USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 707 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 26 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 69 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 21 THR OG1 : rot 74:sc= -0.157 USER MOD Set 2.2: A 24 THR OG1 : rot 180:sc= -0.961 USER MOD Set 3.1: A 9 THR OG1 : rot 180:sc= -0.265 USER MOD Set 3.2: A 87 ASN : amide:sc= -4.89! C(o=-5.2!,f=-15!) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -0.0706 K(o=-0.071,f=-1.5!) USER MOD Single : A 14 HIS : no HD1:sc= -0.717 K(o=-0.72,f=-5.4!) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.0431 USER MOD Single : A 25 THR OG1 : rot 19:sc= 0.36 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 30:sc= -0.938 USER MOD Single : A 47 TYR OH : rot 180:sc= -0.139 USER MOD Single : A 48 CYS SG : rot 174:sc= -1.65 USER MOD Single : A 52 SER OG : rot 180:sc= 0.231 USER MOD Single : A 59 ASN : amide:sc= -1.84! C(o=-1.8!,f=-13!) USER MOD Single : A 60 LYS NZ :NH3+ -164:sc= -0.0149 (180deg=-0.237) USER MOD Single : A 66 CYS SG : rot 54:sc= -0.0753 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot -49:sc= 0.76 USER MOD Single : A 92 SER OG : rot -69:sc= 0.628 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.0891 USER MOD Single : A 99 GLN : amide:sc= -0.324 K(o=-0.32,f=-2.4!) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 80 N THR A 9 -0.240 10.899 0.622 1.00 0.00 N ATOM 81 CA THR A 9 -1.565 10.347 0.400 1.00 0.00 C ATOM 82 C THR A 9 -1.913 9.340 1.498 1.00 0.00 C ATOM 83 O THR A 9 -1.024 8.738 2.098 1.00 0.00 O ATOM 84 CB THR A 9 -1.598 9.747 -1.007 1.00 0.00 C ATOM 85 OG1 THR A 9 -0.361 9.047 -1.116 1.00 0.00 O ATOM 86 CG2 THR A 9 -1.520 10.814 -2.101 1.00 0.00 C ATOM 0 HA THR A 9 -2.331 11.121 0.457 1.00 0.00 H new ATOM 0 HB THR A 9 -2.512 9.166 -1.132 1.00 0.00 H new ATOM 0 HG1 THR A 9 -0.300 8.626 -1.999 1.00 0.00 H new ATOM 0 HG21 THR A 9 -1.547 10.335 -3.079 1.00 0.00 H new ATOM 0 HG22 THR A 9 -2.366 11.494 -2.007 1.00 0.00 H new ATOM 0 HG23 THR A 9 -0.591 11.374 -1.997 1.00 0.00 H new ATOM 94 N SER A 10 -3.209 9.187 1.728 1.00 0.00 N ATOM 95 CA SER A 10 -3.686 8.264 2.743 1.00 0.00 C ATOM 96 C SER A 10 -3.067 6.881 2.524 1.00 0.00 C ATOM 97 O SER A 10 -2.814 6.483 1.388 1.00 0.00 O ATOM 98 CB SER A 10 -5.213 8.170 2.729 1.00 0.00 C ATOM 99 OG SER A 10 -5.784 8.593 3.964 1.00 0.00 O ATOM 0 H SER A 10 -3.944 9.687 1.228 1.00 0.00 H new ATOM 0 HA SER A 10 -3.382 8.642 3.719 1.00 0.00 H new ATOM 0 HB2 SER A 10 -5.607 8.783 1.918 1.00 0.00 H new ATOM 0 HB3 SER A 10 -5.511 7.142 2.525 1.00 0.00 H new ATOM 0 HG SER A 10 -6.760 8.520 3.915 1.00 0.00 H new ATOM 105 N ALA A 11 -2.842 6.187 3.630 1.00 0.00 N ATOM 106 CA ALA A 11 -2.258 4.858 3.574 1.00 0.00 C ATOM 107 C ALA A 11 -3.201 3.923 2.813 1.00 0.00 C ATOM 108 O ALA A 11 -4.382 4.226 2.650 1.00 0.00 O ATOM 109 CB ALA A 11 -1.970 4.366 4.994 1.00 0.00 C ATOM 0 H ALA A 11 -3.054 6.520 4.570 1.00 0.00 H new ATOM 0 HA ALA A 11 -1.309 4.878 3.038 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -1.532 3.369 4.952 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.273 5.048 5.481 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -2.900 4.330 5.562 1.00 0.00 H new ATOM 115 N PRO A 12 -2.629 2.777 2.356 1.00 0.00 N ATOM 116 CA PRO A 12 -3.405 1.797 1.616 1.00 0.00 C ATOM 117 C PRO A 12 -4.324 1.007 2.551 1.00 0.00 C ATOM 118 O PRO A 12 -4.049 0.889 3.744 1.00 0.00 O ATOM 119 CB PRO A 12 -2.375 0.924 0.919 1.00 0.00 C ATOM 120 CG PRO A 12 -1.066 1.153 1.658 1.00 0.00 C ATOM 121 CD PRO A 12 -1.233 2.386 2.531 1.00 0.00 C ATOM 0 HA PRO A 12 -4.077 2.254 0.889 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -2.665 -0.126 0.954 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -2.282 1.194 -0.133 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -0.815 0.285 2.268 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -0.248 1.294 0.951 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -1.011 2.165 3.575 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -0.557 3.184 2.224 1.00 0.00 H new ATOM 129 N GLN A 13 -5.396 0.486 1.973 1.00 0.00 N ATOM 130 CA GLN A 13 -6.357 -0.290 2.739 1.00 0.00 C ATOM 131 C GLN A 13 -6.944 -1.409 1.876 1.00 0.00 C ATOM 132 O GLN A 13 -6.856 -1.364 0.650 1.00 0.00 O ATOM 133 CB GLN A 13 -7.462 0.606 3.301 1.00 0.00 C ATOM 134 CG GLN A 13 -7.700 1.816 2.395 1.00 0.00 C ATOM 135 CD GLN A 13 -9.118 2.364 2.575 1.00 0.00 C ATOM 136 OE1 GLN A 13 -9.885 1.912 3.409 1.00 0.00 O ATOM 137 NE2 GLN A 13 -9.420 3.362 1.749 1.00 0.00 N ATOM 0 H GLN A 13 -5.621 0.586 0.983 1.00 0.00 H new ATOM 0 HA GLN A 13 -5.838 -0.743 3.583 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -8.384 0.034 3.399 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -7.188 0.944 4.301 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -6.973 2.595 2.624 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -7.545 1.532 1.354 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -8.730 3.692 1.074 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -10.341 3.797 1.791 1.00 0.00 H new ATOM 146 N HIS A 14 -7.531 -2.386 2.551 1.00 0.00 N ATOM 147 CA HIS A 14 -8.133 -3.515 1.861 1.00 0.00 C ATOM 148 C HIS A 14 -7.045 -4.324 1.154 1.00 0.00 C ATOM 149 O HIS A 14 -7.233 -4.769 0.023 1.00 0.00 O ATOM 150 CB HIS A 14 -9.236 -3.045 0.910 1.00 0.00 C ATOM 151 CG HIS A 14 -10.524 -2.667 1.602 1.00 0.00 C ATOM 152 ND1 HIS A 14 -11.565 -3.559 1.788 1.00 0.00 N ATOM 153 CD2 HIS A 14 -10.927 -1.485 2.150 1.00 0.00 C ATOM 154 CE1 HIS A 14 -12.546 -2.932 2.420 1.00 0.00 C ATOM 155 NE2 HIS A 14 -12.149 -1.646 2.643 1.00 0.00 N ATOM 0 H HIS A 14 -7.603 -2.420 3.568 1.00 0.00 H new ATOM 0 HA HIS A 14 -8.614 -4.174 2.584 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -8.873 -2.186 0.346 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -9.442 -3.836 0.189 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -10.350 -0.573 2.178 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -13.493 -3.363 2.708 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -12.700 -0.927 3.111 1.00 0.00 H new ATOM 163 N LEU A 15 -5.929 -4.490 1.849 1.00 0.00 N ATOM 164 CA LEU A 15 -4.810 -5.238 1.301 1.00 0.00 C ATOM 165 C LEU A 15 -4.901 -6.694 1.763 1.00 0.00 C ATOM 166 O LEU A 15 -4.766 -6.982 2.951 1.00 0.00 O ATOM 167 CB LEU A 15 -3.486 -4.560 1.660 1.00 0.00 C ATOM 168 CG LEU A 15 -2.217 -5.330 1.290 1.00 0.00 C ATOM 169 CD1 LEU A 15 -1.876 -5.146 -0.190 1.00 0.00 C ATOM 170 CD2 LEU A 15 -1.052 -4.937 2.200 1.00 0.00 C ATOM 0 H LEU A 15 -5.776 -4.119 2.787 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.853 -5.246 0.212 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.454 -3.588 1.169 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.475 -4.375 2.734 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.404 -6.392 1.448 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.970 -5.704 -0.427 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.699 -5.515 -0.802 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.716 -4.088 -0.398 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.162 -5.499 1.915 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.855 -3.870 2.098 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.307 -5.162 3.236 1.00 0.00 H new ATOM 182 N THR A 16 -5.129 -7.573 0.799 1.00 0.00 N ATOM 183 CA THR A 16 -5.240 -8.992 1.091 1.00 0.00 C ATOM 184 C THR A 16 -4.485 -9.813 0.044 1.00 0.00 C ATOM 185 O THR A 16 -3.981 -9.264 -0.935 1.00 0.00 O ATOM 186 CB THR A 16 -6.726 -9.342 1.182 1.00 0.00 C ATOM 187 OG1 THR A 16 -7.329 -8.567 0.149 1.00 0.00 O ATOM 188 CG2 THR A 16 -7.374 -8.820 2.466 1.00 0.00 C ATOM 0 H THR A 16 -5.240 -7.330 -0.185 1.00 0.00 H new ATOM 0 HA THR A 16 -4.775 -9.236 2.046 1.00 0.00 H new ATOM 0 HB THR A 16 -6.847 -10.424 1.129 1.00 0.00 H new ATOM 0 HG1 THR A 16 -8.294 -8.735 0.136 1.00 0.00 H new ATOM 0 HG21 THR A 16 -8.428 -9.096 2.480 1.00 0.00 H new ATOM 0 HG22 THR A 16 -6.873 -9.257 3.330 1.00 0.00 H new ATOM 0 HG23 THR A 16 -7.283 -7.735 2.504 1.00 0.00 H new ATOM 196 N VAL A 17 -4.431 -11.115 0.285 1.00 0.00 N ATOM 197 CA VAL A 17 -3.746 -12.017 -0.626 1.00 0.00 C ATOM 198 C VAL A 17 -4.775 -12.702 -1.527 1.00 0.00 C ATOM 199 O VAL A 17 -5.507 -13.584 -1.081 1.00 0.00 O ATOM 200 CB VAL A 17 -2.889 -13.007 0.165 1.00 0.00 C ATOM 201 CG1 VAL A 17 -2.428 -14.164 -0.724 1.00 0.00 C ATOM 202 CG2 VAL A 17 -1.695 -12.304 0.813 1.00 0.00 C ATOM 0 H VAL A 17 -4.850 -11.567 1.098 1.00 0.00 H new ATOM 0 HA VAL A 17 -3.065 -11.464 -1.273 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.506 -13.422 0.962 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.821 -14.854 -0.138 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -3.298 -14.690 -1.116 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -1.836 -13.773 -1.552 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -1.103 -13.031 1.369 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.077 -11.848 0.039 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.053 -11.531 1.493 1.00 0.00 H new ATOM 212 N GLU A 18 -4.798 -12.271 -2.780 1.00 0.00 N ATOM 213 CA GLU A 18 -5.724 -12.832 -3.748 1.00 0.00 C ATOM 214 C GLU A 18 -5.351 -14.283 -4.061 1.00 0.00 C ATOM 215 O GLU A 18 -6.196 -15.174 -3.990 1.00 0.00 O ATOM 216 CB GLU A 18 -5.763 -11.988 -5.023 1.00 0.00 C ATOM 217 CG GLU A 18 -6.275 -10.577 -4.731 1.00 0.00 C ATOM 218 CD GLU A 18 -7.692 -10.616 -4.156 1.00 0.00 C ATOM 219 OE1 GLU A 18 -8.467 -11.484 -4.612 1.00 0.00 O ATOM 220 OE2 GLU A 18 -7.969 -9.776 -3.272 1.00 0.00 O ATOM 0 H GLU A 18 -4.189 -11.539 -3.147 1.00 0.00 H new ATOM 0 HA GLU A 18 -6.724 -12.820 -3.314 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -4.765 -11.934 -5.458 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -6.407 -12.467 -5.761 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -5.606 -10.082 -4.027 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -6.267 -9.986 -5.647 1.00 0.00 H new ATOM 227 N ASP A 19 -4.085 -14.474 -4.401 1.00 0.00 N ATOM 228 CA ASP A 19 -3.589 -15.801 -4.726 1.00 0.00 C ATOM 229 C ASP A 19 -2.169 -15.958 -4.179 1.00 0.00 C ATOM 230 O ASP A 19 -1.535 -14.975 -3.797 1.00 0.00 O ATOM 231 CB ASP A 19 -3.540 -16.016 -6.240 1.00 0.00 C ATOM 