USER MOD reduce.3.24.130724 H: found=0, std=0, add=784, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 785 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 48 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 2.1: A 11 LYS NZ :NH3+ -142:sc= 0.159 (180deg=-1.18) USER MOD Set 2.2: A 79 TYR OH : rot 30:sc= 0.424 USER MOD Single : A 16 GLN : amide:sc= -0.331 X(o=-0.33,f=-0.69) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= -0.12 X(o=-0.12,f=-0.016) USER MOD Single : A 23 SER OG : rot -138:sc= -1.68 USER MOD Single : A 24 MET CE :methyl -109:sc= -0.953 (180deg=-5.39!) USER MOD Single : A 29 GLN : amide:sc= -0.264 K(o=-0.26,f=-1.7!) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= -1.34! USER MOD Single : A 42 HIS : no HD1:sc= -0.885 K(o=-0.89,f=-0.046) USER MOD Single : A 45 GLN : amide:sc= -1.26 K(o=-1.3,f=-0.0054) USER MOD Single : A 51 SER OG : rot 65:sc= 0.0528 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot -110:sc= -0.16 USER MOD Single : A 66 GLN : amide:sc= -0.0404 K(o=-0.04,f=-2.4) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.221) USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.0365 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 GLN : amide:sc= -0.0964 X(o=-0.096,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 8 -6.490 8.039 -6.973 1.00 0.00 N ATOM 2 CA ALA A 8 -6.076 8.369 -5.615 1.00 0.00 C ATOM 3 C ALA A 8 -6.895 9.529 -5.059 1.00 0.00 C ATOM 4 O ALA A 8 -7.231 10.467 -5.781 1.00 0.00 O ATOM 5 CB ALA A 8 -4.593 8.707 -5.585 1.00 0.00 C ATOM 0 HA ALA A 8 -6.253 7.498 -4.984 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -4.296 8.952 -4.565 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -4.017 7.850 -5.935 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -4.401 9.562 -6.234 1.00 0.00 H new ATOM 11 N ASP A 9 -7.213 9.457 -3.770 1.00 0.00 N ATOM 12 CA ASP A 9 -7.992 10.502 -3.115 1.00 0.00 C ATOM 13 C ASP A 9 -8.047 10.276 -1.609 1.00 0.00 C ATOM 14 O ASP A 9 -7.892 11.213 -0.824 1.00 0.00 O ATOM 15 CB ASP A 9 -9.410 10.546 -3.689 1.00 0.00 C ATOM 16 CG ASP A 9 -10.231 11.681 -3.112 1.00 0.00 C ATOM 17 OD1 ASP A 9 -9.928 12.852 -3.425 1.00 0.00 O ATOM 18 OD2 ASP A 9 -11.177 11.401 -2.345 1.00 0.00 O ATOM 0 H ASP A 9 -6.943 8.686 -3.159 1.00 0.00 H new ATOM 0 HA ASP A 9 -7.502 11.457 -3.303 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -9.357 10.653 -4.772 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -9.911 9.599 -3.486 1.00 0.00 H new ATOM 23 N ARG A 10 -8.268 9.028 -1.208 1.00 0.00 N ATOM 24 CA ARG A 10 -8.342 8.680 0.205 1.00 0.00 C ATOM 25 C ARG A 10 -8.009 7.207 0.421 1.00 0.00 C ATOM 26 O ARG A 10 -8.146 6.391 -0.489 1.00 0.00 O ATOM 27 CB ARG A 10 -9.736 8.986 0.756 1.00 0.00 C ATOM 28 CG ARG A 10 -10.837 8.150 0.123 1.00 0.00 C ATOM 29 CD ARG A 10 -11.505 8.888 -1.026 1.00 0.00 C ATOM 30 NE ARG A 10 -12.793 8.297 -1.381 1.00 0.00 N ATOM 31 CZ ARG A 10 -13.422 8.526 -2.531 1.00 0.00 C ATOM 32 NH1 ARG A 10 -12.886 9.332 -3.439 1.00 0.00 N ATOM 33 NH2 ARG A 10 -14.590 7.948 -2.774 1.00 0.00 N ATOM 0 H ARG A 10 -8.399 8.241 -1.843 1.00 0.00 H new ATOM 0 HA ARG A 10 -7.608 9.282 0.740 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -9.737 8.818 1.833 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -9.956 10.042 0.598 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -10.419 7.211 -0.240 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -11.582 7.897 0.877 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -11.649 9.933 -0.751 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -10.848 8.875 -1.896 1.00 0.00 H new ATOM 0 HE ARG A 10 -13.236 7.672 -0.708 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -11.988 9.779 -3.257 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -13.372 9.504 -4.319 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -15.006 7.328 -2.079 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -15.072 8.123 -3.655 1.00 0.00 H new ATOM 47 N LYS A 11 -7.570 6.875 1.630 1.00 0.00 N ATOM 48 CA LYS A 11 -7.219 5.497 1.960 1.00 0.00 C ATOM 49 C LYS A 11 -7.454 5.213 3.438 1.00 0.00 C ATOM 50 O LYS A 11 -7.589 6.132 4.241 1.00 0.00 O ATOM 51 CB LYS A 11 -5.756 5.223 1.603 1.00 0.00 C ATOM 52 CG LYS A 11 -4.772 6.137 2.316 1.00 0.00 C ATOM 53 CD LYS A 11 -4.596 7.453 1.576 1.00 0.00 C ATOM 54 CE LYS A 11 -3.131 7.844 1.472 1.00 0.00 C ATOM 55 NZ LYS A 11 -2.415 7.051 0.435 1.00 0.00 N ATOM 0 H LYS A 11 -7.449 7.538 2.396 1.00 0.00 H new ATOM 0 HA LYS A 11 -7.860 4.836 1.376 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -5.519 4.187 1.847 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -5.627 5.334 0.526 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -5.124 6.332 3.329 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -3.808 5.637 2.405 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -5.023 7.369 0.577 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -5.147 8.239 2.093 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -3.055 8.905 1.234 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -2.647 7.699 2.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -1.455 6.831 0.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -2.931 6.166 0.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -2.358 7.602 -0.445 1.00 0.00 H new ATOM 69 N LEU A 12 -7.521 3.933 3.791 1.00 0.00 N ATOM 70 CA LEU A 12 -7.762 3.535 5.164 1.00 0.00 C ATOM 71 C LEU A 12 -6.490 3.416 5.962 1.00 0.00 C ATOM 72 O LEU A 12 -5.451 2.971 5.472 1.00 0.00 O ATOM 73 CB LEU A 12 -8.513 2.218 5.194 1.00 0.00 C ATOM 74 CG LEU A 12 -9.935 2.367 4.710 1.00 0.00 C ATOM 75 CD1 LEU A 12 -10.160 1.583 3.425 1.00 0.00 C ATOM 76 CD2 LEU A 12 -10.934 1.956 5.784 1.00 0.00 C ATOM 0 H LEU A 12 -7.411 3.156 3.140 1.00 0.00 H new ATOM 0 HA LEU A 12 -8.362 4.318 5.627 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -7.993 1.490 4.572 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -8.515 1.825 6.211 1.00 0.00 H new ATOM 0 HG LEU A 12 -10.100 3.422 4.493 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -11.192 1.708 3.099 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -9.487 1.953 2.651 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -9.961 0.526 3.604 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -11.948 2.076 5.403 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -10.769 0.913 6.055 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -10.801 2.585 6.664 1.00 0.00 H new ATOM 88 N CYS A 13 -6.604 3.834 7.203 1.00 0.00 N ATOM 89 CA CYS A 13 -5.485 3.807 8.136 1.00 0.00 C ATOM 90 C CYS A 13 -5.852 3.061 9.413 1.00 0.00 C ATOM 91 O CYS A 13 -6.959 3.204 9.933 1.00 0.00 O ATOM 92 CB CYS A 13 -5.042 5.231 8.473 1.00 0.00 C ATOM 93 SG CYS A 13 -4.005 6.013 7.195 1.00 0.00 S ATOM 0 H CYS A 13 -7.469 4.202 7.599 1.00 0.00 H new ATOM 0 HA CYS A 13 -4.661 3.279 7.657 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -5.927 5.846 8.633 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -4.490 5.215 9.413 1.00 0.00 H new ATOM 98 N ALA A 14 -4.913 2.265 9.912 1.00 0.00 N ATOM 99 CA ALA A 14 -5.124 1.490 11.129 1.00 0.00 C ATOM 100 C ALA A 14 -5.258 2.398 12.349 1.00 0.00 C ATOM 101 O ALA A 14 -4.363 2.457 13.193 1.00 0.00 O ATOM 102 CB ALA A 14 -3.984 0.503 11.326 1.00 0.00 C ATOM 0 H ALA A 14 -3.993 2.139 9.490 1.00 0.00 H new ATOM 0 HA ALA A 14 -6.057 0.938 11.020 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -4.152 -0.070 12.238 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -3.939 -0.175 10.474 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -3.042 1.046 11.408 1.00 0.00 H new ATOM 108 N ASP A 15 -6.384 3.098 12.439 1.00 0.00 N ATOM 109 CA ASP A 15 -6.643 3.998 13.559 1.00 0.00 C ATOM 110 C ASP A 15 -5.510 5.007 13.731 1.00 0.00 C ATOM 111 O ASP A 15 -4.489 4.936 13.048 1.00 0.00 O ATOM 112 CB ASP A 15 -6.829 3.196 14.849 1.00 0.00 C ATOM 113 CG ASP A 15 -8.053 3.634 15.629 1.00 0.00 C ATOM 114 OD1 ASP A 15 -7.923 4.542 16.477 1.00 0.00 O ATOM 115 OD2 ASP A 15 -9.141 3.069 15.393 1.00 0.00 O ATOM 0 H ASP A 15 -7.134 3.060 11.749 1.00 0.00 H new ATOM 0 HA ASP A 15 -7.559 4.548 13.343 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -6.916 2.137 14.606 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -5.943 3.308 15.474 1.00 0.00 H new ATOM 120 N GLN A 16 -5.701 5.946 14.654 1.00 0.00 N ATOM 121 CA GLN A 16 -4.702 6.974 14.926 1.00 0.00 C ATOM 122 C GLN A 16 -4.370 7.766 13.660 1.00 0.00 C ATOM 123 O GLN A 16 -4.985 8.796 13.387 1.00 0.00 O ATOM 124 CB GLN A 16 -3.437 6.339 15.517 1.00 0.00 C ATOM 125 CG GLN A 16 -2.295 7.322 15.719 1.00 0.00 C ATOM 126 CD GLN A 16 -1.255 6.815 16.698 1.00 0.00 C ATOM 127 OE1 GLN A 16 -1.590 6.238 17.733 1.00 0.00 O ATOM 128 NE2 GLN A 16 0.016 7.027 16.375 1.00 0.00 N ATOM 0 H GLN A 16 -6.542 6.016 15.228 1.00 0.00 H new ATOM 0 HA GLN A 16 -5.116 7.671 15.655 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -3.685 5.882 16.475 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -3.102 5.538 14.859 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -1.818 7.521 14.759 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -2.696 8.270 16.079 1.00 0.00 H new ATOM 0 HE21 GLN A 16 0.248 7.510 15.507 1.00 0.00 H new ATOM 0 HE22 GLN A 16 0.760 6.707 16.995 1.00 0.00 H new ATOM 137 N GLU A 17 -3.395 7.285 12.889 1.00 0.00 N ATOM 138 CA GLU A 17 -2.996 7.957 11.660 1.00 0.00 C ATOM 139 C GLU A 17 -2.038 7.087 10.849 1.00 0.00 C ATOM 140 O GLU A 17 -0.963 7.534 10.449 1.00 0.00 O ATOM 141 CB GLU A 17 -2.346 9.307 11.981 1.00 0.00 C ATOM 142 CG GLU A 17 -2.884 10.454 11.141 1.00 0.00 C ATOM 143 CD GLU A 17 -3.253 11.665 11.976 1.00 0.00 C ATOM 144 OE1 GLU A 17 -3.626 11.484 13.154 1.00 0.00 O ATOM 145 OE2 GLU A 17 -3.168 12.796 11.452 1.00 0.00 O ATOM 0 H GLU A 17 -2.870 6.435 13.096 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.889 8.129 11.060 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -2.502 9.535 13.035 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.270 9.229 11.828 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.135 10.741 10.402 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -3.762 10.116 10.590 1.00 0.00 H new ATOM 152 N CYS A 18 -2.438 5.842 10.609 1.00 0.00 N ATOM 153 CA CYS A 18 -1.615 4.908 9.846 1.00 0.00 C ATOM 154 C CYS A 18 -0.322 4.590 10.590 1.00 0.00 C ATOM 155 O CYS A 18 0.737 4.438 9.980 1.00 0.00 O ATOM 156 CB CYS A 18 -1.299 5.486 8.461 1.00 0.00 C ATOM 157 SG CYS A 18 -2.354 4.834 7.126 1.00 0.00 S ATOM 0 H CYS A 18 -3.326 5.456 10.931 1.00 0.00 H new ATOM 0 HA CYS A 18 -2.177 3.982 9.723 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -1.406 6.570 8.498 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -0.257 5.277 8.221 1.00 0.00 H new ATOM 162 N SER A 19 -0.415 4.490 11.912 1.00 0.00 N ATOM 163 CA SER A 19 0.748 4.189 12.739 1.00 0.00 C ATOM 164 C SER A 19 1.078 2.700 12.694 1.00 0.00 C ATOM 165 O SER A 19 2.243 2.309 12.779 1.00 0.00 O ATOM 166 CB SER A 19 0.499 4.624 14.185 1.00 0.00 C ATOM 167 OG SER A 19 -0.664 4.008 14.710 1.00 0.00 O ATOM 0 H SER A 19 -1.283 4.613 12.433 1.00 0.00 H new ATOM 0 HA SER A 19 1.598 4.743 12.341 1.00 0.00 H new ATOM 0 HB2 SER A 19 1.361 4.364 14.800 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.391 5.708 14.229 1.00 0.00 H new ATOM 0 HG SER A 19 -0.800 4.301 15.635 1.00 0.00 H new ATOM 173 N HIS A 20 0.045 1.875 12.559 1.00 0.00 N ATOM 174 CA HIS A 20 0.224 0.429 12.500 1.00 0.00 C ATOM 175 C HIS A 20 -0.141 -0.109 11.119 1.00 0.00 C ATOM 176 O HIS A 20 -0.889 0.525 10.375 1.00 0.00 O ATOM 177 CB HIS A 20 -0.631 -0.255 13.569 1.00 0.00 C ATOM 178 CG HIS A 20 -0.083 -0.109 14.955 1.00 0.00 C ATOM 179 ND1 HIS A 20 -0.563 -0.822 16.034 1.00 0.00 N ATOM 180 CD2 HIS A 20 0.912 0.673 15.437 1.00 0.00 C ATOM 181 CE1 HIS A 20 0.112 -0.483 17.119 1.00 0.00 C ATOM 182 NE2 HIS A 20 1.013 0.421 16.784 1.00 0.00 N ATOM 0 H HIS A 20 -0.925 2.183 12.488 1.00 0.00 H new ATOM 0 HA HIS A 20 1.275 0.210 12.689 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -1.638 0.161 13.539 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -0.717 -1.315 13.331 1.00 0.00 H new ATOM 0 HD2 HIS A 20 1.514 1.366 14.868 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -0.047 -0.879 18.111 1.00 0.00 H new ATOM 0 HE2 HIS A 20 1.677 0.861 17.421 1.00 0.00 H new ATOM 191 N PRO A 21 0.387 -1.291 10.755 1.00 0.00 N ATOM 192 CA PRO A 21 0.112 -1.912 9.454 1.00 0.00 C ATOM 193 C PRO A 21 -1.354 -2.304 9.300 1.00 0.00 C ATOM 194 O PRO A 21 -2.192 -1.953 10.129 1.00 0.00 O ATOM 195 CB PRO A 21 1.003 -3.157 9.452 1.00 0.00 C ATOM 196 CG PRO A 21 1.258 -3.448 10.890 1.00 0.00 C ATOM 197 CD PRO A 21 1.288 -2.114 11.580 1.00 0.00 C ATOM 0 HA PRO A 21 0.314 -1.230 8.628 1.00 0.00 H new ATOM 0 HB2 PRO A 21 0.509 -3.995 8.961 1.00 0.00 H new ATOM 0 HB3 PRO A 21 1.934 -2.976 8.914 1.00 0.00 H new ATOM 0 HG2 PRO A 21 0.476 -4.085 11.304 1.00 0.00 H new ATOM 0 HG3 PRO A 21 2.202 -3.977 11.020 1.00 0.00 H new ATOM 0 HD2 PRO A 21 0.939 -2.185 12.610 1.00 0.00 H new ATOM 0 HD3 PRO A 21 2.296 -1.700 11.613 1.00 0.00 H new ATOM 205 N ILE A 22 -1.655 -3.034 8.230 1.00 0.00 N ATOM 206 CA ILE A 22 -3.020 -3.473 7.965 1.00 0.00 C ATOM 207 C ILE A 22 -3.143 -4.984 8.087 1.00 0.00 C ATOM 208 O ILE A 22 -4.085 -5.503 8.685 1.00 0.00 O ATOM 209 CB ILE A 22 -3.487 -3.036 6.551 1.00 0.00 C ATOM 210 CG1 ILE A 22 -4.905 -2.466 6.618 1.00 0.00 C ATOM 211 CG2 ILE A 22 -3.419 -4.191 5.548 1.00 0.00 C ATOM 212 CD1 ILE A 22 -4.997 -1.161 7.376 1.00 0.00 C ATOM 0 H ILE A 22 -0.973 -3.333 7.534 1.00 0.00 H new ATOM 0 HA ILE A 22 -3.658 -3.000 8.712 1.00 0.00 H new ATOM 0 HB ILE A 22 -2.807 -2.260 6.200 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -5.275 -2.315 5.604 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -5.560 -3.198 7.090 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -3.754 -3.844 4.570 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -2.392 -4.548 5.474 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -4.063 -5.004 5.885 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -6.031 -0.816 7.383 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -4.658 -1.311 8.401 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -4.369 -0.414 6.892 1.00 0.00 H new ATOM 224 N SER A 23 -2.198 -5.681 7.481 1.00 0.00 N ATOM 225 CA SER A 23 -2.203 -7.129 7.480 1.00 0.00 C ATOM 226 C SER A 23 -0.958 -7.667 6.798 1.00 0.00 C ATOM 227 O SER A 23 -0.007 -6.932 6.533 1.00 0.00 O ATOM 228 CB SER A 23 -3.457 -7.638 6.760 1.00 0.00 C ATOM 229 OG SER A 23 -3.425 -7.306 5.383 1.00 0.00 O ATOM 0 H SER A 23 -1.414 -5.262 6.981 1.00 0.00 H new ATOM 0 HA SER A 23 -2.209 -7.481 8.511 1.00 0.00 H new ATOM 0 HB2 SER A 23 -3.532 -8.719 6.875 1.00 0.00 H new ATOM 0 HB3 SER A 23 -4.345 -7.206 7.221 1.00 0.00 H new ATOM 0 HG SER A 23 -4.313 -7.004 5.099 1.00 0.00 H new ATOM 235 N MET A 24 -0.980 -8.953 6.519 1.00 0.00 N ATOM 236 CA MET A 24 0.141 -9.617 5.863 1.00 0.00 C ATOM 237 C MET A 24 -0.328 -10.395 4.639 1.00 0.00 C ATOM 238 O MET A 24 -1.284 -11.169 4.713 1.00 0.00 O ATOM 239 CB MET A 24 0.850 -10.558 6.838 1.00 0.00 C ATOM 240 CG MET A 24 2.364 -10.505 6.740 1.00 0.00 C ATOM 241 SD MET A 24 3.150 -12.032 7.291 1.00 0.00 S ATOM 242 CE MET A 24 2.501 -13.197 6.095 1.00 0.00 C ATOM 0 H MET A 24 -1.764 -9.568 6.735 1.00 0.00 H new ATOM 0 HA MET A 24 0.843 -8.849 5.537 1.00 0.00 H new ATOM 0 HB2 MET A 24 0.551 -10.306 7.855 1.00 0.00 H new ATOM 0 HB3 MET A 24 0.518 -11.579 6.651 1.00 0.00 H new ATOM 0 HG2 MET A 24 2.651 -10.306 5.707 1.00 0.00 H new ATOM 0 HG3 MET A 24 2.734 -9.674 7.340 1.00 0.00 H new ATOM 0 HE1 MET A 24 1.785 -13.858 6.583 1.00 0.00 H new ATOM 0 HE2 MET A 24 2.004 -12.654 5.291 1.00 0.00 H new ATOM 0 HE3 MET A 24 3.318 -13.788 5.682 1.00 0.00 H new ATOM 252 N ALA A 25 0.347 -10.187 3.515 1.00 0.00 N ATOM 253 CA ALA A 25 -0.008 -10.873 2.279 1.00 0.00 C ATOM 254 C ALA A 25 1.225 -11.386 1.552 1.00 0.00 C ATOM 255 O ALA A 25 2.321 -10.866 1.731 1.00 0.00 O ATOM 256 CB ALA A 25 -0.816 -9.953 1.376 1.00 0.00 C ATOM 0 H ALA A 25 1.140 -9.551 3.434 1.00 0.00 H new ATOM 0 HA ALA A 25 -0.620 -11.736 2.541 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -1.074 -10.480 0.457 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -1.729 -9.650 1.889 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -0.225 -9.069 1.134 1.00 0.00 H new ATOM 262 N VAL A 26 1.034 -12.414 0.735 1.00 0.00 N ATOM 263 CA VAL A 26 2.132 -13.003 -0.019 1.00 0.00 C ATOM 264 C VAL A 26 2.011 -12.689 -1.506 1.00 0.00 C ATOM 265 O VAL A 26 0.915 -12.488 -2.020 1.00 0.00 O ATOM 266 CB VAL A 26 2.179 -14.530 0.169 1.00 0.00 C ATOM 267 CG1 VAL A 26 3.405 -15.119 -0.512 1.00 0.00 C ATOM 268 CG2 VAL A 26 2.156 -14.886 1.648 1.00 0.00 C ATOM 0 H VAL A 26 0.129 -12.857 0.578 1.00 0.00 H new ATOM 0 HA VAL A 26 3.053 -12.565 0.366 1.00 0.00 H new ATOM 0 HB VAL A 26 1.294 -14.962 -0.299 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.418 -16.199 -0.367 1.00 0.00 H new ATOM 0 HG12 VAL A 26 3.371 -14.897 -1.579 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.306 -14.684 -0.080 1.00 0.00 H new ATOM 0 HG21 VAL A 26 2.190 -15.969 1.762 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.020 -14.442 2.143 1.00 0.00 H new ATOM 0 HG23 VAL A 26 1.242 -14.502 2.101 1.00 0.00 H new ATOM 278 N ALA A 27 3.146 -12.651 -2.190 1.00 0.00 N ATOM 279 CA ALA A 27 3.168 -12.364 -3.617 1.00 0.00 C ATOM 280 C ALA A 27 2.565 -13.514 -4.416 1.00 0.00 C ATOM 281 O ALA A 27 2.947 -14.672 -4.242 1.00 0.00 O ATOM 282 CB ALA A 27 4.593 -12.090 -4.076 1.00 0.00 C ATOM 0 H ALA A 27 4.065 -12.816 -1.779 1.00 0.00 H new ATOM 0 HA ALA A 27 2.562 -11.475 -3.795 1.00 0.00 H new ATOM 0 HB1 ALA A 27 4.596 -11.877 -5.145 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.991 -11.233 -3.534 1.00 0.00 H new ATOM 0 HB3 ALA A 27 5.213 -12.964 -3.879 1.00 0.00 H new ATOM 288 N LEU A 28 1.621 -13.187 -5.291 1.00 0.00 N ATOM 289 CA LEU A 28 0.962 -14.191 -6.116 1.00 0.00 C ATOM 290 C LEU A 28 1.707 -14.408 -7.433 1.00 0.00 C ATOM 291 O LEU A 28 1.289 -15.222 -8.253 1.00 0.00 O ATOM 292 CB LEU A 28 -0.482 -13.777 -6.400 1.00 0.00 C ATOM 293 CG LEU A 28 -1.407 -14.915 -6.835 1.00 0.00 C ATOM 294 CD1 LEU A 28 -1.384 -16.041 -5.815 1.00 0.00 C ATOM 295 CD2 LEU A 28 -2.826 -14.400 -7.033 1.00 0.00 C ATOM 0 H LEU A 28 1.295 -12.233 -5.447 1.00 0.00 H new ATOM 0 HA LEU A 28 0.968 -15.130 -5.563 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.895 -13.316 -5.503 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.479 -13.014 -7.178 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.047 -15.308 -7.786 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.048 -16.841 -6.142 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.369 -16.427 -5.722 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.719 -15.664 -4.849 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.472 -15.222 -7.342 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.195 -13.981 -6.097 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.829 -13.627 -7.802 1.00 0.00 H new ATOM 307 N GLN A 29 2.814 -13.680 -7.621 1.00 0.00 N ATOM 308 CA GLN A 29 3.632 -13.785 -8.824 1.00 0.00 C ATOM 309 C GLN A 29 4.570 -12.592 -8.959 1.00 0.00 C ATOM 310 O GLN A 29 4.506 -11.642 -8.178 1.00 0.00 O ATOM 311 CB GLN A 29 2.761 -13.897 -10.076 1.00 0.00 C ATOM 312 CG GLN A 29 2.531 -15.332 -10.504 1.00 0.00 C ATOM 313 CD GLN A 29 3.233 -15.678 -11.802 1.00 0.00 C ATOM 314 OE1 GLN A 29 3.465 -14.812 -12.646 1.00 0.00 O ATOM 315 NE2 GLN A 29 3.576 -16.950 -11.967 1.00 0.00 N ATOM 0 H GLN A 29 3.163 -13.004 -6.942 1.00 0.00 H new ATOM 0 HA GLN A 29 4.229 -14.692 -8.728 1.00 0.00 H new ATOM 0 HB2 GLN A 29 1.799 -13.420 -9.888 1.00 0.00 H new ATOM 0 HB3 GLN A 29 3.234 -13.350 -10.892 1.00 0.00 H new ATOM 0 HG2 GLN A 29 2.880 -16.001 -9.718 1.00 0.00 H new ATOM 0 HG3 GLN A 29 1.461 -15.505 -10.618 1.00 0.00 H new ATOM 0 HE21 GLN A 29 3.364 -17.634 -11.241 1.00 0.00 H new ATOM 0 HE22 GLN A 29 4.052 -17.243 -12.820 1.00 0.00 H new ATOM 324 N ASP A 30 5.440 -12.655 -9.961 1.00 0.00 N ATOM 325 CA ASP A 30 6.401 -11.587 -10.217 1.00 0.00 C ATOM 326 C ASP A 30 5.704 -10.349 -10.770 1.00 0.00 C ATOM 327 O ASP A 30 4.784 -10.453 -11.580 1.00 0.00 O ATOM 328 CB ASP A 30 7.473 -12.064 -11.199 1.00 0.00 C ATOM 329 CG ASP A 30 8.637 -11.097 -11.296 1.00 0.00 C ATOM 330 OD1 ASP A 30 8.835 -10.309 -10.349 1.00 0.00 O ATOM 331 OD2 ASP A 30 9.349 -11.128 -12.322 1.00 0.00 O ATOM 0 H ASP A 30 5.500 -13.438 -10.612 1.00 0.00 H new ATOM 0 HA ASP A 30 6.874 -11.323 -9.271 1.00 0.00 H new ATOM 0 HB2 ASP A 30 7.841 -13.041 -10.885 1.00 0.00 H new ATOM 0 HB3 ASP A 30 7.027 -12.193 -12.185 1.00 0.00 H new ATOM 336 N TYR A 31 6.149 -9.177 -10.328 1.00 0.00 N ATOM 337 CA TYR A 31 5.563 -7.920 -10.783 1.00 0.00 C ATOM 338 C TYR A 31 6.509 -6.749 -10.527 1.00 0.00 C ATOM 339 O TYR A 31 6.393 -6.053 -9.519 1.00 0.00 O ATOM 340 CB TYR A 31 4.225 -7.682 -10.077 1.00 0.00 C ATOM 341 CG TYR A 31 3.624 -6.320 -10.343 1.00 0.00 C ATOM 342 CD1 TYR A 31 3.293 -5.924 -11.632 1.00 0.00 C ATOM 343 CD2 TYR A 31 3.389 -5.430 -9.303 1.00 0.00 C ATOM 344 CE1 TYR A 31 2.745 -4.679 -11.878 1.00 0.00 C ATOM 345 CE2 TYR A 31 2.841 -4.184 -9.540 1.00 0.00 C ATOM 346 CZ TYR A 31 2.521 -3.813 -10.828 1.00 0.00 C ATOM 347 OH TYR A 31 1.975 -2.573 -11.069 1.00 0.00 O ATOM 0 H TYR A 31 6.911 -9.071 -9.658 1.00 0.00 H new ATOM 0 HA TYR A 31 5.395 -7.990 -11.858 1.00 0.00 H new ATOM 0 HB2 TYR A 31 3.517 -8.448 -10.393 1.00 0.00 H new ATOM 0 HB3 TYR A 31 4.366 -7.802 -9.003 1.00 0.00 H new ATOM 0 HD1 TYR A 31 3.467 -6.600 -12.456 1.00 0.00 H new ATOM 0 HD2 TYR A 31 3.639 -5.717 -8.292 1.00 0.00 H new ATOM 0 HE1 TYR A 31 2.494 -4.386 -12.887 1.00 0.00 H new ATOM 0 HE2 TYR A 31 2.664 -3.504 -8.720 1.00 0.00 H new ATOM 0 HH TYR A 31 1.881 -2.087 -10.223 1.00 0.00 H new ATOM 357 N MET A 32 7.449 -6.543 -11.445 1.00 0.00 N ATOM 358 CA MET A 32 8.416 -5.479 -11.331 1.00 0.00 C ATOM 359 C MET A 32 7.750 -4.108 -11.412 1.00 0.00 C ATOM 360 O MET A 32 6.986 -3.832 -12.337 1.00 