USER MOD reduce.3.24.130724 H: found=0, std=0, add=847, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 847 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 Single : A 18 SER OG : rot 180:sc= 0.152 USER MOD Single : A 19 MET CE :methyl -156:sc= -1.14 (180deg=-2.58!) USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot -75:sc= 0.367 USER MOD Single : A 29 CYS SG : rot 71:sc= 0.894 USER MOD Single : A 33 HIS : no HD1:sc= -2.62 K(o=-2.6,f=-0.85) USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.037 USER MOD Single : A 40 SER OG : rot 26:sc= 0.516! USER MOD Single : A 42 MET CE :methyl -153:sc= -0.402 (180deg=-2.12!) USER MOD Single : A 43 GLN : amide:sc= -0.184 X(o=-0.18,f=-0.59) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -0.206 X(o=-0.21,f=0) USER MOD Single : A 62 ASN : amide:sc= -3.15! C(o=-3.2!,f=-6.8!) USER MOD Single : A 68 SER OG : rot -58:sc= -2.88! USER MOD Single : A 69 TYR OH : rot -86:sc= 0.873 USER MOD Single : A 79 ASN : amide:sc= -12.4! C(o=-12!,f=-16!) USER MOD Single : A 86 THR OG1 : rot -118:sc= -6.25! USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 46:sc= 0.892 USER MOD Single : A 91 LYS NZ :NH3+ 144:sc= 0 (180deg=-0.586) USER MOD Single : A 95 THR OG1 : rot 113:sc= -2.57! USER MOD Single : A 97 TYR OH : rot 60:sc= 0.589 USER MOD Single : A 98 SER OG : rot 107:sc= -0.141! USER MOD Single : A 99 ASN : amide:sc= -4.67! K(o=-4.7!,f=-2.2) USER MOD Single : A 104 THR OG1 : rot -84:sc= -1.07! USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 SER OG : rot 90:sc= -0.0344 USER MOD ----------------------------------------------------------------- ATOM 108 N ARG A 8 6.346 13.049 7.310 1.00 0.00 N ATOM 109 CA ARG A 8 6.329 12.303 6.024 1.00 0.00 C ATOM 110 C ARG A 8 5.459 11.058 6.158 1.00 0.00 C ATOM 111 O ARG A 8 5.563 10.317 7.115 1.00 0.00 O ATOM 112 CB ARG A 8 7.784 11.916 5.767 1.00 0.00 C ATOM 113 CG ARG A 8 8.645 13.179 5.738 1.00 0.00 C ATOM 114 CD ARG A 8 7.994 14.213 4.815 1.00 0.00 C ATOM 115 NE ARG A 8 8.930 15.371 4.812 1.00 0.00 N ATOM 116 CZ ARG A 8 9.080 16.089 3.732 1.00 0.00 C ATOM 117 NH1 ARG A 8 8.060 16.721 3.220 1.00 0.00 N ATOM 118 NH2 ARG A 8 10.252 16.174 3.163 1.00 0.00 N ATOM 0 HA ARG A 8 5.919 12.895 5.206 1.00 0.00 H new ATOM 0 HB2 ARG A 8 8.136 11.240 6.546 1.00 0.00 H new ATOM 0 HB3 ARG A 8 7.869 11.382 4.820 1.00 0.00 H new ATOM 0 HG2 ARG A 8 8.748 13.586 6.744 1.00 0.00 H new ATOM 0 HG3 ARG A 8 9.649 12.941 5.386 1.00 0.00 H new ATOM 0 HD2 ARG A 8 7.857 13.814 3.810 1.00 0.00 H new ATOM 0 HD3 ARG A 8 7.009 14.503 5.180 1.00 0.00 H new ATOM 0 HE ARG A 8 9.455 15.604 5.655 1.00 0.00 H new ATOM 0 HH11 ARG A 8 7.144 16.655 3.664 1.00 0.00 H new ATOM 0 HH12 ARG A 8 8.179 17.282 2.376 1.00 0.00 H new ATOM 0 HH21 ARG A 8 11.050 15.680 3.562 1.00 0.00 H new ATOM 0 HH22 ARG A 8 10.370 16.735 2.319 1.00 0.00 H new ATOM 132 N LEU A 9 4.605 10.818 5.208 1.00 0.00 N ATOM 133 CA LEU A 9 3.742 9.621 5.286 1.00 0.00 C ATOM 134 C LEU A 9 4.464 8.444 4.640 1.00 0.00 C ATOM 135 O LEU A 9 5.216 8.610 3.700 1.00 0.00 O ATOM 136 CB LEU A 9 2.478 9.985 4.509 1.00 0.00 C ATOM 137 CG LEU A 9 1.368 10.366 5.488 1.00 0.00 C ATOM 138 CD1 LEU A 9 0.701 11.663 5.027 1.00 0.00 C ATOM 139 CD2 LEU A 9 0.328 9.246 5.530 1.00 0.00 C ATOM 0 H LEU A 9 4.470 11.401 4.382 1.00 0.00 H new ATOM 0 HA LEU A 9 3.503 9.334 6.310 1.00 0.00 H new ATOM 0 HB2 LEU A 9 2.681 10.815 3.832 1.00 0.00 H new ATOM 0 HB3 LEU A 9 2.161 9.143 3.894 1.00 0.00 H new ATOM 0 HG LEU A 9 1.792 10.511 6.482 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -0.090 11.934 5.726 1.00 0.00 H new ATOM 0 HD12 LEU A 9 1.443 12.461 4.992 1.00 0.00 H new ATOM 0 HD13 LEU A 9 0.275 11.520 4.034 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -0.466 9.513 6.227 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -0.095 9.104 4.535 1.00 0.00 H new ATOM 0 HD23 LEU A 9 0.802 8.321 5.858 1.00 0.00 H new ATOM 151 N ARG A 10 4.263 7.258 5.134 1.00 0.00 N ATOM 152 CA ARG A 10 4.967 6.096 4.533 1.00 0.00 C ATOM 153 C ARG A 10 3.977 5.180 3.806 1.00 0.00 C ATOM 154 O ARG A 10 2.902 4.896 4.296 1.00 0.00 O ATOM 155 CB ARG A 10 5.605 5.365 5.717 1.00 0.00 C ATOM 156 CG ARG A 10 7.129 5.476 5.635 1.00 0.00 C ATOM 157 CD ARG A 10 7.536 6.950 5.572 1.00 0.00 C ATOM 158 NE ARG A 10 9.025 6.938 5.614 1.00 0.00 N ATOM 159 CZ ARG A 10 9.700 6.331 4.675 1.00 0.00 C ATOM 160 NH1 ARG A 10 9.103 5.965 3.574 1.00 0.00 N ATOM 161 NH2 ARG A 10 10.973 6.092 4.838 1.00 0.00 N ATOM 0 H ARG A 10 3.649 7.044 5.919 1.00 0.00 H new ATOM 0 HA ARG A 10 5.706 6.404 3.794 1.00 0.00 H new ATOM 0 HB2 ARG A 10 5.250 5.793 6.654 1.00 0.00 H new ATOM 0 HB3 ARG A 10 5.307 4.317 5.712 1.00 0.00 H new ATOM 0 HG2 ARG A 10 7.585 5.000 6.503 1.00 0.00 H new ATOM 0 HG3 ARG A 10 7.495 4.950 4.753 1.00 0.00 H new ATOM 0 HD2 ARG A 10 7.170 7.422 4.660 1.00 0.00 H new ATOM 0 HD3 ARG A 10 7.122 7.511 6.410 1.00 0.00 H new ATOM 0 HE ARG A 10 9.517 7.404 6.376 1.00 0.00 H new ATOM 0 HH11 ARG A 10 8.109 6.153 3.446 1.00 0.00 H new ATOM 0 HH12 ARG A 10 9.631 5.491 2.841 1.00 0.00 H new ATOM 0 HH21 ARG A 10 11.440 6.379 5.698 1.00 0.00 H new ATOM 0 HH22 ARG A 10 11.501 5.618 4.105 1.00 0.00 H new ATOM 175 N VAL A 11 4.336 4.712 2.642 1.00 0.00 N ATOM 176 CA VAL A 11 3.419 3.807 1.883 1.00 0.00 C ATOM 177 C VAL A 11 4.203 2.621 1.316 1.00 0.00 C ATOM 178 O VAL A 11 4.617 2.627 0.173 1.00 0.00 O ATOM 179 CB VAL A 11 2.826 4.647 0.740 1.00 0.00 C ATOM 180 CG1 VAL A 11 1.464 5.196 1.167 1.00 0.00 C ATOM 181 CG2 VAL A 11 3.757 5.815 0.387 1.00 0.00 C ATOM 0 H VAL A 11 5.223 4.915 2.182 1.00 0.00 H new ATOM 0 HA VAL A 11 2.635 3.408 2.526 1.00 0.00 H new ATOM 0 HB VAL A 11 2.713 4.011 -0.138 1.00 0.00 H new ATOM 0 HG11 VAL A 11 1.042 5.792 0.358 1.00 0.00 H new ATOM 0 HG12 VAL A 11 0.793 4.368 1.396 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.585 5.820 2.052 1.00 0.00 H new ATOM 0 HG21 VAL A 11 3.319 6.397 -0.424 1.00 0.00 H new ATOM 0 HG22 VAL A 11 3.888 6.453 1.261 1.00 0.00 H new ATOM 0 HG23 VAL A 11 4.726 5.426 0.073 1.00 0.00 H new ATOM 191 N LEU A 12 4.401 1.598 2.100 1.00 0.00 N ATOM 192 CA LEU A 12 5.152 0.412 1.600 1.00 0.00 C ATOM 193 C LEU A 12 4.316 -0.315 0.552 1.00 0.00 C ATOM 194 O LEU A 12 3.592 -1.243 0.854 1.00 0.00 O ATOM 195 CB LEU A 12 5.360 -0.472 2.828 1.00 0.00 C ATOM 196 CG LEU A 12 5.978 0.355 3.955 1.00 0.00 C ATOM 197 CD1 LEU A 12 5.045 0.344 5.168 1.00 0.00 C ATOM 198 CD2 LEU A 12 7.328 -0.249 4.345 1.00 0.00 C ATOM 0 H LEU A 12 4.076 1.532 3.064 1.00 0.00 H new ATOM 0 HA LEU A 12 6.099 0.680 1.132 1.00 0.00 H new ATOM 0 HB2 LEU A 12 4.408 -0.892 3.152 1.00 0.00 H new ATOM 0 HB3 LEU A 12 6.011 -1.310 2.579 1.00 0.00 H new ATOM 0 HG LEU A 12 6.121 1.381 3.617 1.00 0.00 H new ATOM 0 HD11 LEU A 12 5.486 0.934 5.972 1.00 0.00 H new ATOM 0 HD12 LEU A 12 4.082 0.772 4.890 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.902 -0.682 5.507 1.00 0.00 H new ATOM 0 HD21 LEU A 12 7.771 0.339 5.149 1.00 0.00 H new ATOM 0 HD22 LEU A 12 7.183 -1.275 4.683 1.00 0.00 H new ATOM 0 HD23 LEU A 12 7.993 -0.242 3.481 1.00 0.00 H new ATOM 210 N VAL A 13 4.404 0.103 -0.679 1.00 0.00 N ATOM 211 CA VAL A 13 3.606 -0.563 -1.738 1.00 0.00 C ATOM 212 C VAL A 13 4.460 -1.576 -2.482 1.00 0.00 C ATOM 213 O VAL A 13 5.594 -1.318 -2.833 1.00 0.00 O ATOM 214 CB VAL A 13 3.152 0.560 -2.669 1.00 0.00 C ATOM 215 CG1 VAL A 13 2.085 0.029 -3.629 1.00 0.00 C ATOM 216 CG2 VAL A 13 2.569 1.705 -1.837 1.00 0.00 C ATOM 0 H VAL A 13 4.992 0.874 -0.994 1.00 0.00 H new ATOM 0 HA VAL A 13 2.756 -1.111 -1.330 1.00 0.00 H new ATOM 0 HB VAL A 13 4.004 0.925 -3.243 1.00 0.00 H new ATOM 0 HG11 VAL A 13 1.762 0.831 -4.293 1.00 0.00 H new ATOM 0 HG12 VAL A 13 2.501 -0.786 -4.221 1.00 0.00 H new ATOM 0 HG13 VAL A 13 1.231 -0.336 -3.058 1.00 0.00 H new ATOM 0 HG21 VAL A 13 2.244 2.507 -2.499 1.00 0.00 H new ATOM 0 HG22 VAL A 13 1.717 1.341 -1.264 1.00 0.00 H new ATOM 0 HG23 VAL A 13 3.330 2.083 -1.155 1.00 0.00 H new ATOM 226 N VAL A 14 3.921 -2.736 -2.710 1.00 0.00 N ATOM 227 CA VAL A 14 4.695 -3.784 -3.410 1.00 0.00 C ATOM 228 C VAL A 14 3.740 -4.791 -4.068 1.00 0.00 C ATOM 229 O VAL A 14 2.725 -5.158 -3.509 1.00 0.00 O ATOM 230 CB VAL A 14 5.504 -4.437 -2.291 1.00 0.00 C ATOM 231 CG1 VAL A 14 6.538 -3.446 -1.754 1.00 0.00 C ATOM 232 CG2 VAL A 14 4.561 -4.841 -1.161 1.00 0.00 C ATOM 0 H VAL A 14 2.974 -3.002 -2.440 1.00 0.00 H new ATOM 0 HA VAL A 14 5.328 -3.399 -4.210 1.00 0.00 H new ATOM 0 HB VAL A 14 6.016 -5.317 -2.681 1.00 0.00 H new ATOM 0 HG11 VAL A 14 7.113 -3.916 -0.956 1.00 0.00 H new ATOM 0 HG12 VAL A 14 7.210 -3.150 -2.559 1.00 0.00 H new ATOM 0 HG13 VAL A 14 6.029 -2.565 -1.364 1.00 0.00 H new ATOM 0 HG21 VAL A 14 5.133 -5.308 -0.359 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.053 -3.956 -0.777 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.822 -5.548 -1.539 1.00 0.00 H new ATOM 242 N GLU A 15 4.049 -5.236 -5.256 1.00 0.00 N ATOM 243 CA GLU A 15 3.144 -6.213 -5.932 1.00 0.00 C ATOM 244 C GLU A 15 3.826 -6.853 -7.150 1.00 0.00 C ATOM 245 O GLU A 15 3.731 -8.044 -7.364 1.00 0.00 O ATOM 246 CB GLU A 15 1.923 -5.391 -6.359 1.00 0.00 C ATOM 247 CG GLU A 15 2.224 -4.655 -7.665 1.00 0.00 C ATOM 248 CD GLU A 15 1.027 -3.782 -8.050 1.00 0.00 C ATOM 249 OE1 GLU A 15 0.618 -2.977 -7.230 1.00 0.00 O ATOM 250 OE2 GLU A 15 0.540 -3.935 -9.159 1.00 0.00 O ATOM 0 H GLU A 15 4.880 -4.970 -5.784 1.00 0.00 H new ATOM 0 HA GLU A 15 2.874 -7.038 -5.272 1.00 0.00 H new ATOM 0 HB2 GLU A 15 1.061 -6.045 -6.490 1.00 0.00 H new ATOM 0 HB3 GLU A 15 1.664 -4.675 -5.579 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.115 -4.038 -7.549 1.00 0.00 H new ATOM 0 HG3 GLU A 15 2.434 -5.372 -8.458 1.00 0.00 H new ATOM 257 N ASP A 16 4.508 -6.079 -7.952 1.00 0.00 N ATOM 258 CA ASP A 16 5.178 -6.665 -9.144 1.00 0.00 C ATOM 259 C ASP A 16 6.519 -5.975 -9.413 1.00 0.00 C ATOM 260 O ASP A 16 7.518 -6.297 -8.802 1.00 0.00 O ATOM 261 CB ASP A 16 4.209 -6.445 -10.307 1.00 0.00 C ATOM 262 CG ASP A 16 4.864 -6.896 -11.616 1.00 0.00 C ATOM 263 OD1 ASP A 16 6.034 -7.243 -11.586 1.00 0.00 O ATOM 264 OD2 ASP A 16 4.182 -6.889 -12.627 1.00 0.00 O ATOM 0 H ASP A 16 4.628 -5.073 -7.833 1.00 0.00 H new ATOM 0 HA ASP A 16 5.401 -7.722 -9.000 1.00 0.00 H new ATOM 0 HB2 ASP A 16 3.289 -7.005 -10.138 1.00 0.00 H new ATOM 0 HB3 ASP A 16 3.934 -5.392 -10.370 1.00 0.00 H new ATOM 269 N GLU A 17 6.566 -5.043 -10.331 1.00 0.00 N ATOM 270 CA GLU A 17 7.869 -4.377 -10.619 1.00 0.00 C ATOM 271 C GLU A 17 7.678 -2.992 -11.253 1.00 0.00 C ATOM 272 O GLU A 17 7.923 -1.978 -10.629 1.00 0.00 O ATOM 273 CB GLU A 17 8.566 -5.317 -11.603 1.00 0.00 C ATOM 274 CG GLU A 17 9.633 -6.128 -10.866 1.00 0.00 C ATOM 275 CD GLU A 17 11.019 -5.753 -11.394 1.00 0.00 C ATOM 276 OE1 GLU A 17 11.088 -5.195 -12.477 1.00 0.00 O ATOM 277 OE2 GLU A 17 11.987 -6.031 -10.706 1.00 0.00 O ATOM 0 H GLU A 17 5.772 -4.720 -10.884 1.00 0.00 H new ATOM 0 HA GLU A 17 8.442 -4.209 -9.707 1.00 0.00 H new ATOM 0 HB2 GLU A 17 7.838 -5.986 -12.061 1.00 0.00 H new ATOM 0 HB3 GLU A 17 9.023 -4.743 -12.409 1.00 0.00 H new ATOM 0 HG2 GLU A 17 9.576 -5.934 -9.795 1.00 0.00 H new ATOM 0 HG3 GLU A 17 9.455 -7.194 -11.007 1.00 0.00 H new ATOM 284 N SER A 18 7.282 -2.940 -12.497 1.00 0.00 N ATOM 285 CA SER A 18 7.123 -1.617 -13.177 1.00 0.00 C ATOM 286 C SER A 18 5.695 -1.070 -13.052 1.00 0.00 C ATOM 287 O SER A 18 5.459 0.105 -13.251 1.00 0.00 O ATOM 288 CB SER A 18 7.454 -1.900 -14.640 1.00 0.00 C ATOM 289 OG SER A 18 7.213 -3.274 -14.915 1.00 0.00 O ATOM 0 H SER A 18 7.062 -3.753 -13.072 1.00 0.00 H new ATOM 0 HA SER A 18 7.767 -0.861 -12.729 1.00 0.00 H new ATOM 0 HB2 SER A 18 6.844 -1.274 -15.291 1.00 0.00 H new ATOM 0 HB3 SER A 18 8.496 -1.653 -14.844 1.00 0.00 H new ATOM 0 HG SER A 18 7.422 -3.461 -15.854 1.00 0.00 H new ATOM 295 N MET A 19 4.738 -1.895 -12.735 1.00 0.00 N ATOM 296 CA MET A 19 3.333 -1.385 -12.618 1.00 0.00 C ATOM 297 C MET A 19 3.144 -0.674 -11.283 1.00 0.00 C ATOM 298 O MET A 19 2.467 0.330 -11.188 1.00 0.00 O ATOM 299 CB MET A 19 2.423 -2.616 -12.674 1.00 0.00 C ATOM 300 CG MET A 19 3.029 -3.675 -13.587 1.00 0.00 C ATOM 301 SD MET A 19 1.731 -4.404 -14.617 1.00 0.00 S ATOM 302 CE MET A 19 2.405 -6.082 -14.664 1.00 0.00 C ATOM 0 H MET A 19 4.859 -2.891 -12.552 1.00 0.00 H new ATOM 0 HA MET A 19 3.104 -0.677 -13.414 1.00 0.00 H new ATOM 0 HB2 MET A 19 2.287 -3.023 -11.672 1.00 0.00 H new ATOM 0 HB3 MET A 19 1.436 -2.332 -13.039 1.00 0.00 H new ATOM 