11.482 4.425 1.00 0.00 C ATOM 812 CG PRO A 55 7.512 10.476 4.804 1.00 0.00 C ATOM 813 CD PRO A 55 6.601 10.350 3.615 1.00 0.00 C ATOM 0 HA PRO A 55 8.980 12.208 2.386 1.00 0.00 H new ATOM 0 HB2 PRO A 55 9.474 11.320 4.971 1.00 0.00 H new ATOM 0 HB3 PRO A 55 8.212 12.495 4.653 1.00 0.00 H new ATOM 0 HG2 PRO A 55 7.972 9.518 5.047 1.00 0.00 H new ATOM 0 HG3 PRO A 55 6.959 10.797 5.687 1.00 0.00 H new ATOM 0 HD2 PRO A 55 6.210 9.338 3.514 1.00 0.00 H new ATOM 0 HD3 PRO A 55 5.743 11.017 3.694 1.00 0.00 H new ATOM 821 N GLY A 56 9.618 9.130 2.239 1.00 0.00 N ATOM 822 CA GLY A 56 10.664 8.165 1.956 1.00 0.00 C ATOM 823 C GLY A 56 11.483 7.820 3.184 1.00 0.00 C ATOM 824 O GLY A 56 12.355 8.586 3.592 1.00 0.00 O ATOM 0 H GLY A 56 8.668 8.787 2.095 1.00 0.00 H new ATOM 0 HA2 GLY A 56 10.216 7.256 1.555 1.00 0.00 H new ATOM 0 HA3 GLY A 56 11.322 8.564 1.184 1.00 0.00 H new ATOM 828 N GLY A 57 11.202 6.664 3.776 1.00 0.00 N ATOM 829 CA GLY A 57 11.927 6.241 4.960 1.00 0.00 C ATOM 830 C GLY A 57 11.004 5.865 6.102 1.00 0.00 C ATOM 831 O GLY A 57 11.285 6.170 7.261 1.00 0.00 O ATOM 0 H GLY A 57 10.485 6.012 3.457 1.00 0.00 H new ATOM 0 HA2 GLY A 57 12.557 5.388 4.711 1.00 0.00 H new ATOM 0 HA3 GLY A 57 12.590 7.044 5.282 1.00 0.00 H new ATOM 835 N ILE A 58 9.900 5.203 5.774 1.00 0.00 N ATOM 836 CA ILE A 58 8.932 4.786 6.782 1.00 0.00 C ATOM 837 C ILE A 58 8.532 3.327 6.589 1.00 0.00 C ATOM 838 O ILE A 58 8.957 2.675 5.635 1.00 0.00 O ATOM 839 CB ILE A 58 7.667 5.663 6.745 1.00 0.00 C ATOM 840 CG1 ILE A 58 6.699 5.154 5.675 1.00 0.00 C ATOM 841 CG2 ILE A 58 8.037 7.116 6.484 1.00 0.00 C ATOM 842 CD1 ILE A 58 5.549 6.099 5.402 1.00 0.00 C ATOM 0 H ILE A 58 9.653 4.944 4.819 1.00 0.00 H new ATOM 0 HA ILE A 58 9.416 4.903 7.752 1.00 0.00 H new ATOM 0 HB ILE A 58 7.172 5.603 7.714 1.00 0.00 H new ATOM 0 HG12 ILE A 58 7.249 4.987 4.749 1.00 0.00 H new ATOM 0 HG13 ILE A 58 6.300 4.189 5.987 1.00 0.00 H new ATOM 0 HG21 ILE A 58 7.132 7.723 6.461 1.00 0.00 H new ATOM 0 HG22 ILE A 58 8.693 7.473 7.278 1.00 0.00 H new ATOM 0 HG23 ILE A 58 8.551 7.194 5.526 1.00 0.00 H new ATOM 0 HD11 ILE A 58 4.903 5.674 4.633 1.00 0.00 H new ATOM 0 HD12 ILE A 58 4.975 6.247 6.317 1.00 0.00 H new ATOM 0 HD13 ILE A 58 5.939 7.057 5.059 1.00 0.00 H new ATOM 854 N THR A 59 7.709 2.820 7.501 1.00 0.00 N ATOM 855 CA THR A 59 7.249 1.438 7.432 1.00 0.00 C ATOM 856 C THR A 59 5.728 1.367 7.373 1.00 0.00 C ATOM 857 O THR A 59 5.159 0.340 7.005 1.00 0.00 O ATOM 858 CB THR A 59 7.744 0.621 8.640 1.00 0.00 C ATOM 859 OG1 THR A 59 7.443 1.313 9.857 1.00 0.00 O ATOM 860 CG2 THR A 59 9.242 0.373 8.549 1.00 0.00 C ATOM 0 H THR A 59 7.347 3.346 8.297 1.00 0.00 H new ATOM 0 HA THR A 59 7.665 1.011 6.519 1.00 0.00 H new ATOM 0 HB THR A 59 7.232 -0.341 8.634 1.00 0.00 H new ATOM 0 HG1 THR A 59 7.760 0.786 10.620 1.00 0.00 H new ATOM 0 HG21 THR A 59 9.568 -0.206 9.413 1.00 0.00 H new ATOM 0 HG22 THR A 59 9.464 -0.180 7.637 1.00 0.00 H new ATOM 0 HG23 THR A 59 9.768 1.327 8.532 1.00 0.00 H new ATOM 868 N SER A 60 5.074 2.465 7.739 1.00 0.00 N ATOM 869 CA SER A 60 3.617 2.526 7.730 1.00 0.00 C ATOM 870 C SER A 60 3.133 3.916 7.331 1.00 0.00 C ATOM 871 O SER A 60 3.656 4.927 7.802 1.00 0.00 O ATOM 872 CB SER A 60 3.062 2.156 9.108 1.00 0.00 C ATOM 873 OG SER A 60 3.906 1.226 9.765 1.00 0.00 O ATOM 0 H SER A 60 5.530 3.324 8.045 1.00 0.00 H new ATOM 0 HA SER A 60 3.253 1.809 6.994 1.00 0.00 H new ATOM 0 HB2 SER A 60 2.963 3.055 9.717 1.00 0.00 H new ATOM 0 HB3 SER A 60 2.064 1.732 9.000 1.00 0.00 H new ATOM 0 HG SER A 60 3.530 1.007 10.643 1.00 0.00 H new ATOM 879 N HIS A 61 2.132 3.960 6.458 1.00 0.00 N ATOM 880 CA HIS A 61 1.576 5.226 5.995 1.00 0.00 C ATOM 881 C HIS A 61 0.073 5.285 6.249 1.00 0.00 C ATOM 882 O HIS A 61 -0.653 4.336 5.955 1.00 0.00 O ATOM 883 CB HIS A 61 1.861 5.417 4.505 1.00 0.00 C ATOM 884 CG HIS A 61 1.997 6.853 4.100 1.00 0.00 C ATOM 885 ND1 HIS A 61 1.378 7.384 2.989 1.00 0.00 N ATOM 886 CD2 HIS A 61 2.685 7.871 4.668 1.00 0.00 C ATOM 887 CE1 HIS A 61 1.680 8.666 2.888 1.00 0.00 C ATOM 888 NE2 HIS A 61 2.472 8.987 3.895 1.00 0.00 N ATOM 0 H HIS A 61 1.689 3.133 6.057 1.00 0.00 H new ATOM 0 HA HIS A 61 2.053 6.030 6.555 1.00 0.00 H new ATOM 0 HB2 HIS A 61 2.778 4.887 4.248 1.00 0.00 H new ATOM 0 HB3 HIS A 61 1.057 4.960 3.928 1.00 0.00 H new ATOM 0 HD2 HIS A 61 3.289 7.816 5.562 1.00 0.00 H new ATOM 0 HE1 HIS A 61 1.338 9.337 2.114 1.00 0.00 H new ATOM 0 HE2 HIS A 61 2.862 9.913 4.070 1.00 0.00 