0.00 O ATOM 361 CB MET A 32 9.479 -5.608 -12.424 1.00 0.00 C ATOM 362 CG MET A 32 8.902 -5.825 -13.813 1.00 0.00 C ATOM 363 SD MET A 32 9.955 -5.157 -15.115 1.00 0.00 S ATOM 364 CE MET A 32 10.933 -6.598 -15.533 1.00 0.00 C ATOM 0 H MET A 32 7.554 -7.113 -12.284 1.00 0.00 H new ATOM 0 HA MET A 32 8.892 -5.567 -10.354 1.00 0.00 H new ATOM 0 HB2 MET A 32 10.092 -4.706 -12.431 1.00 0.00 H new ATOM 0 HB3 MET A 32 10.139 -6.440 -12.180 1.00 0.00 H new ATOM 0 HG2 MET A 32 8.758 -6.893 -13.980 1.00 0.00 H new ATOM 0 HG3 MET A 32 7.919 -5.358 -13.871 1.00 0.00 H new ATOM 0 HE1 MET A 32 11.635 -6.344 -16.327 1.00 0.00 H new ATOM 0 HE2 MET A 32 11.485 -6.931 -14.654 1.00 0.00 H new ATOM 0 HE3 MET A 32 10.275 -7.398 -15.872 1.00 0.00 H new ATOM 374 N ALA A 33 8.044 -3.258 -10.429 1.00 0.00 N ATOM 375 CA ALA A 33 7.485 -1.918 -10.362 1.00 0.00 C ATOM 376 C ALA A 33 7.428 -1.249 -11.737 1.00 0.00 C ATOM 377 O ALA A 33 8.368 -1.354 -12.525 1.00 0.00 O ATOM 378 CB ALA A 33 8.293 -1.064 -9.396 1.00 0.00 C ATOM 0 H ALA A 33 8.676 -3.483 -9.660 1.00 0.00 H new ATOM 0 HA ALA A 33 6.461 -2.007 -10.001 1.00 0.00 H new ATOM 0 HB1 ALA A 33 7.867 -0.062 -9.352 1.00 0.00 H new ATOM 0 HB2 ALA A 33 8.266 -1.513 -8.403 1.00 0.00 H new ATOM 0 HB3 ALA A 33 9.326 -1.004 -9.739 1.00 0.00 H new ATOM 384 N PRO A 34 6.321 -0.551 -12.045 1.00 0.00 N ATOM 385 CA PRO A 34 6.151 0.133 -13.332 1.00 0.00 C ATOM 386 C PRO A 34 7.111 1.308 -13.502 1.00 0.00 C ATOM 387 O PRO A 34 7.660 1.517 -14.584 1.00 0.00 O ATOM 388 CB PRO A 34 4.703 0.630 -13.287 1.00 0.00 C ATOM 389 CG PRO A 34 4.379 0.729 -11.837 1.00 0.00 C ATOM 390 CD PRO A 34 5.148 -0.374 -11.168 1.00 0.00 C ATOM 0 HA PRO A 34 6.363 -0.530 -14.171 1.00 0.00 H new ATOM 0 HB2 PRO A 34 4.601 1.596 -13.782 1.00 0.00 H new ATOM 0 HB3 PRO A 34 4.032 -0.062 -13.796 1.00 0.00 H new ATOM 0 HG2 PRO A 34 4.665 1.702 -11.438 1.00 0.00 H new ATOM 0 HG3 PRO A 34 3.308 0.617 -11.667 1.00 0.00 H new ATOM 0 HD2 PRO A 34 5.441 -0.102 -10.154 1.00 0.00 H new ATOM 0 HD3 PRO A 34 4.559 -1.288 -11.095 1.00 0.00 H new ATOM 398 N ASP A 35 7.310 2.076 -12.433 1.00 0.00 N ATOM 399 CA ASP A 35 8.204 3.228 -12.484 1.00 0.00 C ATOM 400 C ASP A 35 8.623 3.669 -11.083 1.00 0.00 C ATOM 401 O ASP A 35 8.160 3.122 -10.084 1.00 0.00 O ATOM 402 CB ASP A 35 7.529 4.389 -13.215 1.00 0.00 C ATOM 403 CG ASP A 35 8.497 5.164 -14.087 1.00 0.00 C ATOM 404 OD1 ASP A 35 9.258 4.525 -14.845 1.00 0.00 O ATOM 405 OD2 ASP A 35 8.497 6.411 -14.013 1.00 0.00 O ATOM 0 H ASP A 35 6.867 1.922 -11.527 1.00 0.00 H new ATOM 0 HA ASP A 35 9.100 2.931 -13.029 1.00 0.00 H new ATOM 0 HB2 ASP A 35 6.717 4.004 -13.832 1.00 0.00 H new ATOM 0 HB3 ASP A 35 7.082 5.064 -12.485 1.00 0.00 H new ATOM 410 N CYS A 36 9.515 4.657 -11.029 1.00 0.00 N ATOM 411 CA CYS A 36 10.027 5.189 -9.775 1.00 0.00 C ATOM 412 C CYS A 36 8.943 5.278 -8.701 1.00 0.00 C ATOM 413 O CYS A 36 7.772 5.511 -9.004 1.00 0.00 O ATOM 414 CB CYS A 36 10.642 6.571 -10.004 1.00 0.00 C ATOM 415 SG CYS A 36 11.693 7.157 -8.635 1.00 0.00 S ATOM 0 H CYS A 36 9.901 5.109 -11.857 1.00 0.00 H new ATOM 0 HA CYS A 36 10.791 4.498 -9.417 1.00 0.00 H new ATOM 0 HB2 CYS A 36 11.236 6.545 -10.918 1.00 0.00 H new ATOM 0 HB3 CYS A 36 9.840 7.291 -10.165 1.00 0.00 H new ATOM 420 N ARG A 37 9.352 5.098 -7.443 1.00 0.00 N ATOM 421 CA ARG A 37 8.440 5.162 -6.298 1.00 0.00 C ATOM 422 C ARG A 37 7.720 3.833 -6.065 1.00 0.00 C ATOM 423 O ARG A 37 7.343 3.519 -4.937 1.00 0.00 O ATOM 424 CB ARG A 37 7.414 6.284 -6.479 1.00 0.00 C ATOM 425 CG ARG A 37 6.849 6.808 -5.168 1.00 0.00 C ATOM 426 CD ARG A 37 5.414 7.282 -5.327 1.00 0.00 C ATOM 427 NE ARG A 37 4.578 6.286 -5.993 1.00 0.00 N ATOM 428 CZ ARG A 37 4.205 5.137 -5.435 1.00 0.00 C ATOM 429 NH1 ARG A 37 4.577 4.840 -4.196 1.00 0.00 N ATOM 430 NH2 ARG A 37 3.454 4.284 -6.116 1.00 0.00 N ATOM 0 H ARG A 37 10.321 4.904 -7.190 1.00 0.00 H new ATOM 0 HA ARG A 37 9.050 5.373 -5.419 1.00 0.00 H new ATOM 0 HB2 ARG A 37 7.880 7.108 -7.019 1.00 0.00 H new ATOM 0 HB3 ARG A 37 6.595 5.920 -7.099 1.00 0.00 H new ATOM 0 HG2 ARG A 37 6.892 6.023 -4.413 1.00 0.00 H new ATOM 0 HG3 ARG A 37 7.467 7.631 -4.808 1.00 0.00 H new ATOM 0 HD2 ARG A 37 4.996 7.508 -4.346 1.00 0.00 H new ATOM 0 HD3 ARG A 37 5.400 8.209 -5.901 1.00 0.00 H new ATOM 0 HE ARG A 37 4.261 6.483 -6.942 1.00 0.00 H new ATOM 0 HH11 ARG A 37 5.152 5.494 -3.666 1.00 0.00 H new ATOM 0 HH12 ARG A 37 4.288 3.958 -3.774 1.00 0.00 H new ATOM 0 HH21 ARG A 37 3.162 4.508 -7.067 1.00 0.00 H new ATOM 0 HH22 ARG A 37 3.168 3.403 -5.689 1.00 0.00 H new ATOM 444 N PHE A 38 7.527 3.057 -7.127 1.00 0.00 N ATOM 445 CA PHE A 38 6.847 1.772 -7.012 1.00 0.00 C ATOM 446 C PHE A 38 7.808 0.678 -6.558 1.00 0.00 C ATOM 447 O PHE A 38 9.025 0.865 -6.556 1.00 0.00 O ATOM 448 CB PHE A 38 6.213 1.382 -8.347 1.00 0.00 C ATOM 449 CG PHE A 38 4.966 2.154 -8.673 1.00 0.00 C ATOM 450 CD1 PHE A 38 3.749 1.797 -8.115 1.00 0.00 C ATOM 451 CD2 PHE A 38 5.011 3.235 -9.538 1.00 0.00 C ATOM 452 CE1 PHE A 38 2.600 2.503 -8.415 1.00 0.00 C ATOM 453 CE2 PHE A 38 3.865 3.945 -9.842 1.00 0.00 C ATOM 454 CZ PHE A 38 2.657 3.578 -9.279 1.00 0.00 C ATOM 0 H PHE A 38 7.830 3.294 -8.072 1.00 0.00 H new ATOM 0 HA PHE A 38 6.065 1.877 -6.260 1.00 0.00 H new ATOM 0 HB2 PHE A 38 6.942 1.534 -9.143 1.00 0.00 H new ATOM 0 HB3 PHE A 38 5.977 0.318 -8.330 1.00 0.00 H new ATOM 0 HD1 PHE A 38 3.698 0.957 -7.438 1.00 0.00 H new ATOM 0 HD2 PHE A 38 5.952 3.526 -9.980 1.00 0.00 H new ATOM 0 HE1 PHE A 38 1.658 2.214 -7.974 1.00 0.00 H new ATOM 0 HE2 PHE A 38 3.913 4.785 -10.519 1.00 0.00 H new ATOM 0 HZ PHE A 38 1.760 4.131 -9.515 1.00 0.00 H new ATOM 464 N LEU A 39 7.249 -0.467 -6.181 1.00 0.00 N ATOM 465 CA LEU A 39 8.045 -1.601 -5.729 1.00 0.00 C ATOM 466 C LEU A 39 7.619 -2.873 -6.454 1.00 0.00 C ATOM 467 O LEU A 39 6.463 -3.010 -6.853 1.00 0.00 O ATOM 468 CB LEU A 39 7.897 -1.785 -4.218 1.00 0.00 C ATOM 469 CG LEU A 39 8.774 -2.885 -3.611 1.00 0.00 C ATOM 470 CD1 LEU A 39 9.553 -2.354 -2.417 1.00 0.00 C ATOM 471 CD2 LEU A 39 7.924 -4.079 -3.206 1.00 0.00 C ATOM 0 H LEU A 39 6.243 -0.634 -6.180 1.00 0.00 H new ATOM 0 HA LEU A 39 9.092 -1.401 -5.959 1.00 0.00 H new ATOM 0 HB2 LEU A 39 8.133 -0.841 -3.727 1.00 0.00 H new ATOM 0 HB3 LEU A 39 6.854 -2.008 -3.995 1.00 0.00 H new ATOM 0 HG LEU A 39 9.489 -3.210 -4.367 1.00 0.00 H new ATOM 0 HD11 LEU A 39 10.169 -3.151 -2.001 1.00 0.00 H new ATOM 0 HD12 LEU A 39 10.192 -1.531 -2.736 1.00 0.00 H new ATOM 0 HD13 LEU A 39 8.857 -1.999 -1.657 1.00 0.00 H new ATOM 0 HD21 LEU A 39 8.562 -4.851 -2.777 1.00 0.00 H new ATOM 0 HD22 LEU A 39 7.186 -3.766 -2.467 1.00 0.00 H new ATOM 0 HD23 LEU A 39 7.414 -4.477 -4.083 1.00 0.00 H new ATOM 483 N THR A 40 8.556 -3.800 -6.630 1.00 0.00 N ATOM 484 CA THR A 40 8.261 -5.052 -7.315 1.00 0.00 C ATOM 485 C THR A 40 7.750 -6.110 -6.345 1.00 0.00 C ATOM 486 O THR A 40 7.972 -6.025 -5.138 1.00 0.00 O ATOM 487 CB THR A 40 9.498 -5.576 -8.044 1.00 0.00 C ATOM 488 OG1 THR A 40 9.216 -6.808 -8.682 1.00 0.00 O ATOM 489 CG2 THR A 40 10.683 -5.800 -7.136 1.00 0.00 C ATOM 0 H THR A 40 9.520 -3.708 -6.310 1.00 0.00 H new ATOM 0 HA THR A 40 7.478 -4.846 -8.044 1.00 0.00 H new ATOM 0 HB THR A 40 9.755 -4.800 -8.765 1.00 0.00 H new ATOM 0 HG1 THR A 40 10.018 -7.128 -9.145 1.00 0.00 H new ATOM 0 HG21 THR A 40 11.524 -6.172 -7.721 1.00 0.00 H new ATOM 0 HG22 THR A 40 10.960 -4.859 -6.660 1.00 0.00 H new ATOM 0 HG23 THR A 40 10.422 -6.531 -6.371 1.00 0.00 H new ATOM 497 N ILE A 41 7.069 -7.110 -6.891 1.00 0.00 N ATOM 498 CA ILE A 41 6.523 -8.200 -6.089 1.00 0.00 C ATOM 499 C ILE A 41 6.853 -9.547 -6.725 1.00 0.00 C ATOM 500 O ILE A 41 6.248 -9.935 -7.722 1.00 0.00 O ATOM 501 CB ILE A 41 4.994 -8.070 -5.930 1.00 0.00 C ATOM 502 CG1 ILE A 41 4.633 -6.711 -5.327 1.00 0.00 C ATOM 503 CG2 ILE A 41 4.449 -9.198 -5.065 1.00 0.00 C ATOM 504 CD1 ILE A 41 3.278 -6.197 -5.761 1.00 0.00 C ATOM 0 H ILE A 41 6.881 -7.189 -7.890 1.00 0.00 H new ATOM 0 HA ILE A 41 6.981 -8.141 -5.102 1.00 0.00 H new ATOM 0 HB ILE A 41 4.538 -8.142 -6.917 1.00 0.00 H new ATOM 0 HG12 ILE A 41 4.652 -6.789 -4.240 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.395 -5.984 -5.608 1.00 0.00 H new ATOM 0 HG21 ILE A 41 3.369 -9.090 -4.964 1.00 0.00 H new ATOM 0 HG22 ILE A 41 4.676 -10.157 -5.532 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.912 -9.156 -4.079 1.00 0.00 H new ATOM 0 HD11 ILE A 41 3.089 -5.230 -5.295 1.00 0.00 H new ATOM 0 HD12 ILE A 41 3.261 -6.087 -6.845 1.00 0.00 H new ATOM 0 HD13 ILE A 41 2.506 -6.904 -5.456 1.00 0.00 H new ATOM 516 N HIS A 42 7.826 -10.248 -6.149 1.00 0.00 N ATOM 517 CA HIS A 42 8.246 -11.546 -6.671 1.00 0.00 C ATOM 518 C HIS A 42 7.575 -12.695 -5.924 1.00 0.00 C ATOM 519 O HIS A 42 7.238 -12.576 -4.748 1.00 0.00 O ATOM 520 CB HIS A 42 9.766 -11.684 -6.580 1.00 0.00 C ATOM 521 CG HIS A 42 10.351 -12.574 -7.631 1.00 0.00 C ATOM 522 ND1 HIS A 42 11.247 -12.129 -8.581 1.00 0.00 N ATOM 523 CD2 HIS A 42 10.164 -13.892 -7.881 1.00 0.00 C ATOM 524 CE1 HIS A 42 11.586 -13.135 -9.369 1.00 0.00 C ATOM 525 NE2 HIS A 42 10.943 -14.214 -8.965 1.00 0.00 N ATOM 0 H HIS A 42 8.338 -9.940 -5.322 1.00 0.00 H new ATOM 0 HA HIS A 42 7.938 -11.598 -7.715 1.00 0.00 H new ATOM 0 HB2 HIS A 42 10.218 -10.695 -6.661 1.00 0.00 H new ATOM 0 HB3 HIS A 42 10.029 -12.075 -5.597 1.00 0.00 H new ATOM 0 HD2 HIS A 42 9.522 -14.564 -7.331 1.00 0.00 H new ATOM 0 HE1 HIS A 42 12.272 -13.083 -10.201 1.00 0.00 H new ATOM 0 HE2 HIS A 42 11.013 -15.139 -9.390 1.00 0.00 H new ATOM 534 N ARG A 43 7.386 -13.811 -6.627 1.00 0.00 N ATOM 535 CA ARG A 43 6.758 -14.998 -6.054 1.00 0.00 C ATOM 536 C ARG A 43 7.298 -15.318 -4.664 1.00 0.00 C ATOM 537 O ARG A 43 8.371 -14.856 -4.274 1.00 0.00 O ATOM 538 CB ARG A 43 6.983 -16.206 -6.966 1.00 0.00 C ATOM 539 CG ARG A 43 5.854 -16.454 -7.950 1.00 0.00 C ATOM 540 CD ARG A 43 4.518 -16.634 -7.247 1.00 0.00 C ATOM 541 NE ARG A 43 4.548 -17.737 -6.288 1.00 0.00 N ATOM 542 CZ ARG A 43 3.522 -18.556 -6.056 1.00 0.00 C ATOM 543 NH1 ARG A 43 2.371 -18.394 -6.697 1.00 0.00 N ATOM 544 NH2 ARG A 43 3.647 -19.539 -5.176 1.00 0.00 N ATOM 0 H ARG A 43 7.662 -13.917 -7.603 1.00 0.00 H new ATOM 0 HA ARG A 43 5.693 -14.785 -5.966 1.00 0.00 H new ATOM 0 HB2 ARG A 43 7.910 -16.062 -7.521 1.00 0.00 H new ATOM 0 HB3 ARG A 43 7.116 -17.095 -6.349 1.00 0.00 H new ATOM 0 HG2 ARG A 43 5.788 -15.617 -8.645 1.00 0.00 H new ATOM 0 HG3 ARG A 43 6.076 -17.343 -8.541 1.00 0.00 H new ATOM 0 HD2 ARG A 43 4.253 -15.712 -6.730 1.00 0.00 H new ATOM 0 HD3 ARG A 43 3.740 -16.819 -7.988 1.00 0.00 H new ATOM 0 HE ARG A 43 5.409 -17.890 -5.763 1.00 0.00 H new ATOM 0 HH11 ARG A 43 2.266 -17.638 -7.374 1.00 0.00 H new ATOM 0 HH12 ARG A 43 1.591 -19.026 -6.513 1.00 0.00 H new ATOM 0 HH21 ARG A 43 4.527 -19.668 -4.677 1.00 0.00 H new ATOM 0 HH22 ARG A 43 2.863 -20.166 -4.997 1.00 0.00 H new ATOM 558 N GLY A 44 6.540 -16.131 -3.937 1.00 0.00 N ATOM 559 CA GLY A 44 6.928 -16.547 -2.596 1.00 0.00 C ATOM 560 C GLY A 44 7.545 -15.440 -1.759 1.00 0.00 C ATOM 561 O GLY A 44 8.438 -15.695 -0.952 1.00 0.00 O ATOM 0 H GLY A 44 5.651 -16.516 -4.256 1.00 0.00 H new ATOM 0 HA2 GLY A 44 6.050 -16.933 -2.078 1.00 0.00 H new ATOM 0 HA3 GLY A 44 7.639 -17.369 -2.674 1.00 0.00 H new ATOM 565 N GLN A 45 7.068 -14.213 -1.938 1.00 0.00 N ATOM 566 CA GLN A 45 7.584 -13.081 -1.177 1.00 0.00 C ATOM 567 C GLN A 45 6.469 -12.431 -0.367 1.00 0.00 C ATOM 568 O GLN A 45 5.521 -11.881 -0.929 1.00 0.00 O ATOM 569 CB GLN A 45 8.223 -12.054 -2.111 1.00 0.00 C ATOM 570 CG GLN A 45 9.400 -11.319 -1.489 1.00 0.00 C ATOM 571 CD GLN A 45 10.343 -10.744 -2.527 1.00 0.00 C ATOM 572 OE1 GLN A 45 11.381 -11.331 -2.834 1.00 0.00 O ATOM 573 NE2 GLN A 45 9.986 -9.586 -3.074 1.00 0.00 N ATOM 0 H GLN A 45 6.329 -13.977 -2.600 1.00 0.00 H new ATOM 0 HA GLN A 45 8.346 -13.449 -0.490 1.00 0.00 H new ATOM 0 HB2 GLN A 45 8.557 -12.558 -3.018 1.00 0.00 H new ATOM 0 HB3 GLN A 45 7.468 -11.327 -2.410 1.00 0.00 H new ATOM 0 HG2 GLN A 45 9.027 -10.513 -0.856 1.00 0.00 H new ATOM 0 HG3 GLN A 45 9.950 -12.003 -0.843 1.00 0.00 H new ATOM 0 HE21 GLN A 45 9.117 -9.134 -2.790 1.00 0.00 H new ATOM 0 HE22 GLN A 45 10.581 -9.149 -3.778 1.00 0.00 H new ATOM 582 N VAL A 46 6.584 -12.500 0.955 1.00 0.00 N ATOM 583 CA VAL A 46 5.583 -11.921 1.835 1.00 0.00 C ATOM 584 C VAL A 46 5.623 -10.401 1.775 1.00 0.00 C ATOM 585 O VAL A 46 6.664 -9.805 1.502 1.00 0.00 O ATOM 586 CB VAL A 46 5.791 -12.375 3.288 1.00 0.00 C ATOM 587 CG1 VAL A 46 4.703 -11.818 4.192 1.00 0.00 C ATOM 588 CG2 VAL A 46 5.839 -13.893 3.370 1.00 0.00 C ATOM 0 H VAL A 46 7.361 -12.951 1.438 1.00 0.00 H new ATOM 0 HA VAL A 46 4.609 -12.270 1.491 1.00 0.00 H new ATOM 0 HB VAL A 46 6.747 -11.983 3.635 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.873 -12.154 5.215 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.725 -10.729 4.159 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.730 -12.172 3.851 1.00 0.00 H new ATOM 0 HG21 VAL A 46 5.987 -14.197 4.406 1.00 0.00 H new ATOM 0 HG22 VAL A 46 4.901 -14.307 3.001 1.00 0.00 H new ATOM 0 HG23 VAL A 46 6.664 -14.264 2.762 1.00 0.00 H new ATOM 598 N VAL A 47 4.479 -9.780 2.028 1.00 0.00 N ATOM 599 CA VAL A 47 4.358 -8.355 2.003 1.00 0.00 C ATOM 600 C VAL A 47 3.478 -7.875 3.154 1.00 0.00 C ATOM 601 O VAL A 47 2.540 -8.563 3.557 1.00 0.00 O ATOM 602 CB VAL A 47 3.759 -7.859 0.669 1.00 0.00 C ATOM 603 CG1 VAL A 47 4.677 -6.857 -0.012 1.00 0.00 C ATOM 604 CG2 VAL A 47 3.451 -9.018 -0.273 1.00 0.00 C ATOM 0 H VAL A 47 3.612 -10.267 2.256 1.00 0.00 H new ATOM 0 HA VAL A 47 5.362 -7.944 2.108 1.00 0.00 H new ATOM 0 HB VAL A 47 2.821 -7.358 0.909 1.00 0.00 H new ATOM 0 HG11 VAL A 47 4.226 -6.528 -0.948 1.00 0.00 H new ATOM 0 HG12 VAL A 47 4.826 -5.997 0.641 1.00 0.00 H new ATOM 0 HG13 VAL A 47 5.639 -7.326 -0.218 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.031 -8.631 -1.201 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.369 -9.564 -0.490 1.00 0.00 H new ATOM 0 HG23 VAL A 47 2.733 -9.689 0.198 1.00 0.00 H new ATOM 614 N TYR A 48 3.779 -6.693 3.677 1.00 0.00 N ATOM 615 CA TYR A 48 3.008 -6.129 4.778 1.00 0.00 C ATOM 616 C TYR A 48 2.327 -4.831 4.354 1.00 0.00 C ATOM 617 O TYR A 48 2.946 -3.768 4.350 1.00 0.00 O ATOM 618 CB TYR A 48 3.915 -5.874 5.985 1.00 0.00 C ATOM 619 CG TYR A 48 3.364 -6.414 7.286 1.00 0.00 C ATOM 620 CD1 TYR A 48 2.284 -5.803 7.913 1.00 0.00 C ATOM 621 CD2 TYR A 48 3.923 -7.536 7.887 1.00 0.00 C ATOM 622 CE1 TYR A 48 1.778 -6.294 9.101 1.00 0.00 C ATOM 623 CE2 TYR A 48 3.422 -8.032 9.076 1.00 0.00 C ATOM 624 CZ TYR A 48 2.350 -7.408 9.679 1.00 0.00 C ATOM 625 OH TYR A 48 1.849 -7.901 10.862 1.00 0.00 O ATOM 0 H TYR A 48 4.550 -6.107 3.357 1.00 0.00 H new ATOM 0 HA TYR A 48 2.238 -6.848 5.057 1.00 0.00 H new ATOM 0 HB2 TYR A 48 4.889 -6.326 5.798 1.00 0.00 H new ATOM 0 HB3 TYR A 48 4.076 -4.801 6.087 1.00 0.00 H new ATOM 0 HD1 TYR A 48 1.833 -4.930 7.464 1.00 0.00 H new ATOM 0 HD2 TYR A 48 4.762 -8.028 7.417 1.00 0.00 H new ATOM 0 HE1 TYR A 48 0.938 -5.808 9.575 1.00 0.00 H new ATOM 0 HE2 TYR A 48 3.868 -8.904 9.531 1.00 0.00 H new ATOM 0 HH TYR A 48 2.365 -8.689 11.132 1.00 0.00 H new ATOM 635 N VAL A 49 1.050 -4.924 3.996 1.00 0.00 N ATOM 636 CA VAL A 49 0.290 -3.754 3.571 1.00 0.00 C ATOM 637 C VAL A 49 0.028 -2.816 4.742 1.00 0.00 C ATOM 638 O VAL A 49 -0.499 -3.226 5.776 1.00 0.00 O ATOM 639 CB VAL A 49 -1.054 -4.154 2.933 1.00 0.00 C ATOM 640 CG1 VAL A 49 -1.748 -2.937 2.341 1.00 0.00 C ATOM 641 CG2 VAL A 49 -0.847 -5.225 1.872 1.00 0.00 C ATOM 0 H VAL A 49 0.521 -5.796 3.992 1.00 0.00 H new ATOM 0 HA VAL A 49 0.895 -3.239 2.825 1.00 0.00 H new ATOM 0 HB VAL A 49 -1.694 -4.567 3.713 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -2.695 -3.240 1.895 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.934 -2.206 3.128 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -1.112 -2.492 1.575 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -1.808 -5.494 1.434 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.187 -4.843 1.093 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.397 -6.107 2.328 1.00 0.00 H new ATOM 651 N PHE A 50 0.403 -1.551 4.574 1.00 0.00 N ATOM 652 CA PHE A 50 0.213 -0.551 5.618 1.00 0.00 C ATOM 653 C PHE A 50 -1.075 0.234 5.394 1.00 0.00 C ATOM 654 O PHE A 50 -1.687 0.722 6.344 1.00 0.00 O ATOM 655 CB PHE A 50 1.407 0.406 5.658 1.00 0.00 C ATOM 656 CG PHE A 50 2.484 -0.019 6.614 1.00 0.00 C ATOM 657 CD1 PHE A 50 2.912 -1.336 6.656 1.00 0.00 C ATOM 658 CD2 PHE A 50 3.069 0.899 7.471 1.00 0.00 C ATOM 659 CE1 PHE A 50 3.904 -1.730 7.535 1.00 0.00 C ATOM 660 CE2 PHE A 50 4.061 0.511 8.352 1.00 0.00 C ATOM 661 CZ PHE A 50 4.479 -0.805 8.384 1.00 0.00 C ATOM 0 H PHE A 50 0.840 -1.195 3.724 1.00 0.00 H new ATOM 0 HA PHE A 50 0.138 -1.070 6.574 1.00 0.00 H new ATOM 0 HB2 PHE A 50 1.832 0.486 4.657 1.00 0.00 H new ATOM 0 HB3 PHE A 50 1.057 1.400 5.936 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.466 -2.064 5.994 1.00 0.00 H new ATOM 0 HD2 PHE A 50 2.746 1.929 7.451 1.00 0.00 H new ATOM 0 HE1 PHE A 50 4.229 -2.760 7.558 1.00 0.00 H new ATOM 0 HE2 PHE A 50 4.509 1.236 9.015 1.00 0.00 H new ATOM 0 HZ PHE A 50 5.254 -1.110 9.072 1.00 0.00 H new ATOM 671 N SER A 51 -1.482 0.355 4.135 1.00 0.00 N ATOM 672 CA SER A 51 -2.698 1.084 3.794 1.00 0.00 C ATOM 673 C SER A 51 -3.363 0.487 2.558 1.00 0.00 C ATOM 674 O SER A 51 -2.716 -0.188 1.757 1.00 0.00 O ATOM 675 CB SER A 51 -2.382 2.561 3.555 1.00 0.00 C ATOM 676 OG SER A 51 -3.515 3.252 3.059 1.00 0.00 O ATOM 0 H SER A 51 -0.989 -0.042 3.335 1.00 0.00 H new ATOM 0 HA SER A 51 -3.390 0.999 4.632 1.00 0.00 H new ATOM 0 HB2 SER A 51 -2.051 3.020 4.486 1.00 0.00 H new ATOM 0 HB3 SER A 51 -1.559 2.650 2.846 1.00 0.00 H new ATOM 0 HG SER A 51 -4.220 3.255 3.740 1.00 0.00 H new ATOM 682 N LYS A 52 -4.659 0.741 2.410 1.00 0.00 N ATOM 683 CA LYS A 52 -5.411 0.228 1.270 1.00 0.00 C ATOM 684 C LYS A 52 -6.234 1.335 0.619 1.00 0.00 C ATOM 685 O LYS A 52 -7.406 1.522 0.942 1.00 0.00 O ATOM 686 CB LYS A 52 -6.330 -0.913 1.709 1.00 0.00 C ATOM 687 CG LYS A 52 -7.087 -0.625 2.995 1.00 0.00 C ATOM 688 CD LYS A 52 -7.966 -1.798 3.399 1.00 0.00 C ATOM 689 CE LYS A 52 -8.642 -1.551 4.739 1.00 0.00 C ATOM 690 NZ LYS A 52 -9.372 -2.755 5.223 1.00 0.00 N ATOM 0 H LYS A 52 -5.210 1.298 3.064 1.00 0.00 H new ATOM 0 HA LYS A 52 -4.698 -0.150 0.538 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -7.047 -1.117 0.914 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -5.735 -1.817 1.842 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -6.379 -0.408 3.794 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -7.703 0.265 2.864 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -8.723 -1.967 2.634 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -7.362 -2.704 3.456 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -7.893 -1.260 5.475 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -9.338 -0.717 4.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -9.819 -2.545 6.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -10.104 -3.018 4.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -8.704 -3.544 5.336 1.00 0.00 H new ATOM 704 N LEU A 53 -5.611 2.064 -0.301 1.00 0.00 N ATOM 705 CA LEU A 53 -6.287 3.152 -0.999 1.00 0.00 C ATOM 706 C LEU A 53 -7.459 2.626 -1.820 1.00 0.00 C ATOM 707 O LEU A 53 -7.270 1.935 -2.821 1.00 0.00 O ATOM 708 CB LEU A 53 -5.304 3.891 -1.908 1.00 0.00 C ATOM 709 CG LEU A 53 -5.662 5.350 -2.197 1.00 0.00 C ATOM 710 CD1 LEU A 53 -4.404 6.168 -2.450 1.00 0.00 C ATOM 711 CD2 LEU A 53 -6.607 5.441 -3.386 1.00 0.00 C ATOM 0 H LEU A 53 -4.640 1.922 -0.580 1.00 0.00 H new ATOM 0 HA LEU A 53 -6.672 3.846 -0.252 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.315 3.859 -1.451 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -5.235 3.355 -2.855 1.00 0.00 H new ATOM 0 HG LEU A 53 -6.168 5.760 -1.323 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -4.678 7.203 -2.654 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.762 6.129 -1.570 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.870 5.758 -3.307 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -6.851 6.486 -3.578 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -6.127 5.013 -4.266 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -7.521 4.889 -3.167 1.00 0.00 H new ATOM 723 N LYS A 54 -8.672 2.957 -1.387 1.00 0.00 N ATOM 724 CA LYS A 54 -9.876 2.517 -2.082 1.00 0.00 C ATOM 725 C LYS A 54 -10.744 3.711 -2.476 1.00 0.00 C ATOM 726 O LYS A 54 -10.266 4.845 -2.525 1.00 0.00 O ATOM 727 CB LYS A 54 -10.668 1.543 -1.203 1.00 0.00 C ATOM 728 CG LYS A 54 -11.395 2.212 -0.048 1.00 0.00 C ATOM 729 CD LYS A 54 -12.220 1.211 0.745 1.00 0.00 C ATOM 730 CE LYS A 54 -13.417 1.874 1.406 1.00 0.00 C ATOM 731 NZ LYS A 54 -14.520 0.905 1.657 1.00 0.00 N ATOM 0 H LYS A 54 -8.846 3.527 -0.560 1.00 0.00 H new ATOM 0 HA LYS A 54 -9.577 2.001 -2.995 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -11.395 1.018 -1.823 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -9.987 0.791 -0.805 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -10.671 2.691 0.611 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -12.045 2.998 -0.432 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -12.563 0.416 0.083 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -11.595 0.745 1.506 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -13.108 2.324 2.349 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -13.781 2.682 0.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -15.318 1.396 2.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -14.833 0.494 0.