0 HG2 MET A 19 3.799 -3.229 -14.216 1.00 0.00 H new ATOM 0 HG3 MET A 19 3.513 -4.449 -12.992 1.00 0.00 H new ATOM 0 HE1 MET A 19 2.038 -6.597 -15.552 1.00 0.00 H new ATOM 0 HE2 MET A 19 3.494 -6.036 -14.695 1.00 0.00 H new ATOM 0 HE3 MET A 19 2.090 -6.626 -13.773 1.00 0.00 H new ATOM 312 N ILE A 20 3.733 -1.196 -10.251 1.00 0.00 N ATOM 313 CA ILE A 20 3.588 -0.565 -8.914 1.00 0.00 C ATOM 314 C ILE A 20 4.701 0.442 -8.683 1.00 0.00 C ATOM 315 O ILE A 20 4.892 0.947 -7.593 1.00 0.00 O ATOM 316 CB ILE A 20 3.703 -1.714 -7.932 1.00 0.00 C ATOM 317 CG1 ILE A 20 3.740 -1.173 -6.500 1.00 0.00 C ATOM 318 CG2 ILE A 20 4.974 -2.517 -8.202 1.00 0.00 C ATOM 319 CD1 ILE A 20 2.783 -1.985 -5.620 1.00 0.00 C ATOM 0 H ILE A 20 4.311 -2.036 -10.274 1.00 0.00 H new ATOM 0 HA ILE A 20 2.647 -0.025 -8.810 1.00 0.00 H new ATOM 0 HB ILE A 20 2.837 -2.364 -8.055 1.00 0.00 H new ATOM 0 HG12 ILE A 20 4.754 -1.233 -6.104 1.00 0.00 H new ATOM 0 HG13 ILE A 20 3.455 -0.121 -6.490 1.00 0.00 H new ATOM 0 HG21 ILE A 20 5.043 -3.339 -7.489 1.00 0.00 H new ATOM 0 HG22 ILE A 20 4.943 -2.917 -9.215 1.00 0.00 H new ATOM 0 HG23 ILE A 20 5.844 -1.869 -8.094 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.810 -1.599 -4.601 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.769 -1.903 -6.012 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.088 -3.031 -5.620 1.00 0.00 H new ATOM 331 N ALA A 21 5.438 0.727 -9.704 1.00 0.00 N ATOM 332 CA ALA A 21 6.550 1.688 -9.578 1.00 0.00 C ATOM 333 C ALA A 21 6.017 3.115 -9.699 1.00 0.00 C ATOM 334 O ALA A 21 5.742 3.766 -8.712 1.00 0.00 O ATOM 335 CB ALA A 21 7.445 1.321 -10.746 1.00 0.00 C ATOM 0 H ALA A 21 5.316 0.329 -10.635 1.00 0.00 H new ATOM 0 HA ALA A 21 7.074 1.647 -8.623 1.00 0.00 H new ATOM 0 HB1 ALA A 21 8.316 1.976 -10.757 1.00 0.00 H new ATOM 0 HB2 ALA A 21 7.770 0.286 -10.644 1.00 0.00 H new ATOM 0 HB3 ALA A 21 6.892 1.437 -11.678 1.00 0.00 H new ATOM 341 N MET A 22 5.838 3.604 -10.894 1.00 0.00 N ATOM 342 CA MET A 22 5.291 4.981 -11.043 1.00 0.00 C ATOM 343 C MET A 22 3.997 5.085 -10.232 1.00 0.00 C ATOM 344 O MET A 22 3.557 6.158 -9.867 1.00 0.00 O ATOM 345 CB MET A 22 5.010 5.145 -12.539 1.00 0.00 C ATOM 346 CG MET A 22 6.006 6.141 -13.142 1.00 0.00 C ATOM 347 SD MET A 22 7.384 5.242 -13.894 1.00 0.00 S ATOM 348 CE MET A 22 8.243 6.677 -14.587 1.00 0.00 C ATOM 0 H MET A 22 6.044 3.116 -11.766 1.00 0.00 H new ATOM 0 HA MET A 22 5.972 5.753 -10.685 1.00 0.00 H new ATOM 0 HB2 MET A 22 5.093 4.182 -13.043 1.00 0.00 H new ATOM 0 HB3 MET A 22 3.990 5.498 -12.691 1.00 0.00 H new ATOM 0 HG2 MET A 22 5.510 6.759 -13.891 1.00 0.00 H new ATOM 0 HG3 MET A 22 6.376 6.814 -12.368 1.00 0.00 H new ATOM 0 HE1 MET A 22 9.142 6.347 -15.107 1.00 0.00 H new ATOM 0 HE2 MET A 22 7.586 7.190 -15.289 1.00 0.00 H new ATOM 0 HE3 MET A 22 8.519 7.359 -13.783 1.00 0.00 H new ATOM 358 N LEU A 23 3.393 3.963 -9.949 1.00 0.00 N ATOM 359 CA LEU A 23 2.129 3.953 -9.162 1.00 0.00 C ATOM 360 C LEU A 23 2.338 4.589 -7.782 1.00 0.00 C ATOM 361 O LEU A 23 1.413 5.097 -7.182 1.00 0.00 O ATOM 362 CB LEU A 23 1.791 2.470 -9.017 1.00 0.00 C ATOM 363 CG LEU A 23 0.280 2.269 -9.127 1.00 0.00 C ATOM 364 CD1 LEU A 23 -0.035 0.774 -9.045 1.00 0.00 C ATOM 365 CD2 LEU A 23 -0.419 3.001 -7.980 1.00 0.00 C ATOM 0 H LEU A 23 3.727 3.042 -10.234 1.00 0.00 H new ATOM 0 HA LEU A 23 1.336 4.523 -9.646 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.301 1.894 -9.790 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.147 2.099 -8.056 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.074 2.668 -10.078 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.112 0.624 -9.123 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.464 0.252 -9.861 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.318 0.379 -8.092 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.497 2.857 -8.059 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.069 2.603 -7.028 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.190 4.065 -8.035 1.00 0.00 H new ATOM 377 N ILE A 24 3.538 4.559 -7.268 1.00 0.00 N ATOM 378 CA ILE A 24 3.774 5.161 -5.922 1.00 0.00 C ATOM 379 C ILE A 24 4.391 6.555 -6.052 1.00 0.00 C ATOM 380 O ILE A 24 4.163 7.425 -5.235 1.00 0.00 O ATOM 381 CB ILE A 24 4.743 4.219 -5.208 1.00 0.00 C ATOM 382 CG1 ILE A 24 4.821 4.610 -3.730 1.00 0.00 C ATOM 383 CG2 ILE A 24 6.137 4.324 -5.827 1.00 0.00 C ATOM 384 CD1 ILE A 24 5.656 3.575 -2.972 1.00 0.00 C ATOM 0 H ILE A 24 4.358 4.149 -7.715 1.00 0.00 H new ATOM 0 HA ILE A 24 2.841 5.276 -5.371 1.00 0.00 H new ATOM 0 HB ILE A 24 4.385 3.195 -5.310 1.00 0.00 H new ATOM 0 HG12 ILE A 24 5.268 5.599 -3.627 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.819 4.667 -3.304 1.00 0.00 H new ATOM 0 HG21 ILE A 24 6.817 3.648 -5.309 1.00 0.00 H new ATOM 0 HG22 ILE A 24 6.088 4.052 -6.881 1.00 0.00 H new ATOM 0 HG23 ILE A 24 6.501 5.347 -5.733 1.00 0.00 H new ATOM 0 HD11 ILE A 24 5.712 3.853 -1.919 1.00 0.00 H new ATOM 0 HD12 ILE A 24 5.190 2.594 -3.064 1.00 0.00 H new ATOM 0 HD13 ILE A 24 6.661 3.540 -3.392 1.00 0.00 H new ATOM 396 N GLU A 25 5.176 6.770 -7.067 1.00 0.00 N ATOM 397 CA GLU A 25 5.818 8.102 -7.243 1.00 0.00 C ATOM 398 C GLU A 25 4.824 9.104 -7.836 1.00 0.00 C ATOM 399 O GLU A 25 5.085 10.290 -7.894 1.00 0.00 O ATOM 400 CB GLU A 25 6.975 7.849 -8.208 1.00 0.00 C ATOM 401 CG GLU A 25 7.902 6.781 -7.619 1.00 0.00 C ATOM 402 CD GLU A 25 9.339 7.045 -8.070 1.00 0.00 C ATOM 403 OE1 GLU A 25 9.603 8.144 -8.529 1.00 0.00 O ATOM 404 OE2 GLU A 25 10.152 6.144 -7.949 1.00 0.00 O ATOM 0 H GLU A 25 5.402 6.081 -7.784 1.00 0.00 H new ATOM 0 HA GLU A 25 6.157 8.527 -6.298 1.00 0.00 H new ATOM 0 HB2 GLU A 25 6.592 7.522 -9.175 1.00 0.00 H new ATOM 0 HB3 GLU A 25 7.528 8.772 -8.380 1.00 0.00 H new ATOM 0 HG2 GLU A 25 7.843 6.794 -6.531 1.00 0.00 H new ATOM 0 HG3 GLU A 25 7.584 5.790 -7.943 1.00 0.00 H new ATOM 411 N ASP A 26 3.686 8.643 -8.275 1.00 0.00 N ATOM 412 CA ASP A 26 2.687 9.583 -8.859 1.00 0.00 C ATOM 413 C ASP A 26 1.762 10.117 -7.761 1.00 0.00 C ATOM 414 O ASP A 26 1.548 11.308 -7.648 1.00 0.00 O ATOM 415 CB ASP A 26 1.916 8.758 -9.898 1.00 0.00 C ATOM 416 CG ASP A 26 0.814 7.941 -9.218 1.00 0.00 C ATOM 417 OD1 ASP A 26 1.143 7.135 -8.364 1.00 0.00 O ATOM 418 OD2 ASP A 26 -0.340 8.137 -9.564 1.00 0.00 O ATOM 0 H ASP A 26 3.405 7.663 -8.255 1.00 0.00 H new ATOM 0 HA ASP A 26 3.151 10.456 -9.318 1.00 0.00 H new ATOM 0 HB2 ASP A 26 1.479 9.420 -10.646 1.00 0.00 H new ATOM 0 HB3 ASP A 26 2.600 8.092 -10.423 1.00 0.00 H new ATOM 423 N THR A 27 1.231 9.258 -6.933 1.00 0.00 N ATOM 424 CA THR A 27 0.355 9.751 -5.840 1.00 0.00 C ATOM 425 C THR A 27 1.193 10.635 -4.925 1.00 0.00 C ATOM 426 O THR A 27 0.715 11.589 -4.343 1.00 0.00 O ATOM 427 CB THR A 27 -0.125 8.507 -5.095 1.00 0.00 C ATOM 428 OG1 THR A 27 0.458 7.347 -5.673 1.00 0.00 O ATOM 429 CG2 THR A 27 -1.648 8.417 -5.183 1.00 0.00 C ATOM 0 H THR A 27 1.366 8.248 -6.967 1.00 0.00 H new ATOM 0 HA THR A 27 -0.493 10.332 -6.202 1.00 0.00 H new ATOM 0 HB THR A 27 0.174 8.574 -4.049 1.00 0.00 H new ATOM 0 HG1 THR A 27 0.020 7.152 -6.528 1.00 0.00 H new ATOM 0 HG21 THR A 27 -1.991 7.529 -4.652 1.00 0.00 H new ATOM 0 HG22 THR A 27 -2.092 9.304 -4.732 1.00 0.00 H new ATOM 0 HG23 THR A 27 -1.949 8.353 -6.229 1.00 0.00 H new ATOM 437 N LEU A 28 2.455 10.322 -4.817 1.00 0.00 N ATOM 438 CA LEU A 28 3.365 11.135 -3.969 1.00 0.00 C ATOM 439 C LEU A 28 3.550 12.513 -4.610 1.00 0.00 C ATOM 440 O LEU A 28 3.599 13.523 -3.938 1.00 0.00 O ATOM 441 CB LEU A 28 4.682 10.342 -3.956 1.00 0.00 C ATOM 442 CG LEU A 28 5.881 11.287 -3.810 1.00 0.00 C ATOM 443 CD1 LEU A 28 7.084 10.511 -3.270 1.00 0.00 C ATOM 444 CD2 LEU A 28 6.237 11.876 -5.176 1.00 0.00 C ATOM 0 H LEU A 28 2.896 9.530 -5.285 1.00 0.00 H new ATOM 0 HA LEU A 28 2.989 11.303 -2.960 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.674 9.627 -3.133 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.776 9.767 -4.877 1.00 0.00 H new ATOM 0 HG LEU A 28 5.623 12.090 -3.119 1.00 0.00 H new ATOM 0 HD11 LEU A 28 7.935 11.184 -3.167 1.00 0.00 H new ATOM 0 HD12 LEU A 28 6.837 10.087 -2.297 1.00 0.00 H new ATOM 0 HD13 LEU A 28 7.339 9.708 -3.961 1.00 0.00 H new ATOM 0 HD21 LEU A 28 7.089 12.548 -5.072 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.492 11.070 -5.864 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.384 12.430 -5.567 1.00 0.00 H new ATOM 456 N CYS A 29 3.654 12.556 -5.910 1.00 0.00 N ATOM 457 CA CYS A 29 3.837 13.865 -6.597 1.00 0.00 C ATOM 458 C CYS A 29 2.775 14.864 -6.130 1.00 0.00 C ATOM 459 O CYS A 29 3.023 16.049 -6.029 1.00 0.00 O ATOM 460 CB CYS A 29 3.661 13.568 -8.085 1.00 0.00 C ATOM 461 SG CYS A 29 5.202 12.895 -8.753 1.00 0.00 S ATOM 0 H CYS A 29 3.620 11.743 -6.525 1.00 0.00 H new ATOM 0 HA CYS A 29 4.811 14.305 -6.380 1.00 0.00 H new ATOM 0 HB2 CYS A 29 2.848 12.857 -8.231 1.00 0.00 H new ATOM 0 HB3 CYS A 29 3.388 14.478 -8.619 1.00 0.00 H new ATOM 0 HG CYS A 29 5.389 11.695 -8.288 1.00 0.00 H new ATOM 467 N GLU A 30 1.588 14.392 -5.863 1.00 0.00 N ATOM 468 CA GLU A 30 0.499 15.307 -5.422 1.00 0.00 C ATOM 469 C GLU A 30 0.369 15.312 -3.894 1.00 0.00 C ATOM 470 O GLU A 30 -0.215 16.210 -3.319 1.00 0.00 O ATOM 471 CB GLU A 30 -0.769 14.746 -6.069 1.00 0.00 C ATOM 472 CG GLU A 30 -1.617 15.894 -6.625 1.00 0.00 C ATOM 473 CD GLU A 30 -1.841 15.686 -8.125 1.00 0.00 C ATOM 474 OE1 GLU A 30 -2.498 14.721 -8.477 1.00 0.00 O ATOM 475 OE2 GLU A 30 -1.351 16.496 -8.894 1.00 0.00 O ATOM 0 H GLU A 30 1.325 13.409 -5.932 1.00 0.00 H new ATOM 0 HA GLU A 30 0.691 16.339 -5.715 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -0.505 14.055 -6.870 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -1.343 14.179 -5.336 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -2.575 15.937 -6.106 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -1.117 16.847 -6.450 1.00 0.00 H new ATOM 482 N LEU A 31 0.892 14.315 -3.231 1.00 0.00 N ATOM 483 CA LEU A 31 0.774 14.271 -1.743 1.00 0.00 C ATOM 484 C LEU A 31 2.091 14.682 -1.075 1.00 0.00 C ATOM 485 O LEU A 31 2.133 15.600 -0.282 1.00 0.00 O ATOM 486 CB LEU A 31 0.441 12.816 -1.419 1.00 0.00 C ATOM 487 CG LEU A 31 -0.802 12.394 -2.204 1.00 0.00 C ATOM 488 CD1 LEU A 31 -0.908 10.869 -2.204 1.00 0.00 C ATOM 489 CD2 LEU A 31 -2.050 12.992 -1.550 1.00 0.00 C ATOM 0 H LEU A 31 1.393 13.533 -3.652 1.00 0.00 H new ATOM 0 HA LEU A 31 0.015 14.961 -1.376 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.283 12.173 -1.675 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.266 12.701 -0.349 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.723 12.755 -3.230 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.793 10.566 -2.763 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.020 10.443 -2.671 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.986 10.510 -1.178 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.935 12.690 -2.111 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.131 12.633 -0.524 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.975 14.079 -1.549 1.00 0.00 H new ATOM 501 N GLY A 32 3.166 14.009 -1.382 1.00 0.00 N ATOM 502 CA GLY A 32 4.469 14.370 -0.754 1.00 0.00 C ATOM 503 C GLY A 32 5.084 13.133 -0.090 1.00 0.00 C ATOM 504 O GLY A 32 6.183 13.187 0.423 1.00 0.00 O ATOM 0 H GLY A 32 3.199 13.228 -2.037 1.00 0.00 H new ATOM 0 HA2 GLY A 32 5.149 14.766 -1.508 1.00 0.00 H new ATOM 0 HA3 GLY A 32 4.321 15.156 -0.014 1.00 0.00 H new ATOM 508 N HIS A 33 4.373 12.030 -0.096 1.00 0.00 N ATOM 509 CA HIS A 33 4.884 10.767 0.529 1.00 0.00 C ATOM 510 C HIS A 33 6.414 10.697 0.484 1.00 0.00 C ATOM 511 O HIS A 33 7.045 11.200 -0.424 1.00 0.00 O ATOM 512 CB HIS A 33 4.286 9.645 -0.322 1.00 0.00 C ATOM 513 CG HIS A 33 2.897 9.326 0.157 1.00 0.00 C ATOM 514 ND1 HIS A 33 1.807 9.296 -0.699 1.00 0.00 N ATOM 515 CD2 HIS A 33 2.407 9.018 1.400 1.00 0.00 C ATOM 516 CE1 HIS A 33 0.723 8.981 0.034 1.00 0.00 C ATOM 517 NE2 HIS A 33 1.033 8.801 1.321 1.00 0.00 N ATOM 0 H HIS A 33 3.446 11.950 -0.514 1.00 0.00 H new ATOM 0 HA HIS A 33 4.604 10.700 1.580 1.00 0.00 H new ATOM 0 HB2 HIS A 33 4.259 9.946 -1.369 1.00 0.00 H new ATOM 0 HB3 HIS A 33 4.914 8.756 -0.262 1.00 0.00 H new ATOM 0 HD2 HIS A 33 2.996 8.953 2.303 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -0.275 8.886 -0.369 1.00 0.00 H new ATOM 0 HE2 HIS A 33 0.400 8.557 2.082 1.00 0.00 H new ATOM 525 N GLU A 34 7.012 10.072 1.461 1.00 0.00 N ATOM 526 CA GLU A 34 8.500 9.963 1.483 1.00 