H new ATOM 897 N GLN A 62 -0.386 6.406 6.796 1.00 0.00 N ATOM 898 CA GLN A 62 -1.803 6.587 7.091 1.00 0.00 C ATOM 899 C GLN A 62 -2.514 7.287 5.937 1.00 0.00 C ATOM 900 O GLN A 62 -1.985 8.232 5.351 1.00 0.00 O ATOM 901 CB GLN A 62 -1.979 7.394 8.379 1.00 0.00 C ATOM 902 CG GLN A 62 -3.431 7.676 8.726 1.00 0.00 C ATOM 903 CD GLN A 62 -4.099 6.513 9.433 1.00 0.00 C ATOM 904 OE1 GLN A 62 -3.665 6.092 10.506 1.00 0.00 O ATOM 905 NE2 GLN A 62 -5.160 5.986 8.835 1.00 0.00 N ATOM 0 H GLN A 62 0.202 7.202 7.044 1.00 0.00 H new ATOM 0 HA GLN A 62 -2.249 5.602 7.225 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -1.516 6.852 9.204 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -1.447 8.340 8.281 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -3.484 8.561 9.361 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -3.981 7.905 7.813 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -5.486 6.366 7.946 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -5.650 5.201 9.264 1.00 0.00 H new ATOM 914 N LEU A 63 -3.714 6.817 5.616 1.00 0.00 N ATOM 915 CA LEU A 63 -4.498 7.398 4.532 1.00 0.00 C ATOM 916 C LEU A 63 -5.725 8.123 5.075 1.00 0.00 C ATOM 917 O LEU A 63 -6.325 7.698 6.063 1.00 0.00 O ATOM 918 CB LEU A 63 -4.930 6.309 3.548 1.00 0.00 C ATOM 919 CG LEU A 63 -3.804 5.603 2.792 1.00 0.00 C ATOM 920 CD1 LEU A 63 -4.332 4.369 2.078 1.00 0.00 C ATOM 921 CD2 LEU A 63 -3.148 6.555 1.801 1.00 0.00 C ATOM 0 H LEU A 63 -4.165 6.035 6.091 1.00 0.00 H new ATOM 0 HA LEU A 63 -3.871 8.122 4.012 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -5.500 5.558 4.095 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -5.607 6.754 2.819 1.00 0.00 H new ATOM 0 HG LEU A 63 -3.051 5.286 3.514 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.516 3.880 1.546 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.754 3.679 2.808 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -5.105 4.662 1.367 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.349 6.036 1.272 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.892 6.903 1.084 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -2.733 7.409 2.337 1.00 0.00 H new ATOM 933 N LEU A 64 -6.094 9.220 4.422 1.00 0.00 N ATOM 934 CA LEU A 64 -7.252 10.004 4.838 1.00 0.00 C ATOM 935 C LEU A 64 -8.229 10.188 3.681 1.00 0.00 C ATOM 936 O LEU A 64 -7.845 10.125 2.514 1.00 0.00 O ATOM 937 CB LEU A 64 -6.805 11.369 5.365 1.00 0.00 C ATOM 938 CG LEU A 64 -5.851 11.348 6.560 1.00 0.00 C ATOM 939 CD1 LEU A 64 -5.282 12.735 6.812 1.00 0.00 C ATOM 940 CD2 LEU A 64 -6.562 10.827 7.800 1.00 0.00 C ATOM 0 H LEU A 64 -5.609 9.586 3.603 1.00 0.00 H new ATOM 0 HA LEU A 64 -7.760 9.462 5.635 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -6.323 11.910 4.551 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -7.693 11.937 5.644 1.00 0.00 H new ATOM 0 HG LEU A 64 -5.025 10.675 6.330 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -4.605 12.701 7.666 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.737 13.070 5.930 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -6.096 13.430 7.021 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.868 10.819 8.641 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -7.408 11.474 8.033 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -6.920 9.814 7.615 1.00 0.00 H new ATOM 952 N GLY A 65 -9.496 10.418 4.014 1.00 0.00 N ATOM 953 CA GLY A 65 -10.508 10.609 2.992 1.00 0.00 C ATOM 954 C GLY A 65 -10.885 9.315 2.299 1.00 0.00 C ATOM 955 O GLY A 65 -10.466 9.063 1.168 1.00 0.00 O ATOM 0 H GLY A 65 -9.839 10.475 4.973 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -11.398 11.048 3.444 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -10.142 11.321 2.252 1.00 0.00 H new ATOM 959 N LEU A 66 -11.675 8.491 2.977 1.00 0.00 N ATOM 960 CA LEU A 66 -12.107 7.213 2.421 1.00 0.00 C ATOM 961 C LEU A 66 -13.624 7.074 2.491 1.00 0.00 C ATOM 962 O LEU A 66 -14.308 7.908 3.085 1.00 0.00 O ATOM 963 CB LEU A 66 -11.442 6.057 3.169 1.00 0.00 C ATOM 964 CG LEU A 66 -9.919 6.122 3.288 1.00 0.00 C ATOM 965 CD1 LEU A 66 -9.397 4.953 4.109 1.00 0.00 C ATOM 966 CD2 LEU A 66 -9.277 6.136 1.908 1.00 0.00 C ATOM 0 H LEU A 66 -12.030 8.685 3.913 1.00 0.00 H new ATOM 0 HA LEU A 66 -11.806 7.180 1.374 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -11.863 6.010 4.173 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -11.708 5.126 2.668 1.00 0.00 H new ATOM 0 HG LEU A 66 -9.653 7.046 