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -14.181 0.147 2.283 1.00 0.00 H new ATOM 745 N GLY A 55 -12.016 3.452 -2.763 1.00 0.00 N ATOM 746 CA GLY A 55 -12.918 4.519 -3.155 1.00 0.00 C ATOM 747 C GLY A 55 -12.773 4.878 -4.619 1.00 0.00 C ATOM 748 O GLY A 55 -13.731 4.787 -5.387 1.00 0.00 O ATOM 0 H GLY A 55 -12.437 2.524 -2.731 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -13.946 4.215 -2.957 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -12.723 5.401 -2.545 1.00 0.00 H new ATOM 752 N ARG A 56 -11.568 5.282 -5.007 1.00 0.00 N ATOM 753 CA ARG A 56 -11.291 5.650 -6.390 1.00 0.00 C ATOM 754 C ARG A 56 -10.020 4.968 -6.895 1.00 0.00 C ATOM 755 O ARG A 56 -9.486 5.334 -7.943 1.00 0.00 O ATOM 756 CB ARG A 56 -11.157 7.169 -6.518 1.00 0.00 C ATOM 757 CG ARG A 56 -11.867 7.741 -7.734 1.00 0.00 C ATOM 758 CD ARG A 56 -13.356 7.914 -7.481 1.00 0.00 C ATOM 759 NE ARG A 56 -14.141 6.829 -8.065 1.00 0.00 N ATOM 760 CZ ARG A 56 -14.461 6.757 -9.355 1.00 0.00 C ATOM 761 NH1 ARG A 56 -14.059 7.699 -10.200 1.00 0.00 N ATOM 762 NH2 ARG A 56 -15.183 5.739 -9.803 1.00 0.00 N ATOM 0 H ARG A 56 -10.766 5.363 -4.381 1.00 0.00 H new ATOM 0 HA ARG A 56 -12.127 5.313 -7.003 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -11.558 7.638 -5.619 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -10.100 7.429 -6.569 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -11.427 8.704 -7.994 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -11.717 7.081 -8.588 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -13.539 7.956 -6.407 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -13.686 8.865 -7.898 1.00 0.00 H new ATOM 0 HE ARG A 56 -14.463 6.083 -7.448 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -13.502 8.483 -9.862 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -14.307 7.638 -11.187 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -15.493 5.011 -9.159 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -15.428 5.684 -10.792 1.00 0.00 H new ATOM 776 N GLY A 57 -9.536 3.978 -6.147 1.00 0.00 N ATOM 777 CA GLY A 57 -8.333 3.271 -6.545 1.00 0.00 C ATOM 778 C GLY A 57 -8.076 2.033 -5.706 1.00 0.00 C ATOM 779 O GLY A 57 -6.938 1.765 -5.318 1.00 0.00 O ATOM 0 H GLY A 57 -9.955 3.655 -5.275 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -8.415 2.984 -7.593 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -7.478 3.943 -6.465 1.00 0.00 H new ATOM 783 N ARG A 58 -9.134 1.278 -5.425 1.00 0.00 N ATOM 784 CA ARG A 58 -9.023 0.062 -4.628 1.00 0.00 C ATOM 785 C ARG A 58 -7.914 -0.848 -5.155 1.00 0.00 C ATOM 786 O ARG A 58 -7.335 -1.634 -4.406 1.00 0.00 O ATOM 787 CB ARG A 58 -10.355 -0.690 -4.624 1.00 0.00 C ATOM 788 CG ARG A 58 -10.553 -1.571 -3.402 1.00 0.00 C ATOM 789 CD ARG A 58 -11.348 -2.823 -3.741 1.00 0.00 C ATOM 790 NE ARG A 58 -12.788 -2.604 -3.631 1.00 0.00 N ATOM 791 CZ ARG A 58 -13.434 -2.485 -2.474 1.00 0.00 C ATOM 792 NH1 ARG A 58 -12.772 -2.559 -1.326 1.00 0.00 N ATOM 793 NH2 ARG A 58 -14.745 -2.289 -2.463 1.00 0.00 N ATOM 0 H ARG A 58 -10.081 1.489 -5.739 1.00 0.00 H new ATOM 0 HA ARG A 58 -8.769 0.352 -3.609 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -11.170 0.032 -4.677 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -10.417 -1.307 -5.520 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -9.582 -1.854 -2.995 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -11.072 -1.008 -2.626 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -11.106 -3.142 -4.755 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -11.052 -3.632 -3.073 1.00 0.00 H new ATOM 0 HE ARG A 58 -13.330 -2.538 -4.492 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -11.763 -2.708 -1.328 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -13.272 -2.467 -0.442 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -15.259 -2.229 -3.342 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -15.240 -2.198 -1.576 1.00 0.00 H new ATOM 807 N LEU A 59 -7.630 -0.738 -6.450 1.00 0.00 N ATOM 808 CA LEU A 59 -6.604 -1.548 -7.080 1.00 0.00 C ATOM 809 C LEU A 59 -5.195 -1.046 -6.751 1.00 0.00 C ATOM 810 O LEU A 59 -4.208 -1.597 -7.238 1.00 0.00 O ATOM 811 CB LEU A 59 -6.804 -1.569 -8.597 1.00 0.00 C ATOM 812 CG LEU A 59 -7.142 -0.213 -9.224 1.00 0.00 C ATOM 813 CD1 LEU A 59 -6.206 0.091 -10.383 1.00 0.00 C ATOM 814 CD2 LEU A 59 -8.592 -0.184 -9.686 1.00 0.00 C ATOM 0 H LEU A 59 -8.101 -0.091 -7.082 1.00 0.00 H new ATOM 0 HA LEU A 59 -6.699 -2.559 -6.683 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.896 -1.952 -9.063 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -7.604 -2.271 -8.833 1.00 0.00 H new ATOM 0 HG LEU A 59 -7.007 0.558 -8.465 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -6.463 1.058 -10.814 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -5.177 0.116 -10.023 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -6.305 -0.683 -11.144 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -8.813 0.787 -10.129 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -8.753 -0.966 -10.428 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -9.249 -0.352 -8.833 1.00 0.00 H new ATOM 826 N PHE A 60 -5.101 -0.001 -5.931 1.00 0.00 N ATOM 827 CA PHE A 60 -3.811 0.557 -5.555 1.00 0.00 C ATOM 828 C PHE A 60 -3.628 0.529 -4.041 1.00 0.00 C ATOM 829 O PHE A 60 -3.989 1.476 -3.342 1.00 0.00 O ATOM 830 CB PHE A 60 -3.688 1.990 -6.077 1.00 0.00 C ATOM 831 CG PHE A 60 -2.598 2.171 -7.096 1.00 0.00 C ATOM 832 CD1 PHE A 60 -2.349 1.192 -8.047 1.00 0.00 C ATOM 833 CD2 PHE A 60 -1.824 3.320 -7.105 1.00 0.00 C ATOM 834 CE1 PHE A 60 -1.349 1.358 -8.987 1.00 0.00 C ATOM 835 CE2 PHE A 60 -0.823 3.491 -8.043 1.00 0.00 C ATOM 836 CZ PHE A 60 -0.585 2.509 -8.984 1.00 0.00 C ATOM 0 H PHE A 60 -5.903 0.473 -5.517 1.00 0.00 H new ATOM 0 HA PHE A 60 -3.027 -0.054 -6.004 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -4.639 2.289 -6.518 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -3.502 2.659 -5.236 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -2.943 0.290 -8.053 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -2.005 4.091 -6.371 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -1.165 0.589 -9.723 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -0.228 4.392 -8.040 1.00 0.00 H new ATOM 0 HZ PHE A 60 0.197 2.641 -9.717 1.00 0.00 H new ATOM 846 N TRP A 61 -3.067 -0.567 -3.542 1.00 0.00 N ATOM 847 CA TRP A 61 -2.834 -0.725 -2.110 1.00 0.00 C ATOM 848 C TRP A 61 -1.402 -0.348 -1.747 1.00 0.00 C ATOM 849 O TRP A 61 -0.462 -0.675 -2.471 1.00 0.00 O ATOM 850 CB TRP A 61 -3.119 -2.167 -1.684 1.00 0.00 C ATOM 851 CG TRP A 61 -4.551 -2.405 -1.312 1.00 0.00 C ATOM 852 CD1 TRP A 61 -5.652 -1.835 -1.881 1.00 0.00 C ATOM 853 CD2 TRP A 61 -5.036 -3.279 -0.286 1.00 0.00 C ATOM 854 NE1 TRP A 61 -6.789 -2.297 -1.274 1.00 0.00 N ATOM 855 CE2 TRP A 61 -6.440 -3.185 -0.291 1.00 0.00 C ATOM 856 CE3 TRP A 61 -4.420 -4.131 0.636 1.00 0.00 C ATOM 857 CZ2 TRP A 61 -7.238 -3.911 0.591 1.00 0.00 C ATOM 858 CZ3 TRP A 61 -5.212 -4.850 1.511 1.00 0.00 C ATOM 859 CH2 TRP A 61 -6.608 -4.737 1.482 1.00 0.00 C ATOM 0 H TRP A 61 -2.765 -1.360 -4.108 1.00 0.00 H new ATOM 0 HA TRP A 61 -3.511 -0.055 -1.580 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -2.846 -2.839 -2.497 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -2.484 -2.420 -0.835 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -5.630 -1.123 -2.692 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -7.742 -2.024 -1.515 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -3.344 -4.225 0.664 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -8.314 -3.825 0.572 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -4.747 -5.510 2.229 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -7.200 -5.314 2.177 1.00 0.00 H new ATOM 870 N GLY A 62 -1.241 0.340 -0.620 1.00 0.00 N ATOM 871 CA GLY A 62 0.082 0.748 -0.185 1.00 0.00 C ATOM 872 C GLY A 62 0.658 -0.184 0.862 1.00 0.00 C ATOM 873 O GLY A 62 -0.062 -0.666 1.736 1.00 0.00 O ATOM 0 H GLY A 62 -2.002 0.621 -0.002 1.00 0.00 H new ATOM 0 HA2 GLY A 62 0.750 0.781 -1.045 1.00 0.00 H new ATOM 0 HA3 GLY A 62 0.033 1.759 0.220 1.00 0.00 H new ATOM 877 N GLY A 63 1.960 -0.440 0.775 1.00 0.00 N ATOM 878 CA GLY A 63 2.603 -1.321 1.731 1.00 0.00 C ATOM 879 C GLY A 63 4.082 -1.507 1.460 1.00 0.00 C ATOM 880 O GLY A 63 4.719 -0.663 0.831 1.00 0.00 O ATOM 0 H GLY A 63 2.579 -0.054 0.062 1.00 0.00 H new ATOM 0 HA2 GLY A 63 2.471 -0.918 2.735 1.00 0.00 H new ATOM 0 HA3 GLY A 63 2.110 -2.293 1.710 1.00 0.00 H new ATOM 884 N SER A 64 4.625 -2.622 1.936 1.00 0.00 N ATOM 885 CA SER A 64 6.033 -2.937 1.751 1.00 0.00 C ATOM 886 C SER A 64 6.248 -4.436 1.877 1.00 0.00 C ATOM 887 O SER A 64 5.440 -5.133 2.488 1.00 0.00 O ATOM 888 CB SER A 64 6.890 -2.197 2.778 1.00 0.00 C ATOM 889 OG SER A 64 8.247 -2.600 2.695 1.00 0.00 O ATOM 0 H SER A 64 4.104 -3.327 2.457 1.00 0.00 H new ATOM 0 HA SER A 64 6.333 -2.614 0.754 1.00 0.00 H new ATOM 0 HB2 SER A 64 6.816 -1.122 2.612 1.00 0.00 H new ATOM 0 HB3 SER A 64 6.510 -2.391 3.781 1.00 0.00 H new ATOM 0 HG SER A 64 8.483 -3.122 3.490 1.00 0.00 H new ATOM 895 N VAL A 65 7.336 -4.931 1.309 1.00 0.00 N ATOM 896 CA VAL A 65 7.637 -6.340 1.370 1.00 0.00 C ATOM 897 C VAL A 65 8.196 -6.705 2.728 1.00 0.00 C ATOM 898 O VAL A 65 8.777 -5.881 3.433 1.00 0.00 O ATOM 899 CB VAL A 65 8.634 -6.800 0.279 1.00 0.00 C ATOM 900 CG1 VAL A 65 8.010 -7.870 -0.607 1.00 0.00 C ATOM 901 CG2 VAL A 65 9.132 -5.634 -0.566 1.00 0.00 C ATOM 0 H VAL A 65 8.022 -4.372 0.802 1.00 0.00 H new ATOM 0 HA VAL A 65 6.693 -6.855 1.194 1.00 0.00 H new ATOM 0 HB VAL A 65 9.496 -7.227 0.791 1.00 0.00 H new ATOM 0 HG11 VAL A 65 8.729 -8.178 -1.366 1.00 0.00 H new ATOM 0 HG12 VAL A 65 7.734 -8.731 0.002 1.00 0.00 H new ATOM 0 HG13 VAL A 65 7.120 -7.468 -1.091 1.00 0.00 H new ATOM 0 HG21 VAL A 65 9.829 -6.002 -1.319 1.00 0.00 H new ATOM 0 HG22 VAL A 65 8.286 -5.154 -1.058 1.00 0.00 H new ATOM 0 HG23 VAL A 65 9.637 -4.911 0.074 1.00 0.00 H new ATOM 911 N GLN A 66 8.003 -7.955 3.072 1.00 0.00 N ATOM 912 CA GLN A 66 8.469 -8.494 4.346 1.00 0.00 C ATOM 913 C GLN A 66 9.962 -8.244 4.534 1.00 0.00 C ATOM 914 O GLN A 66 10.734 -8.272 3.575 1.00 0.00 O ATOM 915 CB GLN A 66 8.178 -9.993 4.426 1.00 0.00 C ATOM 916 CG GLN A 66 8.915 -10.812 3.378 1.00 0.00 C ATOM 917 CD GLN A 66 9.510 -12.085 3.946 1.00 0.00 C ATOM 918 OE1 GLN A 66 8.969 -13.175 3.758 1.00 0.00 O ATOM 919 NE2 GLN A 66 10.631 -11.953 4.646 1.00 0.00 N ATOM 0 H GLN A 66 7.520 -8.634 2.484 1.00 0.00 H new ATOM 0 HA GLN A 66 7.932 -7.982 5.144 1.00 0.00 H new ATOM 0 HB2 GLN A 66 8.451 -10.355 5.417 1.00 0.00 H new ATOM 0 HB3 GLN A 66 7.106 -10.153 4.313 1.00 0.00 H new ATOM 0 HG2 GLN A 66 8.228 -11.065 2.571 1.00 0.00 H new ATOM 0 HG3 GLN A 66 9.710 -10.207 2.942 1.00 0.00 H new ATOM 0 HE21 GLN A 66 11.045 -11.030 4.777 1.00 0.00 H new ATOM 0 HE22 GLN A 66 11.078 -12.775 5.053 1.00 0.00 H new ATOM 928 N GLY A 67 10.364 -7.998 5.778 1.00 0.00 N ATOM 929 CA GLY A 67 11.762 -7.746 6.071 1.00 0.00 C ATOM 930 C GLY A 67 12.256 -8.545 7.261 1.00 0.00 C ATOM 931 O GLY A 67 11.911 -8.247 8.405 1.00 0.00 O ATOM 0 H GLY A 67 9.745 -7.969 6.588 1.00 0.00 H new ATOM 0 HA2 GLY A 67 12.364 -7.992 5.196 1.00 0.00 H new ATOM 0 HA3 GLY A 67 11.904 -6.683 6.266 1.00 0.00 H new ATOM 935 N ASP A 68 13.066 -9.565 6.992 1.00 0.00 N ATOM 936 CA ASP A 68 13.607 -10.411 8.049 1.00 0.00 C ATOM 937 C ASP A 68 14.859 -9.788 8.658 1.00 0.00 C ATOM 938 O ASP A 68 15.295 -8.714 8.244 1.00 0.00 O ATOM 939 CB ASP A 68 13.928 -11.804 7.503 1.00 0.00 C ATOM 940 CG ASP A 68 