0.00 C ATOM 527 C GLU A 34 8.957 8.731 0.698 1.00 0.00 C ATOM 528 O GLU A 34 10.033 8.215 0.920 1.00 0.00 O ATOM 529 CB GLU A 34 8.861 9.811 2.962 1.00 0.00 C ATOM 530 CG GLU A 34 9.984 10.787 3.319 1.00 0.00 C ATOM 531 CD GLU A 34 10.729 10.280 4.557 1.00 0.00 C ATOM 532 OE1 GLU A 34 11.427 9.287 4.439 1.00 0.00 O ATOM 533 OE2 GLU A 34 10.589 10.896 5.601 1.00 0.00 O ATOM 0 H GLU A 34 6.534 9.631 2.247 1.00 0.00 H new ATOM 0 HA GLU A 34 8.981 10.828 1.026 1.00 0.00 H new ATOM 0 HB2 GLU A 34 7.986 10.005 3.582 1.00 0.00 H new ATOM 0 HB3 GLU A 34 9.176 8.788 3.167 1.00 0.00 H new ATOM 0 HG2 GLU A 34 10.674 10.885 2.481 1.00 0.00 H new ATOM 0 HG3 GLU A 34 9.572 11.778 3.510 1.00 0.00 H new ATOM 540 N VAL A 35 8.144 8.252 -0.206 1.00 0.00 N ATOM 541 CA VAL A 35 8.526 7.040 -0.992 1.00 0.00 C ATOM 542 C VAL A 35 8.788 5.877 -0.034 1.00 0.00 C ATOM 543 O VAL A 35 9.627 5.956 0.840 1.00 0.00 O ATOM 544 CB VAL A 35 9.798 7.419 -1.751 1.00 0.00 C ATOM 545 CG1 VAL A 35 10.434 6.156 -2.337 1.00 0.00 C ATOM 546 CG2 VAL A 35 9.443 8.380 -2.887 1.00 0.00 C ATOM 0 H VAL A 35 7.232 8.647 -0.435 1.00 0.00 H new ATOM 0 HA VAL A 35 7.741 6.727 -1.681 1.00 0.00 H new ATOM 0 HB VAL A 35 10.500 7.900 -1.070 1.00 0.00 H new ATOM 0 HG11 VAL A 35 11.341 6.423 -2.879 1.00 0.00 H new ATOM 0 HG12 VAL A 35 10.683 5.466 -1.531 1.00 0.00 H new ATOM 0 HG13 VAL A 35 9.731 5.678 -3.020 1.00 0.00 H new ATOM 0 HG21 VAL A 35 10.348 8.652 -3.430 1.00 0.00 H new ATOM 0 HG22 VAL A 35 8.743 7.896 -3.568 1.00 0.00 H new ATOM 0 HG23 VAL A 35 8.984 9.278 -2.474 1.00 0.00 H new ATOM 556 N ALA A 36 8.066 4.804 -0.175 1.00 0.00 N ATOM 557 CA ALA A 36 8.271 3.662 0.748 1.00 0.00 C ATOM 558 C ALA A 36 8.741 2.416 -0.005 1.00 0.00 C ATOM 559 O ALA A 36 9.925 2.187 -0.152 1.00 0.00 O ATOM 560 CB ALA A 36 6.908 3.434 1.394 1.00 0.00 C ATOM 0 H ALA A 36 7.347 4.670 -0.886 1.00 0.00 H new ATOM 0 HA ALA A 36 9.045 3.869 1.487 1.00 0.00 H new ATOM 0 HB1 ALA A 36 6.972 2.602 2.095 1.00 0.00 H new ATOM 0 HB2 ALA A 36 6.603 4.334 1.927 1.00 0.00 H new ATOM 0 HB3 ALA A 36 6.174 3.203 0.622 1.00 0.00 H new ATOM 566 N ALA A 37 7.838 1.593 -0.472 1.00 0.00 N ATOM 567 CA ALA A 37 8.279 0.362 -1.190 1.00 0.00 C ATOM 568 C ALA A 37 7.647 0.271 -2.582 1.00 0.00 C ATOM 569 O ALA A 37 6.608 0.842 -2.849 1.00 0.00 O ATOM 570 CB ALA A 37 7.803 -0.794 -0.311 1.00 0.00 C ATOM 0 H ALA A 37 6.829 1.717 -0.389 1.00 0.00 H new ATOM 0 HA ALA A 37 9.358 0.352 -1.346 1.00 0.00 H new ATOM 0 HB1 ALA A 37 8.088 -1.741 -0.769 1.00 0.00 H new ATOM 0 HB2 ALA A 37 8.262 -0.715 0.674 1.00 0.00 H new ATOM 0 HB3 ALA A 37 6.718 -0.752 -0.210 1.00 0.00 H new ATOM 576 N THR A 38 8.276 -0.463 -3.463 1.00 0.00 N ATOM 577 CA THR A 38 7.744 -0.633 -4.843 1.00 0.00 C ATOM 578 C THR A 38 7.980 -2.077 -5.296 1.00 0.00 C ATOM 579 O THR A 38 8.908 -2.729 -4.860 1.00 0.00 O ATOM 580 CB THR A 38 8.546 0.341 -5.708 1.00 0.00 C ATOM 581 OG1 THR A 38 8.279 0.080 -7.079 1.00 0.00 O ATOM 582 CG2 THR A 38 10.039 0.160 -5.430 1.00 0.00 C ATOM 0 H THR A 38 9.149 -0.958 -3.279 1.00 0.00 H new ATOM 0 HA THR A 38 6.674 -0.435 -4.911 1.00 0.00 H new ATOM 0 HB THR A 38 8.258 1.365 -5.471 1.00 0.00 H new ATOM 0 HG1 THR A 38 8.790 0.704 -7.636 1.00 0.00 H new ATOM 0 HG21 THR A 38 10.611 0.854 -6.046 1.00 0.00 H new ATOM 0 HG22 THR A 38 10.240 0.359 -4.377 1.00 0.00 H new ATOM 0 HG23 THR A 38 10.332 -0.863 -5.668 1.00 0.00 H new ATOM 590 N ALA A 39 7.142 -2.588 -6.151 1.00 0.00 N ATOM 591 CA ALA A 39 7.317 -3.998 -6.610 1.00 0.00 C ATOM 592 C ALA A 39 7.126 -4.938 -5.425 1.00 0.00 C ATOM 593 O ALA A 39 7.058 -4.504 -4.301 1.00 0.00 O ATOM 594 CB ALA A 39 8.747 -4.075 -7.124 1.00 0.00 C ATOM 0 H ALA A 39 6.345 -2.095 -6.553 1.00 0.00 H new ATOM 0 HA ALA A 39 6.599 -4.283 -7.379 1.00 0.00 H new ATOM 0 HB1 ALA A 39 8.952 -5.085 -7.480 1.00 0.00 H new ATOM 0 HB2 ALA A 39 8.878 -3.368 -7.943 1.00 0.00 H new ATOM 0 HB3 ALA A 39 9.437 -3.828 -6.318 1.00 0.00 H new ATOM 600 N SER A 40 7.028 -6.217 -5.651 1.00 0.00 N ATOM 601 CA SER A 40 6.831 -7.139 -4.499 1.00 0.00 C ATOM 602 C SER A 40 8.170 -7.674 -3.997 1.00 0.00 C ATOM 603 O SER A 40 8.949 -8.238 -4.740 1.00 0.00 O ATOM 604 CB SER A 40 5.949 -8.267 -5.014 1.00 0.00 C ATOM 605 OG SER A 40 6.676 -9.052 -5.950 1.00 0.00 O ATOM 0 H SER A 40 7.075 -6.659 -6.569 1.00 0.00 H new ATOM 0 HA SER A 40 6.368 -6.630 -3.654 1.00 0.00 H new ATOM 0 HB2 SER A 40 5.616 -8.889 -4.184 1.00 0.00 H new ATOM 0 HB3 SER A 40 5.055 -7.857 -5.484 1.00 0.00 H new ATOM 0 HG SER A 40 7.635 -8.981 -5.761 1.00 0.00 H new ATOM 611 N ARG A 41 8.438 -7.495 -2.733 1.00 0.00 N ATOM 612 CA ARG A 41 9.716 -7.981 -2.159 1.00 0.00 C ATOM 613 C ARG A 41 9.468 -8.591 -0.778 1.00 0.00 C ATOM 614 O ARG A 41 8.604 -8.156 -0.043 1.00 0.00 O ATOM 615 CB ARG A 41 10.597 -6.737 -2.048 1.00 0.00 C ATOM 616 CG ARG A 41 12.071 -7.145 -2.082 1.00 0.00 C ATOM 617 CD ARG A 41 12.637 -6.894 -3.481 1.00 0.00 C ATOM 618 NE ARG A 41 14.108 -7.075 -3.341 1.00 0.00 N ATOM 619 CZ ARG A 41 14.870 -7.048 -4.400 1.00 0.00 C ATOM 620 NH1 ARG A 41 14.588 -7.803 -5.426 1.00 0.00 N ATOM 621 NH2 ARG A 41 15.911 -6.263 -4.434 1.00 0.00 N ATOM 0 H ARG A 41 7.818 -7.028 -2.071 1.00 0.00 H new ATOM 0 HA ARG A 41 10.181 -8.754 -2.771 1.00 0.00 H new ATOM 0 HB2 ARG A 41 10.380 -6.052 -2.867 1.00 0.00 H new ATOM 0 HB3 ARG A 41 10.378 -6.206 -1.122 1.00 0.00 H new ATOM 0 HG2 ARG A 41 12.634 -6.576 -1.343 1.00 0.00 H new ATOM 0 HG3 ARG A 41 12.174 -8.198 -1.820 1.00 0.00 H new ATOM 0 HD2 ARG A 41 12.221 -7.593 -4.206 1.00 0.00 H new ATOM 0 HD3 ARG A 41 12.395 -5.890 -3.830 1.00 0.00 H new ATOM 0 HE ARG A 41 14.520 -7.220 -2.419 1.00 0.00 H new ATOM 0 HH11 ARG A 41 13.772 -8.414 -5.400 1.00 0.00 H new ATOM 0 HH12 ARG A 41 15.184 -7.782 -6.254 1.00 0.00 H new ATOM 0 HH21 ARG A 41 16.129 -5.670 -3.633 1.00 0.00 H new ATOM 0 HH22 ARG A 41 16.507 -6.242 -5.262 1.00 0.00 H new ATOM 635 N MET A 42 10.212 -9.600 -0.422 1.00 0.00 N ATOM 636 CA MET A 42 10.012 -10.240 0.904 1.00 0.00 C ATOM 637 C MET A 42 10.748 -9.460 1.998 1.00 0.00 C ATOM 638 O MET A 42 10.293 -9.373 3.122 1.00 0.00 O ATOM 639 CB MET A 42 10.595 -11.644 0.754 1.00 0.00 C ATOM 640 CG MET A 42 10.030 -12.296 -0.511 1.00 0.00 C ATOM 641 SD MET A 42 10.644 -13.994 -0.637 1.00 0.00 S ATOM 642 CE MET A 42 12.409 -13.609 -0.525 1.00 0.00 C ATOM 0 H MET A 42 10.951 -10.009 -0.994 1.00 0.00 H new ATOM 0 HA MET A 42 8.962 -10.262 1.195 1.00 0.00 H new ATOM 0 HB2 MET A 42 11.682 -11.594 0.696 1.00 0.00 H new ATOM 0 HB3 MET A 42 10.350 -12.247 1.628 1.00 0.00 H new ATOM 0 HG2 MET A 42 8.940 -12.293 -0.480 1.00 0.00 H new ATOM 0 HG3 MET A 42 10.325 -11.725 -1.391 1.00 0.00 H new ATOM 0 HE1 MET A 42 12.983 -14.381 -1.038 1.00 0.00 H new ATOM 0 HE2 MET A 42 12.601 -12.643 -0.992 1.00 0.00 H new ATOM 0 HE3 MET A 42 12.707 -13.571 0.523 1.00 0.00 H new ATOM 652 N GLN A 43 11.878 -8.889 1.682 1.00 0.00 N ATOM 653 CA GLN A 43 12.632 -8.113 2.707 1.00 0.00 C ATOM 654 C GLN A 43 11.835 -6.868 3.102 1.00 0.00 C ATOM 655 O GLN A 43 11.536 -6.652 4.260 1.00 0.00 O ATOM 656 CB GLN A 43 13.942 -7.725 2.022 1.00 0.00 C ATOM 657 CG GLN A 43 15.015 -7.453 3.080 1.00 0.00 C ATOM 658 CD GLN A 43 16.350 -8.045 2.617 1.00 0.00 C ATOM 659 OE1 GLN A 43 16.400 -9.164 2.149 1.00 0.00 O ATOM 660 NE2 GLN A 43 17.441 -7.336 2.727 1.00 0.00 N ATOM 0 H GLN A 43 12.311 -8.926 0.759 1.00 0.00 H new ATOM 0 HA GLN A 43 12.808 -8.682 3.620 1.00 0.00 H new ATOM 0 HB2 GLN A 43 14.267 -8.525 1.357 1.00 0.00 H new ATOM 0 HB3 GLN A 43 13.793 -6.839 1.405 1.00 0.00 H new ATOM 0 HG2 GLN A 43 15.117 -6.380 3.242 1.00 0.00 H new ATOM 0 HG3 GLN A 43 14.721 -7.893 4.033 1.00 0.00 H new ATOM 0 HE21 GLN A 43 17.401 -6.396 3.120 1.00 0.00 H new ATOM 0 HE22 GLN A 43 18.334 -7.723 2.420 1.00 0.00 H new ATOM 669 N GLU A 44 11.479 -6.053 2.147 1.00 0.00 N ATOM 670 CA GLU A 44 10.691 -4.830 2.466 1.00 0.00 C ATOM 671 C GLU A 44 9.397 -5.223 3.181 1.00 0.00 C ATOM 672 O GLU A 44 9.033 -4.650 4.189 1.00 0.00 O ATOM 673 CB GLU A 44 10.383 -4.191 1.110 1.00 0.00 C ATOM 674 CG GLU A 44 11.435 -3.127 0.795 1.00 0.00 C ATOM 675 CD GLU A 44 12.792 -3.800 0.582 1.00 0.00 C ATOM 676 OE1 GLU A 44 13.483 -4.019 1.563 1.00 0.00 O ATOM 677 OE2 GLU A 44 13.117 -4.085 -0.559 1.00 0.00 O ATOM 0 H GLU A 44 11.700 -6.182 1.160 1.00 0.00 H new ATOM 0 HA GLU A 44 11.228 -4.145 3.122 1.00 0.00 H new ATOM 0 HB2 GLU A 44 10.377 -4.953 0.330 1.00 0.00 H new ATOM 0 HB3 GLU A 44 9.390 -3.742 1.125 1.00 0.00 H new ATOM 0 HG2 GLU A 44 11.149 -2.570 -0.097 1.00 0.00 H new ATOM 0 HG3 GLU A 44 11.497 -2.409 1.612 1.00 0.00 H new ATOM 684 N ALA A 45 8.705 -6.203 2.667 1.00 0.00 N ATOM 685 CA ALA A 45 7.437 -6.644 3.316 1.00 0.00 C ATOM 686 C ALA A 45 7.679 -6.918 4.801 1.00 0.00 C ATOM 687 O ALA A 45 6.907 -6.518 5.650 1.00 0.00 O ATOM 688 CB ALA A 45 7.049 -7.933 2.595 1.00 0.00 C ATOM 0 H ALA A 45 8.963 -6.718 1.825 1.00 0.00 H new ATOM 0 HA ALA A 45 6.654 -5.889 3.250 1.00 0.00 H new ATOM 0 HB1 ALA A 45 6.122 -8.321 3.017 1.00 0.00 H new ATOM 0 HB2 ALA A 45 6.907 -7.728 1.534 1.00 0.00 H new ATOM 0 HB3 ALA A 45 7.841 -8.672 2.719 1.00 0.00 H new ATOM 694 N LEU A 46 8.749 -7.596 5.120 1.00 0.00 N ATOM 695 CA LEU A 46 9.044 -7.889 6.549 1.00 0.00 C ATOM 696 C LEU A 46 9.081 -6.583 7.334 1.00 0.00 C ATOM 697 O LEU A 46 8.477 -6.453 8.377 1.00 0.00 O ATOM 698 CB LEU A 46 10.419 -8.555 6.547 1.00 0.00 C ATOM 699 CG LEU A 46 10.902 -8.740 7.986 1.00 0.00 C ATOM 700 CD1 LEU A 46 11.481 -10.145 8.156 1.00 0.00 C ATOM 701 CD2 LEU A 46 11.985 -7.703 8.294 1.00 0.00 C ATOM 0 H LEU A 46 9.430 -7.958 4.452 1.00 0.00 H new ATOM 0 HA LEU A 46 8.292 -8.529 7.011 1.00 0.00 H new ATOM 0 HB2 LEU A 46 10.366 -9.520 6.044 1.00 0.00 H new ATOM 0 HB3 LEU A 46 11.129 -7.944 5.990 1.00 0.00 H new ATOM 0 HG LEU A 46 10.064 -8.609 8.670 1.00 0.00 H new ATOM 0 HD11 LEU A 46 11.825 -10.275 9.182 1.00 0.00 H new ATOM 0 HD12 LEU A 46 10.712 -10.885 7.934 1.00 0.00 H new ATOM 0 HD13 LEU A 46 12.320 -10.278 7.473 1.00 0.00 H new ATOM 0 HD21 LEU A 46 12.331 -7.832 9.319 1.00 0.00 H new ATOM 0 HD22 LEU A 46 12.822 -7.836 7.609 1.00 0.00 H new ATOM 0 HD23 LEU A 46 11.574 -6.701 8.174 1.00 0.00 H new ATOM 713 N ASP A 47 9.768 -5.602 6.830 1.00 0.00 N ATOM 714 CA ASP A 47 9.816 -4.305 7.546 1.00 0.00 C ATOM 715 C ASP A 47 8.389 -3.799 7.713 1.00 0.00 C ATOM 716 O ASP A 47 7.886 -3.664 8.810 1.00 0.00 O ATOM 717 CB ASP A 47 10.625 -3.379 6.639 1.00 0.00 C ATOM 718 CG ASP A 47 11.896 -2.938 7.366 1.00 0.00 C ATOM 719 OD1 ASP A 47 12.618 -3.803 7.833 1.00 0.00 O ATOM 720 OD2 ASP A 47 12.125 -1.742 7.444 1.00 0.00 O ATOM 0 H ASP A 47 10.296 -5.642 5.958 1.00 0.00 H new ATOM 0 HA ASP A 47 10.266 -4.370 8.536 1.00 0.00 H new ATOM 0 HB2 ASP A 47 10.882 -3.893 5.713 1.00 0.00 H new ATOM 0 HB3 ASP A 47 10.029 -2.508 6.365 1.00 0.00 H new ATOM 725 N ILE A 48 7.724 -3.551 6.621 1.00 0.00 N ATOM 726 CA ILE A 48 6.303 -3.080 6.708 1.00 0.00 C ATOM 727 C ILE A 48 5.503 -4.098 7.525 1.00 0.00 C ATOM 728 O ILE A 48 4.438 -3.806 8.033 1.00 0.00 O ATOM 729 CB ILE A 48 5.744 -2.946 5.254 1.00 0.00 C ATOM 730 CG1 ILE A 48 4.329 -3.556 5.151 1.00 0.00 C ATOM 731 CG2 ILE A 48 6.653 -3.627 4.227 1.00 0.00 C ATOM 732 CD1 ILE A 48 4.414 -5.066 4.870 1.00 0.00 C ATOM 0 H ILE A 48 8.094 -3.651 5.676 1.00 0.00 H new ATOM 0 HA ILE A 48 6.230 -2.111 7.201 1.00 0.00 H new ATOM 0 HB ILE A 48 5.704 -1.880 5.032 1.00 0.00 H new ATOM 0 HG12 ILE A 48 3.783 -3.383 6.078 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.771 -3.063 4.355 1.00 0.00 H new ATOM 0 HG21 ILE A 48 6.228 -3.510 3.230 1.00 0.00 H new ATOM 0 HG22 ILE A 48 7.642 -3.169 4.256 1.00 0.00 H new ATOM 0 HG23 ILE A 48 6.738 -4.688 4.463 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.408 -5.480 4.800 1.00 0.00 H new ATOM 0 HD12 ILE A 48 4.941 -5.232 3.930 1.00 0.00 H new ATOM 0 HD13 ILE A 48 4.953 -5.557 5.680 1.00 0.00 H new ATOM 744 N ALA A 49 6.013 -5.292 7.652 1.00 0.00 N ATOM 745 CA ALA A 49 5.293 -6.333 8.427 1.00 0.00 C ATOM 746 C ALA A 49 5.616 -6.210 9.919 1.00 0.00 C ATOM 747 O ALA A 49 4.736 -6.024 10.736 1.00 0.00 O ATOM 748 CB ALA A 49 5.798 -7.665 7.871 1.00 0.00 C ATOM 0 H ALA A 49 6.902 -5.590 7.249 1.00 0.00 H new ATOM 0 HA ALA A 49 4.211 -6.239 8.334 1.00 0.00 H new ATOM 0 HB1 ALA A 49 5.310 -8.487 8.395 1.00 0.00 H new ATOM 0 HB2 ALA A 49 5.568 -7.726 6.807 1.00 0.00 H new ATOM 0 HB3 ALA A 49 6.877 -7.733 8.013 1.00 0.00 H new ATOM 754 N ARG A 50 6.864 -6.319 10.286 1.00 0.00 N ATOM 755 CA ARG A 