232 CG ASP A 19 -3.516 -17.479 -6.685 1.00 0.00 C ATOM 233 OD1 ASP A 19 -3.877 -18.333 -5.847 1.00 0.00 O ATOM 234 OD2 ASP A 19 -3.137 -17.711 -7.853 1.00 0.00 O ATOM 0 H ASP A 19 -3.387 -13.732 -4.459 1.00 0.00 H new ATOM 0 HA ASP A 19 -4.264 -16.532 -4.281 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -4.406 -15.530 -6.689 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -2.654 -15.518 -6.634 1.00 0.00 H new ATOM 239 N VAL A 20 -1.710 -17.201 -4.160 1.00 0.00 N ATOM 240 CA VAL A 20 -0.377 -17.499 -3.667 1.00 0.00 C ATOM 241 C VAL A 20 0.252 -18.589 -4.537 1.00 0.00 C ATOM 242 O VAL A 20 -0.338 -19.651 -4.731 1.00 0.00 O ATOM 243 CB VAL A 20 -0.439 -17.877 -2.186 1.00 0.00 C ATOM 244 CG1 VAL A 20 0.851 -18.573 -1.743 1.00 0.00 C ATOM 245 CG2 VAL A 20 -0.726 -16.651 -1.317 1.00 0.00 C ATOM 0 H VAL A 20 -2.238 -18.013 -4.478 1.00 0.00 H new ATOM 0 HA VAL A 20 0.262 -16.619 -3.737 1.00 0.00 H new ATOM 0 HB VAL A 20 -1.262 -18.580 -2.055 1.00 0.00 H new ATOM 0 HG11 VAL A 20 0.781 -18.831 -0.686 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.995 -19.481 -2.329 1.00 0.00 H new ATOM 0 HG13 VAL A 20 1.697 -17.903 -1.897 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.765 -16.949 -0.269 1.00 0.00 H new ATOM 0 HG22 VAL A 20 0.065 -15.914 -1.456 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.683 -16.216 -1.606 1.00 0.00 H new ATOM 255 N THR A 21 1.442 -18.289 -5.037 1.00 0.00 N ATOM 256 CA THR A 21 2.157 -19.230 -5.882 1.00 0.00 C ATOM 257 C THR A 21 3.256 -19.935 -5.084 1.00 0.00 C ATOM 258 O THR A 21 3.242 -19.920 -3.854 1.00 0.00 O ATOM 259 CB THR A 21 2.684 -18.468 -7.099 1.00 0.00 C ATOM 260 OG1 THR A 21 1.864 -17.304 -7.162 1.00 0.00 O ATOM 261 CG2 THR A 21 2.400 -19.195 -8.414 1.00 0.00 C ATOM 0 H THR A 21 1.929 -17.408 -4.873 1.00 0.00 H new ATOM 0 HA THR A 21 1.498 -20.022 -6.237 1.00 0.00 H new ATOM 0 HB THR A 21 3.758 -18.316 -6.994 1.00 0.00 H new ATOM 0 HG1 THR A 21 2.119 -16.685 -6.447 1.00 0.00 H new ATOM 0 HG21 THR A 21 2.795 -18.611 -9.245 1.00 0.00 H new ATOM 0 HG22 THR A 21 2.878 -20.174 -8.399 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.324 -19.319 -8.536 1.00 0.00 H new ATOM 269 N ASP A 22 4.182 -20.536 -5.816 1.00 0.00 N ATOM 270 CA ASP A 22 5.286 -21.245 -5.192 1.00 0.00 C ATOM 271 C ASP A 22 6.397 -20.251 -4.851 1.00 0.00 C ATOM 272 O ASP A 22 6.824 -20.162 -3.701 1.00 0.00 O ATOM 273 CB ASP A 22 5.868 -22.300 -6.136 1.00 0.00 C ATOM 274 CG ASP A 22 4.834 -23.080 -6.949 1.00 0.00 C ATOM 275 OD1 ASP A 22 4.309 -22.489 -7.917 1.00 0.00 O ATOM 276 OD2 ASP A 22 4.591 -24.251 -6.585 1.00 0.00 O ATOM 0 H ASP A 22 4.191 -20.547 -6.836 1.00 0.00 H new ATOM 0 HA ASP A 22 4.908 -21.734 -4.294 1.00 0.00 H new ATOM 0 HB2 ASP A 22 6.555 -21.810 -6.825 1.00 0.00 H new ATOM 0 HB3 ASP A 22 6.455 -23.007 -5.549 1.00 0.00 H new ATOM 281 N THR A 23 6.835 -19.528 -5.872 1.00 0.00 N ATOM 282 CA THR A 23 7.888 -18.544 -5.695 1.00 0.00 C ATOM 283 C THR A 23 7.356 -17.137 -5.974 1.00 0.00 C ATOM 284 O THR A 23 8.132 -16.192 -6.112 1.00 0.00 O ATOM 285 CB THR A 23 9.061 -18.940 -6.594 1.00 0.00 C ATOM 286 OG1 THR A 23 8.440 -19.428 -7.780 1.00 0.00 O ATOM 287 CG2 THR A 23 9.833 -20.145 -6.053 1.00 0.00 C ATOM 0 H THR A 23 6.479 -19.605 -6.825 1.00 0.00 H new ATOM 0 HA THR A 23 8.242 -18.525 -4.664 1.00 0.00 H new ATOM 0 HB THR A 23 9.739 -18.093 -6.700 1.00 0.00 H new ATOM 0 HG1 THR A 23 9.129 -19.705 -8.420 1.00 0.00 H new ATOM 0 HG21 THR A 23 10.654 -20.384 -6.729 1.00 0.00 H new ATOM 0 HG22 THR A 23 10.232 -19.909 -5.066 1.00 0.00 H new ATOM 0 HG23 THR A 23 9.164 -21.002 -5.978 1.00 0.00 H new ATOM 295 N THR A 24 6.037 -17.042 -6.050 1.00 0.00 N ATOM 296 CA THR A 24 5.392 -15.767 -6.310 1.00 0.00 C ATOM 297 C THR A 24 4.050 -15.688 -5.579 1.00 0.00 C ATOM 298 O THR A 24 3.468 -16.714 -5.231 1.00 0.00 O ATOM 299 CB THR A 24 5.269 -15.600 -7.826 1.00 0.00 C ATOM 300 OG1 THR A 24 4.931 -16.904 -8.292 1.00 0.00 O ATOM 301 CG2 THR A 24 6.613 -15.302 -8.494 1.00 0.00 C ATOM 0 H THR A 24 5.397 -17.828 -5.936 1.00 0.00 H new ATOM 0 HA THR A 24 5.985 -14.938 -5.924 1.00 0.00 H new ATOM 0 HB THR A 24 4.568 -14.795 -8.047 1.00 0.00 H new ATOM 0 HG1 THR A 24 4.830 -16.887 -9.267 1.00 0.00 H new ATOM 0 HG21 THR A 24 6.469 -15.193 -9.569 1.00 0.00 H new ATOM 0 HG22 THR A 24 7.025 -14.378 -8.087 1.00 0.00 H new ATOM 0 HG23 THR A 24 7.304 -16.122 -8.302 1.00 0.00 H new ATOM 309 N THR A 25 3.598 -14.461 -5.369 1.00 0.00 N ATOM 310 CA THR A 25 2.336 -14.235 -4.686 1.00 0.00 C ATOM 311 C THR A 25 1.618 -13.021 -5.279 1.00 0.00 C ATOM 312 O THR A 25 2.249 -12.159 -5.888 1.00 0.00 O ATOM 313 CB THR A 25 2.626 -14.098 -3.190 1.00 0.00 C ATOM 314 OG1 THR A 25 2.624 -15.440 -2.711 1.00 0.00 O ATOM 315 CG2 THR A 25 1.478 -13.430 -2.430 1.00 0.00 C ATOM 0 H THR A 25 4.083 -13.612 -5.660 1.00 0.00 H new ATOM 0 HA THR A 25 1.656 -15.075 -4.825 1.00 0.00 H new ATOM 0 HB THR A 25 3.540 -13.521 -3.049 1.00 0.00 H new ATOM 0 HG1 THR A 25 2.747 -16.056 -3.463 1.00 0.00 H new ATOM 0 HG21 THR A 25 1.735 -13.357 -1.373 1.00 0.00 H new ATOM 0 HG22 THR A 25 1.308 -12.431 -2.832 1.00 0.00 H new ATOM 0 HG23 THR A 25 0.572 -14.025 -2.543 1.00 0.00 H new ATOM 323 N THR A 26 0.308 -12.993 -5.081 1.00 0.00 N ATOM 324 CA THR A 26 -0.503 -11.900 -5.588 1.00 0.00 C ATOM 325 C THR A 26 -1.056 -11.065 -4.432 1.00 0.00 C ATOM 326 O THR A 26 -1.367 -11.599 -3.369 1.00 0.00 O ATOM 327 CB THR A 26 -1.591 -12.495 -6.484 1.00 0.00 C ATOM 328 OG1 THR A 26 -0.867 -13.186 -7.498 1.00 0.00 O ATOM 329 CG2 THR A 26 -2.371 -11.423 -7.248 1.00 0.00 C ATOM 0 H THR A 26 -0.212 -13.711 -4.576 1.00 0.00 H new ATOM 0 HA THR A 26 0.092 -11.211 -6.188 1.00 0.00 H new ATOM 0 HB THR A 26 -2.280 -13.082 -5.877 1.00 0.00 H new ATOM 0 HG1 THR A 26 -1.496 -13.604 -8.122 1.00 0.00 H new ATOM 0 HG21 THR A 26 -3.130 -11.899 -7.869 1.00 0.00 H new ATOM 0 HG22 THR A 26 -2.852 -10.748 -6.539 1.00 0.00 H new ATOM 0 HG23 THR A 26 -1.687 -10.857 -7.881 1.00 0.00 H new ATOM 337 N LEU A 27 -1.163 -9.767 -4.680 1.00 0.00 N ATOM 338 CA LEU A 27 -1.674 -8.853 -3.672 1.00 0.00 C ATOM 339 C LEU A 27 -2.696 -7.913 -4.314 1.00 0.00 C ATOM 340 O LEU A 27 -2.655 -7.677 -5.521 1.00 0.00 O ATOM 341 CB LEU A 27 -0.522 -8.126 -2.976 1.00 0.00 C ATOM 342 CG LEU A 27 0.425 -9.002 -2.154 1.00 0.00 C ATOM 343 CD1 LEU A 27 1.789 -8.329 -1.989 1.00 0.00 C ATOM 344 CD2 LEU A 27 -0.199 -9.370 -0.806 1.00 0.00 C ATOM 0 H LEU A 27 -0.905 -9.327 -5.563 1.00 0.00 H new ATOM 0 HA LEU A 27 -2.194 -9.402 -2.887 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.063 -7.605 -3.734 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.943 -7.365 -2.319 1.00 0.00 H new ATOM 0 HG LEU A 27 0.588 -9.932 -2.698 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.443 -8.972 -1.401 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.232 -8.160 -2.970 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.664 -7.374 -1.478 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.495 -9.993 -0.242 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.411 -8.461 -0.243 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.126 -9.918 -0.972 1.00 0.00 H new ATOM 356 N LYS A 28 -3.589 -7.403 -3.479 1.00 0.00 N ATOM 357 CA LYS A 28 -4.621 -6.494 -3.951 1.00 0.00 C ATOM 358 C LYS A 28 -5.016 -5.546 -2.817 1.00 0.00 C ATOM 359 O LYS A 28 -5.471 -5.989 -1.763 1.00 0.00 O ATOM 360 CB LYS A 28 -5.798 -7.277 -4.537 1.00 0.00 C ATOM 361 CG LYS A 28 -6.400 -6.544 -5.737 1.00 0.00 C ATOM 362 CD LYS A 28 -7.896 -6.839 -5.865 1.00 0.00 C ATOM 363 CE LYS A 28 -8.558 -5.889 -6.865 1.00 0.00 C ATOM 364 NZ LYS A 28 -10.021 -5.843 -6.645 1.00 0.00 N ATOM 0 H LYS A 28 -3.620 -7.601 -2.479 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.242 -5.877 -4.766 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.464 -8.269 -4.842 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -6.562 -7.419 -3.772 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.245 -5.471 -5.627 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -5.886 -6.848 -6.649 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -8.041 -7.870 -6.187 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -8.375 -6.739 -4.891 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -8.137 -4.889 -6.760 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -8.347 -6.218 -7.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -10.455 -5.194 -7.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -10.421 -6.795 -6.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -10.217 -5.508 -5.680 1.00 0.00 H new ATOM 378 N TRP A 29 -4.828 -4.260 -3.071 1.00 0.00 N ATOM 379 CA TRP A 29 -5.159 -3.245 -2.084 1.00 0.00 C ATOM 380 C TRP A 29 -6.122 -2.250 -2.735 1.00 0.00 C ATOM 381 O TRP A 29 -6.529 -2.433 -3.881 1.00 0.00 O ATOM 382 CB TRP A 29 -3.895 -2.582 -1.534 1.00 0.00 C ATOM 383 CG TRP A 29 -3.127 -1.753 -2.565 1.00 0.00 C ATOM 384 CD1 TRP A 29 -3.462 -0.563 -3.082 1.00 0.00 C ATOM 385 CD2 TRP A 29 -1.874 -2.104 -3.188 1.00 0.00 C ATOM 386 NE1 TRP A 29 -2.520 -0.122 -3.989 1.00 0.00 N ATOM 387 CE2 TRP A 29 -1.523 -1.089 -4.055 1.00 0.00 C ATOM 388 CE3 TRP A 29 -1.062 -3.240 -3.025 1.00 0.00 C ATOM 389 CZ2 TRP A 29 -0.355 -1.109 -4.827 1.00 0.00 C ATOM 390 CZ3 TRP A 29 0.102 -3.245 -3.803 1.00 0.00 C ATOM 391 CH2 TRP A 29 0.469 -2.231 -4.680 1.00 0.00 C ATOM 0 H TRP A 29 -4.451 -3.897 -3.946 1.00 0.00 H new ATOM 0 HA TRP A 29 -5.651 -3.692 -1.220 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -4.169 -1.939 -0.698 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -3.235 -3.354 -1.139 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -4.357 -0.017 -2.822 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -2.550 0.752 -4.514 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -1.316 -4.046 -2.352 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -0.103 -0.302 -5.500 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 0.761 -4.096 -3.716 1.00 0.00 H new ATOM 0 HH2 TRP A 29 1.386 -2.308 -5.246 1.00 0.00 H new ATOM 402 N ARG A 30 -6.458 -1.218 -1.975 1.00 0.00 N ATOM 403 CA ARG A 30 -7.365 -0.193 -2.463 1.00 0.00 C ATOM 404 C ARG A 30 -6.713 1.188 -2.355 1.00 0.00 C ATOM 405 O ARG A 30 -5.824 1.396 -1.531 1.00 0.00 O ATOM 406 CB ARG A 30 -8.674 -0.194 -1.672 1.00 0.00 C ATOM 407 