13.526 -12.907 8.463 1.00 0.00 C ATOM 941 OD1 ASP A 68 13.850 -12.796 9.664 1.00 0.00 O ATOM 942 OD2 ASP A 68 12.887 -13.882 8.013 1.00 0.00 O ATOM 0 H ASP A 68 13.362 -9.825 6.051 1.00 0.00 H new ATOM 0 HA ASP A 68 12.852 -10.501 8.830 1.00 0.00 H new ATOM 0 HB2 ASP A 68 13.413 -11.947 6.553 1.00 0.00 H new ATOM 0 HB3 ASP A 68 14.997 -11.874 7.300 1.00 0.00 H new ATOM 947 N TYR A 69 15.433 -10.470 9.644 1.00 0.00 N ATOM 948 CA TYR A 69 16.635 -9.984 10.311 1.00 0.00 C ATOM 949 C TYR A 69 17.881 -10.681 9.768 1.00 0.00 C ATOM 950 O TYR A 69 18.861 -10.869 10.487 1.00 0.00 O ATOM 951 CB TYR A 69 16.526 -10.203 11.822 1.00 0.00 C ATOM 952 CG TYR A 69 16.238 -8.937 12.597 1.00 0.00 C ATOM 953 CD1 TYR A 69 16.932 -7.764 12.330 1.00 0.00 C ATOM 954 CD2 TYR A 69 15.273 -8.917 13.596 1.00 0.00 C ATOM 955 CE1 TYR A 69 16.672 -6.605 13.037 1.00 0.00 C ATOM 956 CE2 TYR A 69 15.006 -7.761 14.307 1.00 0.00 C ATOM 957 CZ TYR A 69 15.709 -6.609 14.024 1.00 0.00 C ATOM 958 OH TYR A 69 15.447 -5.457 14.729 1.00 0.00 O ATOM 0 H TYR A 69 15.085 -11.361 9.999 1.00 0.00 H new ATOM 0 HA TYR A 69 16.726 -8.916 10.112 1.00 0.00 H new ATOM 0 HB2 TYR A 69 15.736 -10.928 12.020 1.00 0.00 H new ATOM 0 HB3 TYR A 69 17.457 -10.638 12.186 1.00 0.00 H new ATOM 0 HD1 TYR A 69 17.687 -7.757 11.558 1.00 0.00 H new ATOM 0 HD2 TYR A 69 14.722 -9.818 13.821 1.00 0.00 H new ATOM 0 HE1 TYR A 69 17.220 -5.701 12.817 1.00 0.00 H new ATOM 0 HE2 TYR A 69 14.251 -7.761 15.079 1.00 0.00 H new ATOM 0 HH TYR A 69 14.741 -5.629 15.387 1.00 0.00 H new ATOM 968 N TYR A 70 17.833 -11.059 8.494 1.00 0.00 N ATOM 969 CA TYR A 70 18.958 -11.733 7.857 1.00 0.00 C ATOM 970 C TYR A 70 19.338 -11.040 6.551 1.00 0.00 C ATOM 971 O TYR A 70 19.301 -11.644 5.479 1.00 0.00 O ATOM 972 CB TYR A 70 18.617 -13.201 7.593 1.00 0.00 C ATOM 973 CG TYR A 70 19.779 -14.143 7.816 1.00 0.00 C ATOM 974 CD1 TYR A 70 20.011 -14.708 9.064 1.00 0.00 C ATOM 975 CD2 TYR A 70 20.646 -14.465 6.779 1.00 0.00 C ATOM 976 CE1 TYR A 70 21.072 -15.567 9.273 1.00 0.00 C ATOM 977 CE2 TYR A 70 21.709 -15.325 6.980 1.00 0.00 C ATOM 978 CZ TYR A 70 21.918 -15.873 8.227 1.00 0.00 C ATOM 979 OH TYR A 70 22.976 -16.729 8.431 1.00 0.00 O ATOM 0 H TYR A 70 17.029 -10.910 7.884 1.00 0.00 H new ATOM 0 HA TYR A 70 19.811 -11.684 8.534 1.00 0.00 H new ATOM 0 HB2 TYR A 70 17.792 -13.496 8.241 1.00 0.00 H new ATOM 0 HB3 TYR A 70 18.268 -13.305 6.566 1.00 0.00 H new ATOM 0 HD1 TYR A 70 19.350 -14.471 9.885 1.00 0.00 H new ATOM 0 HD2 TYR A 70 20.487 -14.036 5.801 1.00 0.00 H new ATOM 0 HE1 TYR A 70 21.239 -15.997 10.250 1.00 0.00 H new ATOM 0 HE2 TYR A 70 22.373 -15.567 6.163 1.00 0.00 H new ATOM 0 HH TYR A 70 23.473 -16.840 7.594 1.00 0.00 H new ATOM 989 N GLY A 71 19.702 -9.765 6.650 1.00 0.00 N ATOM 990 CA GLY A 71 20.082 -9.009 5.471 1.00 0.00 C ATOM 991 C GLY A 71 18.884 -8.581 4.647 1.00 0.00 C ATOM 992 O GLY A 71 18.561 -9.207 3.637 1.00 0.00 O ATOM 0 H GLY A 71 19.740 -9.242 7.525 1.00 0.00 H new ATOM 0 HA2 GLY A 71 20.644 -8.126 5.775 1.00 0.00 H new ATOM 0 HA3 GLY A 71 20.747 -9.614 4.854 1.00 0.00 H new ATOM 996 N ASP A 72 18.223 -7.511 5.077 1.00 0.00 N ATOM 997 CA ASP A 72 17.054 -6.996 4.374 1.00 0.00 C ATOM 998 C ASP A 72 16.528 -5.737 5.053 1.00 0.00 C ATOM 999 O ASP A 72 15.382 -5.689 5.501 1.00 0.00 O ATOM 1000 CB ASP A 72 15.955 -8.060 4.313 1.00 0.00 C ATOM 1001 CG ASP A 72 14.954 -7.794 3.207 1.00 0.00 C ATOM 1002 OD1 ASP A 72 15.371 -7.314 2.131 1.00 0.00 O ATOM 1003 OD2 ASP A 72 13.753 -8.064 3.415 1.00 0.00 O ATOM 0 H ASP A 72 18.478 -6.983 5.911 1.00 0.00 H new ATOM 0 HA ASP A 72 17.353 -6.742 3.357 1.00 0.00 H new ATOM 0 HB2 ASP A 72 16.409 -9.039 4.161 1.00 0.00 H new ATOM 0 HB3 ASP A 72 15.434 -8.096 5.270 1.00 0.00 H new ATOM 1008 N LEU A 73 17.376 -4.721 5.122 1.00 0.00 N ATOM 1009 CA LEU A 73 17.007 -3.455 5.743 1.00 0.00 C ATOM 1010 C LEU A 73 16.547 -2.447 4.695 1.00 0.00 C ATOM 1011 O LEU A 73 16.533 -2.742 3.500 1.00 0.00 O ATOM 1012 CB LEU A 73 18.188 -2.886 6.534 1.00 0.00 C ATOM 1013 CG LEU A 73 18.140 -3.143 8.044 1.00 0.00 C ATOM 1014 CD1 LEU A 73 19.343 -3.961 8.490 1.00 0.00 C ATOM 1015 CD2 LEU A 73 18.075 -1.829 8.809 1.00 0.00 C ATOM 0 H LEU A 73 18.327 -4.748 4.755 1.00 0.00 H new ATOM 0 HA LEU A 73 16.179 -3.643 6.426 1.00 0.00 H new ATOM 0 HB2 LEU A 73 19.110 -3.311 6.137 1.00 0.00 H new ATOM 0 HB3 LEU A 73 18.234 -1.810 6.365 1.00 0.00 H new ATOM 0 HG LEU A 73 17.238 -3.714 8.263 1.00 0.00 H new ATOM 0 HD11 LEU A 73 19.289 -4.132 9.565 1.00 0.00 H new ATOM 0 HD12 LEU A 73 19.344 -4.919 7.970 1.00 0.00 H new ATOM 0 HD13 LEU A 73 20.259 -3.419 8.255 1.00 0.00 H new ATOM 0 HD21 LEU A 73 18.042 -2.032 9.879 1.00 0.00 H new ATOM 0 HD22 LEU A 73 18.957 -1.231 8.581 1.00 0.00 H new ATOM 0 HD23 LEU A 73 17.180 -1.281 8.516 1.00 0.00 H new ATOM 1027 N ALA A 74 16.170 -1.257 5.150 1.00 0.00 N ATOM 1028 CA ALA A 74 15.708 -0.206 4.252 1.00 0.00 C ATOM 1029 C ALA A 74 14.476 -0.652 3.473 1.00 0.00 C ATOM 1030 O ALA A 74 14.586 -1.199 2.377 1.00 0.00 O ATOM 1031 CB ALA A 74 16.821 0.199 3.297 1.00 0.00 C ATOM 0 H ALA A 74 16.175 -0.996 6.136 1.00 0.00 H new ATOM 0 HA ALA A 74 15.430 0.658 4.856 1.00 0.00 H new ATOM 0 HB1 ALA A 74 16.462 0.985 2.632 1.00 0.00 H new ATOM 0 HB2 ALA A 74 17.674 0.568 3.867 1.00 0.00 H new ATOM 0 HB3 ALA A 74 17.126 -0.665 2.706 1.00 0.00 H new ATOM 1037 N ALA A 75 13.301 -0.413 4.048 1.00 0.00 N ATOM 1038 CA ALA A 75 12.047 -0.789 3.408 1.00 0.00 C ATOM 1039 C ALA A 75 11.393 0.412 2.733 1.00 0.00 C ATOM 1040 O ALA A 75 11.081 1.410 3.384 1.00 0.00 O ATOM 1041 CB ALA A 75 11.099 -1.404 4.427 1.00 0.00 C ATOM 0 H ALA A 75 13.192 0.039 4.956 1.00 0.00 H new ATOM 0 HA ALA A 75 12.268 -1.529 2.639 1.00 0.00 H new ATOM 0 HB1 ALA A 75 10.166 -1.680 3.936 1.00 0.00 H new ATOM 0 HB2 ALA A 75 11.558 -2.293 4.861 1.00 0.00 H new ATOM 0 HB3 ALA A 75 10.893 -0.680 5.216 1.00 0.00 H new ATOM 1047 N ARG A 76 11.187 0.309 1.424 1.00 0.00 N ATOM 1048 CA ARG A 76 10.569 1.387 0.662 1.00 0.00 C ATOM 1049 C ARG A 76 9.087 1.110 0.434 1.00 0.00 C ATOM 1050 O ARG A 76 8.719 0.316 -0.432 1.00 0.00 O ATOM 1051 CB ARG A 76 11.281 1.561 -0.682 1.00 0.00 C ATOM 1052 CG ARG A 76 11.401 3.011 -1.122 1.00 0.00 C ATOM 1053 CD ARG A 76 12.731 3.277 -1.809 1.00 0.00 C ATOM 1054 NE ARG A 76 12.926 2.415 -2.973 1.00 0.00 N ATOM 1055 CZ ARG A 76 13.900 2.581 -3.865 1.00 0.00 C ATOM 1056 NH1 ARG A 76 14.768 3.577 -3.732 1.00 0.00 N ATOM 1057 NH2 ARG A 76 14.006 1.751 -4.893 1.00 0.00 N ATOM 0 H ARG A 76 11.439 -0.509 0.870 1.00 0.00 H new ATOM 0 HA ARG A 76 10.663 2.308 1.237 1.00 0.00 H new ATOM 0 HB2 ARG A 76 12.278 1.126 -0.615 1.00 0.00 H new ATOM 0 HB3 ARG A 76 10.740 1.002 -1.446 1.00 0.00 H new ATOM 0 HG2 ARG A 76 10.584 3.255 -1.801 1.00 0.00 H new ATOM 0 HG3 ARG A 76 11.301 3.665 -0.256 1.00 0.00 H new ATOM 0 HD2 ARG A 76 12.777 4.321 -2.119 1.00 0.00 H new ATOM 0 HD3 ARG A 76 13.544 3.119 -1.100 1.00 0.00 H new ATOM 0 HE ARG A 76 12.277 1.640 -3.110 1.00 0.00 H new ATOM 0 HH11 ARG A 76 14.690 4.219 -2.943 1.00 0.00 H new ATOM 0 HH12 ARG A 76 15.513 3.700 -4.418 1.00 0.00 H new ATOM 0 HH21 ARG A 76 13.341 0.985 -5.001 1.00 0.00 H new ATOM 0 HH22 ARG A 76 14.752 1.878 -5.576 1.00 0.00 H new ATOM 1071 N LEU A 77 8.241 1.769 1.219 1.00 0.00 N ATOM 1072 CA LEU A 77 6.798 1.593 1.105 1.00 0.00 C ATOM 1073 C LEU A 77 6.281 2.156 -0.216 1.00 0.00 C ATOM 1074 O LEU A 77 6.496 3.326 -0.530 1.00 0.00 O ATOM 1075 CB LEU A 77 6.087 2.272 2.279 1.00 0.00 C ATOM 1076 CG LEU A 77 5.003 1.429 2.955 1.00 0.00 C ATOM 1077 CD1 LEU A 77 5.031 1.629 4.462 1.00 0.00 C ATOM 1078 CD2 LEU A 77 3.632 1.775 2.394 1.00 0.00 C ATOM 0 H LEU A 77 8.530 2.429 1.941 1.00 0.00 H new ATOM 0 HA LEU A 77 6.584 0.524 1.129 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.832 2.545 3.026 1.00 0.00 H new ATOM 0 HB3 LEU A 77 5.636 3.199 1.924 1.00 0.00 H new ATOM 0 HG LEU A 77 5.205 0.378 2.746 1.00 0.00 H new ATOM 0 HD11 LEU A 77 4.253 1.021 4.924 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.004 1.330 4.851 1.00 0.00 H new ATOM 0 HD13 LEU A 77 4.856 2.680 4.693 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.873 1.166 2.886 1.00 0.00 H new ATOM 0 HD22 LEU A 77 3.422 2.830 2.571 1.00 0.00 H new ATOM 0 HD23 LEU A 77 3.617 1.577 1.322 1.00 0.00 H new ATOM 1090 N GLY A 78 5.599 1.312 -0.986 1.00 0.00 N ATOM 1091 CA GLY A 78 5.061 1.741 -2.263 1.00 0.00 C ATOM 1092 C GLY A 78 3.568 1.502 -2.369 1.00 0.00 C ATOM 1093 O GLY A 78 2.865 1.469 -1.359 1.00 0.00 O ATOM 0 H GLY A 78 5.410 0.339 -0.747 1.00 0.00 H new ATOM 0 HA2 GLY A 78 5.268 2.802 -2.404 1.00 0.00 H new ATOM 0 HA3 GLY A 78 5.570 1.208 -3.066 1.00 0.00 H new ATOM 1097 N TYR A 79 3.081 1.335 -3.594 1.00 0.00 N ATOM 1098 CA TYR A 79 1.661 1.098 -3.824 1.00 0.00 C ATOM 1099 C TYR A 79 1.446 0.170 -5.015 1.00 0.00 C ATOM 1100 O TYR A 79 1.992 0.391 -6.095 1.00 0.00 O ATOM 1101 CB TYR A 79 0.928 2.422 -4.053 1.00 0.00 C ATOM 1102 CG TYR A 79 0.635 3.179 -2.777 1.00 0.00 C ATOM 1103 CD1 TYR A 79 1.629 3.908 -2.136 1.00 0.00 C ATOM 1104 CD2 TYR A 79 -0.635 3.165 -2.215 1.00 0.00 C ATOM 1105 CE1 TYR A 79 1.365 4.601 -0.970 1.00 0.00 C ATOM 1106 CE2 TYR A 79 -0.907 3.857 -1.050 1.00 0.00 C ATOM 1107 CZ TYR A 79 0.097 4.573 -0.431 1.00 0.00 C ATOM 1108 OH TYR A 79 -0.171 5.263 0.729 1.00 0.00 O ATOM 0 H TYR A 79 3.648 1.359 -4.442 1.00 0.00 H new ATOM 0 HA TYR A 79 1.254 0.616 -2.935 1.00 0.00 H new ATOM 0 HB2 TYR A 79 1.529 3.052 -4.710 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -0.010 2.224 -4.572 1.00 0.00 H new ATOM 0 HD1 TYR A 79 2.624 3.933 -2.556 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -1.423 2.604 -2.696 1.00 0.00 H new ATOM 0 HE1 TYR A 79 2.149 5.162 -0.483 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -1.900 3.837 -0.626 1.00 0.00 H new ATOM 0 HH TYR A 79 0.412 6.049 0.784 1.00 0.00 H new ATOM 1118 N PHE A 80 0.647 -0.872 -4.806 1.00 0.00 N ATOM 1119 CA PHE A 80 0.359 -1.839 -5.858 1.00 0.00 C ATOM 1120 C PHE A 80 -0.928 -2.603 -5.558 1.00 0.00 C ATOM 1121 O PHE A 80 -1.344 -2.704 -4.403 1.00 0.00 O ATOM 1122 CB PHE A 80 1.524 -2.819 -6.005 1.00 0.00 C ATOM 1123 CG PHE A 80 1.932 -3.454 -4.708 1.00 0.00 C ATOM 1124 CD1 PHE A 80 1.108 -4.378 -4.086 1.00 0.00 C ATOM 1125 CD2 PHE A 80 3.135 -3.123 -4.106 1.00 0.00 C ATOM 1126 CE1 PHE A 80 1.476 -4.960 -2.890 1.00 0.00 C ATOM 1127 CE2 PHE A 80 3.509 -3.701 -2.908 1.00 0.00 C ATOM 1128 CZ PHE A 80 2.678 -4.622 -2.299 1.00 0.00 C ATOM 0 H PHE A 80 0.188 -1.068 -3.917 1.00 0.00 H new ATOM 0 HA PHE A 80 0.227 -1.295 -6.793 1.00 0.00 H new ATOM 0 HB2 PHE A 80 1.246 -3.600 -6.712 1.00 0.00 H new ATOM 0 HB3 PHE A 80 2.380 -2.294 -6.430 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.167 -4.646 -4.542 1.00 0.00 H new ATOM 0 HD2 PHE A 80 3.788 -2.405 -4.579 1.00 0.00 H new ATOM 0 HE1 PHE A 80 0.825 -5.679 -2.416 1.00 0.00 H new ATOM 0 HE2 PHE A 80 4.449 -3.434 -2.448 1.00 0.00 H new ATOM 0 HZ PHE A 80 2.968 -5.077 -1.363 1.00 0.00 H new ATOM 1138 N PRO A 81 -1.577 -3.157 -6.596 1.00 0.00 N ATOM 1139 CA PRO A 81 -2.821 -3.917 -6.433 1.00 0.00 C