50 7.222 -6.215 11.728 1.00 0.00 C ATOM 756 C ARG A 50 7.110 -4.761 12.202 1.00 0.00 C ATOM 757 O ARG A 50 7.123 -4.482 13.383 1.00 0.00 O ATOM 758 CB ARG A 50 8.673 -6.698 11.830 1.00 0.00 C ATOM 759 CG ARG A 50 8.888 -7.945 10.961 1.00 0.00 C ATOM 760 CD ARG A 50 7.684 -8.885 11.071 1.00 0.00 C ATOM 761 NE ARG A 50 7.470 -9.061 12.535 1.00 0.00 N ATOM 762 CZ ARG A 50 6.297 -9.407 12.990 1.00 0.00 C ATOM 763 NH1 ARG A 50 5.751 -10.529 12.604 1.00 0.00 N ATOM 764 NH2 ARG A 50 5.670 -8.631 13.831 1.00 0.00 N ATOM 0 H ARG A 50 7.648 -6.475 9.652 1.00 0.00 H new ATOM 0 HA ARG A 50 6.554 -6.809 12.353 1.00 0.00 H new ATOM 0 HB2 ARG A 50 9.350 -5.905 11.512 1.00 0.00 H new ATOM 0 HB3 ARG A 50 8.914 -6.925 12.868 1.00 0.00 H new ATOM 0 HG2 ARG A 50 9.035 -7.651 9.922 1.00 0.00 H new ATOM 0 HG3 ARG A 50 9.793 -8.464 11.276 1.00 0.00 H new ATOM 0 HD2 ARG A 50 6.804 -8.458 10.591 1.00 0.00 H new ATOM 0 HD3 ARG A 50 7.881 -9.839 10.583 1.00 0.00 H new ATOM 0 HE ARG A 50 8.243 -8.911 13.184 1.00 0.00 H new ATOM 0 HH11 ARG A 50 6.242 -11.135 11.947 1.00 0.00 H new ATOM 0 HH12 ARG A 50 4.834 -10.799 12.960 1.00 0.00 H new ATOM 0 HH21 ARG A 50 6.097 -7.755 14.132 1.00 0.00 H new ATOM 0 HH22 ARG A 50 4.753 -8.900 14.187 1.00 0.00 H new ATOM 778 N LYS A 51 7.006 -3.834 11.289 1.00 0.00 N ATOM 779 CA LYS A 51 6.899 -2.402 11.688 1.00 0.00 C ATOM 780 C LYS A 51 5.600 -2.153 12.451 1.00 0.00 C ATOM 781 O LYS A 51 5.596 -1.510 13.481 1.00 0.00 O ATOM 782 CB LYS A 51 6.907 -1.625 10.372 1.00 0.00 C ATOM 783 CG LYS A 51 6.874 -0.123 10.657 1.00 0.00 C ATOM 784 CD LYS A 51 8.300 0.381 10.892 1.00 0.00 C ATOM 785 CE LYS A 51 8.307 1.390 12.043 1.00 0.00 C ATOM 786 NZ LYS A 51 9.637 1.220 12.693 1.00 0.00 N ATOM 0 H LYS A 51 6.991 -4.007 10.284 1.00 0.00 H new ATOM 0 HA LYS A 51 7.711 -2.098 12.348 1.00 0.00 H new ATOM 0 HB2 LYS A 51 7.798 -1.876 9.796 1.00 0.00 H new ATOM 0 HB3 LYS A 51 6.046 -1.909 9.766 1.00 0.00 H new ATOM 0 HG2 LYS A 51 6.422 0.408 9.819 1.00 0.00 H new ATOM 0 HG3 LYS A 51 6.256 0.079 11.532 1.00 0.00 H new ATOM 0 HD2 LYS A 51 8.958 -0.456 11.125 1.00 0.00 H new ATOM 0 HD3 LYS A 51 8.686 0.847 9.985 1.00 0.00 H new ATOM 0 HE2 LYS A 51 8.173 2.408 11.677 1.00 0.00 H new ATOM 0 HE3 LYS A 51 7.496 1.195 12.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 9.719 1.879 13.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 9.733 0.243 13.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 10.389 1.419 12.003 1.00 0.00 H new ATOM 800 N GLY A 52 4.494 -2.643 11.956 1.00 0.00 N ATOM 801 CA GLY A 52 3.209 -2.402 12.668 1.00 0.00 C ATOM 802 C GLY A 52 3.148 -0.924 13.045 1.00 0.00 C ATOM 803 O GLY A 52 2.530 -0.538 14.017 1.00 0.00 O ATOM 0 H GLY A 52 4.426 -3.193 11.100 1.00 0.00 H new ATOM 0 HA2 GLY A 52 2.365 -2.668 12.031 1.00 0.00 H new ATOM 0 HA3 GLY A 52 3.145 -3.026 13.560 1.00 0.00 H new ATOM 807 N GLN A 53 3.814 -0.100 12.283 1.00 0.00 N ATOM 808 CA GLN A 53 3.835 1.356 12.584 1.00 0.00 C ATOM 809 C GLN A 53 3.670 2.174 11.299 1.00 0.00 C ATOM 810 O GLN A 53 3.066 3.228 11.300 1.00 0.00 O ATOM 811 CB GLN A 53 5.216 1.596 13.194 1.00 0.00 C ATOM 812 CG GLN A 53 5.067 2.147 14.611 1.00 0.00 C ATOM 813 CD GLN A 53 5.027 0.990 15.615 1.00 0.00 C ATOM 814 OE1 GLN A 53 4.048 0.808 16.313 1.00 0.00 O ATOM 815 NE2 GLN A 53 6.057 0.196 15.716 1.00 0.00 N ATOM 0 H GLN A 53 4.348 -0.377 11.459 1.00 0.00 H new ATOM 0 HA GLN A 53 3.025 1.655 13.249 1.00 0.00 H new ATOM 0 HB2 GLN A 53 5.782 0.665 13.214 1.00 0.00 H new ATOM 0 HB3 GLN A 53 5.779 2.298 12.578 1.00 0.00 H new ATOM 0 HG2 GLN A 53 5.899 2.813 14.842 1.00 0.00 H new ATOM 0 HG3 GLN A 53 4.155 2.739 14.687 1.00 0.00 H new ATOM 0 HE21 GLN A 53 6.878 0.349 15.130 1.00 0.00 H new ATOM 0 HE22 GLN A 53 6.041 -0.578 16.381 1.00 0.00 H new ATOM 824 N PHE A 54 4.206 1.708 10.203 1.00 0.00 N ATOM 825 CA PHE A 54 4.074 2.482 8.936 1.00 0.00 C ATOM 826 C PHE A 54 2.634 2.969 8.767 1.00 0.00 C ATOM 827 O PHE A 54 1.734 2.531 9.456 1.00 0.00 O ATOM 828 CB PHE A 54 4.481 1.523 7.813 1.00 0.00 C ATOM 829 CG PHE A 54 3.453 0.428 7.650 1.00 0.00 C ATOM 830 CD1 PHE A 54 2.367 0.608 6.784 1.00 0.00 C ATOM 831 CD2 PHE A 54 3.596 -0.775 8.352 1.00 0.00 C ATOM 832 CE1 PHE A 54 1.426 -0.415 6.623 1.00 0.00 C ATOM 833 CE2 PHE A 54 2.654 -1.797 8.191 1.00 0.00 C ATOM 834 CZ PHE A 54 1.568 -1.617 7.326 1.00 0.00 C ATOM 0 H PHE A 54 4.725 0.833 10.130 1.00 0.00 H new ATOM 0 HA PHE A 54 4.705 3.371 8.929 1.00 0.00 H new ATOM 0 HB2 PHE A 54 4.586 2.073 6.878 1.00 0.00 H new ATOM 0 HB3 PHE A 54 5.454 1.085 8.036 1.00 0.00 H new ATOM 0 HD1 PHE A 54 2.256 1.535 6.241 1.00 0.00 H new ATOM 0 HD2 PHE A 54 4.434 -0.914 9.018 1.00 0.00 H new ATOM 0 HE1 PHE A 54 0.589 -0.277 5.955 1.00 0.00 H new ATOM 0 HE2 PHE A 54 2.765 -2.724 8.734 1.00 0.00 H new ATOM 0 HZ PHE A 54 0.840 -2.405 7.201 1.00 0.00 H new ATOM 844 N ASP A 55 2.415 3.896 7.875 1.00 0.00 N ATOM 845 CA ASP A 55 1.040 4.436 7.682 1.00 0.00 C ATOM 846 C ASP A 55 0.179 3.493 6.838 1.00 0.00 C ATOM 847 O ASP A 55 -0.908 3.120 7.231 1.00 0.00 O ATOM 848 CB ASP A 55 1.236 5.765 6.952 1.00 0.00 C ATOM 849 CG ASP A 55 0.346 6.832 7.592 1.00 0.00 C ATOM 850 OD1 ASP A 55 0.694 7.301 8.664 1.00 0.00 O ATOM 851 OD2 ASP A 55 -0.667 7.163 6.999 1.00 0.00 O ATOM 0 H ASP A 55 3.129 4.303 7.271 1.00 0.00 H new ATOM 0 HA ASP A 55 0.523 4.552 8.634 1.00 0.00 H new ATOM 0 HB2 ASP A 55 2.281 6.070 7.002 1.00 0.00 H new ATOM 0 HB3 ASP A 55 0.987 5.653 5.897 1.00 0.00 H new ATOM 856 N ILE A 56 0.634 3.126 5.670 1.00 0.00 N ATOM 857 CA ILE A 56 -0.193 2.234 4.801 1.00 0.00 C ATOM 858 C ILE A 56 0.687 1.203 4.080 1.00 0.00 C ATOM 859 O ILE A 56 1.896 1.325 4.050 1.00 0.00 O ATOM 860 CB ILE A 56 -0.827 3.188 3.791 1.00 0.00 C ATOM 861 CG1 ILE A 56 -1.834 4.115 4.508 1.00 0.00 C ATOM 862 CG2 ILE A 56 -1.519 2.382 2.689 1.00 0.00 C ATOM 863 CD1 ILE A 56 -3.258 3.564 4.405 1.00 0.00 C ATOM 0 H ILE A 56 1.535 3.402 5.281 1.00 0.00 H new ATOM 0 HA ILE A 56 -0.929 1.665 5.370 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.054 3.807 3.336 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.555 4.218 5.557 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.793 5.111 4.068 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -1.971 3.064 1.969 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -0.786 1.754 2.183 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -2.293 1.754 3.129 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -3.946 4.236 4.918 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -3.543 3.485 3.356 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -3.301 2.578 4.868 1.00 0.00 H new ATOM 875 N ALA A 57 0.096 0.182 3.499 1.00 0.00 N ATOM 876 CA ALA A 57 0.921 -0.841 2.794 1.00 0.00 C ATOM 877 C ALA A 57 0.162 -1.434 1.598 1.00 0.00 C ATOM 878 O ALA A 57 -1.036 -1.300 1.481 1.00 0.00 O ATOM 879 CB ALA A 57 1.167 -1.921 3.849 1.00 0.00 C ATOM 0 H ALA A 57 -0.911 0.018 3.485 1.00 0.00 H new ATOM 0 HA ALA A 57 1.843 -0.418 2.395 1.00 0.00 H new ATOM 0 HB1 ALA A 57 1.770 -2.720 3.418 1.00 0.00 H new ATOM 0 HB2 ALA A 57 1.694 -1.487 4.698 1.00 0.00 H new ATOM 0 HB3 ALA A 57 0.212 -2.327 4.184 1.00 0.00 H new ATOM 885 N ILE A 58 0.853 -2.105 0.718 1.00 0.00 N ATOM 886 CA ILE A 58 0.172 -2.737 -0.452 1.00 0.00 C ATOM 887 C ILE A 58 0.989 -3.947 -0.913 1.00 0.00 C ATOM 888 O ILE A 58 2.127 -3.825 -1.325 1.00 0.00 O ATOM 889 CB ILE A 58 0.090 -1.661 -1.536 1.00 0.00 C ATOM 890 CG1 ILE A 58 -1.034 -0.684 -1.186 1.00 0.00 C ATOM 891 CG2 ILE A 58 -0.210 -2.319 -2.885 1.00 0.00 C ATOM 892 CD1 ILE A 58 -0.451 0.519 -0.442 1.00 0.00 C ATOM 0 H ILE A 58 1.863 -2.244 0.757 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.828 -3.096 -0.210 1.00 0.00 H new ATOM 0 HB ILE A 58 1.038 -1.126 -1.597 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.539 -0.354 -2.094 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.782 -1.180 -0.567 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.269 -1.553 -3.658 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.585 -3.023 -3.131 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.160 -2.850 -2.827 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -1.252 1.215 -0.192 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.034 0.180 0.474 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.281 1.019 -1.076 1.00 0.00 H new ATOM 904 N ILE A 59 0.422 -5.117 -0.816 1.00 0.00 N ATOM 905 CA ILE A 59 1.158 -6.354 -1.212 1.00 0.00 C ATOM 906 C ILE A 59 0.226 -7.316 -1.953 1.00 0.00 C ATOM 907 O ILE A 59 -0.292 -8.241 -1.373 1.00 0.00 O ATOM 908 CB ILE A 59 1.578 -6.973 0.118 1.00 0.00 C ATOM 909 CG1 ILE A 59 2.225 -5.907 1.005 1.00 0.00 C ATOM 910 CG2 ILE A 59 2.571 -8.100 -0.135 1.00 0.00 C ATOM 911 CD1 ILE A 59 2.682 -6.545 2.318 1.00 0.00 C ATOM 0 H ILE A 59 -0.527 -5.272 -0.477 1.00 0.00 H new ATOM 0 HA ILE A 59 1.998 -6.145 -1.875 1.00 0.00 H new ATOM 0 HB ILE A 59 0.698 -7.372 0.622 1.00 0.00 H new ATOM 0 HG12 ILE A 59 3.075 -5.458 0.491 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.514 -5.105 1.206 1.00 0.00 H new ATOM 0 HG21 ILE A 59 2.870 -8.541 0.816 1.00 0.00 H new ATOM 0 HG22 ILE A 59 2.105 -8.863 -0.758 1.00 0.00 H new ATOM 0 HG23 ILE A 59 3.450 -7.703 -0.644 1.00 0.00 H new ATOM 0 HD11 ILE A 59 3.143 -5.786 2.950 1.00 0.00 H new ATOM 0 HD12 ILE A 59 1.822 -6.973 2.833 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.407 -7.331 2.108 1.00 0.00 H new ATOM 923 N ASP A 60 0.007 -7.111 -3.220 1.00 0.00 N ATOM 924 CA ASP A 60 -0.906 -8.023 -3.981 1.00 0.00 C ATOM 925 C ASP A 60 -0.750 -9.475 -3.517 1.00 0.00 C ATOM 926 O ASP A 60 0.345 -9.986 -3.394 1.00 0.00 O ATOM 927 CB ASP A 60 -0.472 -7.886 -5.431 1.00 0.00 C ATOM 928 CG ASP A 60 -1.461 -6.987 -6.174 1.00 0.00 C ATOM 929 OD1 ASP A 60 -2.647 -7.269 -6.114 1.00 0.00 O ATOM 930 OD2 ASP A 60 -1.017 -6.031 -6.789 1.00 0.00 O ATOM 0 H ASP A 60 0.418 -6.354 -3.766 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.953 -7.762 -3.830 1.00 0.00 H new ATOM 0 HB2 ASP A 60 0.531 -7.463 -5.483 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -0.429 -8.867 -5.904 1.00 0.00 H new ATOM 935 N VAL A 61 -1.846 -10.138 -3.254 1.00 0.00 N ATOM 936 CA VAL A 61 -1.775 -11.553 -2.791 1.00 0.00 C ATOM 937 C VAL A 61 -2.154 -12.506 -3.931 1.00 0.00 C ATOM 938 O VAL A 61 -2.428 -13.668 -3.719 1.00 0.00 O ATOM 939 CB VAL A 61 -2.762 -11.628 -1.612 1.00 0.00 C ATOM 940 CG1 VAL A 61 -4.123 -12.177 -2.057 1.00 0.00 C ATOM 941 CG2 VAL A 61 -2.179 -12.540 -0.532 1.00 0.00 C ATOM 0 H VAL A 61 -2.789 -9.758 -3.341 1.00 0.00 H new ATOM 0 HA VAL A 61 -0.773 -11.852 -2.483 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.912 -10.621 -1.223 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.797 -12.217 -1.201 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -4.546 -11.525 -2.821 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.995 -13.179 -2.465 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -2.872 -12.599 0.307 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -2.022 -13.537 -0.944 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.227 -12.135 -0.189 1.00 0.00 H new ATOM 951 N ASN A 62 -2.168 -12.014 -5.137 1.00 0.00 N ATOM 952 CA ASN A 62 -2.518 -12.876 -6.303 1.00 0.00 C ATOM 953 C ASN A 62 -2.104 -12.173 -7.588 1.00 0.00 C ATOM 954 O ASN A 62 -2.676 -12.384 -8.639 1.00 0.00 O ATOM 955 CB ASN A 62 -4.031 -13.021 -6.255 1.00 0.00 C ATOM 956 CG ASN A 62 -4.446 -14.338 -6.910 1.00 0.00 C ATOM 957 OD1 ASN A 62 -3.644 -14.998 -7.540 1.00 0.00 O ATOM 958 ND2 ASN A 62 -5.677 -14.751 -6.784 1.00 0.00 N ATOM 0 H ASN A 62 -1.951 -11.045 -5.369 1.00 0.00 H new ATOM 0 HA ASN A 62 -2.018 -13.844 -6.271 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -4.375 -12.994 -5.221 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -4.502 -12.184 -6.770 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -5.967 -15.629 -7.215 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -6.349 -14.196 -6.255 1.00 0.00 H new ATOM 965 N LEU A 63 -1.126 -11.322 -7.508 1.00 0.00 N ATOM 966 CA LEU A 63 -0.690 -10.590 -8.721 1.00 0.00 C ATOM 967 C LEU A 63 0.557 -11.234 -9.316 1.00 0.00 C ATOM 968 O LEU A 63 1.445 -11.677 -8.614 1.00 0.00 O ATOM 969 CB LEU A 63 -0.388 -9.171 -8.246 1.00 0.00 C ATOM 970 CG LEU A 63 0.012 -8.316 -9.447 1.00 0.00 C ATOM 971 CD1 LEU A 63 -0.431 -6.869 -9.223 1.00 0.00 C ATOM 972 CD2 LEU A 63 1.529 -8.361 -9.613 1.00 0.00 C ATOM 0 H LEU A 63 -0.610 -11.102 -6.656 1.00 0.00 H new ATOM 0 HA LEU A 63 -1.451 -10.604 -9.501 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.263 -8.744 -7.756 1.00 0.00 H new ATOM 0 HB3 LEU A 63 0.415 -9.184 -7.510 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.470 -8.704 -10.344 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.143 -6.263 -10.082 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -1.514 -6.835 -9.101 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.048 -6.477 -8.326 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.820 -7.752 -10.469 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.005 -7.972 -8.713 1.00 0.00 H new ATOM 0 HD23 LEU A 63 1.847 -9.391 -9.776 1.00 0.00 H new ATOM 984 N ASP A 64 0.625 -11.277 -10.611 1.00 0.00 N ATOM 985 CA ASP A 64 1.803 -11.875 -11.291 1.00 0.00 C ATOM 986 C ASP A 64 2.219 -13.216 -10.666 1.00 0.00 C ATOM 987 O ASP A 64 3.304 -13.695 -10.930 1.00 0.00 O ATOM 988 CB ASP A 64 2.922 -10.849 -11.112 1.00 0.00 C ATOM 989 CG ASP A 64 4.144 -11.287 -11.923 1.00 0.00 C ATOM 990 OD1 ASP A 64 4.011 -12.217 -12.701 1.00 0.00 O ATOM 991 OD2 ASP A 64 5.193 -10.685 -11.752 1.00 0.00 O ATOM 0 H ASP A 64 -0.095 -10.918 -11.238 1.00 0.00 H new ATOM 0 HA ASP A 64 1.580 -12.089 -12.336 1.00 0.00 H new ATOM 0 HB2 ASP A 64 2.586 -9.866 -11.441 1.00 0.00 H new ATOM 0 HB3 ASP A 64 3.184 -10.760 -10.058 1.00 0.00 H new ATOM 996 N GLY A 65 1.400 -13.852 -9.858 1.00 0.00 N ATOM 997 CA GLY A 65 1.859 -15.156 -9.296 1.00 0.00 C ATOM 998 C GLY A 65 1.160 -15.493 -7.980 1.00 0.00 C ATOM 999 O GLY A 65 0.874 -16.642 -7.732 1.00 0.00 O ATOM 0 H GLY A 65 0.472 -13.538 -9.575 1.00 0.00 H new ATOM 0 HA2 GLY A 65 1.670 -15.949 -10.020 1.00 0.00 H new ATOM 0 HA3 GLY A 65 2.937 -15.122 -9.135 1.00 0.00 H new ATOM 1003 N GLU A 66 0.919 -14.508 -7.140 1.00 0.00 N ATOM 1004 CA GLU A 66 0.260 -14.728 -5.804 1.00 0.00 C ATOM 1005 C GLU A 66 1.299 -14.976 -4.703 1.00 0.00 C ATOM 1006 O GLU A 66 1.050 -15.750 -3.800 1.00 0.00 O ATOM 1007 CB GLU A 66 -0.667 -15.950 -5.922 1.00 0.00 C ATOM 1008 CG GLU A 66 -1.436 -16.133 -4.614 1.00 0.00 C ATOM 1009 CD GLU A 66 -2.937 -16.215 -4.902 1.00 0.00 C ATOM 1010 OE1 GLU A 66 -3.290 -16.691 -5.968 1.00 0.00 O ATOM 1011 OE2 GLU A 66 -3.707 -15.806 -4.048 1.00 0.00 O ATOM 0 H GLU A 66 1.158 -13.535 -7.330 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.304 -13.836 -5.533 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -1.363 -15.814 -6.750 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -0.083 -16.844 -6.141 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -1.103 -17.040 -4.110 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -1.230 -15.300 -3.941 1.00 0.00 H new ATOM 1018 N PRO A 67 2.423 -14.303 -4.781 1.00 0.00 N ATOM 1019 CA PRO A 67 3.450 -14.474 -3.738 1.00 0.00 C ATOM 1020 C PRO A 67 3.029 -13.739 -2.466 1.00 0.00 C ATOM 1021 O PRO A 67 2.523 -14.326 -1.531 1.00 0.00 O ATOM 1022 CB PRO A 67 4.700 -13.837 -4.341 1.00 0.00 C ATOM 1023 CG PRO A 67 4.197 -12.861 -5.359 1.00 0.00 C ATOM 1024 CD PRO A 67 2.845 -13.346 -5.816 1.00 0.00 C ATOM 0 HA PRO A 67 3.608 -15.516 -3.460 1.00 0.00 H new ATOM 0 HB2 PRO A 67 5.294 -13.336 -3.576 1.00 0.00 H new ATOM 0 HB3 PRO A 67 5.341 -14.589 -4.801 1.00 0.00 H new ATOM 0 HG2 PRO A 67 4.122 -11.862 -4.929 1.00 0.00 H new ATOM 0 HG3 PRO A 67 4.886 -12.795 -6.201 1.00 0.00 H new ATOM 0 HD2 PRO A 67 2.138 -12.521 -5.905 1.00 0.00 H new ATOM 0 HD3 PRO A 67 2.905 -13.822 -6.795 1.00 0.00 H new ATOM 1032 N SER A 68 3.246 -12.455 -2.428 1.00 0.00 N ATOM 1033 CA SER A 68 2.876 -11.648 -1.222 1.00 0.00 C ATOM 1034 C SER A 68 3.328 -12.334 0.080 1.00 0.00 C ATOM 1035 O SER A 68 2.945 -11.927 1.158 1.00 0.00 O ATOM 1036 CB SER A 68 1.356 -11.551 -1.276 1.00 0.00 C ATOM 1037 OG SER A 68 0.790 -12.464 -0.346 1.00 0.00 O ATOM 0 H SER A 68 3.668 -11.920 -3.187 1.00 0.00 H new ATOM 0 HA SER A 68 3.360 -10.672 -1.227 1.00 0.00 H new ATOM 0 HB2 SER A 68 1.037 -10.535 -1.044 1.00 0.00 H new ATOM 0 HB3 SER A 68 1.002 -11.774 -2.282 1.00 0.00 H new ATOM 0 HG SER A 68 1.087 -13.373 -0.558 1.00 0.00 H new ATOM 1043 N TYR A 69 4.161 -13.344 -0.014 1.00 0.00 N ATOM 1044 CA TYR A 69 4.666 -14.058 1.200 1.00 0.00 C ATOM 1045 C TYR A 69 3.545 -14.344 2.210 1.00 0.00 C ATOM 1046 O TYR A 69 2.418 -13.888 2.079 1.00 0.00 O ATOM 1047 CB TYR A 69 5.749 -13.161 1.833 1.00 0.00 C ATOM 1048 CG TYR A 69 5.848 -11.830 1.120 1.00 0.00 C ATOM 1049 CD1 TYR A 69 6.522 -11.735 -0.103 1.00 0.00 C ATOM 1050 CD2 TYR A 69 5.255 -10.699 1.682 1.00 0.00 C ATOM 1051 CE1 TYR A 69 6.600 -10.502 -0.762 1.00 0.00 C ATOM 1052 CE2 TYR A 69 5.333 -9.468 1.026 1.00 0.00 C ATOM 1053 CZ TYR A 69 6.007 -9.368 -0.196 1.00 0.00 C ATOM 1054 OH TYR A 69 6.082 -8.153 -0.845 1.00 0.00 O ATOM 0 H TYR A 69 4.518 -13.709 -0.897 1.00 0.00 H new ATOM 0 HA TYR A 69 5.072 -15.028 0.914 1.00 0.00 H new ATOM 0 HB2 TYR A 69 5.518 -12.996 2.885 1.00 0.00 H new ATOM 0 HB3 TYR A 69 6.713 -13.669 1.795 1.00 0.00 H new ATOM 0 HD1 TYR A 69 6.981 -12.611 -0.537 1.00 0.00 H new ATOM 0 HD2 TYR A 69 4.735 -10.775 2.625 1.00 0.00 H new ATOM 0 HE1 TYR A 69 7.118 -10.426 -1.707 1.00 0.00 H new ATOM 0 HE2 TYR A 69 4.873 -8.594 1.462 1.00 0.00 H new ATOM 0 HH TYR A 69 6.917 -7.703 -0.601 1.00 0.00 H new ATOM 1064 N PRO A 70 3.909 -15.106 3.202 1.00 0.00 N ATOM 1065 CA PRO A 70 2.953 -15.482 4.265 1.00 0.00 C ATOM 1066 C PRO A 70 2.585 -14.261 5.108 1.00 0.00 C ATOM 1067 O PRO A 70 1.768 -14.347 6.004 1.00 0.00 O ATOM 1068 CB PRO A 70 3.722 -16.510 5.093 1.00 0.00 C ATOM 1069 CG PRO A 70 5.160 -16.199 4.840 1.00 0.00 C ATOM 1070 CD PRO A 70 5.239 -15.685 3.429 1.00 0.00 C ATOM 0 HA PRO A 70 2.013 -15.875 3.878 1.00 0.00 H new ATOM 0 HB2 PRO A 70 3.479 -16.427 6.152 1.00 0.00 H new ATOM 0 HB3 PRO A 70 3.477 -17.527 4.788 1.00 0.00 H new ATOM 0 HG2 PRO A 70 5.527 -15.454 5.546 1.00 0.00 H new ATOM 0 HG3 PRO A 70 5.778 -17.088 4.965 1.00 0.00 H new ATOM 0 HD2 PRO A 70 6.026 -14.939 3.317 1.00 0.00 H new ATOM 0 HD3 PRO A 70 5.455 -16.486 2.721 1.00 0.00 H new ATOM 1078 N VAL A 71 3.164 -13.119 4.832 1.00 0.00 N ATOM 1079 CA VAL A 71 2.803 -11.926 5.642 1.00 0.00 C ATOM 1080 C VAL A 71 1.619 -11.217 4.991 1.00 0.00 C ATOM 1081 O VAL A 71 0.551 -11.203 5.547 1.00 0.00 O ATOM 1082 CB VAL A 71 4.070 -11.025 5.783 1.00 0.00 C ATOM 1083 CG1 VAL A 71 5.310 -11.721 5.211 1.00 0.00 C ATOM 1084 CG2 VAL A 71 3.885 -9.671 5.077 1.00 0.00 C ATOM 0 H VAL A 71 3.855 -12.966 4.097 1.00 0.00 H new ATOM 0 HA VAL A 71 2.485 -12.199 6.648 1.00 0.00 H new ATOM 0 HB VAL A 71 4.212 -10.850 6.850 1.00 0.00 H new ATOM 0 HG11 VAL A 71 6.177 -11.070 5.323 1.00 0.00 H new ATOM 0 HG12 VAL A 71 5.484 -12.653 5.748 1.00 0.00 H new ATOM 0 HG13 VAL A 71 5.152 -11.936 4.154 1.00 0.00 H new ATOM 0 HG21 VAL A 71 4.788 -9.072 5.197 1.00 0.00 H new ATOM 0 HG22 VAL A 71 3.698 -9.836 4.016 1.00 0.00 H new ATOM 0 HG23 VAL A 71 3.038 -9.144 5.517 1.00 0.00 H new ATOM 1094 N ALA A 72 1.774 -10.667 3.809 1.00 0.00 N ATOM 1095 CA ALA A 72 0.607 -10.015 3.133 1.00 0.00 C ATOM 1096 C ALA A 72 -0.616 -10.871 3.406 1.00 0.00 C ATOM 1097 O ALA A 72 -1.713 -10.393 3.619 1.00 0.00 O ATOM 1098 CB ALA A 72 0.953 -10.070 1.659 1.00 0.00 C ATOM 0 H ALA A 72 2.650 -10.641 3.287 1.00 0.00 H new ATOM 0 HA ALA A 72 0.409 -8.997 3.469 1.00 0.00 H new ATOM 0 HB1 ALA A 72 0.151 -9.612 1.080 1.00 0.00 H new ATOM 0 HB2 ALA A 72 1.882 -9.528 1.483 1.00 0.00 H new ATOM 0 HB3 ALA A 72 1.075 -11.109 1.352 1.00 0.00 H new ATOM 1104 N ASP A 73 -0.391 -12.153 3.443 1.00 0.00 N ATOM 1105 CA ASP A 73 -1.480 -13.106 3.749 1.00 0.00 C ATOM 1106 C ASP A 73 -1.920 -12.911 5.197 1.00 0.00 C ATOM 1107 O ASP A 73 -3.078 -12.690 5.502 1.00 0.00 O ATOM 1108 CB ASP A 73 -0.811 -14.459 3.602 1.00 0.00 C ATOM 1109 CG ASP A 73 -0.849 -14.900 2.136 1.00 0.00 C ATOM 1110 OD1 ASP A 73 -1.924 -15.231 1.665 1.00 0.00 O ATOM 1111 OD2 ASP A 73 0.199 -14.900 1.510 1.00 0.00 O ATOM 0 H ASP A 73 0.518 -12.583 3.271 1.00 0.00 H new ATOM 0 HA ASP A 73 -2.357 -12.988 3.113 1.00 0.00 H new ATOM 0 HB2 ASP A 73 0.221 -14.404 3.948 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -1.318 -15.195 4.226 1.00 0.00 H new ATOM 1116 N ILE A 74 -0.975 -12.986 6.087 1.00 0.00 N ATOM 1117 CA ILE A 74 -1.279 -12.803 7.532 1.00 0.00 C ATOM 1118 C ILE A 74 -1.747 -11.369 7.767 1.00 0.00 C ATOM 1119 O ILE A 74 -2.640 -11.109 8.547 1.00 0.00 O ATOM 1120 CB ILE A 74 0.047 -13.081 8.253 1.00 0.00 C ATOM 1121 CG1 ILE A 74 0.199 -14.591 8.463 1.00 0.00 C ATOM 1122 CG2 ILE A 74 0.066 -12.377 9.615 1.00 0.00 C ATOM 1123 CD1 ILE A 74 1.477 -14.875 9.256 1.00 0.00 C ATOM 0 H ILE A 74 0.006 -13.168 5.874 1.00 0.00 H new ATOM 0 HA ILE A 74 -2.069 -13.462 7.892 1.00 0.00 H new ATOM 0 HB ILE A 74 0.870 -12.703 7.646 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -0.667 -14.983 8.997 1.00 0.00 H new ATOM 0 HG13 ILE A 74 0.236 -15.100 7.500 1.00 0.00 H new ATOM 0 HG21 ILE A 74 1.012 -12.582 10.117 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -0.043 -11.302 9.471 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -0.757 -12.746 10.227 1.00 0.00 H new ATOM 0 HD11 ILE A 74 1.582 -15.950 9.404 1.00 0.00 H new ATOM 0 HD12 ILE A 74 2.339 -14.498 8.705 1.00 0.00 H new ATOM 0 HD13 ILE A 74 1.422 -14.379 10.225 1.00 0.00 H new ATOM 1135 N LEU A 75 -1.155 -10.441 7.074 1.00 0.00 N ATOM 1136 CA LEU A 75 -1.556 -9.024 7.220 1.00 0.00 C ATOM 1137 C LEU A 75 -3.051 -8.896 6.932 1.00 0.00 C ATOM 1138 O LEU A 75 -3.715 -8.014 7.425 1.00 0.00 O ATOM 1139 CB LEU A 75 -0.726 -8.287 6.166 1.00 0.00 C ATOM 1140 CG LEU A 75 -0.294 -6.926 6.709 1.00 0.00 C ATOM 1141 CD1 LEU A 75 0.915 -7.107 7.630 1.00 0.00 C ATOM 1142 CD2 LEU A 75 0.089 -6.016 5.539 1.00 0.00 C ATOM 0 H LEU A 75 -0.403 -10.609 6.406 1.00 0.00 H new ATOM 0 HA LEU A 75 -1.387 -8.622 8.219 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.150 -8.878 5.901 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -1.310 -8.157 5.255 1.00 0.00 H new ATOM 0 HG LEU A 75 -1.114 -6.477 7.270 1.00 0.00 H new ATOM 0 HD11 LEU A 75 1.225 -6.137 8.019 1.00 0.00 H new ATOM 0 HD12 LEU A 75 0.646 -7.761 8.459 1.00 0.00 H new ATOM 0 HD13 LEU A 75 1.737 -7.552 7.069 1.00 0.00 H new ATOM 0 HD21 LEU A 75 0.398 -5.043 5.921 1.00 0.00 H new ATOM 0 HD22 LEU A 75 0.911 -6.465 4.983 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -0.770 -5.891 4.879 1.00 0.00 H new ATOM 1154 N ALA A 76 -3.582 -9.784 6.139 1.00 0.00 N ATOM 1155 CA ALA A 76 -5.031 -9.730 5.815 1.00 0.00 C ATOM 1156 C ALA A 76 -5.857 -10.289 6.976 1.00 0.00 C ATOM 1157 O ALA A 76 -6.944 -9.826 7.255 1.00 0.00 O ATOM 1158 CB ALA A 76 -5.189 -10.610 4.573 1.00 0.00 C ATOM 0 H ALA A 76 -3.070 -10.549 5.700 1.00 0.00 H new ATOM 0 HA ALA A 76 -5.378 -8.711 5.643 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -6.235 -10.624 4.267 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -4.580 -10.209 3.763 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -4.865 -11.625 4.803 1.00 0.00 H new ATOM 1164 N GLU A 77 -5.360 -11.293 7.647 1.00 0.00 N ATOM 1165 CA GLU A 77 -6.134 -11.883 8.776 1.00 0.00 C ATOM 1166 C GLU A 77 -6.088 -10.979 10.021 1.00 0.00 C ATOM 1167 O GLU A 77 -6.912 -11.097 10.907 1.00 0.00 O ATOM 1168 CB GLU A 77 -5.465 -13.230 9.055 1.00 0.00 C ATOM 1169 CG GLU A 77 -4.130 -13.013 9.771 1.00 0.00 C ATOM 1170 CD GLU A 77 -4.153 -13.734 11.120 1.00 0.00 C ATOM 1171 OE1 GLU A 77 -5.237 -14.056 11.578 1.00 0.00 O ATOM 1172 OE2 GLU A 77 -3.087 -13.952 11.670 1.00 0.00 O ATOM 0 H GLU A 77 -4.456 -11.728 7.463 1.00 0.00 H new ATOM 0 HA GLU A 77 -7.189 -11.993 8.526 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -6.119 -13.850 9.668 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -5.303 -13.765 8.120 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -3.311 -13.390 9.159 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -3.953 -11.948 9.919 1.00 0.00 H new ATOM 1179 N ARG A 78 -5.138 -10.084 10.102 1.00 0.00 N ATOM 1180 CA ARG A 78 -5.060 -9.190 11.296 1.00 0.00 C ATOM 1181 C ARG A 78 -4.857 -7.723 10.880 1.00 0.00 C ATOM 1182 O ARG A 78 -5.230 -6.818 11.597 1.00 0.00 O ATOM 1183 CB ARG A 78 -3.860 -9.695 12.097 1.00 0.00 C ATOM 1184 CG ARG A 78 -2.591 -9.586 11.249 1.00 0.00 C ATOM 1185 CD ARG A 78 -1.641 -8.565 11.878 1.00 0.00 C ATOM 1186 NE ARG A 78 -0.968 -9.298 12.986 1.00 0.00 N ATOM 1187 CZ ARG A 78 -1.073 -8.866 14.214 1.00 0.00 C ATOM 1188 NH1 ARG A 78 -1.027 -7.585 14.461 1.00 0.00 N ATOM 1189 NH2 