CG ARG A 30 -9.619 -1.286 -2.178 1.00 0.00 C ATOM 408 CD ARG A 30 -11.052 -0.762 -2.291 1.00 0.00 C ATOM 409 NE ARG A 30 -11.714 -0.809 -0.968 1.00 0.00 N ATOM 410 CZ ARG A 30 -12.896 -0.239 -0.699 1.00 0.00 C ATOM 411 NH1 ARG A 30 -13.554 0.425 -1.660 1.00 0.00 N ATOM 412 NH2 ARG A 30 -13.421 -0.332 0.530 1.00 0.00 N ATOM 0 H ARG A 30 -6.118 -1.070 -1.025 1.00 0.00 H new ATOM 0 HA ARG A 30 -7.585 -0.415 -3.507 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -8.464 -0.351 -0.614 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -9.157 0.779 -1.760 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -9.281 -1.643 -3.151 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -9.592 -2.138 -1.499 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -11.045 0.261 -2.667 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -11.612 -1.362 -3.008 1.00 0.00 H new ATOM 0 HE ARG A 30 -11.241 -1.307 -0.214 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -13.155 0.496 -2.596 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -14.454 0.859 -1.455 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -12.921 -0.837 1.261 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -14.321 0.102 0.734 1.00 0.00 H new ATOM 426 N PRO A 31 -7.193 2.119 -3.223 1.00 0.00 N ATOM 427 CA PRO A 31 -6.667 3.473 -3.233 1.00 0.00 C ATOM 428 C PRO A 31 -7.185 4.272 -2.035 1.00 0.00 C ATOM 429 O PRO A 31 -8.217 3.932 -1.458 1.00 0.00 O ATOM 430 CB PRO A 31 -7.104 4.055 -4.568 1.00 0.00 C ATOM 431 CG PRO A 31 -8.244 3.175 -5.053 1.00 0.00 C ATOM 432 CD PRO A 31 -8.245 1.908 -4.213 1.00 0.00 C ATOM 0 HA PRO A 31 -5.582 3.503 -3.136 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -7.430 5.089 -4.455 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -6.280 4.056 -5.282 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -9.196 3.697 -4.958 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -8.117 2.933 -6.108 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -9.212 1.750 -3.736 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -8.043 1.028 -4.824 1.00 0.00 H new ATOM 440 N PRO A 32 -6.425 5.345 -1.688 1.00 0.00 N ATOM 441 CA PRO A 32 -6.797 6.194 -0.569 1.00 0.00 C ATOM 442 C PRO A 32 -7.973 7.102 -0.936 1.00 0.00 C ATOM 443 O PRO A 32 -8.404 7.130 -2.088 1.00 0.00 O ATOM 444 CB PRO A 32 -5.534 6.968 -0.226 1.00 0.00 C ATOM 445 CG PRO A 32 -4.639 6.869 -1.451 1.00 0.00 C ATOM 446 CD PRO A 32 -5.197 5.777 -2.349 1.00 0.00 C ATOM 0 HA PRO A 32 -7.147 5.625 0.292 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -5.764 8.008 0.007 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -5.043 6.546 0.651 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -4.610 7.821 -1.981 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -3.615 6.636 -1.158 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -5.398 6.154 -3.352 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -4.492 4.952 -2.454 1.00 0.00 H new ATOM 454 N ASP A 33 -8.459 7.821 0.065 1.00 0.00 N ATOM 455 CA ASP A 33 -9.577 8.727 -0.139 1.00 0.00 C ATOM 456 C ASP A 33 -9.068 10.170 -0.119 1.00 0.00 C ATOM 457 O ASP A 33 -9.650 11.045 -0.758 1.00 0.00 O ATOM 458 CB ASP A 33 -10.617 8.577 0.974 1.00 0.00 C ATOM 459 CG ASP A 33 -12.055 8.898 0.562 1.00 0.00 C ATOM 460 OD1 ASP A 33 -12.703 7.985 0.007 1.00 0.00 O ATOM 461 OD2 ASP A 33 -12.473 10.049 0.811 1.00 0.00 O ATOM 0 H ASP A 33 -8.099 7.795 1.019 1.00 0.00 H new ATOM 0 HA ASP A 33 -10.037 8.486 -1.097 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -10.582 7.554 1.348 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -10.338 9.229 1.802 1.00 0.00 H new ATOM 466 N ARG A 34 -7.988 10.373 0.620 1.00 0.00 N ATOM 467 CA ARG A 34 -7.395 11.694 0.731 1.00 0.00 C ATOM 468 C ARG A 34 -6.172 11.806 -0.182 1.00 0.00 C ATOM 469 O ARG A 34 -5.060 12.039 0.288 1.00 0.00 O ATOM 470 CB ARG A 34 -6.974 11.990 2.172 1.00 0.00 C ATOM 471 CG ARG A 34 -7.248 13.451 2.534 1.00 0.00 C ATOM 472 CD ARG A 34 -7.217 13.656 4.050 1.00 0.00 C ATOM 473 NE ARG A 34 -7.142 15.100 4.365 1.00 0.00 N ATOM 474 CZ ARG A 34 -7.222 15.603 5.604 1.00 0.00 C ATOM 475 NH1 ARG A 34 -7.379 14.783 6.652 1.00 0.00 N ATOM 476 NH2 ARG A 34 -7.145 16.928 5.795 1.00 0.00 N ATOM 0 H ARG A 34 -7.508 9.644 1.148 1.00 0.00 H new ATOM 0 HA ARG A 34 -8.148 12.421 0.427 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -7.515 11.335 2.855 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -5.913 11.774 2.296 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -6.504 14.092 2.062 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -8.221 13.750 2.143 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -8.109 13.223 4.502 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -6.359 13.137 4.478 1.00 0.00 H new ATOM 0 HE ARG A 34 -7.022 15.753 3.591 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -7.438 13.775 6.507 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -7.440 15.167 7.595 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -7.026 17.552 4.997 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -7.206 17.312 6.738 1.00 0.00 H new ATOM 559 N ASP A 41 1.651 8.509 -6.632 1.00 0.00 N ATOM 560 CA ASP A 41 2.619 8.055 -7.616 1.00 0.00 C ATOM 561 C ASP A 41 2.499 6.539 -7.781 1.00 0.00 C ATOM 562 O ASP A 41 2.625 6.019 -8.888 1.00 0.00 O ATOM 563 CB ASP A 41 4.047 8.371 -7.170 1.00 0.00 C ATOM 564 CG ASP A 41 4.897 9.116 -8.201 1.00 0.00 C ATOM 565 OD1 ASP A 41 4.286 9.745 -9.092 1.00 0.00 O ATOM 566 OD2 ASP A 41 6.139 9.041 -8.074 1.00 0.00 O ATOM 0 HA ASP A 41 2.413 8.569 -8.555 1.00 0.00 H new ATOM 0 HB2 ASP A 41 4.003 8.967 -6.259 1.00 0.00 H new ATOM 0 HB3 ASP A 41 4.547 7.437 -6.916 1.00 0.00 H new ATOM 571 N GLY A 42 2.257 5.872 -6.662 1.00 0.00 N ATOM 572 CA GLY A 42 2.120 4.425 -6.668 1.00 0.00 C ATOM 573 C GLY A 42 2.227 3.858 -5.251 1.00 0.00 C ATOM 574 O GLY A 42 1.826 4.507 -4.287 1.00 0.00 O ATOM 0 H GLY A 42 2.152 6.307 -5.745 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.159 4.149 -7.102 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.893 3.986 -7.299 1.00 0.00 H new ATOM 578 N TYR A 43 2.771 2.652 -5.170 1.00 0.00 N ATOM 579 CA TYR A 43 2.936 1.990 -3.888 1.00 0.00 C ATOM 580 C TYR A 43 4.200 1.128 -3.874 1.00 0.00 C ATOM 581 O TYR A 43 4.542 0.506 -4.879 1.00 0.00 O ATOM 582 CB TYR A 43 1.714 1.086 -3.719 1.00 0.00 C ATOM 583 CG TYR A 43 0.488 1.797 -3.144 1.00 0.00 C ATOM 584 CD1 TYR A 43 0.406 2.044 -1.788 1.00 0.00 C ATOM 585 CD2 TYR A 43 -0.537 2.192 -3.980 1.00 0.00 C ATOM 586 CE1 TYR A 43 -0.748 2.713 -1.246 1.00 0.00 C ATOM 587 CE2 TYR A 43 -1.691 2.861 -3.438 1.00 0.00 C ATOM 588 CZ TYR A 43 -1.739 3.089 -2.098 1.00 0.00 C ATOM 589 OH TYR A 43 -2.829 3.722 -1.586 1.00 0.00 O ATOM 0 H TYR A 43 3.103 2.117 -5.972 1.00 0.00 H new ATOM 0 HA TYR A 43 3.027 2.723 -3.087 1.00 0.00 H new ATOM 0 HB2 TYR A 43 1.453 0.660 -4.688 1.00 0.00 H new ATOM 0 HB3 TYR A 43 1.978 0.254 -3.066 1.00 0.00 H new ATOM 0 HD1 TYR A 43 1.208 1.735 -1.134 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -0.473 1.999 -5.041 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -0.825 2.912 -0.187 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -2.500 3.175 -4.081 1.00 0.00 H new ATOM 0 HH TYR A 43 -2.568 4.231 -0.791 1.00 0.00 H new ATOM 599 N LEU A 44 4.859 1.118 -2.725 1.00 0.00 N ATOM 600 CA LEU A 44 6.078 0.343 -2.568 1.00 0.00 C ATOM 601 C LEU A 44 5.770 -0.927 -1.772 1.00 0.00 C ATOM 602 O LEU A 44 5.331 -0.853 -0.625 1.00 0.00 O ATOM 603 CB LEU A 44 7.184 1.202 -1.953 1.00 0.00 C ATOM 604 CG LEU A 44 8.034 2.007 -2.938 1.00 0.00 C ATOM 605 CD1 LEU A 44 9.138 2.775 -2.208 1.00 0.00 C ATOM 606 CD2 LEU A 44 8.595 1.108 -4.041 1.00 0.00 C ATOM 0 H LEU A 44 4.572 1.634 -1.894 1.00 0.00 H new ATOM 0 HA LEU A 44 6.457 0.027 -3.540 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.728 1.895 -1.246 1.00 0.00 H new ATOM 0 HB3 LEU A 44 7.845 0.552 -1.380 1.00 0.00 H new ATOM 0 HG LEU A 44 7.392 2.745 -3.420 1.00 0.00 H new ATOM 0 HD11 LEU A 44 9.728 3.339 -2.931 1.00 0.00 H new ATOM 0 HD12 LEU A 44 8.690 3.462 -1.490 1.00 0.00 H new ATOM 0 HD13 LEU A 44 9.784 2.072 -1.682 1.00 0.00 H new ATOM 0 HD21 LEU A 44 9.195 1.705 -4.727 1.00 0.00 H new ATOM 0 HD22 LEU A 44 9.217 0.332 -3.596 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.773 0.645 -4.587 1.00 0.00 H new ATOM 618 N VAL A 45 6.012 -2.062 -2.411 1.00 0.00 N ATOM 619 CA VAL A 45 5.766 -3.345 -1.777 1.00 0.00 C ATOM 620 C VAL A 45 7.073 -3.874 -1.181 1.00 0.00 C ATOM 621 O VAL A 45 8.120 -3.815 -1.823 1.00 0.00 O ATOM 622 CB VAL A 45 5.132 -4.312 -2.779 1.00 0.00 C ATOM 623 CG1 VAL A 45 4.700 -5.609 -2.092 1.00 0.00 C ATOM 624 CG2 VAL A 45 3.955 -3.656 -3.503 1.00 0.00 C ATOM 0 H VAL A 45 6.376 -2.119 -3.362 1.00 0.00 H new ATOM 0 HA VAL A 45 5.056 -3.235 -0.958 1.00 0.00 H new ATOM 0 HB VAL A 45 5.886 -4.564 -3.525 1.00 0.00 H new ATOM 0 HG11 VAL A 45 4.253 -6.278 -2.827 1.00 0.00 H new ATOM 0 HG12 VAL A 45 5.569 -6.091 -1.644 1.00 0.00 H new ATOM 0 HG13 VAL A 45 3.970 -5.383 -1.315 1.00 0.00 H new ATOM 0 HG21 VAL A 45 3.522 -4.364 -4.209 1.00 0.00 H new ATOM 0 HG22 VAL A 45 3.199 -3.361 -2.775 1.00 0.00 H new ATOM 0 HG23 VAL A 45 4.304 -2.775 -4.041 1.00 0.00 H new ATOM 634 N GLU A 46 6.968 -4.378 0.040 1.00 0.00 N ATOM 635 CA GLU A 46 8.128 -4.917 0.729 1.00 0.00 C ATOM 636 C GLU A 46 7.712 -6.061 1.656 1.00 0.00 C ATOM 637 O GLU A 46 6.650 -6.007 2.275 1.00 0.00 O ATOM 638 CB GLU A 46 8.862 -3.821 1.505 1.00 0.00 C ATOM 639 CG GLU A 46 8.904 -2.517 0.706 1.00 0.00 C ATOM 640 CD GLU A 46 9.492 -1.380 1.544 1.00 0.00 C ATOM 641 OE1 GLU A 46 10.402 -1.678 2.347 1.00 0.00 O ATOM 642 OE2 GLU A 46 9.017 -0.238 1.363 1.00 0.00 O ATOM 0 H GLU A 46 6.098 -4.424 0.570 1.00 0.00 H new ATOM 0 HA GLU A 46 8.817 -5.313 -0.016 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.364 -3.651 2.460 1.00 0.00 H new ATOM 0 HB3 GLU A 46 9.878 -4.147 1.729 1.00 0.00 H new ATOM 0 HG2 GLU A 46 9.502 -2.657 -0.194 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.898 -2.252 0.382 1.00 0.00 H new ATOM 649 N TYR A 47 8.569 -7.069 1.722 1.00 0.00 N ATOM 650 CA TYR A 47 8.304 -8.223 2.562 1.00 0.00 C ATOM 651 C TYR A 47 9.447 -8.456 3.551 1.00 0.00 C ATOM 652 O TYR A 47 10.606 -8.184 3.241 1.00 0.00 O ATOM 653 