3.801 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -8.311 5.016 4.183 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -9.831 4.987 5.108 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -9.674 4.016 3.625 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -8.193 6.182 2.011 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -9.552 5.229 1.370 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -9.626 7.007 1.353 1.00 0.00 H new ATOM 978 N PHE A 67 -14.145 6.013 1.882 1.00 0.00 N ATOM 979 CA PHE A 67 -15.581 5.763 1.877 1.00 0.00 C ATOM 980 C PHE A 67 -15.929 4.570 2.763 1.00 0.00 C ATOM 981 O PHE A 67 -15.149 3.630 2.916 1.00 0.00 O ATOM 982 CB PHE A 67 -16.071 5.513 0.449 1.00 0.00 C ATOM 983 CG PHE A 67 -15.960 6.716 -0.442 1.00 0.00 C ATOM 984 CD1 PHE A 67 -16.329 7.971 0.016 1.00 0.00 C ATOM 985 CD2 PHE A 67 -15.487 6.594 -1.739 1.00 0.00 C ATOM 986 CE1 PHE A 67 -16.229 9.080 -0.803 1.00 0.00 C ATOM 987 CE2 PHE A 67 -15.384 7.699 -2.562 1.00 0.00 C ATOM 988 CZ PHE A 67 -15.754 8.944 -2.093 1.00 0.00 C ATOM 0 H PHE A 67 -13.593 5.313 1.386 1.00 0.00 H new ATOM 0 HA PHE A 67 -16.080 6.646 2.276 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -15.497 4.695 0.014 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -17.112 5.190 0.482 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -16.699 8.084 1.024 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -15.195 5.623 -2.111 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -16.522 10.052 -0.435 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -15.015 7.589 -3.571 1.00 0.00 H new ATOM 0 HZ PHE A 67 -15.672 9.810 -2.734 1.00 0.00 H new ATOM 998 N PRO A 68 -17.129 4.608 3.361 1.00 0.00 N ATOM 999 CA PRO A 68 -17.609 3.539 4.242 1.00 0.00 C ATOM 1000 C PRO A 68 -17.921 2.256 3.479 1.00 0.00 C ATOM 1001 O PRO A 68 -18.737 2.254 2.558 1.00 0.00 O ATOM 1002 CB PRO A 68 -18.886 4.125 4.848 1.00 0.00 C ATOM 1003 CG PRO A 68 -19.353 5.129 3.851 1.00 0.00 C ATOM 1004 CD PRO A 68 -18.110 5.698 3.224 1.00 0.00 C ATOM 0 HA PRO A 68 -16.862 3.255 4.983 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -19.637 3.352 5.013 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -18.689 4.589 5.814 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -19.992 4.665 3.100 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -19.941 5.911 4.331 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -18.272 5.964 2.179 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -17.780 6.602 3.735 1.00 0.00 H new ATOM 1012 N SER A 69 -17.267 1.167 3.869 1.00 0.00 N ATOM 1013 CA SER A 69 -17.472 -0.122 3.220 1.00 0.00 C ATOM 1014 C SER A 69 -17.085 -0.056 1.746 1.00 0.00 C ATOM 1015 O SER A 69 -17.736 -0.658 0.892 1.00 0.00 O ATOM 1016 CB SER A 69 -18.932 -0.558 3.356 1.00 0.00 C ATOM 1017 OG SER A 69 -19.121 -1.871 2.856 1.00 0.00 O ATOM 0 H SER A 69 -16.590 1.152 4.632 1.00 0.00 H new ATOM 0 HA SER A 69 -16.833 -0.855 3.713 1.00 0.00 H new ATOM 0 HB2 SER A 69 -19.231 -0.518 4.404 1.00 0.00 H new ATOM 0 HB3 SER A 69 -19.574 0.137 2.815 1.00 0.00 H new ATOM 0 HG SER A 69 -18.821 -1.912 1.924 1.00 0.00 H new ATOM 1023 N THR A 70 -16.018 0.682 1.453 1.00 0.00 N ATOM 1024 CA THR A 70 -15.542 0.829 0.084 1.00 0.00 C ATOM 1025 C THR A 70 -14.165 0.200 -0.091 1.00 0.00 C ATOM 1026 O THR A 70 -13.209 0.578 0.584 1.00 0.00 O ATOM 1027 CB THR A 70 -15.473 2.311 -0.331 1.00 0.00 C ATOM 1028 OG1 THR A 70 -16.787 2.882 -0.329 1.00 0.00 O ATOM 1029 CG2 THR A 70 -14.852 2.459 -1.711 1.00 0.00 C ATOM 0 H THR A 70 -15.467 1.187 2.147 1.00 0.00 H new ATOM 0 HA THR A 70 -16.258 0.313 -0.556 1.00 0.00 H new ATOM 0 HB THR A 70 -14.847 2.838 0.389 1.00 0.00 H new ATOM 0 HG1 THR A 70 -16.942 3.350 -1.176 1.00 0.00 H new ATOM 0 HG21 THR A 70 -14.814 3.514 -1.982 1.00 0.00 H new ATOM 0 HG22 THR A 70 -13.841 2.051 -1.701 1.00 0.00 H new ATOM 0 HG23 THR A 70 -15.455 1.918 -2.441 1.00 0.00 H new ATOM 1037 N SER A 71 -14.071 -0.763 -1.003 1.00 0.00 N ATOM 1038 CA SER A 71 -12.811 -1.448 -1.264 1.00 0.00 C ATOM 1039 C SER A 71 -11.787 -0.490 -1.866 1.00 0.00 C ATOM 1040 O SER A 71 -12.115 0.324 -2.730 1.00 0.00 O ATOM 1041 CB SER A 71 -13.035 -2.632 -2.207 1.00 0.00 C ATOM 1042 OG SER A 71 -11.872 -3.436 -2.302 1.00 0.00 O ATOM 0 H SER A 71 -14.853 -1.086 -1.573 1.00 0.00 H new ATOM 0 HA SER A 71 -12.423 -1.818 -0.315 1.00 0.00 H new ATOM 0 HB2 SER A 71 -13.869 -3.235 -1.847 1.00 0.00 H new ATOM 0 HB3 SER A 71 -13.310 -2.266 -3.196 1.00 0.00 H new ATOM 0 HG SER A 71 -12.042 -4.186 -2.909 1.00 0.00 H new ATOM 1048 N TYR A 72 -10.546 -0.594 -1.404 1.00 0.00 N ATOM 1049 CA TYR A 72 -9.474 0.264 -1.894 1.00 0.00 C ATOM 1050 C TYR A 72 -8.230 -0.555 -2.227 1.00 0.00 C ATOM 1051 O TYR A 72 -7.863 -1.472 -1.494 1.00 0.00 O ATOM 1052 CB TYR A 72 -9.132 1.332 -0.855 1.00 0.00 C ATOM 1053 CG TYR A 72 -10.047 2.535 -0.898 1.00 0.00 C ATOM 1054 CD1 TYR A 72 -9.807 3.584 -1.777 1.00 0.00 C ATOM 1055 CD2 TYR A 72 -11.153 2.621 -0.061 1.00 0.00 C ATOM 1056 CE1 TYR A 72 -10.641 4.685 -1.820 1.00 0.00 C ATOM 1057 CE2 TYR A 72 -11.993 3.718 -0.098 1.00 0.00 C ATOM 1058 CZ TYR A 72 -11.732 4.747 -0.979 1.00 0.00 C ATOM 1059 OH TYR A 72 -12.565 5.841 -1.019 1.00 0.00 O ATOM 0 H TYR A 72 -10.258 -1.264 -0.691 1.00 0.00 H new ATOM 0 HA TYR A 72 -9.821 0.751 -2.805 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -9.177 0.887 0.139 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -8.105 1.662 -1.010 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -8.954 3.538 -2.438 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -11.360 1.817 0.630 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -10.439 5.492 -2.508 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -12.849 3.769 0.559 1.00 0.00 H new ATOM 0 HH TYR A 72 -13.447 5.569 -1.348 1.00 0.00 H new ATOM 1069 N ASN A 73 -7.586 -0.215 -3.339 1.00 0.00 N ATOM 1070 CA ASN A 73 -6.383 -0.917 -3.770 1.00 0.00 C ATOM 1071 C ASN A 73 -5.165 0.000 -3.708 1.00 0.00 C ATOM 1072 O ASN A 73 -4.982 0.864 -4.566 1.00 0.00 O ATOM 1073 CB ASN A 73 -6.561 -1.451 -5.193 1.00 0.00 C ATOM 1074 CG ASN A 73 -5.310 -2.127 -5.718 1.00 0.00 C ATOM 1075 OD1 ASN A 73 -4.654 -2.886 -5.003 1.00 0.00 O ATOM 1076 ND2 ASN A 73 -4.972 -1.854 -6.973 1.00 0.00 N ATOM 0 H ASN A 73 -7.877 0.542 -3.958 1.00 0.00 H new ATOM 0 HA ASN A 73 -6.219 -1.755 -3.092 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -7.389 -2.160 -5.211 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -6.831 -0.629 -5.855 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -4.139 -2.279 -7.381 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -5.545 -1.219 -7.529 1.00 0.00 H new ATOM 1083 N ALA A 74 -4.336 -0.194 -2.688 1.00 0.00 N ATOM 1084 CA ALA A 74 -3.135 0.613 -2.516 1.00 0.00 C ATOM 1085 C ALA A 74 -1.910 -0.097 -3.081 1.00 0.00 C ATOM 1086 O ALA A 74 -1.857 -1.326 -3.122 1.00 0.00 O ATOM 1087 CB ALA A 74 -2.926 0.941 -1.045 1.00 0.00 C ATOM 0 H ALA A 74 -4.474 -0.903 -1.968 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.270 1.543 -3.069 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -2.025 1.544 -0.931 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -3.785 1.498 -0.671 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.818 0.016 -0.478 1.00 0.00 H new ATOM 1093 N ARG A 75 -0.927 0.684 -3.516 1.00 0.00 N ATOM 1094 CA ARG A 75 0.297 0.129 -4.081 1.00 0.00 C ATOM 1095 C ARG A 75 1.527 0.829 -3.508 1.00 0.00 C ATOM 1096 O ARG A 75 1.536 2.048 -3.336 1.00 0.00 O ATOM 1097 CB ARG A 75 0.287 0.260 -5.605 1.00 0.00 C ATOM 1098 CG ARG A 75 1.262 -0.674 -6.303 1.00 0.00 C ATOM 1099 CD ARG A 75 1.328 -0.394 -7.797 1.00 0.00 C ATOM 1100 NE ARG A 75 0.034 -0.583 -8.447 1.00 0.00 N ATOM 1101 CZ ARG A 75 -0.132 -0.596 -9.765 1.00 0.00 C ATOM 1102 NH1 ARG A 75 0.910 -0.431 -10.568 1.00 0.00 N ATOM 1103 NH2 ARG A 75 -1.341 -0.774 -10.281 1.00 0.00 N ATOM 0 H ARG A 75 -0.954 1.703 -3.488 1.00 0.00 H new ATOM 0 HA ARG A 75 0.343 -0.927 -3.814 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -0.720 0.060 -5.972 1.00 0.00 H new ATOM 0 HB3 ARG A 75 0.526 1.289 -5.874 1.00 0.00 H new ATOM 0 HG2 ARG A 75 2.254 -0.559 -5.866 1.00 0.00 H new ATOM 0 HG3 ARG A 75 0.959 -1.708 -6.138 1.00 0.00 H new ATOM 0 HD2 ARG A 75 1.669 0.628 -7.959 1.00 0.00 H new ATOM 0 HD3 ARG A 75 2.064 -1.053 -8.257 1.00 0.00 H new ATOM 0 HE ARG A 75 -0.788 -0.712 -7.857 1.00 0.00 H new ATOM 0 HH11 ARG A 75 1.841 -0.294 -10.174 1.00 0.00 H new ATOM 0 HH12 ARG A 75 0.781 -0.441 -11.580 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -2.144 -0.901 -9.666 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -1.467 -0.784 -11.293 1.00 0.00 H new ATOM 1117 N LEU A 76 2.561 0.049 -3.214 1.00 0.00 N ATOM 1118 CA LEU A 76 3.796 0.593 -2.660 1.00 0.00 C ATOM 1119 C LEU A 76 4.950 0.440 -3.646 1.00 0.00 C ATOM 1120 O LEU A 76 5.408 -0.671 -3.910 1.00 0.00 O ATOM 1121 CB LEU A 76 4.139 -0.106 -1.343 1.00 0.00 C