ARG A 78 -1.225 -9.715 15.192 1.00 0.00 N ATOM 0 H ARG A 78 -4.416 -9.934 9.397 1.00 0.00 H new ATOM 0 HA ARG A 78 -5.981 -9.216 11.878 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -3.749 -9.112 13.011 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -4.021 -10.730 12.397 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -2.103 -10.558 11.180 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -2.845 -9.284 10.233 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -0.917 -8.198 11.150 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -2.185 -7.697 12.252 1.00 0.00 H new ATOM 0 HE ARG A 78 -0.425 -10.138 12.786 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -0.909 -6.922 13.695 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -1.109 -7.247 15.420 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -1.262 -10.716 14.998 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -1.307 -9.378 16.151 1.00 0.00 H new ATOM 1203 N ASN A 79 -4.277 -7.505 9.725 1.00 0.00 N ATOM 1204 CA ASN A 79 -4.021 -6.119 9.189 1.00 0.00 C ATOM 1205 C ASN A 79 -4.197 -5.005 10.232 1.00 0.00 C ATOM 1206 O ASN A 79 -5.288 -4.709 10.679 1.00 0.00 O ATOM 1207 CB ASN A 79 -5.012 -5.919 8.033 1.00 0.00 C ATOM 1208 CG ASN A 79 -6.208 -6.863 8.163 1.00 0.00 C ATOM 1209 OD1 ASN A 79 -6.711 -7.081 9.244 1.00 0.00 O ATOM 1210 ND2 ASN A 79 -6.683 -7.434 7.092 1.00 0.00 N ATOM 0 H ASN A 79 -3.958 -8.252 9.108 1.00 0.00 H new ATOM 0 HA ASN A 79 -2.980 -6.048 8.874 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -5.360 -4.886 8.023 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -4.508 -6.095 7.083 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -7.480 -8.066 7.162 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -6.257 -7.248 6.184 1.00 0.00 H new ATOM 1217 N VAL A 80 -3.115 -4.365 10.581 1.00 0.00 N ATOM 1218 CA VAL A 80 -3.153 -3.234 11.558 1.00 0.00 C ATOM 1219 C VAL A 80 -3.555 -1.950 10.786 1.00 0.00 C ATOM 1220 O VAL A 80 -3.992 -2.065 9.658 1.00 0.00 O ATOM 1221 CB VAL A 80 -1.708 -3.239 12.096 1.00 0.00 C ATOM 1222 CG1 VAL A 80 -0.827 -2.211 11.370 1.00 0.00 C ATOM 1223 CG2 VAL A 80 -1.710 -2.987 13.609 1.00 0.00 C ATOM 0 H VAL A 80 -2.185 -4.582 10.223 1.00 0.00 H new ATOM 0 HA VAL A 80 -3.870 -3.303 12.376 1.00 0.00 H new ATOM 0 HB VAL A 80 -1.279 -4.222 11.902 1.00 0.00 H new ATOM 0 HG11 VAL A 80 0.183 -2.245 11.778 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -0.797 -2.445 10.306 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -1.241 -1.213 11.511 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.685 -2.992 13.980 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -2.166 -2.019 13.816 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -2.280 -3.771 14.108 1.00 0.00 H new ATOM 1233 N PRO A 81 -3.420 -0.764 11.363 1.00 0.00 N ATOM 1234 CA PRO A 81 -3.816 0.451 10.604 1.00 0.00 C ATOM 1235 C PRO A 81 -2.965 0.542 9.341 1.00 0.00 C ATOM 1236 O PRO A 81 -1.753 0.571 9.396 1.00 0.00 O ATOM 1237 CB PRO A 81 -3.571 1.597 11.582 1.00 0.00 C ATOM 1238 CG PRO A 81 -2.574 1.055 12.549 1.00 0.00 C ATOM 1239 CD PRO A 81 -2.892 -0.413 12.692 1.00 0.00 C ATOM 0 HA PRO A 81 -4.852 0.458 10.264 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -3.189 2.480 11.071 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -4.491 1.893 12.085 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -1.557 1.201 12.184 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -2.644 1.565 13.510 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -2.006 -0.996 12.942 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -3.625 -0.593 13.479 1.00 0.00 H new ATOM 1247 N PHE A 82 -3.602 0.531 8.198 1.00 0.00 N ATOM 1248 CA PHE A 82 -2.849 0.545 6.915 1.00 0.00 C ATOM 1249 C PHE A 82 -3.813 0.451 5.721 1.00 0.00 C ATOM 1250 O PHE A 82 -4.929 0.928 5.752 1.00 0.00 O ATOM 1251 CB PHE A 82 -2.008 -0.745 6.982 1.00 0.00 C ATOM 1252 CG PHE A 82 -2.864 -1.957 6.618 1.00 0.00 C ATOM 1253 CD1 PHE A 82 -4.230 -1.994 6.952 1.00 0.00 C ATOM 1254 CD2 PHE A 82 -2.291 -3.036 5.932 1.00 0.00 C ATOM 1255 CE1 PHE A 82 -5.012 -3.097 6.600 1.00 0.00 C ATOM 1256 CE2 PHE A 82 -3.080 -4.143 5.584 1.00 0.00 C ATOM 1257 CZ PHE A 82 -4.437 -4.170 5.917 1.00 0.00 C ATOM 0 H PHE A 82 -4.617 0.513 8.101 1.00 0.00 H new ATOM 0 HA PHE A 82 -2.261 1.453 6.786 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -1.162 -0.671 6.299 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -1.599 -0.868 7.985 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -4.676 -1.166 7.483 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -1.243 -3.016 5.671 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -6.061 -3.119 6.856 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -2.638 -4.976 5.058 1.00 0.00 H new ATOM 0 HZ PHE A 82 -5.042 -5.023 5.645 1.00 0.00 H new ATOM 1267 N ILE A 83 -3.376 -0.231 4.696 1.00 0.00 N ATOM 1268 CA ILE A 83 -4.214 -0.473 3.494 1.00 0.00 C ATOM 1269 C ILE A 83 -3.575 -1.631 2.734 1.00 0.00 C ATOM 1270 O ILE A 83 -2.466 -2.023 3.039 1.00 0.00 O ATOM 1271 CB ILE A 83 -4.211 0.834 2.691 1.00 0.00 C ATOM 1272 CG1 ILE A 83 -5.651 1.191 2.310 1.00 0.00 C ATOM 1273 CG2 ILE A 83 -3.373 0.708 1.411 1.00 0.00 C ATOM 1274 CD1 ILE A 83 -5.902 2.676 2.579 1.00 0.00 C ATOM 0 H ILE A 83 -2.443 -0.641 4.645 1.00 0.00 H new ATOM 0 HA ILE A 83 -5.247 -0.741 3.717 1.00 0.00 H new ATOM 0 HB ILE A 83 -3.770 1.613 3.313 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -5.825 0.968 1.257 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -6.351 0.584 2.885 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -3.394 1.653 0.868 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.344 0.463 1.673 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -3.785 -0.081 0.782 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -6.927 2.927 2.307 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -5.746 2.886 3.637 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -5.212 3.275 1.985 1.00 0.00 H new ATOM 1286 N PHE A 84 -4.255 -2.195 1.780 1.00 0.00 N ATOM 1287 CA PHE A 84 -3.662 -3.343 1.039 1.00 0.00 C ATOM 1288 C PHE A 84 -4.328 -3.515 -0.327 1.00 0.00 C ATOM 1289 O PHE A 84 -5.369 -2.942 -0.629 1.00 0.00 O ATOM 1290 CB PHE A 84 -3.946 -4.547 1.933 1.00 0.00 C ATOM 1291 CG PHE A 84 -3.221 -5.791 1.434 1.00 0.00 C ATOM 1292 CD1 PHE A 84 -3.737 -6.512 0.346 1.00 0.00 C ATOM 1293 CD2 PHE A 84 -2.047 -6.241 2.069 1.00 0.00 C ATOM 1294 CE1 PHE A 84 -3.088 -7.668 -0.107 1.00 0.00 C ATOM 1295 CE2 PHE A 84 -1.406 -7.403 1.611 1.00 0.00 C ATOM 1296 CZ PHE A 84 -1.928 -8.112 0.526 1.00 0.00 C ATOM 0 H PHE A 84 -5.189 -1.915 1.481 1.00 0.00 H new ATOM 0 HA PHE A 84 -2.599 -3.207 0.841 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -3.634 -4.326 2.954 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -5.019 -4.736 1.962 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -4.638 -6.174 -0.144 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -1.641 -5.693 2.906 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -3.487 -8.216 -0.948 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -0.507 -7.750 2.099 1.00 0.00 H new ATOM 0 HZ PHE A 84 -1.432 -9.006 0.177 1.00 0.00 H new ATOM 1306 N ALA A 85 -3.742 -4.311 -1.160 1.00 0.00 N ATOM 1307 CA ALA A 85 -4.345 -4.535 -2.486 1.00 0.00 C ATOM 1308 C ALA A 85 -4.146 -5.995 -2.899 1.00 0.00 C ATOM 1309 O ALA A 85 -3.163 -6.618 -2.552 1.00 0.00 O ATOM 1310 CB ALA A 85 -3.605 -3.580 -3.420 1.00 0.00 C ATOM 0 H ALA A 85 -2.874 -4.815 -0.980 1.00 0.00 H new ATOM 0 HA ALA A 85 -5.419 -4.350 -2.505 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -3.996 -3.685 -4.432 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -3.749 -2.554 -3.080 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -2.541 -3.818 -3.416 1.00 0.00 H new ATOM 1316 N THR A 86 -5.072 -6.548 -3.628 1.00 0.00 N ATOM 1317 CA THR A 86 -4.931 -7.970 -4.049 1.00 0.00 C ATOM 1318 C THR A 86 -5.759 -8.219 -5.311 1.00 0.00 C ATOM 1319 O THR A 86 -6.464 -7.348 -5.771 1.00 0.00 O ATOM 1320 CB THR A 86 -5.479 -8.790 -2.881 1.00 0.00 C ATOM 1321 OG1 THR A 86 -5.298 -10.173 -3.150 1.00 0.00 O ATOM 1322 CG2 THR A 86 -6.966 -8.496 -2.695 1.00 0.00 C ATOM 0 H THR A 86 -5.919 -6.080 -3.951 1.00 0.00 H new ATOM 0 HA THR A 86 -3.899 -8.235 -4.279 1.00 0.00 H new ATOM 0 HB THR A 86 -4.944 -8.522 -1.970 1.00 0.00 H new ATOM 0 HG1 THR A 86 -6.171 -10.616 -3.188 1.00 0.00 H new ATOM 0 HG21 THR A 86 -7.351 -9.083 -1.861 1.00 0.00 H new ATOM 0 HG22 THR A 86 -7.104 -7.435 -2.486 1.00 0.00 H new ATOM 0 HG23 THR A 86 -7.506 -8.760 -3.605 1.00 0.00 H new ATOM 1330 N GLY A 87 -5.687 -9.399 -5.866 1.00 0.00 N ATOM 1331 CA GLY A 87 -6.479 -9.695 -7.097 1.00 0.00 C ATOM 1332 C GLY A 87 -7.876 -9.076 -6.978 1.00 0.00 C ATOM 1333 O GLY A 87 -8.506 -8.751 -7.966 1.00 0.00 O ATOM 0 H GLY A 87 -5.115 -10.170 -5.522 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -5.968 -9.296 -7.974 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -6.560 -10.773 -7.238 1.00 0.00 H new ATOM 1337 N TYR A 88 -8.364 -8.908 -5.777 1.00 0.00 N ATOM 1338 CA TYR A 88 -9.715 -8.304 -5.598 1.00 0.00 C ATOM 1339 C TYR A 88 -9.638 -7.115 -4.634 1.00 0.00 C ATOM 1340 O TYR A 88 -10.586 -6.802 -3.942 1.00 0.00 O ATOM 1341 CB TYR A 88 -10.585 -9.420 -5.014 1.00 0.00 C ATOM 1342 CG TYR A 88 -9.822 -10.173 -3.947 1.00 0.00 C ATOM 1343 CD1 TYR A 88 -8.885 -11.149 -4.310 1.00 0.00 C ATOM 1344 CD2 TYR A 88 -10.059 -9.899 -2.595 1.00 0.00 C ATOM 1345 CE1 TYR A 88 -8.183 -11.849 -3.320 1.00 0.00 C ATOM 1346 CE2 TYR A 88 -9.359 -10.600 -1.605 1.00 0.00 C ATOM 1347 CZ TYR A 88 -8.421 -11.575 -1.967 1.00 0.00 C ATOM 1348 OH TYR A 88 -7.731 -12.265 -0.989 1.00 0.00 O ATOM 0 H TYR A 88 -7.885 -9.163 -4.913 1.00 0.00 H new ATOM 0 HA TYR A 88 -10.124 -7.927 -6.535 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -11.496 -8.997 -4.590 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -10.890 -10.105 -5.805 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -8.704 -11.362 -5.353 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -10.782 -9.147 -2.315 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -7.459 -12.600 -3.600 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -9.543 -10.389 -0.562 1.00 0.00 H new ATOM 0 HH TYR A 88 -8.015 -11.952 -0.105 1.00 0.00 H new ATOM 1358 N GLY A 89 -8.515 -6.445 -4.591 1.00 0.00 N ATOM 1359 CA GLY A 89 -8.375 -5.271 -3.682 1.00 0.00 C ATOM 1360 C GLY A 89 -8.063 -5.749 -2.264 1.00 0.00 C ATOM 1361 O GLY A 89 -6.979 -5.548 -1.755 1.00 0.00 O ATOM 0 H GLY A 89 -7.688 -6.662 -5.148 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -7.580 -4.616 -4.038 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -9.295 -4.686 -3.684 1.00 0.00 H new ATOM 1365 N SER A 90 -9.007 -6.378 -1.623 1.00 0.00 N ATOM 1366 CA SER A 90 -8.773 -6.869 -0.236 1.00 0.00 C ATOM 1367 C SER A 90 -10.039 -7.543 0.302 1.00 0.00 C ATOM 1368 O SER A 90 -11.120 -6.995 0.235 1.00 0.00 O ATOM 1369 CB SER A 90 -8.441 -5.618 0.576 1.00 0.00 C ATOM 1370 OG SER A 90 -7.029 -5.476 0.665 1.00 0.00 O ATOM 0 H SER A 90 -9.934 -6.574 -2.001 1.00 0.00 H new ATOM 0 HA SER A 90 -7.973 -7.608 -0.186 1.00 0.00 H new ATOM 0 HB2 SER A 90 -8.877 -4.738 0.104 1.00 0.00 H new ATOM 0 HB3 SER A 90 -8.874 -5.692 1.574 1.00 0.00 H new ATOM 0 HG SER A 90 -6.630 -5.612 -0.220 1.00 0.00 H new ATOM 1376 N LYS A 91 -9.912 -8.728 0.834 1.00 0.00 N ATOM 1377 CA LYS A 91 -11.106 -9.434 1.375 1.00 0.00 C ATOM 1378 C LYS A 91 -11.659 -8.674 2.581 1.00 0.00 C ATOM 1379 O LYS A 91 -11.633 -9.160 3.695 1.00 0.00 O ATOM 1380 CB LYS A 91 -10.584 -10.800 1.808 1.00 0.00 C ATOM 1381 CG LYS A 91 -9.498 -10.604 2.866 1.00 0.00 C ATOM 1382 CD LYS A 91 -9.659 -11.652 3.967 1.00 0.00 C ATOM 1383 CE LYS A 91 -8.461 -11.577 4.917 1.00 0.00 C ATOM 1384 NZ LYS A 91 -8.975 -12.047 6.235 1.00 0.00 N ATOM 0 H LYS A 91 -9.032 -9.237 0.917 1.00 0.00 H new ATOM 0 HA LYS A 91 -11.912 -9.512 0.645 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -11.397 -11.404 2.210 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -10.181 -11.339 0.950 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -8.512 -10.690 2.410 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -9.566 -9.602 3.291 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -10.585 -11.480 4.516 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -9.729 -12.648 3.529 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -7.642 -12.205 4.567 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -8.076 -10.560 4.