CB TYR A 47 8.212 -9.422 1.616 1.00 0.00 C ATOM 654 CG TYR A 47 9.499 -9.700 0.837 1.00 0.00 C ATOM 655 CD1 TYR A 47 9.825 -8.925 -0.258 1.00 0.00 C ATOM 656 CD2 TYR A 47 10.335 -10.725 1.230 1.00 0.00 C ATOM 657 CE1 TYR A 47 11.036 -9.186 -0.990 1.00 0.00 C ATOM 658 CE2 TYR A 47 11.547 -10.987 0.497 1.00 0.00 C ATOM 659 CZ TYR A 47 11.838 -10.204 -0.577 1.00 0.00 C ATOM 660 OH TYR A 47 12.982 -10.451 -1.269 1.00 0.00 O ATOM 0 H TYR A 47 9.448 -7.110 1.207 1.00 0.00 H new ATOM 0 HA TYR A 47 7.391 -8.075 3.139 1.00 0.00 H new ATOM 0 HB2 TYR A 47 7.951 -10.308 2.194 1.00 0.00 H new ATOM 0 HB3 TYR A 47 7.401 -9.252 0.908 1.00 0.00 H new ATOM 0 HD1 TYR A 47 9.171 -8.122 -0.565 1.00 0.00 H new ATOM 0 HD2 TYR A 47 10.081 -11.331 2.087 1.00 0.00 H new ATOM 0 HE1 TYR A 47 11.302 -8.587 -1.848 1.00 0.00 H new ATOM 0 HE2 TYR A 47 12.210 -11.787 0.793 1.00 0.00 H new ATOM 0 HH TYR A 47 13.455 -11.205 -0.860 1.00 0.00 H new ATOM 670 N CYS A 48 9.082 -8.958 4.722 1.00 0.00 N ATOM 671 CA CYS A 48 10.063 -9.230 5.759 1.00 0.00 C ATOM 672 C CYS A 48 9.956 -10.707 6.145 1.00 0.00 C ATOM 673 O CYS A 48 8.923 -11.147 6.647 1.00 0.00 O ATOM 674 CB CYS A 48 9.880 -8.310 6.967 1.00 0.00 C ATOM 675 SG CYS A 48 10.890 -8.909 8.370 1.00 0.00 S ATOM 0 H CYS A 48 8.120 -9.183 4.975 1.00 0.00 H new ATOM 0 HA CYS A 48 11.064 -9.026 5.379 1.00 0.00 H new ATOM 0 HB2 CYS A 48 10.172 -7.292 6.707 1.00 0.00 H new ATOM 0 HB3 CYS A 48 8.829 -8.277 7.253 1.00 0.00 H new ATOM 0 HG CYS A 48 10.830 -8.052 9.345 1.00 0.00 H new ATOM 681 N LEU A 49 11.037 -11.431 5.896 1.00 0.00 N ATOM 682 CA LEU A 49 11.078 -12.848 6.212 1.00 0.00 C ATOM 683 C LEU A 49 10.969 -13.033 7.727 1.00 0.00 C ATOM 684 O LEU A 49 11.579 -12.287 8.491 1.00 0.00 O ATOM 685 CB LEU A 49 12.321 -13.498 5.601 1.00 0.00 C ATOM 686 CG LEU A 49 12.350 -13.585 4.073 1.00 0.00 C ATOM 687 CD1 LEU A 49 13.687 -13.086 3.521 1.00 0.00 C ATOM 688 CD2 LEU A 49 12.027 -15.003 3.599 1.00 0.00 C ATOM 0 H LEU A 49 11.892 -11.062 5.479 1.00 0.00 H new ATOM 0 HA LEU A 49 10.226 -13.362 5.766 1.00 0.00 H new ATOM 0 HB2 LEU A 49 13.198 -12.940 5.930 1.00 0.00 H new ATOM 0 HB3 LEU A 49 12.415 -14.506 6.004 1.00 0.00 H new ATOM 0 HG LEU A 49 11.574 -12.929 3.678 1.00 0.00 H new ATOM 0 HD11 LEU A 49 13.681 -13.158 2.433 1.00 0.00 H new ATOM 0 HD12 LEU A 49 13.837 -12.047 3.815 1.00 0.00 H new ATOM 0 HD13 LEU A 49 14.496 -13.697 3.921 1.00 0.00 H new ATOM 0 HD21 LEU A 49 12.054 -15.038 2.510 1.00 0.00 H new ATOM 0 HD22 LEU A 49 12.763 -15.698 4.003 1.00 0.00 H new ATOM 0 HD23 LEU A 49 11.033 -15.285 3.946 1.00 0.00 H new ATOM 700 N GLU A 50 10.188 -14.030 8.115 1.00 0.00 N ATOM 701 CA GLU A 50 9.992 -14.321 9.525 1.00 0.00 C ATOM 702 C GLU A 50 11.342 -14.477 10.228 1.00 0.00 C ATOM 703 O GLU A 50 12.187 -15.258 9.792 1.00 0.00 O ATOM 704 CB GLU A 50 9.130 -15.571 9.711 1.00 0.00 C ATOM 705 CG GLU A 50 9.023 -15.948 11.190 1.00 0.00 C ATOM 706 CD GLU A 50 7.999 -15.065 11.908 1.00 0.00 C ATOM 707 OE1 GLU A 50 8.281 -13.854 12.031 1.00 0.00 O ATOM 708 OE2 GLU A 50 6.958 -15.622 12.318 1.00 0.00 O ATOM 0 H GLU A 50 9.684 -14.646 7.478 1.00 0.00 H new ATOM 0 HA GLU A 50 9.463 -13.483 9.979 1.00 0.00 H new ATOM 0 HB2 GLU A 50 8.134 -15.394 9.304 1.00 0.00 H new ATOM 0 HB3 GLU A 50 9.561 -16.401 9.151 1.00 0.00 H new ATOM 0 HG2 GLU A 50 8.734 -16.995 11.282 1.00 0.00 H new ATOM 0 HG3 GLU A 50 9.997 -15.843 11.667 1.00 0.00 H new ATOM 715 N GLY A 51 11.504 -13.721 11.303 1.00 0.00 N ATOM 716 CA GLY A 51 12.737 -13.764 12.071 1.00 0.00 C ATOM 717 C GLY A 51 13.645 -12.585 11.717 1.00 0.00 C ATOM 718 O GLY A 51 14.457 -12.155 12.535 1.00 0.00 O ATOM 0 H GLY A 51 10.801 -13.074 11.661 1.00 0.00 H new ATOM 0 HA2 GLY A 51 12.507 -13.743 13.136 1.00 0.00 H new ATOM 0 HA3 GLY A 51 13.259 -14.701 11.876 1.00 0.00 H new ATOM 722 N SER A 52 13.477 -12.095 10.497 1.00 0.00 N ATOM 723 CA SER A 52 14.272 -10.974 10.025 1.00 0.00 C ATOM 724 C SER A 52 13.642 -9.657 10.483 1.00 0.00 C ATOM 725 O SER A 52 12.425 -9.565 10.632 1.00 0.00 O ATOM 726 CB SER A 52 14.405 -10.996 8.501 1.00 0.00 C ATOM 727 OG SER A 52 15.049 -9.826 8.005 1.00 0.00 O ATOM 0 H SER A 52 12.802 -12.454 9.822 1.00 0.00 H new ATOM 0 HA SER A 52 15.271 -11.060 10.451 1.00 0.00 H new ATOM 0 HB2 SER A 52 14.971 -11.877 8.199 1.00 0.00 H new ATOM 0 HB3 SER A 52 13.416 -11.083 8.052 1.00 0.00 H new ATOM 0 HG SER A 52 15.116 -9.879 7.029 1.00 0.00 H new ATOM 733 N GLU A 53 14.500 -8.670 10.695 1.00 0.00 N ATOM 734 CA GLU A 53 14.044 -7.362 11.133 1.00 0.00 C ATOM 735 C GLU A 53 14.230 -6.333 10.017 1.00 0.00 C ATOM 736 O GLU A 53 14.121 -5.130 10.251 1.00 0.00 O ATOM 737 CB GLU A 53 14.769 -6.926 12.408 1.00 0.00 C ATOM 738 CG GLU A 53 13.861 -7.067 13.631 1.00 0.00 C ATOM 739 CD GLU A 53 12.540 -6.324 13.422 1.00 0.00 C ATOM 740 OE1 GLU A 53 12.612 -5.127 13.069 1.00 0.00 O ATOM 741 OE2 GLU A 53 11.489 -6.971 13.619 1.00 0.00 O ATOM 0 H GLU A 53 15.509 -8.750 10.571 1.00 0.00 H new ATOM 0 HA GLU A 53 12.981 -7.429 11.364 1.00 0.00 H new ATOM 0 HB2 GLU A 53 15.666 -7.530 12.545 1.00 0.00 H new ATOM 0 HB3 GLU A 53 15.094 -5.890 12.310 1.00 0.00 H new ATOM 0 HG2 GLU A 53 13.663 -8.122 13.822 1.00 0.00 H new ATOM 0 HG3 GLU A 53 14.368 -6.674 14.512 1.00 0.00 H new ATOM 748 N GLU A 54 14.510 -6.843 8.826 1.00 0.00 N ATOM 749 CA GLU A 54 14.713 -5.983 7.673 1.00 0.00 C ATOM 750 C GLU A 54 13.683 -6.299 6.586 1.00 0.00 C ATOM 751 O GLU A 54 13.607 -7.430 6.109 1.00 0.00 O ATOM 752 CB GLU A 54 16.138 -6.117 7.133 1.00 0.00 C ATOM 753 CG GLU A 54 16.326 -5.281 5.865 1.00 0.00 C ATOM 754 CD GLU A 54 17.537 -4.356 5.993 1.00 0.00 C ATOM 755 OE1 GLU A 54 17.595 -3.634 7.011 1.00 0.00 O ATOM 756 OE2 GLU A 54 18.378 -4.391 5.069 1.00 0.00 O ATOM 0 H GLU A 54 14.601 -7.841 8.635 1.00 0.00 H new ATOM 0 HA GLU A 54 14.574 -4.949 7.988 1.00 0.00 H new ATOM 0 HB2 GLU A 54 16.850 -5.796 7.893 1.00 0.00 H new ATOM 0 HB3 GLU A 54 16.352 -7.164 6.917 1.00 0.00 H new ATOM 0 HG2 GLU A 54 16.456 -5.940 5.007 1.00 0.00 H new ATOM 0 HG3 GLU A 54 15.430 -4.689 5.679 1.00 0.00 H new ATOM 763 N TRP A 55 12.916 -5.280 6.228 1.00 0.00 N ATOM 764 CA TRP A 55 11.894 -5.435 5.207 1.00 0.00 C ATOM 765 C TRP A 55 12.566 -5.296 3.840 1.00 0.00 C ATOM 766 O TRP A 55 13.102 -4.239 3.513 1.00 0.00 O ATOM 767 CB TRP A 55 10.753 -4.437 5.417 1.00 0.00 C ATOM 768 CG TRP A 55 9.858 -4.758 6.616 1.00 0.00 C ATOM 769 CD1 TRP A 55 10.074 -4.471 7.907 1.00 0.00 C ATOM 770 CD2 TRP A 55 8.588 -5.443 6.582 1.00 0.00 C ATOM 771 NE1 TRP A 55 9.040 -4.919 8.704 1.00 0.00 N ATOM 772 CE2 TRP A 55 8.108 -5.528 7.873 1.00 0.00 C ATOM 773 CE3 TRP A 55 7.869 -5.972 5.496 1.00 0.00 C ATOM 774 CZ2 TRP A 55 6.891 -6.137 8.199 1.00 0.00 C ATOM 775 CZ3 TRP A 55 6.654 -6.578 5.839 1.00 0.00 C ATOM 776 CH2 TRP A 55 6.157 -6.672 7.134 1.00 0.00 C ATOM 0 H TRP A 55 12.982 -4.344 6.627 1.00 0.00 H new ATOM 0 HA TRP A 55 11.433 -6.421 5.269 1.00 0.00 H new ATOM 0 HB2 TRP A 55 11.175 -3.441 5.548 1.00 0.00 H new ATOM 0 HB3 TRP A 55 10.140 -4.407 4.516 1.00 0.00 H new ATOM 0 HD1 TRP A 55 10.947 -3.954 8.277 1.00 0.00 H new ATOM 0 HE1 TRP A 55 8.973 -4.821 9.717 1.00 0.00 H new ATOM 0 HE3 TRP A 55 8.225 -5.916 4.478 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 6.537 -6.191 9.218 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 6.062 -7.002 5.042 1.00 0.00 H new ATOM 0 HH2 TRP A 55 5.209 -7.156 7.317 1.00 0.00 H new ATOM 787 N VAL A 56 12.515 -6.379 3.078 1.00 0.00 N ATOM 788 CA VAL A 56 13.112 -6.391 1.754 1.00 0.00 C ATOM 789 C VAL A 56 12.121 -5.804 0.747 1.00 0.00 C ATOM 790 O VAL A 56 10.919 -6.049 0.838 1.00 0.00 O ATOM 791 CB VAL A 56 13.560 -7.810 1.395 1.00 0.00 C ATOM 792 CG1 VAL A 56 14.215 -7.844 0.012 1.00 0.00 C ATOM 793 CG2 VAL A 56 14.501 -8.374 2.461 1.00 0.00 C ATOM 0 H VAL A 56 12.069 -7.254 3.353 1.00 0.00 H new ATOM 0 HA VAL A 56 14.005 -5.767 1.732 1.00 0.00 H new ATOM 0 HB VAL A 56 12.673 -8.443 1.362 1.00 0.00 H new ATOM 0 HG11 VAL A 56 14.524 -8.863 -0.219 1.00 0.00 H new ATOM 0 HG12 VAL A 56 13.501 -7.503 -0.737 1.00 0.00 H new ATOM 0 HG13 VAL A 56 15.087 -7.190 0.006 1.00 0.00 H new ATOM 0 HG21 VAL A 56 14.804 -9.383 2.182 1.00 0.00 H new ATOM 0 HG22 VAL A 56 15.383 -7.739 2.540 1.00 0.00 H new ATOM 0 HG23 VAL A 56 13.987 -8.403 3.422 1.00 0.00 H new ATOM 803 N PRO A 57 12.676 -5.020 -0.216 1.00 0.00 N ATOM 804 CA PRO A 57 11.855 -4.396 -1.239 1.00 0.00 C ATOM 805 C PRO A 57 11.407 -5.421 -2.283 1.00 0.00 C ATOM 806 O PRO A 57 12.238 -6.073 -2.914 1.00 0.00 O ATOM 807 CB PRO A 57 12.723 -3.294 -1.823 1.00 0.00 C ATOM 808 CG PRO A 57 14.152 -3.638 -1.433 1.00 0.00 C ATOM 809 CD PRO A 57 14.096 -4.708 -0.355 1.00 0.00 C ATOM 0 HA PRO A 57 10.928 -3.985 -0.841 1.00 0.00 H new ATOM 0 HB2 PRO A 57 12.615 -3.245 -2.907 1.00 0.00 H new ATOM 0 HB3 PRO A 57 12.434 -2.319 -1.429 1.00 0.00 H new ATOM 0 HG2 PRO A 57 14.708 -3.997 -2.299 1.00 0.00 H new ATOM 0 HG3 PRO A 57 14.671 -2.753 -1.066 1.00 0.00 H new ATOM 0 HD2 PRO A 57 14.669 -5.590 -0.642 1.00 0.00 H new ATOM 0 HD3 PRO A 57 14.516 -4.347 0.584 1.00 0.00 H new ATOM 817 N ALA A 58 10.096 -5.532 -2.433 1.00 0.00 N ATOM 818 CA ALA A 58 9.528 -6.466 -3.390 1.00 0.00 C ATOM 819 C ALA A 58 9.620 -5.869 -4.796 1.00 0.00 C ATOM 820 O ALA A 58 9.991 -6.559 -5.744 1.00 0.00 O ATOM 821 CB ALA A 58 8.088 -6.796 -2.989 1.00 0.00 C ATOM 0 H ALA A 58 9.410 -4.990 -1.907 1.00 0.00 H new ATOM 0 HA ALA A 58 10.088 -7.401 -3.392 1.00 0.00 H new ATOM 0 HB1 ALA A 58 7.662 -7.497 -3.707 1.00 0.00 H new ATOM 0 HB2 ALA A 58 8.081 -7.245 -1.996 1.00 0.00 H new ATOM 0 HB3 ALA A 58 7.495 -5.882 -2.978 1.00 0.00 H new ATOM 827 N ASN A 59 9.276 -4.593 -4.886 1.00 0.00 N ATOM 828 CA ASN A 59 9.315 -3.895 -6.159 1.00 0.00 C ATOM 829 C ASN A 59 10.262 -2.699 -6.052 1.00 0.00 C ATOM 830 O ASN A 59 10.189 -1.928 -5.096 1.00 0.00 O ATOM 831 CB ASN A 59 7.930 -3.369 -6.542 1.00 0.00 C ATOM 832 CG ASN A 59 7.377 -2.442 -5.458 1.00 0.00 C ATOM 833 OD1 ASN A 59 7.871 -2.384 -4.344 1.00 0.00 O ATOM 834 ND2 ASN A 59 6.327 -1.723 -5.845 1.00 0.00 N ATOM 0 H ASN A 59 8.969 -4.024 -4.097 1.00 0.00 H new ATOM 0 HA ASN A 59 9.656 -4.599 -6.918 1.00 0.00 H new ATOM 0 HB2 ASN A 59 7.990 -2.832 -7.489 1.00 0.00 H new ATOM 0 HB3 ASN A 59 7.248 -4.206 -6.693 1.00 0.00 H new ATOM 0 HD21 ASN A 59 5.885 -1.074 -5.194 1.00 0.00 H new ATOM 0 HD22 ASN A 59 5.964 -1.820 -6.793 1.00 0.00 H new ATOM 841 N LYS A 60 11.131 -2.581 -7.046 1.00 0.00 N ATOM 842 CA LYS A 60 12.091 -1.491 -7.075 1.00 0.00 C ATOM 843 C LYS A 60 11.344 -0.160 -7.176 1.00 0.00 C ATOM 844 O LYS A 60 11.623 0.772 -6.423 1.00 0.00 O ATOM 845 CB LYS A 60 13.114 -1.708 -8.191 1.00 0.00 C ATOM 846 CG LYS A 60 14.290 -2.555 -7.701 1.00 0.00 C ATOM 847 CD LYS A 60 15.620 -1.997 -8.213 1.00 0.00 C ATOM 848 CE LYS A 60 16.802 -2.758 -7.612 1.00 0.00 C ATOM 849 NZ LYS A 60 16.924 -2.468 -6.165 1.00 0.00 N ATOM 0 H LYS A 60 11.190 -3.222 -7.837 1.00 0.00 H new ATOM 0 HA LYS A 60 12.665 -1.465 -6.149 1.00 0.00 H new ATOM 0 HB2 LYS A 60 12.635 -2.200 -9.037 1.00 0.00 H new ATOM 0 HB3 LYS A 60 13.479 -0.745 -8.547 1.00 0.00 H new ATOM 0 HG2 LYS A 60 14.297 -2.578 -6.611 1.00 0.00 H new ATOM 0 HG3 LYS A 60 14.168 -3.584 -8.041 1.00 0.00 H new ATOM 0 HD2 LYS A 60 15.653 -2.067 -9.300 1.00 0.00 H new ATOM 0 HD3 LYS A 60 15.697 -0.940 -7.959 1.00 0.00 H new ATOM 0 HE2 LYS A 60 16.668 -3.829 -7.764 1.00 0.00 H new ATOM 0 HE3 LYS A 60 17.722 -2.476 -8.