ATOM 1140 C PRO A 81 -2.626 -5.170 -5.586 1.00 0.00 C ATOM 1141 O PRO A 81 -1.531 -5.728 -5.528 1.00 0.00 O ATOM 1142 CB PRO A 81 -3.208 -4.296 -7.868 1.00 0.00 C ATOM 1143 CG PRO A 81 -1.944 -4.188 -8.651 1.00 0.00 C ATOM 1144 CD PRO A 81 -1.151 -3.089 -8.004 1.00 0.00 C ATOM 0 HA PRO A 81 -3.584 -3.336 -5.915 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -3.615 -5.306 -7.913 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -3.973 -3.626 -8.260 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -1.393 -5.128 -8.635 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -2.151 -3.957 -9.696 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -0.078 -3.250 -8.109 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -1.372 -2.118 -8.446 1.00 0.00 H new ATOM 1152 N SER A 82 -3.697 -5.604 -4.930 1.00 0.00 N ATOM 1153 CA SER A 82 -3.648 -6.791 -4.083 1.00 0.00 C ATOM 1154 C SER A 82 -3.733 -8.067 -4.918 1.00 0.00 C ATOM 1155 O SER A 82 -3.266 -9.126 -4.498 1.00 0.00 O ATOM 1156 CB SER A 82 -4.787 -6.762 -3.063 1.00 0.00 C ATOM 1157 OG SER A 82 -6.028 -7.063 -3.677 1.00 0.00 O ATOM 0 H SER A 82 -4.610 -5.151 -4.968 1.00 0.00 H new ATOM 0 HA SER A 82 -2.694 -6.788 -3.556 1.00 0.00 H new ATOM 0 HB2 SER A 82 -4.587 -7.481 -2.269 1.00 0.00 H new ATOM 0 HB3 SER A 82 -4.837 -5.778 -2.597 1.00 0.00 H new ATOM 0 HG SER A 82 -6.740 -7.040 -3.004 1.00 0.00 H new ATOM 1163 N SER A 83 -4.336 -7.960 -6.099 1.00 0.00 N ATOM 1164 CA SER A 83 -4.488 -9.104 -6.991 1.00 0.00 C ATOM 1165 C SER A 83 -3.155 -9.816 -7.220 1.00 0.00 C ATOM 1166 O SER A 83 -3.121 -11.018 -7.481 1.00 0.00 O ATOM 1167 CB SER A 83 -5.073 -8.656 -8.331 1.00 0.00 C ATOM 1168 OG SER A 83 -4.094 -8.006 -9.124 1.00 0.00 O ATOM 0 H SER A 83 -4.728 -7.090 -6.460 1.00 0.00 H new ATOM 0 HA SER A 83 -5.171 -9.807 -6.514 1.00 0.00 H new ATOM 0 HB2 SER A 83 -5.465 -9.520 -8.867 1.00 0.00 H new ATOM 0 HB3 SER A 83 -5.912 -7.982 -8.158 1.00 0.00 H new ATOM 0 HG SER A 83 -4.493 -7.731 -9.976 1.00 0.00 H new ATOM 1174 N ILE A 84 -2.061 -9.066 -7.123 1.00 0.00 N ATOM 1175 CA ILE A 84 -0.729 -9.629 -7.325 1.00 0.00 C ATOM 1176 C ILE A 84 -0.203 -10.305 -6.056 1.00 0.00 C ATOM 1177 O ILE A 84 0.915 -10.817 -6.037 1.00 0.00 O ATOM 1178 CB ILE A 84 0.270 -8.544 -7.780 1.00 0.00 C ATOM 1179 CG1 ILE A 84 1.588 -9.177 -8.238 1.00 0.00 C ATOM 1180 CG2 ILE A 84 0.519 -7.542 -6.662 1.00 0.00 C ATOM 1181 CD1 ILE A 84 1.411 -10.288 -9.251 1.00 0.00 C ATOM 0 H ILE A 84 -2.070 -8.069 -6.906 1.00 0.00 H new ATOM 0 HA ILE A 84 -0.820 -10.382 -8.108 1.00 0.00 H new ATOM 0 HB ILE A 84 -0.166 -8.014 -8.626 1.00 0.00 H new ATOM 0 HG12 ILE A 84 2.222 -8.402 -8.669 1.00 0.00 H new ATOM 0 HG13 ILE A 84 2.113 -9.571 -7.368 1.00 0.00 H new ATOM 0 HG21 ILE A 84 1.226 -6.785 -7.002 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -0.421 -7.063 -6.387 1.00 0.00 H new ATOM 0 HG23 ILE A 84 0.930 -8.059 -5.795 1.00 0.00 H new ATOM 0 HD11 ILE A 84 2.387 -10.687 -9.528 1.00 0.00 H new ATOM 0 HD12 ILE A 84 0.804 -11.082 -8.817 1.00 0.00 H new ATOM 0 HD13 ILE A 84 0.915 -9.895 -10.139 1.00 0.00 H new ATOM 1193 N VAL A 85 -1.011 -10.304 -4.999 1.00 0.00 N ATOM 1194 CA VAL A 85 -0.619 -10.915 -3.736 1.00 0.00 C ATOM 1195 C VAL A 85 -1.777 -11.700 -3.125 1.00 0.00 C ATOM 1196 O VAL A 85 -2.858 -11.786 -3.709 1.00 0.00 O ATOM 1197 CB VAL A 85 -0.152 -9.851 -2.727 1.00 0.00 C ATOM 1198 CG1 VAL A 85 1.190 -9.266 -3.146 1.00 0.00 C ATOM 1199 CG2 VAL A 85 -1.200 -8.758 -2.581 1.00 0.00 C ATOM 0 H VAL A 85 -1.941 -9.886 -4.994 1.00 0.00 H new ATOM 0 HA VAL A 85 0.206 -11.594 -3.951 1.00 0.00 H new ATOM 0 HB VAL A 85 -0.023 -10.329 -1.756 1.00 0.00 H new ATOM 0 HG11 VAL A 85 1.503 -8.516 -2.420 1.00 0.00 H new ATOM 0 HG12 VAL A 85 1.935 -10.060 -3.191 1.00 0.00 H new ATOM 0 HG13 VAL A 85 1.094 -8.803 -4.128 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.853 -8.014 -1.864 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -1.365 -8.281 -3.547 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -2.134 -9.195 -2.228 1.00 0.00 H new ATOM 1209 N ARG A 86 -1.544 -12.269 -1.948 1.00 0.00 N ATOM 1210 CA ARG A 86 -2.563 -13.046 -1.252 1.00 0.00 C ATOM 1211 C ARG A 86 -2.460 -12.837 0.256 1.00 0.00 C ATOM 1212 O ARG A 86 -1.514 -13.300 0.893 1.00 0.00 O ATOM 1213 CB ARG A 86 -2.420 -14.532 -1.588 1.00 0.00 C ATOM 1214 CG ARG A 86 -3.261 -14.970 -2.775 1.00 0.00 C ATOM 1215 CD ARG A 86 -4.703 -15.236 -2.371 1.00 0.00 C ATOM 1216 NE ARG A 86 -5.653 -14.656 -3.318 1.00 0.00 N ATOM 1217 CZ ARG A 86 -5.791 -15.068 -4.576 1.00 0.00 C ATOM 1218 NH1 ARG A 86 -5.045 -16.062 -5.041 1.00 0.00 N ATOM 1219 NH2 ARG A 86 -6.676 -14.483 -5.371 1.00 0.00 N ATOM 0 H ARG A 86 -0.654 -12.206 -1.454 1.00 0.00 H new ATOM 0 HA ARG A 86 -3.543 -12.703 -1.584 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -1.372 -14.750 -1.795 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -2.702 -15.122 -0.716 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -3.234 -14.199 -3.545 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -2.833 -15.872 -3.212 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -4.868 -16.311 -2.304 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -4.883 -14.824 -1.378 1.00 0.00 H new ATOM 0 HE ARG A 86 -6.245 -13.890 -2.996 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -4.362 -16.514 -4.433 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -5.155 -16.374 -6.006 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -7.251 -13.718 -5.018 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -6.782 -14.798 -6.335 1.00 0.00 H new ATOM 1233 N GLU A 87 -3.435 -12.133 0.819 1.00 0.00 N ATOM 1234 CA GLU A 87 -3.449 -11.857 2.250 1.00 0.00 C ATOM 1235 C GLU A 87 -3.862 -13.089 3.047 1.00 0.00 C ATOM 1236 O GLU A 87 -4.893 -13.704 2.775 1.00 0.00 O ATOM 1237 CB GLU A 87 -4.395 -10.693 2.557 1.00 0.00 C ATOM 1238 CG GLU A 87 -3.769 -9.616 3.429 1.00 0.00 C ATOM 1239 CD GLU A 87 -3.927 -8.226 2.844 1.00 0.00 C ATOM 1240 OE1 GLU A 87 -5.052 -7.881 2.428 1.00 0.00 O ATOM 1241 OE2 GLU A 87 -2.923 -7.482 2.802 1.00 0.00 O ATOM 0 H GLU A 87 -4.226 -11.743 0.306 1.00 0.00 H new ATOM 0 HA GLU A 87 -2.437 -11.584 2.548 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -4.723 -10.245 1.619 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -5.285 -11.080 3.054 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -4.226 -9.644 4.418 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -2.709 -9.832 3.561 1.00 0.00 H new ATOM 1248 N ASP A 88 -3.050 -13.439 4.039 1.00 0.00 N ATOM 1249 CA ASP A 88 -3.325 -14.592 4.887 1.00 0.00 C ATOM 1250 C ASP A 88 -3.428 -14.168 6.343 1.00 0.00 C ATOM 1251 O ASP A 88 -4.374 -14.524 7.046 1.00 0.00 O ATOM 1252 CB ASP A 88 -2.234 -15.653 4.720 1.00 0.00 C ATOM 1253 CG ASP A 88 -2.804 -17.047 4.558 1.00 0.00 C ATOM 1254 OD1 ASP A 88 -3.725 -17.406 5.323 1.00 0.00 O ATOM 1255 OD2 ASP A 88 -2.331 -17.782 3.666 1.00 0.00 O ATOM 0 H ASP A 88 -2.193 -12.938 4.276 1.00 0.00 H new ATOM 0 HA ASP A 88 -4.278 -15.023 4.582 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -1.624 -15.409 3.850 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -1.574 -15.632 5.588 1.00 0.00 H new ATOM 1260 N GLN A 89 -2.443 -13.406 6.783 1.00 0.00 N ATOM 1261 CA GLN A 89 -2.392 -12.916 8.145 1.00 0.00 C ATOM 1262 C GLN A 89 -2.852 -11.466 8.204 1.00 0.00 C ATOM 1263 O GLN A 89 -2.715 -10.727 7.230 1.00 0.00 O ATOM 1264 CB GLN A 89 -0.964 -13.034 8.650 1.00 0.00 C ATOM 1265 CG GLN A 89 -0.832 -12.930 10.161 1.00 0.00 C ATOM 1266 CD GLN A 89 0.475 -12.294 10.590 1.00 0.00 C ATOM 1267 OE1 GLN A 89 0.563 -11.076 10.751 1.00 0.00 O ATOM 1268 NE2 GLN A 89 1.501 -13.116 10.778 1.00 0.00 N ATOM 0 H GLN A 89 -1.657 -13.110 6.205 1.00 0.00 H new ATOM 0 HA GLN A 89 -3.057 -13.508 8.773 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -0.552 -13.989 8.324 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -0.360 -12.253 8.188 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -1.663 -12.345 10.555 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -0.908 -13.926 10.598 1.00 0.00 H new ATOM 0 HE21 GLN A 89 1.384 -14.119 10.633 1.00 0.00 H new ATOM 0 HE22 GLN A 89 2.406 -12.744 11.067 1.00 0.00 H new ATOM 1277 N THR A 90 -3.400 -11.057 9.342 1.00 0.00 N ATOM 1278 CA THR A 90 -3.873 -9.689 9.496 1.00 0.00 C ATOM 1279 C THR A 90 -3.511 -9.115 10.859 1.00 0.00 C ATOM 1280 O THR A 90 -3.414 -9.838 11.850 1.00 0.00 O ATOM 1281 CB THR A 90 -5.381 -9.604 9.290 1.00 0.00 C ATOM 1282 OG1 THR A 90 -6.034 -10.729 9.851 1.00 0.00 O ATOM 1283 CG2 THR A 90 -5.782 -9.512 7.836 1.00 0.00 C ATOM 0 H THR A 90 -3.527 -11.648 10.164 1.00 0.00 H new ATOM 0 HA THR A 90 -3.374 -9.095 8.730 1.00 0.00 H new ATOM 0 HB THR A 90 -5.687 -8.686 9.792 1.00 0.00 H new ATOM 0 HG1 THR A 90 -7.000 -10.651 9.708 1.00 0.00 H new ATOM 0 HG21 THR A 90 -6.868 -9.454 7.761 1.00 0.00 H new ATOM 0 HG22 THR A 90 -5.340 -8.620 7.392 1.00 0.00 H new ATOM 0 HG23 THR A 90 -5.428 -10.395 7.304 1.00 0.00 H new ATOM 1291 N LEU A 91 -3.318 -7.803 10.889 1.00 0.00 N ATOM 1292 CA LEU A 91 -2.971 -7.101 12.115 1.00 0.00 C ATOM 1293 C LEU A 91 -3.425 -5.646 12.045 1.00 0.00 C ATOM 1294 O LEU A 91 -2.716 -4.742 12.483 1.00 0.00 O ATOM 1295 CB LEU A 91 -1.462 -7.169 12.357 1.00 0.00 C ATOM 1296 CG LEU A 91 -1.040 -7.155 13.828 1.00 0.00 C ATOM 1297 CD1 LEU A 91 0.320 -7.811 14.001 1.00 0.00 C ATOM 1298 CD2 LEU A 91 -1.018 -5.730 14.363 1.00 0.00 C ATOM 0 H LEU A 91 -3.397 -7.200 10.070 1.00 0.00 H new ATOM 0 HA LEU A 91 -3.483 -7.586 12.946 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -1.076 -8.076 11.893 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -0.990 -6.326 11.852 1.00 0.00 H new ATOM 0 HG LEU A 91 -1.771 -7.726 14.400 1.00 0.00 H new ATOM 0 HD11 LEU A 91 0.602 -7.791 15.054 1.00 0.00 H new ATOM 0 HD12 LEU A 91 0.272 -8.844 13.658 1.00 0.00 H new ATOM 0 HD13 LEU A 91 1.063 -7.269 13.416 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -0.716 -5.739 15.410 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -0.309 -5.136 13.786 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -2.013 -5.293 14.276 1.00 0.00 H new ATOM 1310 N LYS A 92 -4.611 -5.429 11.482 1.00 0.00 N ATOM 1311 CA LYS A 92 -5.160 -4.082 11.347 1.00 0.00 C ATOM 1312 C LYS A 92 -6.013 -3.708 12.559 1.00 0.00 C ATOM 1313 O LYS A 92 -7.141 -4.179 12.699 1.00 0.00 O ATOM 1314 CB LYS A 92 -6.008 -3.971 10.075 1.00 0.00 C ATOM 1315 CG LYS A 92 -6.897 -5.178 9.822 1.00 0.00 C ATOM 1316 CD LYS A 92 -8.182 -4.785 9.111 1.00 0.00 C ATOM 1317 CE LYS A 92 -9.206 -4.221 10.083 1.00 0.00 C ATOM 1318 NZ LYS A 92 -10.206 -5.246 10.494 1.00 0.00 N ATOM 0 H LYS A 92 -5.210 -6.167 11.112 1.00 0.00 H new ATOM 0 HA LYS A 92 -4.320 -3.391 11.284 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -6.632 -3.080 10.142 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -5.347 -3.833 9.220 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -6.357 -5.909 9.221 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -7.137 -5.659 10.770 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -7.962 -4.044 8.342 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -8.600 -5.655 8.605 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -8.695 -3.838 10.966 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -9.719 -3.378 9.