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -8.234 -12.589 6.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -9.244 -11.227 6.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -9.807 -12.654 6.087 1.00 0.00 H new ATOM 1398 N GLY A 92 -12.148 -7.483 2.375 1.00 0.00 N ATOM 1399 CA GLY A 92 -12.684 -6.697 3.519 1.00 0.00 C ATOM 1400 C GLY A 92 -11.606 -6.589 4.596 1.00 0.00 C ATOM 1401 O GLY A 92 -11.861 -6.811 5.764 1.00 0.00 O ATOM 0 H GLY A 92 -12.199 -7.022 1.467 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -12.984 -5.704 3.186 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -13.574 -7.180 3.924 1.00 0.00 H new ATOM 1405 N LEU A 93 -10.399 -6.251 4.212 1.00 0.00 N ATOM 1406 CA LEU A 93 -9.304 -6.128 5.218 1.00 0.00 C ATOM 1407 C LEU A 93 -9.842 -5.434 6.473 1.00 0.00 C ATOM 1408 O LEU A 93 -10.712 -4.589 6.398 1.00 0.00 O ATOM 1409 CB LEU A 93 -8.207 -5.297 4.527 1.00 0.00 C ATOM 1410 CG LEU A 93 -8.360 -3.808 4.858 1.00 0.00 C ATOM 1411 CD1 LEU A 93 -7.224 -3.021 4.206 1.00 0.00 C ATOM 1412 CD2 LEU A 93 -9.697 -3.298 4.322 1.00 0.00 C ATOM 0 H LEU A 93 -10.128 -6.056 3.248 1.00 0.00 H new ATOM 0 HA LEU A 93 -8.909 -7.092 5.539 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -7.225 -5.646 4.847 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -8.261 -5.441 3.448 1.00 0.00 H new ATOM 0 HG LEU A 93 -8.325 -3.675 5.939 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -7.333 -1.962 4.441 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -6.268 -3.381 4.586 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -7.260 -3.158 3.125 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -9.804 -2.239 4.558 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -9.731 -3.434 3.241 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -10.511 -3.857 4.784 1.00 0.00 H new ATOM 1424 N ASP A 94 -9.336 -5.778 7.620 1.00 0.00 N ATOM 1425 CA ASP A 94 -9.834 -5.122 8.864 1.00 0.00 C ATOM 1426 C ASP A 94 -8.756 -4.206 9.431 1.00 0.00 C ATOM 1427 O ASP A 94 -7.618 -4.596 9.597 1.00 0.00 O ATOM 1428 CB ASP A 94 -10.180 -6.250 9.844 1.00 0.00 C ATOM 1429 CG ASP A 94 -9.192 -7.408 9.700 1.00 0.00 C ATOM 1430 OD1 ASP A 94 -9.140 -7.988 8.628 1.00 0.00 O ATOM 1431 OD2 ASP A 94 -8.503 -7.696 10.666 1.00 0.00 O ATOM 0 H ASP A 94 -8.606 -6.478 7.754 1.00 0.00 H new ATOM 0 HA ASP A 94 -10.712 -4.504 8.673 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -10.158 -5.871 10.866 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -11.194 -6.604 9.657 1.00 0.00 H new ATOM 1436 N THR A 95 -9.099 -2.984 9.716 1.00 0.00 N ATOM 1437 CA THR A 95 -8.087 -2.040 10.255 1.00 0.00 C ATOM 1438 C THR A 95 -8.770 -0.777 10.762 1.00 0.00 C ATOM 1439 O THR A 95 -9.981 -0.684 10.802 1.00 0.00 O ATOM 1440 CB THR A 95 -7.200 -1.707 9.056 1.00 0.00 C ATOM 1441 OG1 THR A 95 -6.337 -0.629 9.381 1.00 0.00 O ATOM 1442 CG2 THR A 95 -8.078 -1.320 7.866 1.00 0.00 C ATOM 0 H THR A 95 -10.036 -2.598 9.599 1.00 0.00 H new ATOM 0 HA THR A 95 -7.525 -2.461 11.088 1.00 0.00 H new ATOM 0 HB THR A 95 -6.600 -2.580 8.798 1.00 0.00 H new ATOM 0 HG1 THR A 95 -5.411 -0.949 9.410 1.00 0.00 H new ATOM 0 HG21 THR A 95 -7.446 -1.082 7.010 1.00 0.00 H new ATOM 0 HG22 THR A 95 -8.735 -2.152 7.612 1.00 0.00 H new ATOM 0 HG23 THR A 95 -8.680 -0.449 8.126 1.00 0.00 H new ATOM 1450 N ARG A 96 -8.004 0.204 11.129 1.00 0.00 N ATOM 1451 CA ARG A 96 -8.611 1.469 11.607 1.00 0.00 C ATOM 1452 C ARG A 96 -8.960 2.343 10.405 1.00 0.00 C ATOM 1453 O ARG A 96 -9.280 3.506 10.544 1.00 0.00 O ATOM 1454 CB ARG A 96 -7.531 2.138 12.456 1.00 0.00 C ATOM 1455 CG ARG A 96 -6.960 1.124 13.447 1.00 0.00 C ATOM 1456 CD ARG A 96 -7.953 0.923 14.592 1.00 0.00 C ATOM 1457 NE ARG A 96 -7.208 0.138 15.613 1.00 0.00 N ATOM 1458 CZ ARG A 96 -7.781 -0.162 16.744 1.00 0.00 C ATOM 1459 NH1 ARG A 96 -8.837 -0.929 16.757 1.00 0.00 N ATOM 1460 NH2 ARG A 96 -7.302 0.307 17.863 1.00 0.00 N ATOM 0 H ARG A 96 -6.984 0.185 11.119 1.00 0.00 H new ATOM 0 HA ARG A 96 -9.525 1.307 12.178 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -6.737 2.523 11.816 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -7.950 2.990 12.992 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -6.769 0.175 12.945 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -6.005 1.477 13.836 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -8.289 1.878 14.996 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -8.842 0.390 14.255 1.00 0.00 H new ATOM 0 HE ARG A 96 -6.252 -0.164 15.428 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -9.213 -1.293 15.882 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -9.286 -1.164 17.642 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -6.479 0.909 17.853 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -7.751 0.072 18.748 1.00 0.00 H new ATOM 1474 N TYR A 97 -8.883 1.798 9.216 1.00 0.00 N ATOM 1475 CA TYR A 97 -9.194 2.623 8.015 1.00 0.00 C ATOM 1476 C TYR A 97 -10.671 2.496 7.612 1.00 0.00 C ATOM 1477 O TYR A 97 -11.269 3.471 7.210 1.00 0.00 O ATOM 1478 CB TYR A 97 -8.239 2.115 6.937 1.00 0.00 C ATOM 1479 CG TYR A 97 -6.918 2.813 7.139 1.00 0.00 C ATOM 1480 CD1 TYR A 97 -6.004 2.318 8.076 1.00 0.00 C ATOM 1481 CD2 TYR A 97 -6.618 3.971 6.412 1.00 0.00 C ATOM 1482 CE1 TYR A 97 -4.790 2.978 8.286 1.00 0.00 C ATOM 1483 CE2 TYR A 97 -5.402 4.629 6.620 1.00 0.00 C ATOM 1484 CZ TYR A 97 -4.488 4.134 7.557 1.00 0.00 C ATOM 1485 OH TYR A 97 -3.290 4.785 7.765 1.00 0.00 O ATOM 0 H TYR A 97 -8.622 0.830 9.029 1.00 0.00 H new ATOM 0 HA TYR A 97 -9.054 3.689 8.193 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -8.117 1.034 7.011 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -8.636 2.324 5.943 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -6.237 1.425 8.637 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -7.325 4.356 5.692 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -4.086 2.596 9.010 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -5.168 5.520 6.057 1.00 0.00 H new ATOM 0 HH TYR A 97 -2.548 4.175 7.570 1.00 0.00 H new ATOM 1495 N SER A 98 -11.259 1.316 7.747 1.00 0.00 N ATOM 1496 CA SER A 98 -12.718 1.096 7.412 1.00 0.00 C ATOM 1497 C SER A 98 -12.910 0.584 5.987 1.00 0.00 C ATOM 1498 O SER A 98 -13.610 1.195 5.206 1.00 0.00 O ATOM 1499 CB SER A 98 -13.435 2.441 7.558 1.00 0.00 C ATOM 1500 OG SER A 98 -12.984 3.088 8.741 1.00 0.00 O ATOM 0 H SER A 98 -10.778 0.481 8.082 1.00 0.00 H new ATOM 0 HA SER A 98 -13.123 0.342 8.087 1.00 0.00 H new ATOM 0 HB2 SER A 98 -13.237 3.068 6.689 1.00 0.00 H new ATOM 0 HB3 SER A 98 -14.513 2.288 7.602 1.00 0.00 H new ATOM 0 HG SER A 98 -12.405 3.841 8.501 1.00 0.00 H new ATOM 1506 N ASN A 99 -12.331 -0.539 5.643 1.00 0.00 N ATOM 1507 CA ASN A 99 -12.531 -1.077 4.262 1.00 0.00 C ATOM 1508 C ASN A 99 -12.509 0.073 3.259 1.00 0.00 C ATOM 1509 O ASN A 99 -13.314 0.161 2.353 1.00 0.00 O ATOM 1510 CB ASN A 99 -13.902 -1.733 4.328 1.00 0.00 C ATOM 1511 CG ASN A 99 -13.724 -3.190 4.740 1.00 0.00 C ATOM 1512 OD1 ASN A 99 -14.535 -4.034 4.416 1.00 0.00 O ATOM 1513 ND2 ASN A 99 -12.679 -3.518 5.448 1.00 0.00 N ATOM 0 H ASN A 99 -11.735 -1.101 6.250 1.00 0.00 H new ATOM 0 HA ASN A 99 -11.758 -1.777 3.944 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -14.537 -1.212 5.045 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -14.398 -1.672 3.359 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -12.540 -4.488 5.732 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -12.001 -2.805 5.717 1.00 0.00 H new ATOM 1520 N ILE A 100 -11.589 0.962 3.454 1.00 0.00 N ATOM 1521 CA ILE A 100 -11.466 2.156 2.566 1.00 0.00 C ATOM 1522 C ILE A 100 -11.032 1.717 1.150 1.00 0.00 C ATOM 1523 O ILE A 100 -11.265 0.582 0.787 1.00 0.00 O ATOM 1524 CB ILE A 100 -10.436 3.049 3.271 1.00 0.00 C ATOM 1525 CG1 ILE A 100 -9.014 2.561 2.969 1.00 0.00 C ATOM 1526 CG2 ILE A 100 -10.680 3.056 4.781 1.00 0.00 C ATOM 1527 CD1 ILE A 100 -8.670 1.299 3.771 1.00 0.00 C ATOM 0 H ILE A 100 -10.899 0.918 4.204 1.00 0.00 H new ATOM 0 HA ILE A 100 -12.401 2.696 2.418 1.00 0.00 H new ATOM 0 HB ILE A 100 -10.546 4.066 2.895 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -8.918 2.353 1.903 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -8.300 3.350 3.206 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -9.941 3.694 5.266 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -11.680 3.438 4.986 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -10.593 2.041 5.168 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -7.655 0.981 3.532 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -8.741 1.515 4.837 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -9.369 0.503 3.514 1.00 0.00 H new ATOM 1539 N PRO A 101 -10.449 2.606 0.360 1.00 0.00 N ATOM 1540 CA PRO A 101 -10.064 2.212 -1.020 1.00 0.00 C ATOM 1541 C PRO A 101 -8.993 1.125 -1.067 1.00 0.00 C ATOM 1542 O PRO A 101 -7.838 1.339 -0.753 1.00 0.00 O ATOM 1543 CB PRO A 101 -9.568 3.494 -1.649 1.00 0.00 C ATOM 1544 CG PRO A 101 -9.174 4.369 -0.517 1.00 0.00 C ATOM 1545 CD PRO A 101 -10.083 4.017 0.628 1.00 0.00 C ATOM 0 HA PRO A 101 -10.909 1.772 -1.549 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -8.722 3.304 -2.310 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -10.346 3.961 -2.253 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -8.130 4.209 -0.247 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -9.276 5.421 -0.785 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -9.579 4.125 1.588 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -10.962 4.661 0.655 1.00 0.00 H new ATOM 1553 N LEU A 102 -9.387 -0.030 -1.521 1.00 0.00 N ATOM 1554 CA LEU A 102 -8.441 -1.169 -1.685 1.00 0.00 C ATOM 1555 C LEU A 102 -8.205 -1.329 -3.182 1.00 0.00 C ATOM 1556 O LEU A 102 -8.976 -0.815 -3.968 1.00 0.00 O ATOM 1557 CB LEU A 102 -9.183 -2.382 -1.119 1.00 0.00 C ATOM 1558 CG LEU A 102 -10.588 -2.443 -1.731 1.00 0.00 C ATOM 1559 CD1 LEU A 102 -10.894 -3.869 -2.184 1.00 0.00 C ATOM 1560 CD2 LEU A 102 -11.623 -2.005 -0.689 1.00 0.00 C ATOM 0 H LEU A 102 -10.348 -0.238 -1.792 1.00 0.00 H new ATOM 0 HA LEU A 102 -7.481 -1.037 -1.185 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -8.635 -3.297 -1.345 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -9.249 -2.309 -0.033 1.00 0.00 H new ATOM 0 HG LEU A 102 -10.632 -1.775 -2.591 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -11.893 -3.906 -2.618 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -10.162 -4.179 -2.930 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -10.845 -4.541 -1.327 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -12.621 -2.049 -1.126 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -11.575 -2.670 0.173 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -11.411 -0.984 -0.372 1.00 0.00 H new ATOM 1572 N LEU A 103 -7.174 -1.994 -3.631 1.00 0.00 N ATOM 1573 CA LEU A 103 -7.042 -2.056 -5.123 1.00 0.00 C ATOM 1574 C LEU A 103 -6.111 -3.154 -5.650 1.00 0.00 C ATOM 1575 O LEU A 103 -5.609 -3.992 -4.930 1.00 0.00 O ATOM 1576 CB LEU A 103 -6.498 -0.683 -5.512 1.00 0.00 C ATOM 1577 CG LEU A 103 -5.038 -0.560 -5.072 1.00 0.00 C ATOM 1578 CD1 LEU A 103 -4.229 0.111 -6.183 1.00 0.00 C ATOM 1579 CD2 LEU A 103 -4.959 0.285 -3.798 1.00 0.00 C ATOM 0 H LEU A 103 -6.460 -2.468 -3.078 1.00 0.00 H new ATOM 0 HA LEU A 103 -8.009 -2.304 -5.561 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -6.575 -0.543 -6.590 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -7.095 0.100 -5.045 1.00 0.00 H new ATOM 0 HG LEU A 103 -4.631 -1.552 -4.874 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -3.188 0.200 -5.872 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -4.287 -0.491 -7.090 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -4.635 1.103 -6.380 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -3.919 0.373 -3.484 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -5.364 1.278 -3.994 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -5.538 -0.193 -3.008 1.00 0.00 H new ATOM 1591 N THR A 104 -5.907 -3.116 -6.944 1.00 0.00 N ATOM 1592 CA THR A 104 -5.038 -4.093 -7.654 1.00 0.00 C ATOM 1593 C THR A 104 -4.652 -3.500 -9.018 1.00 0.00 C ATOM 1594 O THR A 104 -4.396 -2.320 -9.136 1.00 0.00 O ATOM 1595 CB THR A 104 -5.910 -5.331 -7.844 1.00 0.00 C ATOM 1596 OG1 THR A 104 -6.911 -5.355 -6.837 1.00 0.00 O ATOM 1597 CG2 THR A 104 -5.044 -6.588 -7.749 1.00 0.00 C ATOM 0 H THR A 104 -6.327 -2.417 -7.557 1.00 0.00 H new ATOM 0 HA THR A 104 -4.122 -4.327 -7.112 1.00 0.00 H new ATOM 0 HB THR A 104 -6.384 -5.301 -8.825 1.00 0.00 H new ATOM 0 HG1 THR A 104 -6.547 -5.762 -6.023 1.00 0.00 H new ATOM 0 HG21 THR A 104 -5.668 -7.471 -7.885 1.00 0.00 H new ATOM 0 HG22 THR A 104 -4.279 -6.562 -8.525 1.00 0.00 H new ATOM 0 HG23 THR A 104 -4.567 -6.628 -6.770 1.00 0.00 H new ATOM 1605 N LYS A 105 -4.638 -4.301 -10.051 1.00 0.00 N ATOM 1606 CA LYS A 105 -4.300 -3.777 -11.415 1.00 0.00 C ATOM 1607 C LYS A 105 -3.074 -2.852 -11.368 1.00 0.00 C ATOM 1608 O LYS A 105 -2.458 -2.682 -10.334 1.00 0.00 O ATOM 1609 CB LYS A 105 -5.543 -2.995 -11.859 1.00 0.00 C ATOM 1610 CG LYS A 105 -6.810 -3.745 -11.445 1.00 0.00 C ATOM 1611 CD LYS A 105 -7.550 -2.942 -10.375 1.00 0.00 C ATOM 1612 CE LYS A 105 -8.960 -2.614 -10.868 1.00 0.00 C ATOM 1613 NZ LYS A 105 -9.718 -2.237 -9.643 1.00 0.00 N ATOM 0 H LYS A 105 -4.846 -5.299 -10.012 1.00 0.00 H new ATOM 0 HA LYS A 105 -4.048 -4.584 -12.104 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -5.536 -2.001 -11.411 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -5.529 -2.858 -12.940 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -7.454 -3.898 -12.311 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -6.552 -4.732 -11.061 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -7.601 -3.512 -9.447 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -7.007 -2.023 -10.155 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -8.946 -1.798 -11.590 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -9.414 -3.471 -11.