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 17.864 -2.761 -5.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 16.802 -1.448 -6.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 16.192 -2.991 -5.643 1.00 0.00 H new ATOM 863 N GLU A 61 10.407 -0.114 -8.112 1.00 0.00 N ATOM 864 CA GLU A 61 9.617 1.088 -8.322 1.00 0.00 C ATOM 865 C GLU A 61 8.171 0.855 -7.882 1.00 0.00 C ATOM 866 O GLU A 61 7.713 -0.285 -7.819 1.00 0.00 O ATOM 867 CB GLU A 61 9.681 1.538 -9.783 1.00 0.00 C ATOM 868 CG GLU A 61 11.127 1.770 -10.223 1.00 0.00 C ATOM 869 CD GLU A 61 11.318 1.403 -11.696 1.00 0.00 C ATOM 870 OE1 GLU A 61 10.423 1.763 -12.491 1.00 0.00 O ATOM 871 OE2 GLU A 61 12.354 0.770 -11.993 1.00 0.00 O ATOM 0 H GLU A 61 10.177 -0.889 -8.733 1.00 0.00 H new ATOM 0 HA GLU A 61 10.037 1.888 -7.712 1.00 0.00 H new ATOM 0 HB2 GLU A 61 9.220 0.783 -10.420 1.00 0.00 H new ATOM 0 HB3 GLU A 61 9.107 2.456 -9.910 1.00 0.00 H new ATOM 0 HG2 GLU A 61 11.395 2.815 -10.067 1.00 0.00 H new ATOM 0 HG3 GLU A 61 11.799 1.173 -9.606 1.00 0.00 H new ATOM 878 N PRO A 62 7.473 1.983 -7.581 1.00 0.00 N ATOM 879 CA PRO A 62 6.087 1.913 -7.149 1.00 0.00 C ATOM 880 C PRO A 62 5.160 1.612 -8.328 1.00 0.00 C ATOM 881 O PRO A 62 5.272 2.231 -9.384 1.00 0.00 O ATOM 882 CB PRO A 62 5.808 3.260 -6.502 1.00 0.00 C ATOM 883 CG PRO A 62 6.893 4.197 -7.007 1.00 0.00 C ATOM 884 CD PRO A 62 7.982 3.349 -7.644 1.00 0.00 C ATOM 0 HA PRO A 62 5.907 1.102 -6.443 1.00 0.00 H new ATOM 0 HB2 PRO A 62 4.818 3.626 -6.774 1.00 0.00 H new ATOM 0 HB3 PRO A 62 5.832 3.184 -5.415 1.00 0.00 H new ATOM 0 HG2 PRO A 62 6.483 4.900 -7.732 1.00 0.00 H new ATOM 0 HG3 PRO A 62 7.300 4.787 -6.186 1.00 0.00 H new ATOM 0 HD2 PRO A 62 8.170 3.654 -8.673 1.00 0.00 H new ATOM 0 HD3 PRO A 62 8.925 3.445 -7.105 1.00 0.00 H new ATOM 892 N VAL A 63 4.264 0.661 -8.107 1.00 0.00 N ATOM 893 CA VAL A 63 3.317 0.270 -9.138 1.00 0.00 C ATOM 894 C VAL A 63 2.149 1.258 -9.152 1.00 0.00 C ATOM 895 O VAL A 63 1.887 1.929 -8.155 1.00 0.00 O ATOM 896 CB VAL A 63 2.873 -1.177 -8.919 1.00 0.00 C ATOM 897 CG1 VAL A 63 4.079 -2.097 -8.718 1.00 0.00 C ATOM 898 CG2 VAL A 63 1.903 -1.281 -7.740 1.00 0.00 C ATOM 0 H VAL A 63 4.174 0.150 -7.229 1.00 0.00 H new ATOM 0 HA VAL A 63 3.786 0.307 -10.121 1.00 0.00 H new ATOM 0 HB VAL A 63 2.347 -1.504 -9.816 1.00 0.00 H new ATOM 0 HG11 VAL A 63 3.735 -3.120 -8.564 1.00 0.00 H new ATOM 0 HG12 VAL A 63 4.718 -2.058 -9.600 1.00 0.00 H new ATOM 0 HG13 VAL A 63 4.645 -1.770 -7.846 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.603 -2.320 -7.606 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.393 -0.925 -6.834 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.021 -0.672 -7.939 1.00 0.00 H new ATOM 908 N GLU A 64 1.479 1.317 -10.294 1.00 0.00 N ATOM 909 CA GLU A 64 0.346 2.211 -10.452 1.00 0.00 C ATOM 910 C GLU A 64 -0.953 1.493 -10.080 1.00 0.00 C ATOM 911 O GLU A 64 -1.867 2.102 -9.526 1.00 0.00 O ATOM 912 CB GLU A 64 0.278 2.765 -11.876 1.00 0.00 C ATOM 913 CG GLU A 64 0.235 1.632 -12.903 1.00 0.00 C ATOM 914 CD GLU A 64 -0.257 2.141 -14.260 1.00 0.00 C ATOM 915 OE1 GLU A 64 -1.295 2.836 -14.263 1.00 0.00 O ATOM 916 OE2 GLU A 64 0.417 1.823 -15.264 1.00 0.00 O ATOM 0 H GLU A 64 1.700 0.759 -11.119 1.00 0.00 H new ATOM 0 HA GLU A 64 0.478 3.055 -9.775 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -0.607 3.393 -11.984 1.00 0.00 H new ATOM 0 HB3 GLU A 64 1.144 3.399 -12.065 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.229 1.197 -13.012 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -0.423 0.839 -12.548 1.00 0.00 H new ATOM 923 N ARG A 65 -0.994 0.208 -10.401 1.00 0.00 N ATOM 924 CA ARG A 65 -2.165 -0.600 -10.108 1.00 0.00 C ATOM 925 C ARG A 65 -2.352 -0.736 -8.595 1.00 0.00 C ATOM 926 O ARG A 65 -1.463 -0.382 -7.822 1.00 0.00 O ATOM 927 CB ARG A 65 -2.042 -1.994 -10.727 1.00 0.00 C ATOM 928 CG ARG A 65 -0.786 -2.707 -10.224 1.00 0.00 C ATOM 929 CD ARG A 65 -0.862 -4.211 -10.499 1.00 0.00 C ATOM 930 NE ARG A 65 0.488 -4.811 -10.412 1.00 0.00 N ATOM 931 CZ ARG A 65 0.837 -5.963 -11.001 1.00 0.00 C ATOM 932 NH1 ARG A 65 -0.062 -6.646 -11.722 1.00 0.00 N ATOM 933 NH2 ARG A 65 2.086 -6.431 -10.868 1.00 0.00 N ATOM 0 H ARG A 65 -0.234 -0.293 -10.861 1.00 0.00 H new ATOM 0 HA ARG A 65 -3.030 -0.098 -10.541 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -2.924 -2.585 -10.480 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -2.008 -1.912 -11.813 1.00 0.00 H new ATOM 0 HG2 ARG A 65 0.094 -2.288 -10.712 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -0.669 -2.535 -9.154 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -1.528 -4.687 -9.779 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -1.284 -4.387 -11.488 1.00 0.00 H new ATOM 0 HE ARG A 65 1.197 -4.317 -9.870 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -1.012 -6.289 -11.823 1.00 0.00 H new ATOM 0 HH12 ARG A 65 0.204 -7.523 -12.170 1.00 0.00 H new ATOM 0 HH21 ARG A 65 2.770 -5.910 -10.319 1.00 0.00 H new ATOM 0 HH22 ARG A 65 2.352 -7.308 -11.316 1.00 0.00 H new ATOM 947 N CYS A 66 -3.514 -1.248 -8.218 1.00 0.00 N ATOM 948 CA CYS A 66 -3.829 -1.435 -6.812 1.00 0.00 C ATOM 949 C CYS A 66 -3.468 -2.871 -6.426 1.00 0.00 C ATOM 950 O CYS A 66 -4.303 -3.605 -5.900 1.00 0.00 O ATOM 951 CB CYS A 66 -5.294 -1.115 -6.513 1.00 0.00 C ATOM 952 SG CYS A 66 -6.386 -2.136 -7.568 1.00 0.00 S ATOM 0 H CYS A 66 -4.249 -1.539 -8.862 1.00 0.00 H new ATOM 0 HA CYS A 66 -3.244 -0.740 -6.210 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -5.509 -1.305 -5.461 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -5.487 -0.057 -6.692 1.00 0.00 H new ATOM 0 HG CYS A 66 -6.076 -3.391 -7.427 1.00 0.00 H new ATOM 958 N GLY A 67 -2.222 -3.229 -6.701 1.00 0.00 N ATOM 959 CA GLY A 67 -1.740 -4.563 -6.389 1.00 0.00 C ATOM 960 C GLY A 67 -0.358 -4.804 -6.998 1.00 0.00 C ATOM 961 O GLY A 67 0.203 -3.919 -7.643 1.00 0.00 O ATOM 0 H GLY A 67 -1.532 -2.617 -7.137 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -1.692 -4.692 -5.308 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -2.443 -5.305 -6.768 1.00 0.00 H new ATOM 965 N PHE A 68 0.152 -6.006 -6.773 1.00 0.00 N ATOM 966 CA PHE A 68 1.458 -6.374 -7.292 1.00 0.00 C ATOM 967 C PHE A 68 1.740 -7.860 -7.063 1.00 0.00 C ATOM 968 O PHE A 68 1.012 -8.528 -6.331 1.00 0.00 O ATOM 969 CB PHE A 68 2.493 -5.547 -6.526 1.00 0.00 C ATOM 970 CG PHE A 68 3.932 -5.754 -7.004 1.00 0.00 C ATOM 971 CD1 PHE A 68 4.359 -5.162 -8.151 1.00 0.00 C ATOM 972 CD2 PHE A 68 4.783 -6.530 -6.281 1.00 0.00 C ATOM 973 CE1 PHE A 68 5.695 -5.354 -8.594 1.00 0.00 C ATOM 974 CE2 PHE A 68 6.119 -6.722 -6.724 1.00 0.00 C ATOM 975 CZ PHE A 68 6.546 -6.130 -7.872 1.00 0.00 C ATOM 0 H PHE A 68 -0.316 -6.738 -6.238 1.00 0.00 H new ATOM 0 HA PHE A 68 1.499 -6.185 -8.365 1.00 0.00 H new ATOM 0 HB2 PHE A 68 2.239 -4.491 -6.617 1.00 0.00 H new ATOM 0 HB3 PHE A 68 2.433 -5.799 -5.467 1.00 0.00 H new ATOM 0 HD1 PHE A 68 3.683 -4.546 -8.725 1.00 0.00 H new ATOM 0 HD2 PHE A 68 4.443 -7.000 -5.370 1.00 0.00 H new ATOM 0 HE1 PHE A 68 6.035 -4.883 -9.505 1.00 0.00 H new ATOM 0 HE2 PHE A 68 6.795 -7.338 -6.150 1.00 0.00 H new ATOM 0 HZ PHE A 68 7.561 -6.277 -8.210 1.00 0.00 H new ATOM 985 N THR A 69 2.799 -8.334 -7.704 1.00 0.00 N ATOM 986 CA THR A 69 3.186 -9.729 -7.579 1.00 0.00 C ATOM 987 C THR A 69 4.655 -9.840 -7.165 1.00 0.00 C ATOM 988 O THR A 69 5.539 -9.344 -7.861 1.00 0.00 O ATOM 989 CB THR A 69 2.874 -10.427 -8.905 1.00 0.00 C ATOM 990 OG1 THR A 69 1.476 -10.690 -8.839 1.00 0.00 O ATOM 991 CG2 THR A 69 3.510 -11.815 -9.000 1.00 0.00 C ATOM 0 H THR A 69 3.400 -7.777 -8.311 1.00 0.00 H new ATOM 0 HA THR A 69 2.620 -10.227 -6.792 1.00 0.00 H new ATOM 0 HB THR A 69 3.226 -9.809 -9.731 1.00 0.00 H new ATOM 0 HG1 THR A 69 1.189 -11.140 -9.661 1.00 0.00 H new ATOM 0 HG21 THR A 69 3.258 -12.266 -9.960 1.00 0.00 H new ATOM 0 HG22 THR A 69 4.593 -11.726 -8.915 1.00 0.00 H new ATOM 0 HG23 THR A 69 3.133 -12.444 -8.193 1.00 0.00 H new ATOM 999 N VAL A 70 4.869 -10.494 -6.033 1.00 0.00 N ATOM 1000 CA VAL A 70 6.215 -10.677 -5.517 1.00 0.00 C ATOM 1001 C VAL A 70 6.819 -11.947 -6.119 1.00 0.00 C ATOM 1002 O VAL A 70 6.093 -12.862 -6.504 1.00 0.00 O ATOM 1003 CB VAL A 70 6.192 -10.692 -3.987 1.00 0.00 C ATOM 1004 CG1 VAL A 70 7.611 -10.744 -3.418 1.00 0.00 C ATOM 1005 CG2 VAL A 70 5.425 -9.488 -3.438 1.00 0.00 C ATOM 0 H VAL A 70 4.133 -10.904 -5.458 1.00 0.00 H new ATOM 0 HA VAL A 70 6.853 -9.843 -5.810 1.00 0.00 H new ATOM 0 HB VAL A 70 5.670 -11.595 -3.669 1.00 0.00 H new ATOM 0 HG11 VAL A 70 7.566 -10.754 -2.329 1.00 0.00 H new ATOM 0 HG12 VAL A 70 8.111 -11.647 -3.769 1.00 0.00 H new ATOM 0 HG13 VAL A 70 8.169 -9.868 -3.750 1.00 0.00 H new ATOM 0 HG21 VAL A 70 5.424 -9.523 -2.349 1.00 0.00 H new ATOM 0 HG22 VAL A 70 5.905 -8.568 -3.771 1.00 0.00 H new ATOM 0 HG23 VAL A 70 4.398 -9.514 -3.803 1.00 0.00 H new ATOM 1015 N LYS A 71 8.143 -11.963 -6.181 1.00 0.00 N ATOM 1016 CA LYS A 71 8.853 -13.106 -6.729 1.00 0.00 C ATOM 1017 C LYS A 71 10.072 -13.410 -5.856 1.00 0.00 C ATOM 1018 O LYS A 71 10.429 -12.619 -4.985 1.00 0.00 O ATOM 1019 CB LYS A 71 9.195 -12.868 -8.202 1.00 0.00 C ATOM 1020 CG LYS A 71 10.089 -11.637 -8.365 1.00 0.00 C ATOM 1021 CD LYS A 71 9.889 -10.992 -9.738 1.00 0.00 C ATOM 1022 CE LYS A 71 8.585 -10.193 -9.782 1.00 0.00 C ATOM 1023 NZ LYS A 71 8.812 -8.864 -10.393 1.00 0.00 N ATOM 0 H LYS A 71 8.742 -11.202 -5.861 1.00 0.00 H new ATOM 0 HA LYS A 71 8.219 -13.993 -6.712 1.00 0.00 H new ATOM 0 HB2 LYS A 71 9.700 -13.745 -8.608 1.00 0.00 H new ATOM 0 HB3 LYS A 71 8.278 -12.734 -8.775 1.00 0.00 H new ATOM 0 HG2 LYS A 71 9.863 -10.913 -7.583 1.00 0.00 H new ATOM 0 HG3 LYS A 71 11.134 -11.923 -8.242 1.00 0.00 H new ATOM 0 HD2 LYS A 71 10.730 -10.336 -9.962 1.00 0.00 H new ATOM 0 HD3 LYS A 71 9.873 -11.764 -10.508 1.00 0.00 H new ATOM 0 HE2 LYS A 71 7.836 -10.740 -10.354 1.00 0.00 H new ATOM 0 HE3 LYS A 71 8.191 -10.073 -8.