ATOM 1122 CG LEU A 76 5.365 0.426 -0.600 1.00 0.00 C ATOM 1123 CD1 LEU A 76 5.068 1.784 0.018 1.00 0.00 C ATOM 1124 CD2 LEU A 76 5.812 -0.562 0.467 1.00 0.00 C ATOM 0 H LEU A 76 2.569 -0.962 -3.350 1.00 0.00 H new ATOM 0 HA LEU A 76 3.643 1.656 -2.471 1.00 0.00 H new ATOM 0 HB2 LEU A 76 3.277 -0.032 -0.680 1.00 0.00 H new ATOM 0 HB3 LEU A 76 4.294 -1.165 -1.547 1.00 0.00 H new ATOM 0 HG LEU A 76 6.177 0.547 -1.318 1.00 0.00 H new ATOM 0 HD11 LEU A 76 5.952 2.146 0.542 1.00 0.00 H new ATOM 0 HD12 LEU A 76 4.797 2.490 -0.767 1.00 0.00 H new ATOM 0 HD13 LEU A 76 4.241 1.690 0.722 1.00 0.00 H new ATOM 0 HD21 LEU A 76 6.686 -0.167 0.986 1.00 0.00 H new ATOM 0 HD22 LEU A 76 5.004 -0.715 1.182 1.00 0.00 H new ATOM 0 HD23 LEU A 76 6.067 -1.513 -0.001 1.00 0.00 H new ATOM 1136 N GLN A 77 5.414 1.562 -4.185 1.00 0.00 N ATOM 1137 CA GLN A 77 6.515 1.551 -5.141 1.00 0.00 C ATOM 1138 C GLN A 77 7.619 2.512 -4.710 1.00 0.00 C ATOM 1139 O GLN A 77 7.367 3.689 -4.457 1.00 0.00 O ATOM 1140 CB GLN A 77 6.012 1.927 -6.536 1.00 0.00 C ATOM 1141 CG GLN A 77 6.810 1.290 -7.662 1.00 0.00 C ATOM 1142 CD GLN A 77 6.453 1.857 -9.022 1.00 0.00 C ATOM 1143 OE1 GLN A 77 5.727 2.846 -9.124 1.00 0.00 O ATOM 1144 NE2 GLN A 77 6.964 1.232 -10.077 1.00 0.00 N ATOM 0 H GLN A 77 5.045 2.490 -3.976 1.00 0.00 H new ATOM 0 HA GLN A 77 6.927 0.542 -5.171 1.00 0.00 H new ATOM 0 HB2 GLN A 77 4.967 1.630 -6.629 1.00 0.00 H new ATOM 0 HB3 GLN A 77 6.046 3.011 -6.646 1.00 0.00 H new ATOM 0 HG2 GLN A 77 7.874 1.439 -7.478 1.00 0.00 H new ATOM 0 HG3 GLN A 77 6.635 0.214 -7.663 1.00 0.00 H new ATOM 0 HE21 GLN A 77 7.561 0.416 -9.946 1.00 0.00 H new ATOM 0 HE22 GLN A 77 6.759 1.569 -11.018 1.00 0.00 H new ATOM 1153 N ALA A 78 8.843 2.001 -4.630 1.00 0.00 N ATOM 1154 CA ALA A 78 9.986 2.814 -4.232 1.00 0.00 C ATOM 1155 C ALA A 78 10.828 3.206 -5.441 1.00 0.00 C ATOM 1156 O ALA A 78 11.053 2.398 -6.341 1.00 0.00 O ATOM 1157 CB ALA A 78 10.836 2.067 -3.214 1.00 0.00 C ATOM 0 H ALA A 78 9.069 1.028 -4.835 1.00 0.00 H new ATOM 0 HA ALA A 78 9.609 3.728 -3.773 1.00 0.00 H new ATOM 0 HB1 ALA A 78 11.686 2.686 -2.926 1.00 0.00 H new ATOM 0 HB2 ALA A 78 10.235 1.843 -2.333 1.00 0.00 H new ATOM 0 HB3 ALA A 78 11.197 1.137 -3.654 1.00 0.00 H new ATOM 1163 N MET A 79 11.291 4.452 -5.454 1.00 0.00 N ATOM 1164 CA MET A 79 12.109 4.951 -6.554 1.00 0.00 C ATOM 1165 C MET A 79 13.572 4.567 -6.360 1.00 0.00 C ATOM 1166 O MET A 79 14.203 4.962 -5.379 1.00 0.00 O ATOM 1167 CB MET A 79 11.979 6.472 -6.665 1.00 0.00 C ATOM 1168 CG MET A 79 10.558 6.976 -6.473 1.00 0.00 C ATOM 1169 SD MET A 79 10.397 8.741 -6.805 1.00 0.00 S ATOM 1170 CE MET A 79 9.764 9.324 -5.234 1.00 0.00 C ATOM 0 H MET A 79 11.114 5.134 -4.716 1.00 0.00 H new ATOM 0 HA MET A 79 11.751 4.495 -7.477 1.00 0.00 H new ATOM 0 HB2 MET A 79 12.625 6.939 -5.921 1.00 0.00 H new ATOM 0 HB3 MET A 79 12.339 6.789 -7.644 1.00 0.00 H new ATOM 0 HG2 MET A 79 9.888 6.424 -7.132 1.00 0.00 H new ATOM 0 HG3 MET A 79 10.239 6.772 -5.451 1.00 0.00 H new ATOM 0 HE1 MET A 79 9.025 10.106 -5.407 1.00 0.00 H new ATOM 0 HE2 MET A 79 9.298 8.496 -4.700 1.00 0.00 H new ATOM 0 HE3 MET A 79 10.584 9.725 -4.638 1.00 0.00 H new ATOM 1180 N TRP A 80 14.106 3.795 -7.300 1.00 0.00 N ATOM 1181 CA TRP A 80 15.495 3.357 -7.231 1.00 0.00 C ATOM 1182 C TRP A 80 16.278 3.840 -8.447 1.00 0.00 C ATOM 1183 O TRP A 80 16.122 3.312 -9.548 1.00 0.00 O ATOM 1184 CB TRP A 80 15.567 1.833 -7.135 1.00 0.00 C ATOM 1185 CG TRP A 80 15.483 1.321 -5.729 1.00 0.00 C ATOM 1186 CD1 TRP A 80 16.489 1.295 -4.805 1.00 0.00 C ATOM 1187 CD2 TRP A 80 14.332 0.762 -5.088 1.00 0.00 C ATOM 1188 NE1 TRP A 80 16.031 0.752 -3.628 1.00 0.00 N ATOM 1189 CE2 TRP A 80 14.711 0.418 -3.776 1.00 0.00 C ATOM 1190 CE3 TRP A 80 13.016 0.520 -5.494 1.00 0.00 C ATOM 1191 CZ2 TRP A 80 13.822 -0.155 -2.870 1.00 0.00 C ATOM 1192 CZ3 TRP A 80 12.136 -0.050 -4.594 1.00 0.00 C ATOM 1193 CH2 TRP A 80 12.541 -0.381 -3.294 1.00 0.00 C ATOM 0 H TRP A 80 13.598 3.460 -8.119 1.00 0.00 H new ATOM 0 HA TRP A 80 15.943 3.791 -6.337 1.00 0.00 H new ATOM 0 HB2 TRP A 80 14.756 1.401 -7.720 1.00 0.00 H new ATOM 0 HB3 TRP A 80 16.500 1.492 -7.583 1.00 0.00 H new ATOM 0 HD1 TRP A 80 17.495 1.649 -4.974 1.00 0.00 H new ATOM 0 HE1 TRP A 80 16.585 0.619 -2.782 1.00 0.00 H new ATOM 0 HE3 TRP A 80 12.693 0.774 -6.493 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 14.133 -0.412 -1.868 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 11.118 -0.244 -4.898 