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -10.697 -1.998 -9.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -9.720 -3.036 -8.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -9.267 -1.414 -9.195 1.00 0.00 H new ATOM 1627 N PRO A 106 -2.760 -2.287 -12.509 1.00 0.00 N ATOM 1628 CA PRO A 106 -1.607 -1.373 -12.629 1.00 0.00 C ATOM 1629 C PRO A 106 -2.028 0.081 -12.361 1.00 0.00 C ATOM 1630 O PRO A 106 -1.686 0.658 -11.348 1.00 0.00 O ATOM 1631 CB PRO A 106 -1.185 -1.550 -14.084 1.00 0.00 C ATOM 1632 CG PRO A 106 -2.414 -2.015 -14.814 1.00 0.00 C ATOM 1633 CD PRO A 106 -3.438 -2.454 -13.792 1.00 0.00 C ATOM 0 HA PRO A 106 -0.812 -1.588 -11.915 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -0.814 -0.613 -14.500 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -0.379 -2.279 -14.171 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -2.815 -1.211 -15.432 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -2.168 -2.840 -15.483 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -4.341 -1.846 -13.847 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -3.740 -3.489 -13.951 1.00 0.00 H new ATOM 1641 N PHE A 107 -2.759 0.679 -13.269 1.00 0.00 N ATOM 1642 CA PHE A 107 -3.191 2.097 -13.071 1.00 0.00 C ATOM 1643 C PHE A 107 -4.702 2.236 -13.287 1.00 0.00 C ATOM 1644 O PHE A 107 -5.442 1.276 -13.206 1.00 0.00 O ATOM 1645 CB PHE A 107 -2.430 2.890 -14.134 1.00 0.00 C ATOM 1646 CG PHE A 107 -1.292 3.643 -13.489 1.00 0.00 C ATOM 1647 CD1 PHE A 107 -1.529 4.873 -12.863 1.00 0.00 C ATOM 1648 CD2 PHE A 107 0.004 3.111 -13.516 1.00 0.00 C ATOM 1649 CE1 PHE A 107 -0.473 5.570 -12.266 1.00 0.00 C ATOM 1650 CE2 PHE A 107 1.059 3.808 -12.919 1.00 0.00 C ATOM 1651 CZ PHE A 107 0.821 5.037 -12.294 1.00 0.00 C ATOM 0 H PHE A 107 -3.075 0.247 -14.137 1.00 0.00 H new ATOM 0 HA PHE A 107 -2.983 2.450 -12.061 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -2.045 2.215 -14.899 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -3.103 3.587 -14.633 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -2.528 5.284 -12.841 1.00 0.00 H new ATOM 0 HD2 PHE A 107 0.188 2.162 -13.998 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -0.656 6.519 -11.784 1.00 0.00 H new ATOM 0 HE2 PHE A 107 2.058 3.398 -12.940 1.00 0.00 H new ATOM 0 HZ PHE A 107 1.636 5.575 -11.833 1.00 0.00 H new ATOM 1661 N LEU A 108 -5.165 3.429 -13.567 1.00 0.00 N ATOM 1662 CA LEU A 108 -6.626 3.633 -13.794 1.00 0.00 C ATOM 1663 C LEU A 108 -7.399 3.340 -12.497 1.00 0.00 C ATOM 1664 O LEU A 108 -6.957 3.717 -11.429 1.00 0.00 O ATOM 1665 CB LEU A 108 -6.971 2.656 -14.926 1.00 0.00 C ATOM 1666 CG LEU A 108 -7.292 3.457 -16.189 1.00 0.00 C ATOM 1667 CD1 LEU A 108 -7.584 2.501 -17.346 1.00 0.00 C ATOM 1668 CD2 LEU A 108 -8.516 4.342 -15.936 1.00 0.00 C ATOM 0 H LEU A 108 -4.593 4.270 -13.648 1.00 0.00 H new ATOM 0 HA LEU A 108 -6.892 4.654 -14.067 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -6.135 1.981 -15.110 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -7.824 2.038 -14.644 1.00 0.00 H new ATOM 0 HG LEU A 108 -6.437 4.083 -16.446 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -7.812 3.075 -18.244 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -6.712 1.874 -17.529 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -8.437 1.872 -17.092 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -8.745 4.913 -16.836 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -9.370 3.716 -15.676 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -8.306 5.028 -15.115 1.00 0.00 H new ATOM 1680 N ASP A 109 -8.547 2.696 -12.575 1.00 0.00 N ATOM 1681 CA ASP A 109 -9.342 2.391 -11.339 1.00 0.00 C ATOM 1682 C ASP A 109 -8.418 2.129 -10.146 1.00 0.00 C ATOM 1683 O ASP A 109 -8.748 2.404 -9.011 1.00 0.00 O ATOM 1684 CB ASP A 109 -10.128 1.128 -11.687 1.00 0.00 C ATOM 1685 CG ASP A 109 -11.174 1.458 -12.753 1.00 0.00 C ATOM 1686 OD1 ASP A 109 -11.909 2.412 -12.558 1.00 0.00 O ATOM 1687 OD2 ASP A 109 -11.221 0.751 -13.746 1.00 0.00 O ATOM 0 H ASP A 109 -8.966 2.369 -13.445 1.00 0.00 H new ATOM 0 HA ASP A 109 -9.988 3.221 -11.054 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -9.452 0.355 -12.052 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -10.614 0.732 -10.795 1.00 0.00 H new ATOM 1692 N SER A 110 -7.265 1.594 -10.409 1.00 0.00 N ATOM 1693 CA SER A 110 -6.287 1.288 -9.329 1.00 0.00 C ATOM 1694 C SER A 110 -5.986 2.498 -8.433 1.00 0.00 C ATOM 1695 O SER A 110 -6.283 2.500 -7.254 1.00 0.00 O ATOM 1696 CB SER A 110 -5.030 0.905 -10.091 1.00 0.00 C ATOM 1697 OG SER A 110 -4.269 -0.015 -9.323 1.00 0.00 O ATOM 0 H SER A 110 -6.949 1.349 -11.348 1.00 0.00 H new ATOM 0 HA SER A 110 -6.668 0.517 -8.660 1.00 0.00 H new ATOM 0 HB2 SER A 110 -5.295 0.461 -11.050 1.00 0.00 H new ATOM 0 HB3 SER A 110 -4.437 1.794 -10.304 1.00 0.00 H new ATOM 0 HG SER A 110 -4.542 -0.930 -9.544 1.00 0.00 H new ATOM 1703 N GLU A 111 -5.345 3.498 -8.971 1.00 0.00 N ATOM 1704 CA GLU A 111 -4.959 4.678 -8.146 1.00 0.00 C ATOM 1705 C GLU A 111 -6.159 5.545 -7.756 1.00 0.00 C ATOM 1706 O GLU A 111 -6.260 6.002 -6.630 1.00 0.00 O ATOM 1707 CB GLU A 111 -4.008 5.469 -9.040 1.00 0.00 C ATOM 1708 CG GLU A 111 -3.024 6.248 -8.169 1.00 0.00 C ATOM 1709 CD GLU A 111 -3.487 7.702 -8.058 1.00 0.00 C ATOM 1710 OE1 GLU A 111 -3.362 8.418 -9.038 1.00 0.00 O ATOM 1711 OE2 GLU A 111 -3.959 8.074 -6.997 1.00 0.00 O ATOM 0 H GLU A 111 -5.070 3.549 -9.952 1.00 0.00 H new ATOM 0 HA GLU A 111 -4.511 4.365 -7.203 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -3.468 4.793 -9.703 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -4.572 6.154 -9.673 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -2.962 5.798 -7.178 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -2.025 6.205 -8.602 1.00 0.00 H new ATOM 1718 N LEU A 112 -7.059 5.804 -8.660 1.00 0.00 N ATOM 1719 CA LEU A 112 -8.211 6.679 -8.283 1.00 0.00 C ATOM 1720 C LEU A 112 -8.930 6.116 -7.061 1.00 0.00 C ATOM 1721 O LEU A 112 -9.044 6.771 -6.045 1.00 0.00 O ATOM 1722 CB LEU A 112 -9.149 6.737 -9.486 1.00 0.00 C ATOM 1723 CG LEU A 112 -9.352 5.356 -10.093 1.00 0.00 C ATOM 1724 CD1 LEU A 112 -10.781 4.890 -9.800 1.00 0.00 C ATOM 1725 CD2 LEU A 112 -9.143 5.459 -11.606 1.00 0.00 C ATOM 0 H LEU A 112 -7.054 5.460 -9.620 1.00 0.00 H new ATOM 0 HA LEU A 112 -7.867 7.680 -8.022 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -10.111 7.148 -9.181 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -8.739 7.411 -10.238 1.00 0.00 H new ATOM 0 HG LEU A 112 -8.646 4.642 -9.669 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -10.937 3.901 -10.231 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -10.935 4.844 -8.722 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -11.490 5.592 -10.238 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -9.284 4.478 -12.060 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -9.864 6.161 -12.026 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -8.132 5.811 -11.810 1.00 0.00 H new ATOM 1737 N GLU A 113 -9.400 4.906 -7.138 1.00 0.00 N ATOM 1738 CA GLU A 113 -10.094 4.313 -5.963 1.00 0.00 C ATOM 1739 C GLU A 113 -9.200 4.419 -4.734 1.00 0.00 C ATOM 1740 O GLU A 113 -9.552 5.024 -3.745 1.00 0.00 O ATOM 1741 CB GLU A 113 -10.310 2.852 -6.341 1.00 0.00 C ATOM 1742 CG GLU A 113 -11.740 2.663 -6.851 1.00 0.00 C ATOM 1743 CD GLU A 113 -12.105 1.179 -6.811 1.00 0.00 C ATOM 1744 OE1 GLU A 113 -11.388 0.429 -6.169 1.00 0.00 O ATOM 1745 OE2 GLU A 113 -13.097 0.817 -7.422 1.00 0.00 O ATOM 0 H GLU A 113 -9.335 4.303 -7.958 1.00 0.00 H new ATOM 0 HA GLU A 113 -11.031 4.817 -5.726 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -9.596 2.555 -7.109 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -10.133 2.212 -5.477 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -12.435 3.236 -6.237 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -11.827 3.042 -7.869 1.00 0.00 H new ATOM 1752 N ALA A 114 -8.042 3.831 -4.799 1.00 0.00 N ATOM 1753 CA ALA A 114 -7.106 3.870 -3.642 1.00 0.00 C ATOM 1754 C ALA A 114 -7.057 5.257 -2.972 1.00 0.00 C ATOM 1755 O ALA A 114 -6.599 5.380 -1.854 1.00 0.00 O ATOM 1756 CB ALA A 114 -5.741 3.511 -4.230 1.00 0.00 C ATOM 0 H ALA A 114 -7.699 3.319 -5.612 1.00 0.00 H new ATOM 0 HA ALA A 114 -7.425 3.182 -2.859 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -4.991 3.517 -3.439 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -5.787 2.518 -4.678 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -5.470 4.241 -4.993 1.00 0.00 H new ATOM 1762 N VAL A 115 -7.474 6.310 -3.634 1.00 0.00 N ATOM 1763 CA VAL A 115 -7.371 7.656 -2.980 1.00 0.00 C ATOM 1764 C VAL A 115 -8.730 8.325 -2.664 1.00 0.00 C ATOM 1765 O VAL A 115 -8.840 9.044 -1.692 1.00 0.00 O ATOM 1766 CB VAL A 115 -6.596 8.506 -3.987 1.00 0.00 C ATOM 1767 CG1 VAL A 115 -6.141 9.806 -3.322 1.00 0.00 C ATOM 1768 CG2 VAL A 115 -5.370 7.729 -4.469 1.00 0.00 C ATOM 0 H VAL A 115 -7.871 6.301 -4.573 1.00 0.00 H new ATOM 0 HA VAL A 115 -6.890 7.557 -2.007 1.00 0.00 H new ATOM 0 HB VAL A 115 -7.241 8.739 -4.834 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -5.589 10.409 -4.043 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -7.012 10.362 -2.975 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -5.497 9.575 -2.474 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -4.816 8.333 -5.187 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -4.729 7.497 -3.619 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -5.691 6.802 -4.945 1.00 0.00 H new ATOM 1778 N LEU A 116 -9.742 8.170 -3.481 1.00 0.00 N ATOM 1779 CA LEU A 116 -11.027 8.897 -3.187 1.00 0.00 C ATOM 1780 C LEU A 116 -12.058 8.071 -2.390 1.00 0.00 C ATOM 1781 O LEU A 116 -12.942 8.633 -1.774 1.00 0.00 O ATOM 1782 CB LEU A 116 -11.564 9.323 -4.566 1.00 0.00 C ATOM 1783 CG LEU A 116 -12.606 8.333 -5.105 1.00 0.00 C ATOM 1784 CD1 LEU A 116 -13.457 9.036 -6.163 1.00 0.00 C ATOM 1785 CD2 LEU A 116 -11.896 7.141 -5.746 1.00 0.00 C ATOM 0 H LEU A 116 -9.742 7.589 -4.319 1.00 0.00 H new ATOM 0 HA LEU A 116 -10.840 9.746 -2.530 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -12.010 10.315 -4.491 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -10.736 9.398 -5.271 1.00 0.00 H new ATOM 0 HG LEU A 116 -13.237 7.984 -4.288 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -14.201 8.341 -6.552 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -13.960 9.893 -5.715 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -12.817 9.376 -6.977 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -12.637 6.439 -6.128 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -11.269 7.489 -6.567 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -11.275 6.644 -5.001 1.00 0.00 H new