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 7.917 -8.335 -10.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 9.511 -8.338 -9.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 9.167 -8.984 -11.363 1.00 0.00 H new ATOM 1037 N ASP A 72 10.677 -14.559 -6.120 1.00 0.00 N ATOM 1038 CA ASP A 72 11.848 -14.978 -5.370 1.00 0.00 C ATOM 1039 C ASP A 72 11.482 -15.103 -3.889 1.00 0.00 C ATOM 1040 O ASP A 72 11.825 -14.237 -3.086 1.00 0.00 O ATOM 1041 CB ASP A 72 12.977 -13.952 -5.492 1.00 0.00 C ATOM 1042 CG ASP A 72 14.371 -14.481 -5.152 1.00 0.00 C ATOM 1043 OD1 ASP A 72 14.666 -14.567 -3.941 1.00 0.00 O ATOM 1044 OD2 ASP A 72 15.111 -14.788 -6.112 1.00 0.00 O ATOM 0 H ASP A 72 10.378 -15.213 -6.843 1.00 0.00 H new ATOM 0 HA ASP A 72 12.183 -15.933 -5.774 1.00 0.00 H new ATOM 0 HB2 ASP A 72 12.990 -13.568 -6.512 1.00 0.00 H new ATOM 0 HB3 ASP A 72 12.755 -13.110 -4.837 1.00 0.00 H new ATOM 1049 N LEU A 73 10.790 -16.188 -3.574 1.00 0.00 N ATOM 1050 CA LEU A 73 10.373 -16.438 -2.205 1.00 0.00 C ATOM 1051 C LEU A 73 10.533 -17.927 -1.891 1.00 0.00 C ATOM 1052 O LEU A 73 10.294 -18.775 -2.749 1.00 0.00 O ATOM 1053 CB LEU A 73 8.957 -15.910 -1.970 1.00 0.00 C ATOM 1054 CG LEU A 73 8.695 -14.471 -2.421 1.00 0.00 C ATOM 1055 CD1 LEU A 73 7.201 -14.145 -2.372 1.00 0.00 C ATOM 1056 CD2 LEU A 73 9.524 -13.480 -1.602 1.00 0.00 C ATOM 0 H LEU A 73 10.508 -16.904 -4.243 1.00 0.00 H new ATOM 0 HA LEU A 73 11.011 -15.894 -1.508 1.00 0.00 H new ATOM 0 HB2 LEU A 73 8.256 -16.565 -2.487 1.00 0.00 H new ATOM 0 HB3 LEU A 73 8.735 -15.982 -0.905 1.00 0.00 H new ATOM 0 HG LEU A 73 9.012 -14.376 -3.459 1.00 0.00 H new ATOM 0 HD11 LEU A 73 7.042 -13.117 -2.697 1.00 0.00 H new ATOM 0 HD12 LEU A 73 6.659 -14.822 -3.032 1.00 0.00 H new ATOM 0 HD13 LEU A 73 6.836 -14.263 -1.352 1.00 0.00 H new ATOM 0 HD21 LEU A 73 9.319 -12.465 -1.943 1.00 0.00 H new ATOM 0 HD22 LEU A 73 9.261 -13.569 -0.548 1.00 0.00 H new ATOM 0 HD23 LEU A 73 10.584 -13.699 -1.731 1.00 0.00 H new ATOM 1068 N PRO A 74 10.948 -18.207 -0.626 1.00 0.00 N ATOM 1069 CA PRO A 74 11.143 -19.579 -0.189 1.00 0.00 C ATOM 1070 C PRO A 74 9.802 -20.270 0.061 1.00 0.00 C ATOM 1071 O PRO A 74 9.024 -19.836 0.909 1.00 0.00 O ATOM 1072 CB PRO A 74 12.000 -19.474 1.062 1.00 0.00 C ATOM 1073 CG PRO A 74 11.865 -18.038 1.541 1.00 0.00 C ATOM 1074 CD PRO A 74 11.241 -17.228 0.417 1.00 0.00 C ATOM 0 HA PRO A 74 11.634 -20.195 -0.942 1.00 0.00 H new ATOM 0 HB2 PRO A 74 11.662 -20.174 1.826 1.00 0.00 H new ATOM 0 HB3 PRO A 74 13.040 -19.717 0.844 1.00 0.00 H new ATOM 0 HG2 PRO A 74 11.244 -17.991 2.436 1.00 0.00 H new ATOM 0 HG3 PRO A 74 12.840 -17.632 1.808 1.00 0.00 H new ATOM 0 HD2 PRO A 74 10.335 -16.721 0.750 1.00 0.00 H new ATOM 0 HD3 PRO A 74 11.924 -16.458 0.057 1.00 0.00 H new ATOM 1082 N THR A 75 9.572 -21.335 -0.693 1.00 0.00 N ATOM 1083 CA THR A 75 8.338 -22.091 -0.564 1.00 0.00 C ATOM 1084 C THR A 75 8.228 -22.697 0.836 1.00 0.00 C ATOM 1085 O THR A 75 9.058 -23.515 1.230 1.00 0.00 O ATOM 1086 CB THR A 75 8.303 -23.135 -1.682 1.00 0.00 C ATOM 1087 OG1 THR A 75 8.313 -22.362 -2.879 1.00 0.00 O ATOM 1088 CG2 THR A 75 6.974 -23.891 -1.737 1.00 0.00 C ATOM 0 H THR A 75 10.220 -21.692 -1.395 1.00 0.00 H new ATOM 0 HA THR A 75 7.466 -21.446 -0.675 1.00 0.00 H new ATOM 0 HB THR A 75 9.118 -23.845 -1.541 1.00 0.00 H new ATOM 0 HG1 THR A 75 7.628 -21.663 -2.823 1.00 0.00 H new ATOM 0 HG21 THR A 75 7.003 -24.619 -2.548 1.00 0.00 H new ATOM 0 HG22 THR A 75 6.810 -24.407 -0.791 1.00 0.00 H new ATOM 0 HG23 THR A 75 6.161 -23.186 -1.911 1.00 0.00 H new ATOM 1096 N GLY A 76 7.195 -22.273 1.550 1.00 0.00 N ATOM 1097 CA GLY A 76 6.966 -22.764 2.899 1.00 0.00 C ATOM 1098 C GLY A 76 7.649 -21.867 3.932 1.00 0.00 C ATOM 1099 O GLY A 76 8.198 -22.356 4.918 1.00 0.00 O ATOM 0 H GLY A 76 6.508 -21.595 1.220 1.00 0.00 H new ATOM 0 HA2 GLY A 76 5.895 -22.804 3.098 1.00 0.00 H new ATOM 0 HA3 GLY A 76 7.345 -23.782 2.989 1.00 0.00 H new ATOM 1103 N ALA A 77 7.592 -20.569 3.672 1.00 0.00 N ATOM 1104 CA ALA A 77 8.198 -19.599 4.567 1.00 0.00 C ATOM 1105 C ALA A 77 7.169 -18.523 4.919 1.00 0.00 C ATOM 1106 O ALA A 77 6.466 -18.021 4.043 1.00 0.00 O ATOM 1107 CB ALA A 77 9.452 -19.014 3.914 1.00 0.00 C ATOM 0 H ALA A 77 7.135 -20.167 2.854 1.00 0.00 H new ATOM 0 HA ALA A 77 8.507 -20.077 5.497 1.00 0.00 H new ATOM 0 HB1 ALA A 77 9.906 -18.286 4.586 1.00 0.00 H new ATOM 0 HB2 ALA A 77 10.164 -19.814 3.711 1.00 0.00 H new ATOM 0 HB3 ALA A 77 9.181 -18.524 2.979 1.00 0.00 H new ATOM 1113 N ARG A 78 7.113 -18.200 6.203 1.00 0.00 N ATOM 1114 CA ARG A 78 6.181 -17.192 6.681 1.00 0.00 C ATOM 1115 C ARG A 78 6.737 -15.790 6.425 1.00 0.00 C ATOM 1116 O ARG A 78 7.573 -15.302 7.183 1.00 0.00 O ATOM 1117 CB ARG A 78 5.909 -17.360 8.177 1.00 0.00 C ATOM 1118 CG ARG A 78 4.788 -18.373 8.420 1.00 0.00 C ATOM 1119 CD ARG A 78 5.338 -19.663 9.032 1.00 0.00 C ATOM 1120 NE ARG A 78 4.229 -20.597 9.326 1.00 0.00 N ATOM 1121 CZ ARG A 78 4.374 -21.924 9.440 1.00 0.00 C ATOM 1122 NH1 ARG A 78 5.583 -22.481 9.286 1.00 0.00 N ATOM 1123 NH2 ARG A 78 3.311 -22.694 9.709 1.00 0.00 N ATOM 0 H ARG A 78 7.697 -18.618 6.927 1.00 0.00 H new ATOM 0 HA ARG A 78 5.246 -17.320 6.136 1.00 0.00 H new ATOM 0 HB2 ARG A 78 6.818 -17.690 8.681 1.00 0.00 H new ATOM 0 HB3 ARG A 78 5.635 -16.398 8.611 1.00 0.00 H new ATOM 0 HG2 ARG A 78 4.040 -17.941 9.085 1.00 0.00 H new ATOM 0 HG3 ARG A 78 4.286 -18.598 7.479 1.00 0.00 H new ATOM 0 HD2 ARG A 78 6.044 -20.129 8.345 1.00 0.00 H new ATOM 0 HD3 ARG A 78 5.886 -19.436 9.947 1.00 0.00 H new ATOM 0 HE ARG A 78 3.295 -20.206 9.450 1.00 0.00 H new ATOM 0 HH11 ARG A 78 6.392 -21.895 9.082 1.00 0.00 H new ATOM 0 HH12 ARG A 78 5.694 -23.491 9.373 1.00 0.00 H new ATOM 0 HH21 ARG A 78 2.391 -22.270 9.827 1.00 0.00 H new ATOM 0 HH22 ARG A 78 3.422 -23.704 9.796 1.00 0.00 H new ATOM 1137 N ILE A 79 6.251 -15.182 5.352 1.00 0.00 N ATOM 1138 CA ILE A 79 6.689 -13.846 4.987 1.00 0.00 C ATOM 1139 C ILE A 79 5.512 -12.877 5.109 1.00 0.00 C ATOM 1140 O ILE A 79 4.390 -13.206 4.729 1.00 0.00 O ATOM 1141 CB ILE A 79 7.337 -13.855 3.601 1.00 0.00 C ATOM 1142 CG1 ILE A 79 8.430 -14.923 3.513 1.00 0.00 C ATOM 1143 CG2 ILE A 79 7.862 -12.466 3.231 1.00 0.00 C ATOM 1144 CD1 ILE A 79 8.876 -15.133 2.065 1.00 0.00 C ATOM 0 H ILE A 79 5.558 -15.590 4.724 1.00 0.00 H new ATOM 0 HA ILE A 79 7.461 -13.498 5.673 1.00 0.00 H new ATOM 0 HB ILE A 79 6.572 -14.115 2.869 1.00 0.00 H new ATOM 0 HG12 ILE A 79 9.284 -14.625 4.121 1.00 0.00 H new ATOM 0 HG13 ILE A 79 8.059 -15.862 3.923 1.00 0.00 H new ATOM 0 HG21 ILE A 79 8.318 -12.501 2.241 1.00 0.00 H new ATOM 0 HG22 ILE A 79 7.036 -11.755 3.226 1.00 0.00 H new ATOM 0 HG23 ILE A 79 8.607 -12.152 3.962 1.00 0.00 H new ATOM 0 HD11 ILE A 79 9.653 -15.897 2.031 1.00 0.00 H new ATOM 0 HD12 ILE A 79 8.025 -15.454 1.465 1.00 0.00 H new ATOM 0 HD13 ILE A 79 9.269 -14.198 1.666 1.00 0.00 H new ATOM 1156 N LEU A 80 5.808 -11.700 5.641 1.00 0.00 N ATOM 1157 CA LEU A 80 4.788 -10.680 5.818 1.00 0.00 C ATOM 1158 C LEU A 80 4.933 -9.624 4.720 1.00 0.00 C ATOM 1159 O LEU A 80 6.032 -9.130 4.470 1.00 0.00 O ATOM 1160 CB LEU A 80 4.845 -10.106 7.235 1.00 0.00 C ATOM 1161 CG LEU A 80 4.213 -10.965 8.332 1.00 0.00 C ATOM 1162 CD1 LEU A 80 4.679 -10.514 9.718 1.00 0.00 C ATOM 1163 CD2 LEU A 80 2.688 -10.971 8.214 1.00 0.00 C ATOM 0 H LEU A 80 6.740 -11.430 5.955 1.00 0.00 H new ATOM 0 HA LEU A 80 3.793 -11.114 5.714 1.00 0.00 H new ATOM 0 HB2 LEU A 80 5.890 -9.932 7.494 1.00 0.00 H new ATOM 0 HB3 LEU A 80 4.351 -9.134 7.232 1.00 0.00 H new ATOM 0 HG LEU A 80 4.550 -11.993 8.197 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.215 -11.141 10.480 1.00 0.00 H new ATOM 0 HD12 LEU A 80 5.763 -10.604 9.785 1.00 0.00 H new ATOM 0 HD13 LEU A 80 4.391 -9.475 9.878 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.264 -11.589 9.006 1.00 0.00 H new ATOM 0 HD22 LEU A 80 2.312 -9.952 8.308 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.400 -11.376 7.244 1.00 0.00 H new ATOM 1175 N PHE A 81 3.809 -9.309 4.094 1.00 0.00 N ATOM 1176 CA PHE A 81 3.797 -8.321 3.029 1.00 0.00 C ATOM 1177 C PHE A 81 3.204 -6.997 3.516 1.00 0.00 C ATOM 1178 O PHE A 81 2.252 -6.989 4.295 1.00 0.00 O ATOM 1179 CB PHE A 81 2.916 -8.880 1.910 1.00 0.00 C ATOM 1180 CG PHE A 81 3.459 -10.159 1.270 1.00 0.00 C ATOM 1181 CD1 PHE A 81 4.750 -10.212 0.846 1.00 0.00 C ATOM 1182 CD2 PHE A 81 2.650 -11.243 1.126 1.00 0.00 C ATOM 1183 CE1 PHE A 81 5.253 -11.400 0.252 1.00 0.00 C ATOM 1184 CE2 PHE A 81 3.154 -12.431 0.533 1.00 0.00 C ATOM 1185 CZ PHE A 81 4.445 -12.484 0.108 1.00 0.00 C ATOM 0 H PHE A 81 2.900 -9.721 4.304 1.00 0.00 H new ATOM 0 HA PHE A 81 4.814 -8.129 2.688 1.00 0.00 H new ATOM 0 HB2 PHE A 81 1.922 -9.080 2.310 1.00 0.00 H new ATOM 0 HB3 PHE A 81 2.802 -8.120 1.137 1.00 0.00 H new ATOM 0 HD1 PHE A 81 5.392 -9.351 0.961 1.00 0.00 H new ATOM 0 HD2 PHE A 81 1.625 -11.200 1.463 1.00 0.00 H new ATOM 0 HE1 PHE A 81 6.278 -11.442 -0.086 1.00 0.00 H new ATOM 0 HE2 PHE A 81 2.512 -13.292 0.420 1.00 0.00 H new ATOM 0 HZ PHE A 81 4.828 -13.387 -0.344 1.00 0.00 H new ATOM 1195 N ARG A 82 3.791 -5.911 3.037 1.00 0.00 N ATOM 1196 CA ARG A 82 3.333 -4.584 3.414 1.00 0.00 C ATOM 1197 C ARG A 82 3.362 -3.649 2.203 1.00 0.00 C ATOM 1198 O ARG A 82 4.299 -3.686 1.407 1.00 0.00 O ATOM 1199 CB ARG A 82 4.204 -3.996 4.525 1.00 0.00 C ATOM 1200 CG ARG A 82 5.646 -3.807 4.049 1.00 0.00 C ATOM 1201 CD ARG A 82 6.082 -2.347 4.187 1.00 0.00 C ATOM 1202 NE ARG A 82 7.357 -2.267 4.933 1.00 0.00 N ATOM 1203 CZ ARG A 82 8.227 -1.253 4.829 1.00 0.00 C ATOM 1204 NH1 