1.00 0.00 H new ATOM 0 HH2 TRP A 80 11.828 -0.823 -2.614 1.00 0.00 H new ATOM 1204 N GLY A 81 17.122 4.847 -8.241 1.00 0.00 N ATOM 1205 CA GLY A 81 17.917 5.383 -9.331 1.00 0.00 C ATOM 1206 C GLY A 81 17.096 5.631 -10.580 1.00 0.00 C ATOM 1207 O GLY A 81 16.300 6.569 -10.631 1.00 0.00 O ATOM 0 H GLY A 81 17.269 5.301 -7.339 1.00 0.00 H new ATOM 0 HA2 GLY A 81 18.381 6.317 -9.013 1.00 0.00 H new ATOM 0 HA3 GLY A 81 18.725 4.689 -9.563 1.00 0.00 H new ATOM 1211 N GLN A 82 17.290 4.790 -11.591 1.00 0.00 N ATOM 1212 CA GLN A 82 16.562 4.925 -12.847 1.00 0.00 C ATOM 1213 C GLN A 82 15.510 3.831 -12.987 1.00 0.00 C ATOM 1214 O GLN A 82 14.475 4.029 -13.623 1.00 0.00 O ATOM 1215 CB GLN A 82 17.531 4.872 -14.030 1.00 0.00 C ATOM 1216 CG GLN A 82 18.345 3.590 -14.093 1.00 0.00 C ATOM 1217 CD GLN A 82 19.599 3.736 -14.932 1.00 0.00 C ATOM 1218 OE1 GLN A 82 19.733 3.109 -15.983 1.00 0.00 O ATOM 1219 NE2 GLN A 82 20.527 4.566 -14.470 1.00 0.00 N ATOM 0 H GLN A 82 17.945 4.008 -11.565 1.00 0.00 H new ATOM 0 HA GLN A 82 16.056 5.891 -12.843 1.00 0.00 H new ATOM 0 HB2 GLN A 82 16.967 4.980 -14.956 1.00 0.00 H new ATOM 0 HB3 GLN A 82 18.211 5.722 -13.970 1.00 0.00 H new ATOM 0 HG2 GLN A 82 18.622 3.290 -13.082 1.00 0.00 H new ATOM 0 HG3 GLN A 82 17.728 2.792 -14.505 1.00 0.00 H new ATOM 0 HE21 GLN A 82 20.374 5.065 -13.594 1.00 0.00 H new ATOM 0 HE22 GLN A 82 21.393 4.704 -14.991 1.00 0.00 H new ATOM 1228 N SER A 83 15.782 2.675 -12.389 1.00 0.00 N ATOM 1229 CA SER A 83 14.860 1.547 -12.450 1.00 0.00 C ATOM 1230 C SER A 83 13.790 1.661 -11.369 1.00 0.00 C ATOM 1231 O SER A 83 13.977 2.348 -10.363 1.00 0.00 O ATOM 1232 CB SER A 83 15.621 0.230 -12.293 1.00 0.00 C ATOM 1233 OG SER A 83 16.220 -0.162 -13.517 1.00 0.00 O ATOM 0 H SER A 83 16.633 2.495 -11.857 1.00 0.00 H new ATOM 0 HA SER A 83 14.371 1.562 -13.424 1.00 0.00 H new ATOM 0 HB2 SER A 83 16.389 0.339 -11.527 1.00 0.00 H new ATOM 0 HB3 SER A 83 14.939 -0.549 -11.952 1.00 0.00 H new ATOM 0 HG SER A 83 16.702 -1.006 -13.390 1.00 0.00 H new ATOM 1239 N LEU A 84 12.668 0.983 -11.582 1.00 0.00 N ATOM 1240 CA LEU A 84 11.566 1.006 -10.627 1.00 0.00 C ATOM 1241 C LEU A 84 11.201 -0.406 -10.181 1.00 0.00 C ATOM 1242 O LEU A 84 10.421 -1.095 -10.840 1.00 0.00 O ATOM 1243 CB LEU A 84 10.344 1.690 -11.243 1.00 0.00 C ATOM 1244 CG LEU A 84 10.506 3.171 -11.587 1.00 0.00 C ATOM 1245 CD1 LEU A 84 9.434 3.611 -12.573 1.00 0.00 C ATOM 1246 CD2 LEU A 84 10.454 4.020 -10.325 1.00 0.00 C ATOM 0 H LEU A 84 12.497 0.410 -12.408 1.00 0.00 H new ATOM 0 HA LEU A 84 11.889 1.571 -9.753 1.00 0.00 H new ATOM 0 HB2 LEU A 84 10.073 1.154 -12.152 1.00 0.00 H new ATOM 0 HB3 LEU A 84 9.508 1.588 -10.551 1.00 0.00 H new ATOM 0 HG LEU A 84 11.480 3.311 -12.055 1.00 0.00 H new ATOM 0 HD11 LEU A 84 9.565 4.668 -12.806 1.00 0.00 H new ATOM 0 HD12 LEU A 84 9.518 3.025 -13.488 1.00 0.00 H new ATOM 0 HD13 LEU A 84 8.449 3.456 -12.133 1.00 0.00 H new ATOM 0 HD21 LEU A 84 10.571 5.071 -10.589 1.00 0.00 H new ATOM 0 HD22 LEU A 84 9.495 3.875 -9.828 1.00 0.00 H new ATOM 0 HD23 LEU A 84 11.259 3.723 -9.653 1.00 0.00 H new ATOM 1258 N LEU A 85 11.768 -0.831 -9.058 1.00 0.00 N ATOM 1259 CA LEU A 85 11.502 -2.162 -8.522 1.00 0.00 C ATOM 1260 C LEU A 85 10.008 -2.468 -8.544 1.00 0.00 C ATOM 1261 O LEU A 85 9.164 -1.573 -8.490 1.00 0.00 O ATOM 1262 CB LEU A 85 12.035 -2.274 -7.092 1.00 0.00 C ATOM 1263 CG LEU A 85 13.536 -2.040 -6.916 1.00 0.00 C ATOM 1264 CD1 LEU A 85 13.956 -2.326 -5.483 1.00 0.00 C ATOM 1265 CD2 LEU A 85 14.328 -2.902 -7.888 1.00 0.00 C ATOM 0 H LEU A 85 12.415 -0.274 -8.500 1.00 0.00 H new ATOM 0 HA LEU A 85 12.014 -2.889 -9.152 1.00 0.00 H new ATOM 0 HB2 LEU A 85 11.500 -1.557 -6.469 1.00 0.00 H new ATOM 0 HB3 LEU A 85 11.795 -3.267 -6.713 1.00 0.00 H new ATOM 0 HG LEU A 85 13.749 -0.993 -7.133 1.00 0.00 H new ATOM 0 HD11 LEU A 85 15.027 -2.154 -5.377 1.00 0.00 H new ATOM 0 HD12 LEU A 85 13.414 -1.666 -4.806 1.00 0.00 H new ATOM 0 HD13 LEU A 85 13.729 -3.363 -5.237 1.00 0.00 H new ATOM 0 HD21 LEU A 85 15.394 -2.722 -7.748 1.00 0.00 H new ATOM 0 HD22 LEU A 85 14.110 -3.954 -7.702 1.00 0.00 H new ATOM 0 HD23 LEU A 85 14.048 -2.648 -8.910 1.00 0.00 H new ATOM 1277 N PRO A 86 9.670 -3.764 -8.624 1.00 0.00 N ATOM 1278 CA PRO A 86 8.277 -4.219 -8.653 1.00 0.00 C ATOM 1279 C PRO A 86 7.574 -4.017 -7.315 1.00 0.00 C ATOM 1280 O PRO A 86 7.868 -4.686 -6.324 1.00 0.00 O ATOM 1281 CB PRO A 86 8.398 -5.711 -8.974 1.00 0.00 C ATOM 1282 CG PRO A 86 9.753 -6.094 -8.489 1.00 0.00 C ATOM 1283 CD PRO A 86 10.623 -4.885 -8.692 1.00 0.00 C ATOM 0 HA PRO A 86 7.680 -3.661 -9.375 1.00 0.00 H new ATOM 0 HB2 PRO A 86 7.621 -6.288 -8.473 1.00 0.00 H new ATOM 0 HB3 PRO A 86 8.293 -5.896 -10.043 1.00 0.00 H new ATOM 0 HG2 PRO A 86 9.724 -6.382 -7.438 1.00 0.00 H new ATOM 0 HG3 PRO A 86 10.138 -6.950 -9.044 1.00 0.00 H new ATOM 0 HD2 PRO A 86 11.390 -4.808 -7.921 1.00 0.00 H new ATOM 0 HD3 PRO A 86 11.138 -4.917 -9.652 1.00 0.00 H new ATOM 1291 N PRO A 87 6.621 -3.074 -7.283 1.00 0.00 N ATOM 1292 CA PRO A 87 5.855 -2.763 -6.072 1.00 0.00 C ATOM 1293 C PRO A 87 4.895 -3.884 -5.690 1.00 0.00 C ATOM 1294 O PRO A 87 4.816 -4.907 -6.371 1.00 0.00 O ATOM 1295 CB PRO A 87 5.078 -1.502 -6.457 1.00 0.00 C ATOM 1296 CG PRO A 87 4.962 -1.568 -7.941 1.00 0.00 C ATOM 1297 CD PRO A 87 6.217 -2.238 -8.426 1.00 0.00 C ATOM 0 HA PRO A 87 6.501 -2.633 -5.204 1.00 0.00 H new ATOM 0 HB2 PRO A 87 4.096 -1.482 -5.984 1.00 0.00 H new ATOM 0 HB3 PRO A 87 5.603 -0.601 -6.140 1.00 0.00 H new ATOM 0 HG2 PRO A 87 4.078 -2.133 -8.238 1.00 0.00 H new ATOM 0 HG3 PRO A 87 4.862 -0.571 -8.369 1.00 0.00 H new ATOM 0 HD2 PRO A 87 6.034 -2.838 -9.317 1.00 0.00 H new ATOM 0 HD3 PRO A 87 6.987 -1.511 -8.684 1.00 0.00 H new ATOM 1305 N VAL A 88 4.166 -3.686 -4.596 1.00 0.00 N ATOM 1306 CA VAL A 88 3.210 -4.680 -4.124 1.00 0.00 C ATOM 1307 C VAL A 88 1.829 -4.065 -3.928 1.00 0.00 C ATOM 1308 O VAL A 88 1.687 -3.021 -3.290 1.00 0.00 O ATOM 1309 CB VAL A 88 3.669 -5.316 -2.798 1.00 0.00 C ATOM 1310 CG1 VAL A 88 4.709 -6.395 -3.055 1.00 0.00 C ATOM 1311 CG2 VAL A 88 4.214 -4.251 -1.858 1.00 0.00 C ATOM 0 H VAL A 88 4.220 -2.846 -4.020 1.00 0.00 H new ATOM 0 HA VAL A 88 3.155 -5.454 -4.890 1.00 0.00 H new ATOM 0 HB VAL A 88 2.807 -5.783 -2.321 1.00 0.00 H new ATOM 0 HG11 VAL A 88 5.021 -6.833 -2.107 1.00 0.00 H new ATOM 0 HG12 VAL A 88 4.279 -7.171 -3.689 1.00 0.00 H new ATOM 0 HG13 VAL A 88 5.573 -5.956 -3.554 1.00 0.00 H new ATOM 0 HG21 VAL A 88 4.534 -4.717 -0.926 1.00 0.00 H new ATOM 0 HG22 VAL A 88 5.064 -3.754 -2.325 1.00 0.00 H new ATOM 0 HG23 VAL A 88 3.435 -3.518 -1.648 1.00 0.00 H new ATOM 1321 N SER A 89 0.812 -4.718 -4.481 1.00 0.00 N ATOM 1322 CA SER A 89 -0.559 -4.233 -4.371 1.00 0.00 C ATOM 1323 C SER A 89 -1.362 -5.093 -3.400 1.00 0.00 C ATOM 1324 O SER A 89 -1.177 -6.308 -3.328 1.00 0.00 O ATOM 1325 CB SER A 89 -1.233 -4.229 -5.744 1.00 0.00 C ATOM 1326 OG SER A 89 -1.560 -5.545 -6.156 1.00 0.00 O ATOM 0 H SER A 89 0.911 -5.584 -5.010 1.00 0.00 H new ATOM 0 HA SER A 89 -0.528 -3.213 -3.987 1.00 0.00 H new ATOM 0 HB2 SER A 89 -2.137 -3.621 -5.707 1.00 0.00 H new ATOM 0 HB3 SER A 89 -0.570 -3.770 -6.477 1.00 0.00 H new ATOM 0 HG SER A 89 -1.991 -5.515 -7.036 1.00 0.00 H new ATOM 1332 N THR A 90 -2.257 -4.453 -2.653 1.00 0.00 N ATOM 1333 CA THR A 90 -3.088 -5.157 -1.685 1.00 0.00 C ATOM 1334 C THR A 90 -4.501 -4.583 -1.653 1.00 0.00 C ATOM 1335 O THR A 90 -4.702 -3.390 -1.881 1.00 0.00 O ATOM 1336 CB THR A 90 -2.486 -5.085 -0.269 1.00 0.00 C ATOM 1337 OG1 THR A 90 -3.127 -6.039 0.585 1.00 0.00 O ATOM 1338 CG2 THR A 90 -2.641 -3.689 0.315 1.00 0.00 C ATOM 0 H THR A 90 -2.424 -3.448 -2.700 1.00 0.00 H new ATOM 0 HA THR A 90 -3.128 -6.199 -2.002 1.00 0.00 H new ATOM 0 HB THR A 90 -1.423 -5.316 -0.338 1.00 0.00 H new ATOM 0 HG1 THR A 90 -2.737 -5.988 1.483 1.00 0.00 H new ATOM 0 HG21 THR A 90 -2.208 -3.663 1.315 1.00 0.00 H new ATOM 0 HG22 THR A 90 -2.127 -2.969 -0.322 1.00 0.00 H new ATOM 0 HG23 THR A 90 -3.699 -3.433 0.371 1.00 0.00 H new ATOM 1346 N SER A 91 -5.476 -5.441 -1.370 1.00 0.00 N ATOM 1347 CA SER A 91 -6.871 -5.019 -1.311 1.00 0.00 C ATOM 1348 C SER A 91 -7.375 -5.008 0.128 1.00 0.00 C ATOM 1349 O SER A 91 -7.246 -5.996 0.852 1.00 0.00 O ATOM 1350 CB SER A 91 -7.742 -5.947 -2.161 1.00 0.00 C ATOM 1351 OG SER A 91 -7.490 -7.307 -1.854 1.00 0.00 O ATOM 0 H SER A 91 -5.326 -6.432 -1.178 1.00 0.00 H new ATOM 0 HA SER A 91 -6.936 -4.006 -1.708 1.00 0.00 H new ATOM 0 HB2 SER A 91 -8.794 -5.721 -1.989 1.00 0.00 H new ATOM 0 HB3 SER A 91 -7.546 -5.767 -3.218 1.00 0.00 H new ATOM 0 HG SER A 91 -7.398 -7.412 -0.884 1.00 0.00 H new ATOM 1357 N PHE A 92 -7.951 -3.882 0.538 1.00 0.00 N ATOM 1358 CA PHE A 92 -8.474 -3.740 1.892 1.00 0.00 C ATOM 1359 C PHE A 92 -9.815 -3.011 1.882 1.00 0.00 C ATOM 1360 O PHE A 92 -9.997 -2.029 1.161 1.00 0.00 O ATOM 1361 CB PHE A 92 -7.476 -2.984 2.771 1.00 0.00 C ATOM 1362 CG PHE A 92 -7.315 -1.540 2.389 1.00 0.00 C ATOM 1363 CD1 PHE A 92 -6.506 -1.177 1.324 1.00 0.00 C ATOM 1364 CD2 PHE A 92 -7.972 -0.545 3.095 1.00 0.00 C ATOM 1365 CE1 PHE A 92 -6.355 0.151 0.970 1.00 0.00 C ATOM 1366 CE2 PHE A 92 -7.826 0.784 2.745 1.00 0.00 C ATOM 1367 CZ PHE A 92 -7.016 1.132 1.683 1.00 0.00 C ATOM 0 H PHE A 92 -8.067 -3.055 -0.048 1.00 0.00 H new ATOM 0 HA PHE A 92 -8.625 -4.738 2.303 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -7.801 -3.043 3.810 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -6.506 -3.477 2.713 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -5.987 -1.941 0.764 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -8.605 -0.811 3.928 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -5.722 0.421 0.138 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -8.345 1.550 3.302 1.00 0.00 H new ATOM 0 HZ PHE A 92 -6.899 2.170 1.410 1.00 0.00 H new ATOM 1377 N THR A 93 -10.753 -3.499 2.689 1.00 0.00 N ATOM 1378 CA THR A 93 -12.077 -2.896 2.773 1.00 0.00 C ATOM 1379 C THR A 93 -12.252 -2.134 4.082 1.00 0.00 C ATOM 1380 O THR A 93 -11.807 -2.583 5.139 1.00 0.00 O ATOM 1381 CB THR A 93 -13.186 -3.960 2.660 1.00 0.00 C ATOM 1382 OG1 THR A 93 -13.025 -4.707 1.449 1.00 0.00 O ATOM 1383 CG2 THR A 93 -14.562 -3.311 2.682 1.00 0.00 C ATOM 0 H THR A 93 -10.620 -4.310 3.293 1.00 0.00 H new ATOM 0 HA THR A 93 -12.162 -2.202 1.937 1.00 0.00 H new ATOM 0 HB THR A 93 -13.105 -4.631 3.515 1.00 0.00 H new ATOM 0 HG1 THR A 93 -13.732 -5.382 1.385 1.00 0.00 H new ATOM 0 HG21 THR A 93 -15.329 -4.081 2.601 1.00 0.00 H new ATOM 0 HG22 THR A 93 -14.692 -2.766 3.617 1.00 0.00 H new ATOM 0 HG23 THR A 93 -14.652 -2.620 1.844 1.00 0.00 H new ATOM 1391 N THR A 94 -12.904 -0.978 4.005 1.00 0.00 N ATOM 1392 CA THR A 94 -13.138 -0.153 5.183 1.00 0.00 C ATOM 1393 C THR A 94 -14.404 -0.584 5.915 1.00 0.00 C ATOM 1394 O THR A 94 -15.318 -1.148 5.314 1.00 0.00 O ATOM 1395 CB THR A 94 -13.256 1.337 4.811 1.00 0.00 C ATOM 1396 OG1 THR A 94 -14.282 1.517 3.829 1.00 0.00 O ATOM 1397 CG2 THR A 94 -11.935 1.867 4.275 1.00 0.00 C ATOM 0 H THR A 94 -13.279 -0.592 3.139 1.00 0.00 H new ATOM 0 HA THR A 94 -12.278 -0.289 5.839 1.00 0.00 H new ATOM 0 HB THR A 94 -13.514 1.894 5.711 1.00 0.00 H new ATOM 0 HG1 THR A 94 -14.615 2.438 3.869 1.00 0.00 H new ATOM 0 HG21 THR A 94 -12.043 2.921 4.019 1.00 0.00 H new ATOM 0 HG22 THR A 94 -11.163 1.756 5.036 1.00 0.00 H new ATOM 0 HG23 THR A 94 -11.652 1.305 3.385 1.00 0.00 H new ATOM 1405 N GLY A 95 -14.451 -0.315 7.216 1.00 0.00 N ATOM 1406 CA GLY A 95 -15.611 -0.682 8.007 1.00 0.00 C ATOM 1407 C GLY A 95 -16.856 0.083 7.602 1.00 0.00 C ATOM 1408 O GLY A 95 -16.928 0.624 6.499 1.00 0.00 O ATOM 0 H GLY A 95 -13.707 0.150 7.736 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -15.795 -1.751 7.901 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -15.402 -0.497 9.061 1.00 0.00 H new ATOM 1412 N GLY A 96 -17.839 0.127 8.495 1.00 0.00 N ATOM 1413 CA GLY A 96 -19.074 0.831 8.205 1.00 0.00 C ATOM 1414 C GLY A 96 -19.479 1.775 9.320 1.00 0.00 C ATOM 1415 O GLY A 96 -19.439 1.412 10.496 1.00 0.00 O ATOM 0 H GLY A 96 -17.802 -0.313 9.415 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -18.958 1.395 7.280 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -19.871 0.106 8.039 1.00 0.00 H new ATOM 1419 N LEU A 97 -19.867 2.991 8.951 1.00 0.00 N ATOM 1420 CA LEU A 97 -20.279 3.992 9.929 1.00 0.00 C ATOM 1421 C LEU A 97 -21.531 3.541 10.676 1.00 0.00 C ATOM 1422 O LEU A 97 -22.639 3.607 10.145 1.00 0.00 O ATOM 1423 CB LEU A 97 -20.538 5.332 9.239 1.00 0.00 C ATOM 1424 CG LEU A 97 -19.374 5.907 8.431 1.00 0.00 C ATOM 1425 CD1 LEU A 97 -19.843 7.075 7.577 1.00 0.00 C ATOM 1426 CD2 LEU A 97 -18.245 6.338 9.355 1.00 0.00 C ATOM 0 H LEU A 97 -19.905 3.307 7.982 1.00 0.00 H new ATOM 0 HA LEU A 97 -19.471 4.112 10.651 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -21.394 5.216 8.574 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -20.822 6.060 9.999 1.00 0.00 H new ATOM 0 HG LEU A 97 -18.996 5.128 7.769 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -19.001 7.471 7.009 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -20.617 6.735 6.889 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -20.247 7.857 8.220 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -17.425 6.745 8.763 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -18.609 7.101 10.043 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -17.891 5.477 9.922 1.00 0.00 H new