ARG A 82 7.964 -0.227 4.008 1.00 0.00 N ATOM 1205 NH2 ARG A 82 9.360 -1.265 5.545 1.00 0.00 N ATOM 0 H ARG A 82 4.580 -5.922 2.391 1.00 0.00 H new ATOM 0 HA ARG A 82 2.311 -4.677 3.781 1.00 0.00 H new ATOM 0 HB2 ARG A 82 3.794 -3.038 4.845 1.00 0.00 H new ATOM 0 HB3 ARG A 82 4.187 -4.655 5.393 1.00 0.00 H new ATOM 0 HG2 ARG A 82 6.311 -4.445 4.630 1.00 0.00 H new ATOM 0 HG3 ARG A 82 5.733 -4.120 3.008 1.00 0.00 H new ATOM 0 HD2 ARG A 82 6.200 -1.900 3.200 1.00 0.00 H new ATOM 0 HD3 ARG A 82 5.312 -1.776 4.706 1.00 0.00 H new ATOM 0 HE ARG A 82 7.589 -3.032 5.567 1.00 0.00 H new ATOM 0 HH11 ARG A 82 7.102 -0.218 3.463 1.00 0.00 H new ATOM 0 HH12 ARG A 82 8.626 0.545 3.928 1.00 0.00 H new ATOM 0 HH21 ARG A 82 9.560 -2.046 6.169 1.00 0.00 H new ATOM 0 HH22 ARG A 82 10.022 -0.493 5.465 1.00 0.00 H new ATOM 1219 N VAL A 83 2.324 -2.832 2.102 1.00 0.00 N ATOM 1220 CA VAL A 83 2.218 -1.889 1.002 1.00 0.00 C ATOM 1221 C VAL A 83 2.192 -0.464 1.558 1.00 0.00 C ATOM 1222 O VAL A 83 1.410 -0.159 2.458 1.00 0.00 O ATOM 1223 CB VAL A 83 0.994 -2.218 0.145 1.00 0.00 C ATOM 1224 CG1 VAL A 83 0.435 -0.959 -0.520 1.00 0.00 C ATOM 1225 CG2 VAL A 83 1.326 -3.287 -0.897 1.00 0.00 C ATOM 0 H VAL A 83 1.549 -2.804 2.764 1.00 0.00 H new ATOM 0 HA VAL A 83 3.086 -1.968 0.348 1.00 0.00 H new ATOM 0 HB VAL A 83 0.223 -2.619 0.803 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -0.434 -1.221 -1.123 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.142 -0.242 0.247 1.00 0.00 H new ATOM 0 HG13 VAL A 83 1.199 -0.515 -1.158 1.00 0.00 H new ATOM 0 HG21 VAL A 83 0.439 -3.502 -1.493 1.00 0.00 H new ATOM 0 HG22 VAL A 83 2.122 -2.925 -1.548 1.00 0.00 H new ATOM 0 HG23 VAL A 83 1.654 -4.196 -0.394 1.00 0.00 H new ATOM 1235 N VAL A 84 3.057 0.371 1.001 1.00 0.00 N ATOM 1236 CA VAL A 84 3.143 1.757 1.430 1.00 0.00 C ATOM 1237 C VAL A 84 2.962 2.674 0.219 1.00 0.00 C ATOM 1238 O VAL A 84 3.630 2.501 -0.800 1.00 0.00 O ATOM 1239 CB VAL A 84 4.461 1.995 2.169 1.00 0.00 C ATOM 1240 CG1 VAL A 84 4.347 1.587 3.639 1.00 0.00 C ATOM 1241 CG2 VAL A 84 5.614 1.258 1.484 1.00 0.00 C ATOM 0 H VAL A 84 3.705 0.114 0.256 1.00 0.00 H new ATOM 0 HA VAL A 84 2.344 1.989 2.135 1.00 0.00 H new ATOM 0 HB VAL A 84 4.677 3.063 2.133 1.00 0.00 H new ATOM 0 HG11 VAL A 84 5.298 1.766 4.141 1.00 0.00 H new ATOM 0 HG12 VAL A 84 3.566 2.175 4.120 1.00 0.00 H new ATOM 0 HG13 VAL A 84 4.096 0.528 3.704 1.00 0.00 H new ATOM 0 HG21 VAL A 84 6.539 1.444 2.029 1.00 0.00 H new ATOM 0 HG22 VAL A 84 5.407 0.188 1.474 1.00 0.00 H new ATOM 0 HG23 VAL A 84 5.718 1.617 0.460 1.00 0.00 H new ATOM 1251 N GLY A 85 2.056 3.629 0.369 1.00 0.00 N ATOM 1252 CA GLY A 85 1.779 4.573 -0.700 1.00 0.00 C ATOM 1253 C GLY A 85 2.804 5.709 -0.706 1.00 0.00 C ATOM 1254 O GLY A 85 2.921 6.450 0.269 1.00 0.00 O ATOM 0 H GLY A 85 1.504 3.769 1.215 1.00 0.00 H new ATOM 0 HA2 GLY A 85 1.797 4.057 -1.660 1.00 0.00 H new ATOM 0 HA3 GLY A 85 0.777 4.983 -0.577 1.00 0.00 H new ATOM 1258 N VAL A 86 3.520 5.812 -1.816 1.00 0.00 N ATOM 1259 CA VAL A 86 4.530 6.846 -1.962 1.00 0.00 C ATOM 1260 C VAL A 86 3.927 8.042 -2.701 1.00 0.00 C ATOM 1261 O VAL A 86 2.905 7.910 -3.373 1.00 0.00 O ATOM 1262 CB VAL A 86 5.766 6.274 -2.660 1.00 0.00 C ATOM 1263 CG1 VAL A 86 6.463 5.236 -1.777 1.00 0.00 C ATOM 1264 CG2 VAL A 86 5.402 5.681 -4.022 1.00 0.00 C ATOM 0 H VAL A 86 3.421 5.196 -2.623 1.00 0.00 H new ATOM 0 HA VAL A 86 4.858 7.200 -0.985 1.00 0.00 H new ATOM 0 HB VAL A 86 6.465 7.093 -2.829 1.00 0.00 H new ATOM 0 HG11 VAL A 86 7.338 4.845 -2.296 1.00 0.00 H new ATOM 0 HG12 VAL A 86 6.774 5.703 -0.843 1.00 0.00 H new ATOM 0 HG13 VAL A 86 5.774 4.419 -1.562 1.00 0.00 H new ATOM 0 HG21 VAL A 86 6.298 5.282 -4.496 1.00 0.00 H new ATOM 0 HG22 VAL A 86 4.675 4.880 -3.888 1.00 0.00 H new ATOM 0 HG23 VAL A 86 4.973 6.458 -4.654 1.00 0.00 H new ATOM 1274 N ASN A 87 4.585 9.182 -2.551 1.00 0.00 N ATOM 1275 CA ASN A 87 4.126 10.401 -3.196 1.00 0.00 C ATOM 1276 C ASN A 87 5.165 11.505 -2.988 1.00 0.00 C ATOM 1277 O ASN A 87 6.176 11.293 -2.321 1.00 0.00 O ATOM 1278 CB ASN A 87 2.803 10.878 -2.593 1.00 0.00 C ATOM 1279 CG ASN A 87 2.824 10.771 -1.067 1.00 0.00 C ATOM 1280 OD1 ASN A 87 3.510 11.507 -0.377 1.00 0.00 O ATOM 1281 ND2 ASN A 87 2.038 9.815 -0.581 1.00 0.00 N ATOM 0 H ASN A 87 5.432 9.288 -1.993 1.00 0.00 H new ATOM 0 HA ASN A 87 3.984 10.189 -4.256 1.00 0.00 H new ATOM 0 HB2 ASN A 87 2.618 11.911 -2.886 1.00 0.00 H new ATOM 0 HB3 ASN A 87 1.982 10.282 -2.991 1.00 0.00 H new ATOM 0 HD21 ASN A 87 1.983 9.663 0.426 1.00 0.00 H new ATOM 0 HD22 ASN A 87 1.490 9.234 -1.215 1.00 0.00 H new ATOM 1288 N ILE A 88 4.879 12.660 -3.572 1.00 0.00 N ATOM 1289 CA ILE A 88 5.776 13.797 -3.459 1.00 0.00 C ATOM 1290 C ILE A 88 6.142 14.009 -1.989 1.00 0.00 C ATOM 1291 O ILE A 88 7.231 14.490 -1.680 1.00 0.00 O ATOM 1292 CB ILE A 88 5.163 15.031 -4.124 1.00 0.00 C ATOM 1293 CG1 ILE A 88 6.217 16.118 -4.340 1.00 0.00 C ATOM 1294 CG2 ILE A 88 3.964 15.546 -3.324 1.00 0.00 C ATOM 1295 CD1 ILE A 88 6.221 16.597 -5.794 1.00 0.00 C ATOM 0 H ILE A 88 4.039 12.832 -4.124 1.00 0.00 H new ATOM 0 HA ILE A 88 6.706 13.603 -3.994 1.00 0.00 H new ATOM 0 HB ILE A 88 4.794 14.741 -5.108 1.00 0.00 H new ATOM 0 HG12 ILE A 88 6.018 16.960 -3.677 1.00 0.00 H new ATOM 0 HG13 ILE A 88 7.202 15.732 -4.078 1.00 0.00 H new ATOM 0 HG21 ILE A 88 3.547 16.423 -3.818 1.00 0.00 H new ATOM 0 HG22 ILE A 88 3.204 14.767 -3.265 1.00 0.00 H new ATOM 0 HG23 ILE A 88 4.286 15.815 -2.318 1.00 0.00 H new ATOM 0 HD11 ILE A 88 6.979 17.370 -5.920 1.00 0.00 H new ATOM 0 HD12 ILE A 88 6.444 15.758 -6.453 1.00 0.00 H new ATOM 0 HD13 ILE A 88 5.242 17.005 -6.045 1.00 0.00 H new ATOM 1307 N ALA A 89 5.212 13.638 -1.121 1.00 0.00 N ATOM 1308 CA ALA A 89 5.424 13.781 0.309 1.00 0.00 C ATOM 1309 C ALA A 89 6.312 12.639 0.806 1.00 0.00 C ATOM 1310 O ALA A 89 7.152 12.838 1.682 1.00 0.00 O ATOM 1311 CB ALA A 89 4.071 13.821 1.024 1.00 0.00 C ATOM 0 H ALA A 89 4.310 13.239 -1.381 1.00 0.00 H new ATOM 0 HA ALA A 89 5.937 14.717 0.529 1.00 0.00 H new ATOM 0 HB1 ALA A 89 4.230 13.928 2.097 1.00 0.00 H new ATOM 0 HB2 ALA A 89 3.490 14.667 0.657 1.00 0.00 H new ATOM 0 HB3 ALA A 89 3.528 12.896 0.828 1.00 0.00 H new ATOM 1317 N GLY A 90 6.096 11.468 0.225 1.00 0.00 N ATOM 1318 CA GLY A 90 6.867 10.294 0.597 1.00 0.00 C ATOM 1319 C GLY A 90 5.952 9.091 0.835 1.00 0.00 C ATOM 1320 O GLY A 90 4.813 9.071 0.372 1.00 0.00 O ATOM 0 H GLY A 90 5.398 11.307 -0.501 1.00 0.00 H new ATOM 0 HA2 GLY A 90 7.584 10.060 -0.190 1.00 0.00 H new ATOM 0 HA3 GLY A 90 7.442 10.503 1.499 1.00 0.00 H new ATOM 1324 N ARG A 91 6.486 8.116 1.557 1.00 0.00 N ATOM 1325 CA ARG A 91 5.732 6.912 1.861 1.00 0.00 C ATOM 1326 C ARG A 91 4.756 7.173 3.011 1.00 0.00 C ATOM 1327 O ARG A 91 4.923 8.129 3.766 1.00 0.00 O ATOM 1328 CB ARG A 91 6.664 5.760 2.244 1.00 0.00 C ATOM 1329 CG ARG A 91 7.425 6.077 3.533 1.00 0.00 C ATOM 1330 CD ARG A 91 6.694 5.513 4.753 1.00 0.00 C ATOM 1331 NE ARG A 91 7.513 5.712 5.970 1.00 0.00 N ATOM 1332 CZ ARG A 91 8.502 4.893 6.352 1.00 0.00 C ATOM 1333 NH1 ARG A 91 8.801 3.815 5.615 1.00 0.00 N ATOM 1334 NH2 ARG A 91 9.192 5.152 7.471 1.00 0.00 N ATOM 0 H ARG A 91 7.431 8.136 1.940 1.00 0.00 H new ATOM 0 HA ARG A 91 5.177 6.633 0.965 1.00 0.00 H new ATOM 0 HB2 ARG A 91 6.084 4.846 2.375 1.00 0.00 H new ATOM 0 HB3 ARG A 91 7.371 5.575 1.436 1.00 0.00 H new ATOM 0 HG2 ARG A 91 8.429 5.657 3.480 1.00 0.00 H new ATOM 0 HG3 ARG A 91 7.536 7.156 3.638 1.00 0.00 H new ATOM 0 HD2 ARG A 91 5.729 6.006 4.869 1.00 0.00 H new ATOM 0 HD3 ARG A 91 6.494 4.451 4.609 1.00 0.00 H new ATOM 0 HE ARG A 91 7.312 6.523 6.554 1.00 0.00 H new ATOM 0 HH11 ARG A 91 8.276 3.618 4.763 1.00 0.00 H new ATOM 0 HH12 ARG A 91 9.554 3.191 5.906 1.00 0.00 H new ATOM 0 HH21 ARG A 91 8.964 5.973 8.032 1.00 0.00 H new ATOM 0 HH22 ARG A 91 9.945 4.528 7.762 1.00 0.00 H new ATOM 1348 N SER A 92 3.759 6.305 3.106 1.00 0.00 N ATOM 1349 CA SER A 92 2.757 6.430 4.151 1.00 0.00 C ATOM 1350 C SER A 92 2.742 5.168 5.016 1.00 0.00 C ATOM 1351 O SER A 92 3.542 4.257 4.804 1.00 0.00 O ATOM 1352 CB SER A 92 1.370 6.682 3.556 1.00 0.00 C ATOM 1353 OG SER A 92 1.087 5.804 2.471 1.00 0.00 O ATOM 0 H SER A 92 3.624 5.513 2.477 1.00 0.00 H new ATOM 0 HA SER A 92 3.017 7.286 4.774 1.00 0.00 H new ATOM 0 HB2 SER A 92 0.614 6.555 4.331 1.00 0.00 H new ATOM 0 HB3 SER A 92 1.305 7.715 3.213 1.00 0.00 H new ATOM 0 HG SER A 92 1.655 6.035 1.707 1.00 0.00 H new ATOM 1359 N GLU A 93 1.825 5.154 5.971 1.00 0.00 N ATOM 1360 CA GLU A 93 1.696 4.019 6.869 1.00 0.00 C ATOM 1361 C GLU A 93 1.623 2.716 6.069 1.00 0.00 C ATOM 1362 O GLU A 93 0.881 2.623 5.093 1.00 0.00 O ATOM 1363 CB GLU A 93 0.474 4.174 7.777 1.00 0.00 C ATOM 1364 CG GLU A 93 0.792 5.069 8.976 1.00 0.00 C ATOM 1365 CD GLU A 93 0.998 4.236 10.243 1.00 0.00 C ATOM 1366 OE1 GLU A 93 -0.028 3.872 10.856 1.00 0.00 O ATOM 1367 OE2 GLU A 93 2.178 3.982 10.569 1.00 0.00 O ATOM 0 H GLU A 93 1.163 5.911 6.143 1.00 0.00 H new ATOM 0 HA GLU A 93 2.579 3.983 7.507 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -0.353 4.600 7.210 1.00 0.00 H new ATOM 0 HB3 GLU A 93 0.149 3.194 8.126 1.00 0.00 H new ATOM 0 HG2 GLU A 93 1.689 5.653 8.771 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -0.021 5.778 9.131 1.00 0.00 H new ATOM 1374 N PRO A 94 2.425 1.717 6.525 1.00 0.00 N ATOM 1375 CA PRO A 94 2.458 0.424 5.864 1.00 0.00 C ATOM 1376 C PRO A 94 1.203 -0.390 6.186 1.00 0.00 C ATOM 1377 O PRO A 94 0.875 -0.597 7.353 1.00 0.00 O ATOM 1378 CB PRO A 94 3.736 -0.237 6.355 1.00 0.00 C ATOM 1379 CG PRO A 94 4.130 0.508 7.621 1.00 0.00 C ATOM 1380 CD PRO A 94 3.317 1.791 7.678 1.00 0.00 C ATOM 0 HA PRO A 94 2.461 0.508 4.777 1.00 0.00 H new ATOM 0 HB2 PRO A 94 3.575 -1.296 6.559 1.00 0.00 H new ATOM 0 HB3 PRO A 94 4.523 -0.173 5.603 1.00 0.00 H new ATOM 0 HG2 PRO A 94 3.937 -0.106 8.501 1.00 0.00 H new ATOM 0 HG3 PRO A 94 5.197 0.732 7.616 1.00 0.00 H new ATOM 0 HD2 PRO A 94 2.755 1.862 8.609 1.00 0.00 H new ATOM 0 HD3 PRO A 94 3.960 2.670 7.625 1.00 0.00 H new ATOM 1388 N ALA A 95 0.534 -0.829 5.129 1.00 0.00 N ATOM 1389 CA ALA A 95 -0.678 -1.615 5.285 1.00 0.00 C ATOM 1390 C ALA A 95 -0.304 -3.081 5.512 1.00 0.00 C ATOM 1391 O ALA A 95 -0.803 -3.967 4.819 1.00 0.00 O ATOM 1392 CB ALA A 95 -1.571 -1.424 4.057 1.00 0.00 C ATOM 0 H ALA A 95 0.808 -0.655 4.162 1.00 0.00 H new ATOM 0 HA ALA A 95 -1.244 -1.281 6.155 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -2.480 -2.013 4.173 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -1.832 -0.370 3.957 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -1.038 -1.752 3.165 1.00 0.00 H new ATOM 1398 N THR A 96 0.571 -3.292 6.484 1.00 0.00 N ATOM 1399 CA THR A 96 1.017 -4.635 6.811 1.00 0.00 C ATOM 1400 C THR A 96 -0.157 -5.615 6.755 1.00 0.00 C ATOM 1401 O THR A 96 -1.297 -5.240 7.023 1.00 0.00 O ATOM 1402 CB THR A 96 1.703 -4.586 8.178 1.00 0.00 C ATOM 1403 OG1 THR A 96 2.579 -3.467 8.086 1.00 0.00 O ATOM 1404 CG2 THR A 96 2.639 -5.775 8.406 1.00 0.00 C ATOM 0 H THR A 96 0.983 -2.555 7.056 1.00 0.00 H new ATOM 0 HA THR A 96 1.740 -5.000 6.082 1.00 0.00 H new ATOM 0 HB THR A 96 0.947 -4.563 8.963 1.00 0.00 H new ATOM 0 HG1 THR A 96 3.063 -3.360 8.931 1.00 0.00 H new ATOM 0 HG21 THR A 96 3.100 -5.692 9.390 1.00 0.00 H new ATOM 0 HG22 THR A 96 2.069 -6.703 8.349 1.00 0.00 H new ATOM 0 HG23 THR A 96 3.415 -5.779 7.641 1.00 0.00 H new ATOM 1412 N LEU A 97 0.163 -6.853 6.404 1.00 0.00 N ATOM 1413 CA LEU A 97 -0.850 -7.889 6.310 1.00 0.00 C ATOM 1414 C LEU A 97 -1.247 -8.339 7.717 1.00 0.00 C ATOM 1415 O LEU A 97 -0.440 -8.275 8.644 1.00 0.00 O ATOM 1416 CB LEU A 97 -0.367 -9.031 5.413 1.00 0.00 C ATOM 1417 CG LEU A 97 -0.585 -8.841 3.910 1.00 0.00 C ATOM 1418 CD1 LEU A 97 -0.183 -10.098 3.135 1.00 0.00 C ATOM 1419 CD2 LEU A 97 -2.026 -8.421 3.614 1.00 0.00 C ATOM 0 H LEU A 97 1.110 -7.161 6.182 1.00 0.00 H new ATOM 0 HA LEU A 97 -1.750 -7.499 5.834 1.00 0.00 H new ATOM 0 HB2 LEU A 97 0.698 -9.180 5.590 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -0.872 -9.947 5.720 1.00 0.00 H new ATOM 0 HG LEU A 97 0.062 -8.032 3.570 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -0.348 -9.937 2.070 1.00 0.00 H new ATOM 0 HD12 LEU A 97 0.871 -10.312 3.311 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -0.786 -10.941 3.472 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -2.154 -8.293 2.539 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -2.710 -9.191 3.972 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -2.242 -7.480 4.120 1.00 0.00 H new ATOM 1431 N LEU A 98 -2.489 -8.784 7.834 1.00 0.00 N ATOM 1432 CA LEU A 98 -3.002 -9.245 9.113 1.00 0.00 C ATOM 1433 C LEU A 98 -2.367 -10.594 9.457 1.00 0.00 C ATOM 1434 O LEU A 98 -2.144 -10.899 10.627 1.00 0.00 O ATOM 1435 CB LEU A 98 -4.532 -9.271 9.099 1.00 0.00 C ATOM 1436 CG LEU A 98 -5.222 -7.943 8.778 1.00 0.00 C ATOM 1437 CD1 LEU A 98 -6.187 -8.097 7.601 1.00 0.00 C ATOM 1438 CD2 LEU A 98 -5.915 -7.373 10.017 1.00 0.00 C ATOM 0 H LEU A 98 -3.156 -8.835 7.064 1.00 0.00 H new ATOM 0 HA LEU A 98 -2.725 -8.551 9.906 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -4.856 -10.012 8.369 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -4.879 -9.612 10.075 1.00 0.00 H new ATOM 0 HG LEU A 98 -4.459 -7.225 8.476 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -6.664 -7.139 7.394 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -5.636 -8.426 6.720 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -6.949 -8.835 7.850 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -6.398 -6.429 9.762 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -6.665 -8.080 10.372 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -5.177 -7.203 10.801 1.00 0.00 H new ATOM 1450 N GLN A 99 -2.095 -11.366 8.415 1.00 0.00 N ATOM 1451 CA GLN A 99 -1.490 -12.675 8.592 1.00 0.00 C ATOM 1452 C GLN A 99 -0.373 -12.887 7.568 1.00 0.00 C ATOM 1453 O GLN A 99 -0.428 -12.348 6.464 1.00 0.00 O ATOM 1454 CB GLN A 99 -2.542 -13.782 8.492 1.00 0.00 C ATOM 1455 CG GLN A 99 -3.460 -13.779 9.716 1.00 0.00 C ATOM 1456 CD GLN A 99 -3.552 -15.174 10.337 1.00 0.00 C ATOM 1457 OE1 GLN A 99 -3.114 -16.163 9.773 1.00 0.00 O ATOM 1458 NE2 GLN A 99 -4.144 -15.198 11.527 1.00 0.00 N ATOM 0 H GLN A 99 -2.282 -11.110 7.446 1.00 0.00 H new ATOM 0 HA GLN A 99 -1.054 -12.721 9.590 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -3.135 -13.644 7.588 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -2.049 -14.750 8.405 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -3.083 -13.072 10.455 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -4.455 -13.439 9.428 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -4.488 -14.333 11.943 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -4.254 -16.082 12.024 1.00 0.00 H new ATOM 1467 N PRO A 100 0.641 -13.693 7.982 1.00 0.00 N ATOM 1468 CA PRO A 100 1.769 -13.982 7.114 1.00 0.00 C ATOM 1469 C PRO A 100 1.378 -14.978 6.020 1.00 0.00 C ATOM 1470 O PRO A 100 0.276 -15.522 6.036 1.00 0.00 O ATOM 1471 CB PRO A 100 2.852 -14.512 8.040 1.00 0.00 C ATOM 1472 CG PRO A 100 2.140 -14.937 9.314 1.00 0.00 C ATOM 1473 CD PRO A 100 0.739 -14.348 9.283 1.00 0.00 C ATOM 0 HA PRO A 100 2.120 -13.103 6.574 1.00 0.00 H new ATOM 0 HB2 PRO A 100 3.376 -15.353 7.586 1.00 0.00 H new ATOM 0 HB3 PRO A 100 3.598 -13.745 8.247 1.00 0.00 H new ATOM 0 HG2 PRO A 100 2.096 -16.024 9.382 1.00 0.00 H new ATOM 0 HG3 PRO A 100 2.683 -14.584 10.191 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -0.019 -15.123 9.394 1.00 0.00 H new ATOM 0 HD3 PRO A 100 0.590 -13.638 10.096 1.00 0.00 H new ATOM 1481 N VAL A 101 2.304 -15.185 5.095 1.00 0.00 N ATOM 1482 CA VAL A 101 2.070 -16.106 3.995 1.00 0.00 C ATOM 1483 C VAL A 101 3.125 -17.214 4.030 1.00 0.00 C ATOM 1484 O VAL A 101 4.315 -16.939 4.176 1.00 0.00 O ATOM 1485 CB VAL A 101 2.049 -15.342 2.670 1.00 0.00 C ATOM 1486 CG1 VAL A 101 2.115 -16.304 1.482 1.00 0.00 C ATOM 1487 CG2 VAL A 101 0.816 -14.440 2.576 1.00 0.00 C ATOM 0 H VAL A 101 3.217 -14.731 5.084 1.00 0.00 H new ATOM 0 HA VAL A 101 1.095 -16.583 4.096 1.00 0.00 H new ATOM 0 HB VAL A 101 2.933 -14.706 2.636 1.00 0.00 H new ATOM 0 HG11 VAL A 101 2.099 -15.736 0.552 1.00 0.00 H new ATOM 0 HG12 VAL A 101 3.035 -16.886 1.536 1.00 0.00 H new ATOM 0 HG13 VAL A 101 1.258 -16.977 1.511 1.00 0.00 H new ATOM 0 HG21 VAL A 101 0.826 -13.908 1.624 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -0.086 -15.049 2.642 1.00 0.00 H new ATOM 0 HG23 VAL A 101 0.829 -13.720 3.394 1.00 0.00 H new ATOM 1497 N THR A 102 2.650 -18.443 3.893 1.00 0.00 N ATOM 1498 CA THR A 102 3.537 -19.594 3.907 1.00 0.00 C ATOM 1499 C THR A 102 4.238 -19.743 2.556 1.00 0.00 C ATOM 1500 O THR A 102 5.280 -20.390 2.461 1.00 0.00 O ATOM 1501 CB THR A 102 2.713 -20.821 4.303 1.00 0.00 C ATOM 1502 OG1 THR A 102 2.994 -20.995 5.689 1.00 0.00 O ATOM 1503 CG2 THR A 102 3.229 -22.107 3.654 1.00 0.00 C ATOM 0 H THR A 102 1.662 -18.667 3.772 1.00 0.00 H new ATOM 0 HA THR A 102 4.335 -19.470 4.640 1.00 0.00 H new ATOM 0 HB THR A 102 1.672 -20.665 4.022 1.00 0.00 H new ATOM 0 HG1 THR A 102 2.499 -21.769 6.029 1.00 0.00 H new ATOM 0 HG21 THR A 102 2.609 -22.947 3.968 1.00 0.00 H new ATOM 0 HG22 THR A 102 3.186 -22.010 2.569 1.00 0.00 H new ATOM 0 HG23 THR A 102 4.260 -22.282 3.962 1.00 0.00 H new ATOM 1511 N ILE A 103 3.639 -19.133 1.543 1.00 0.00 N ATOM 1512 CA ILE A 103 4.193 -19.190 0.201 1.00 0.00 C ATOM 1513 C ILE A 103 4.152 -20.634 -0.302 1.00 0.00 C ATOM 1514 O ILE A 103 5.021 -21.437 0.033 1.00 0.00 O ATOM 1515 CB ILE A 103 5.590 -18.568 0.172 1.00 0.00 C ATOM 1516 CG1 ILE A 103 5.566 -17.138 0.717 1.00 0.00 C ATOM 1517 CG2 ILE A 103 6.191 -18.635 -1.234 1.00 0.00 C ATOM 1518 CD1 ILE A 103 4.863 -16.192 -0.259 1.00 0.00 C ATOM 0 H ILE A 103 2.775 -18.597 1.625 1.00 0.00 H new ATOM 0 HA ILE A 103 3.590 -18.596 -0.486 1.00 0.00 H new ATOM 0 HB ILE A 103 6.237 -19.151 0.827 1.00 0.00 H new ATOM 0 HG12 ILE A 103 5.054 -17.120 1.679 1.00 0.00 H new ATOM 0 HG13 ILE A 103 6.585 -16.794 0.892 1.00 0.00 H new ATOM 0 HG21 ILE A 103 7.184 -18.186 -1.227 1.00 0.00 H new ATOM 0 HG22 ILE A 103 6.265 -19.676 -1.549 1.00 0.00 H new ATOM 0 HG23 ILE A 103 5.552 -18.091 -1.929 1.00 0.00 H new ATOM 0 HD11 ILE A 103 4.859 -15.182 0.152 1.00 0.00 H new ATOM 0 HD12 ILE A 103 5.392 -16.194 -1.212 1.00 0.00 H new ATOM 0 HD13 ILE A 103 3.837 -16.525 -0.413 1.00 0.00 H new ATOM 1530 N ARG A 104 3.132 -20.921 -1.098 1.00 0.00 N ATOM 1531 CA ARG A 104 2.967 -22.255 -1.651 1.00 0.00 C ATOM 1532 C ARG A 104 1.788 -22.282 -2.626 1.00 0.00 C ATOM 1533 O ARG A 104 0.812 -21.556 -2.447 1.00 0.00 O ATOM 1534 CB ARG A 104 2.728 -23.284 -0.544 1.00 0.00 C ATOM 1535 CG ARG A 104 3.693 -24.464 -0.676 1.00 0.00 C ATOM 1536 CD ARG A 104 4.529 -24.633 0.594 1.00 0.00 C ATOM 1537 NE ARG A 104 3.675 -25.116 1.702 1.00 0.00 N ATOM 1538 CZ ARG A 104 3.362 -26.404 1.902 1.00 0.00 C ATOM 1539 NH1 ARG A 104 3.830 -27.344 1.070 1.00 0.00 N ATOM 1540 NH2 ARG A 104 2.580 -26.751 2.933 1.00 0.00 N ATOM 0 H ARG A 104 2.412 -20.253 -1.373 1.00 0.00 H new ATOM 0 HA ARG A 104 3.886 -22.512 -2.178 1.00 0.00 H new ATOM 0 HB2 ARG A 104 2.856 -22.812 0.430 1.00 0.00 H new ATOM 0 HB3 ARG A 104 1.700 -23.643 -0.592 1.00 0.00 H new ATOM 0 HG2 ARG A 104 3.131 -25.378 -0.870 1.00 0.00 H new ATOM 0 HG3 ARG A 104 4.351 -24.307 -1.531 1.00 0.00 H new ATOM 0 HD2 ARG A 104 5.340 -25.339 0.414 1.00 0.00 H new ATOM 0 HD3 ARG A 104 4.989 -23.683 0.866 1.00 0.00 H new ATOM 0 HE ARG A 104 3.301 -24.426 2.354 1.00 0.00 H new ATOM 0 HH11 ARG A 104 4.424 -27.080 0.284 1.00 0.00 H new ATOM 0 HH12 ARG A 104 3.592 -28.324 1.222 1.00 0.00 H new ATOM 0 HH21 ARG A 104 2.223 -26.035 3.566 1.00 0.00 H new ATOM 0 HH22 ARG A 104 2.342 -27.731 3.085 1.00 0.00 H new ATOM 1554 N GLU A 105 1.918 -23.128 -3.638 1.00 0.00 N ATOM 1555 CA GLU A 105 0.876 -23.260 -4.641 1.00 0.00 C ATOM 1556 C GLU A 105 -0.002 -24.476 -4.339 1.00 0.00 C ATOM 1557 O GLU A 105 0.409 -25.377 -3.610 1.00 0.00 O ATOM 1558 CB GLU A 105 1.476 -23.353 -6.046 1.00 0.00 C ATOM 1559 CG GLU A 105 0.666 -22.524 -7.044 1.00 0.00 C ATOM 1560 CD GLU A 105 -0.421 -23.373 -7.708 1.00 0.00 C ATOM 1561 OE1 GLU A 105 -0.049 -24.195 -8.573 1.00 0.00 O ATOM 1562 OE2 GLU A 105 -1.598 -23.180 -7.335 1.00 0.00 O ATOM 0 H GLU A 105 2.729 -23.729 -3.784 1.00 0.00 H new ATOM 0 HA GLU A 105 0.251 -22.368 -4.606 1.00 0.00 H new ATOM 0 HB2 GLU A 105 2.508 -23.002 -6.029 1.00 0.00 H new ATOM 0 HB3 GLU A 105 1.499 -24.394 -6.367 1.00 0.00 H new ATOM 0 HG2 GLU A 105 0.209 -21.677 -6.532 1.00 0.00 H new ATOM 0 HG3 GLU A 105 1.330 -22.116 -7.806 1.00 0.00 H new