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -10.886 -4.821 11.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -10.712 -5.594 9.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -9.719 -6.039 10.958 1.00 0.00 H new ATOM 1332 N PRO A 93 -5.492 -2.844 13.451 1.00 0.00 N ATOM 1333 CA PRO A 93 -6.225 -2.408 14.641 1.00 0.00 C ATOM 1334 C PRO A 93 -7.333 -1.419 14.296 1.00 0.00 C ATOM 1335 O PRO A 93 -8.325 -1.305 15.017 1.00 0.00 O ATOM 1336 CB PRO A 93 -5.148 -1.730 15.487 1.00 0.00 C ATOM 1337 CG PRO A 93 -4.163 -1.220 14.493 1.00 0.00 C ATOM 1338 CD PRO A 93 -4.157 -2.218 13.367 1.00 0.00 C ATOM 0 HA PRO A 93 -6.723 -3.235 15.146 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -5.564 -0.920 16.086 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -4.686 -2.433 16.180 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -4.446 -0.230 14.136 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -3.172 -1.127 14.938 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -4.001 -1.734 12.403 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -3.361 -2.953 13.487 1.00 0.00 H new ATOM 1346 N GLY A 94 -7.156 -0.707 13.187 1.00 0.00 N ATOM 1347 CA GLY A 94 -8.147 0.265 12.761 1.00 0.00 C ATOM 1348 C GLY A 94 -8.404 0.217 11.267 1.00 0.00 C ATOM 1349 O GLY A 94 -7.666 -0.428 10.522 1.00 0.00 O ATOM 0 H GLY A 94 -6.343 -0.786 12.575 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -9.081 0.084 13.293 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -7.812 1.265 13.037 1.00 0.00 H new ATOM 1353 N LYS A 95 -9.451 0.908 10.826 1.00 0.00 N ATOM 1354 CA LYS A 95 -9.803 0.955 9.423 1.00 0.00 C ATOM 1355 C LYS A 95 -10.504 2.268 9.092 1.00 0.00 C ATOM 1356 O LYS A 95 -11.563 2.280 8.463 1.00 0.00 O ATOM 1357 CB LYS A 95 -10.691 -0.234 9.049 1.00 0.00 C ATOM 1358 CG LYS A 95 -11.987 -0.298 9.839 1.00 0.00 C ATOM 1359 CD LYS A 95 -12.389 -1.734 10.137 1.00 0.00 C ATOM 1360 CE LYS A 95 -13.716 -1.800 10.876 1.00 0.00 C ATOM 1361 NZ LYS A 95 -14.851 -2.086 9.955 1.00 0.00 N ATOM 0 H LYS A 95 -10.071 1.445 11.432 1.00 0.00 H new ATOM 0 HA LYS A 95 -8.885 0.895 8.838 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -10.926 -0.181 7.986 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -10.133 -1.157 9.207 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -11.871 0.250 10.774 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -12.781 0.194 9.277 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -12.463 -2.293 9.204 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -11.614 -2.213 10.735 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -13.667 -2.573 11.642 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -13.894 -0.854 11.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -15.738 -2.123 10.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -14.915 -1.335 9.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -14.695 -3.000 9.485 1.00 0.00 H new ATOM 1375 N VAL A 96 -9.908 3.371 9.526 1.00 0.00 N ATOM 1376 CA VAL A 96 -10.474 4.690 9.286 1.00 0.00 C ATOM 1377 C VAL A 96 -9.956 5.274 7.982 1.00 0.00 C ATOM 1378 O VAL A 96 -8.779 5.136 7.650 1.00 0.00 O ATOM 1379 CB VAL A 96 -10.150 5.666 10.434 1.00 0.00 C ATOM 1380 CG1 VAL A 96 -11.039 6.899 10.353 1.00 0.00 C ATOM 1381 CG2 VAL A 96 -10.295 4.977 11.785 1.00 0.00 C ATOM 0 H VAL A 96 -9.031 3.377 10.047 1.00 0.00 H new ATOM 0 HA VAL A 96 -11.555 4.562 9.226 1.00 0.00 H new ATOM 0 HB VAL A 96 -9.114 5.987 10.331 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -10.796 7.577 11.171 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -10.874 7.405 9.402 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -12.084 6.599 10.428 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -10.062 5.684 12.581 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -11.318 4.621 11.904 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -9.609 4.132 11.838 1.00 0.00 H new ATOM 1391 N ASP A 97 -10.843 5.925 7.246 1.00 0.00 N ATOM 1392 CA ASP A 97 -10.482 6.529 5.976 1.00 0.00 C ATOM 1393 C ASP A 97 -9.701 7.818 6.191 1.00 0.00 C ATOM 1394 O ASP A 97 -9.959 8.570 7.130 1.00 0.00 O ATOM 1395 CB ASP A 97 -11.733 6.804 5.140 1.00 0.00 C ATOM 1396 CG ASP A 97 -11.403 7.236 3.726 1.00 0.00 C ATOM 1397 OD1 ASP A 97 -11.159 6.353 2.877 1.00 0.00 O ATOM 1398 OD2 ASP A 97 -11.389 8.458 3.466 1.00 0.00 O ATOM 0 H ASP A 97 -11.821 6.048 7.509 1.00 0.00 H new ATOM 0 HA ASP A 97 -9.846 5.827 5.437 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -12.349 5.905 5.107 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -12.326 7.580 5.624 1.00 0.00 H new ATOM 1403 N VAL A 98 -8.743 8.056 5.312 1.00 0.00 N ATOM 1404 CA VAL A 98 -7.903 9.244 5.383 1.00 0.00 C ATOM 1405 C VAL A 98 -7.546 9.738 3.987 1.00 0.00 C ATOM 1406 O VAL A 98 -6.944 9.011 3.197 1.00 0.00 O ATOM 1407 CB VAL A 98 -6.602 8.969 6.163 1.00 0.00 C ATOM 1408 CG1 VAL A 98 -5.987 10.272 6.651 1.00 0.00 C ATOM 1409 CG2 VAL A 98 -6.862 8.025 7.328 1.00 0.00 C ATOM 0 H VAL A 98 -8.524 7.436 4.532 1.00 0.00 H new ATOM 0 HA VAL A 98 -8.476 10.009 5.907 1.00 0.00 H new ATOM 0 HB VAL A 98 -5.893 8.488 5.489 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -5.070 10.058 7.199 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -5.759 10.909 5.797 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -6.691 10.783 7.307 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -5.931 7.844 7.865 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -7.590 8.474 8.004 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -7.252 7.080 6.950 1.00 0.00 H new ATOM 1419 N LYS A 99 -7.921 10.975 3.687 1.00 0.00 N ATOM 1420 CA LYS A 99 -7.638 11.561 2.383 1.00 0.00 C ATOM 1421 C LYS A 99 -6.136 11.626 2.129 1.00 0.00 C ATOM 1422 O LYS A 99 -5.345 11.752 3.063 1.00 0.00 O ATOM 1423 CB LYS A 99 -8.244 12.960 2.287 1.00 0.00 C ATOM 1424 CG LYS A 99 -9.761 12.965 2.192 1.00 0.00 C ATOM 1425 CD LYS A 99 -10.339 14.317 2.574 1.00 0.00 C ATOM 1426 CE LYS A 99 -10.608 14.408 4.067 1.00 0.00 C ATOM 1427 NZ LYS A 99 -9.544 15.168 4.778 1.00 0.00 N ATOM 0 H LYS A 99 -8.421 11.591 4.328 1.00 0.00 H new ATOM 0 HA LYS A 99 -8.089 10.924 1.622 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -7.942 13.538 3.161 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -7.833 13.465 1.413 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -10.064 12.713 1.176 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -10.170 12.195 2.847 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -9.647 15.106 2.280 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -11.266 14.485 2.026 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -11.571 14.890 4.233 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -10.678 13.404 4.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -9.891 15.456 5.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -8.703 14.566 4.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -9.294 16.013 4.226 1.00 0.00 H new ATOM 1441 N THR A 100 -5.750 11.537 0.861 1.00 0.00 N ATOM 1442 CA THR A 100 -4.343 11.583 0.484 1.00 0.00 C ATOM 1443 C THR A 100 -3.823 13.018 0.486 1.00 0.00 C ATOM 1444 O THR A 100 -4.589 13.967 0.656 1.00 0.00 O ATOM 1445 CB THR A 100 -4.150 10.953 -0.897 1.00 0.00 C ATOM 1446 OG1 THR A 100 -2.776 10.736 -1.161 1.00 0.00 O ATOM 1447 CG2 THR A 100 -4.711 11.790 -2.028 1.00 0.00 C ATOM 0 H THR A 100 -6.393 11.432 0.076 1.00 0.00 H new ATOM 0 HA THR A 100 -3.773 11.015 1.219 1.00 0.00 H new ATOM 0 HB THR A 100 -4.700 10.012 -0.862 1.00 0.00 H new ATOM 0 HG1 THR A 100 -2.673 10.331 -2.048 1.00 0.00 H new ATOM 0 HG21 THR A 100 -4.538 11.282 -2.977 1.00 0.00 H new ATOM 0 HG22 THR A 100 -5.782 11.930 -1.881 1.00 0.00 H new ATOM 0 HG23 THR A 100 -4.217 12.761 -2.041 1.00 0.00 H new ATOM 1455 N ASP A 101 -2.516 13.168 0.295 1.00 0.00 N ATOM 1456 CA ASP A 101 -1.892 14.486 0.275 1.00 0.00 C ATOM 1457 C ASP A 101 -2.262 15.243 -0.997 1.00 0.00 C ATOM 1458 O ASP A 101 -3.073 14.775 -1.796 1.00 0.00 O ATOM 1459 CB ASP A 101 -0.371 14.354 0.380 1.00 0.00 C ATOM 1460 CG ASP A 101 0.059 13.621 1.635 1.00 0.00 C ATOM 1461 OD1 ASP A 101 -0.708 13.630 2.621 1.00 0.00 O ATOM 1462 OD2 ASP A 101 1.164 13.037 1.632 1.00 0.00 O ATOM 0 H ASP A 101 -1.869 12.393 0.152 1.00 0.00 H new ATOM 0 HA ASP A 101 -2.261 15.049 1.132 1.00 0.00 H new ATOM 0 HB2 ASP A 101 0.006 13.824 -0.495 1.00 0.00 H new ATOM 0 HB3 ASP A 101 0.079 15.347 0.370 1.00 0.00 H new ATOM 1467 N LYS A 102 -1.661 16.415 -1.178 1.00 0.00 N ATOM 1468 CA LYS A 102 -1.928 17.237 -2.354 1.00 0.00 C ATOM 1469 C LYS A 102 -0.962 16.898 -3.486 1.00 0.00 C ATOM 1470 O LYS A 102 -1.339 16.254 -4.465 1.00 0.00 O ATOM 1471 CB LYS A 102 -1.820 18.722 -1.997 1.00 0.00 C ATOM 1472 CG LYS A 102 -3.096 19.504 -2.260 1.00 0.00 C ATOM 1473 CD LYS A 102 -4.116 19.297 -1.151 1.00 0.00 C ATOM 1474 CE LYS A 102 -5.194 18.308 -1.564 1.00 0.00 C ATOM 1475 NZ LYS A 102 -6.310 18.260 -0.580 1.00 0.00 N ATOM 0 H LYS A 102 -0.987 16.817 -0.527 1.00 0.00 H new ATOM 0 HA LYS A 102 -2.942 17.026 -2.694 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -1.557 18.816 -0.943 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -1.006 19.167 -2.570 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -2.862 20.565 -2.347 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -3.525 19.193 -3.213 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -3.612 18.935 -0.255 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -4.575 20.252 -0.895 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -5.585 18.585 -2.543 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -4.756 17.315 -1.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -7.024 17.574 -0.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -5.942 17.971 0.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -6.745 19.201 -0.502 1.00 0.00 H new ATOM 1489 N TRP A 103 0.285 17.340 -3.345 1.00 0.00 N ATOM 1490 CA TRP A 103 1.306 17.088 -4.354 1.00 0.00 C ATOM 1491 C TRP A 103 1.429 15.603 -4.679 1.00 0.00 C ATOM 1492 O TRP A 103 1.889 15.228 -5.758 1.00 0.00 O ATOM 1493 CB TRP A 103 2.641 17.636 -3.885 1.00 0.00 C ATOM 1494 CG TRP A 103 2.874 18.992 -4.423 1.00 0.00 C ATOM 1495 CD1 TRP A 103 2.957 20.146 -3.720 1.00 0.00 C ATOM 1496 CD2 TRP A 103 3.018 19.345 -5.799 1.00 0.00 C ATOM 1497 NE1 TRP A 103 3.155 21.187 -4.573 1.00 0.00 N ATOM 1498 CE2 TRP A 103 3.200 20.727 -5.842 1.00 0.00 C ATOM 1499 CE3 TRP A 103 3.018 18.629 -6.997 1.00 0.00 C ATOM 1500 CZ2 TRP A 103 3.379 21.426 -7.012 1.00 0.00 C ATOM 1501 CZ3 TRP A 103 3.198 19.323 -8.182 1.00 0.00 C ATOM 1502 CH2 TRP A 103 3.379 20.714 -8.181 1.00 0.00 C ATOM 0 H TRP A 103 0.612 17.875 -2.540 1.00 0.00 H new ATOM 0 HA TRP A 103 1.004 17.598 -5.269 1.00 0.00 H new ATOM 0 HB2 TRP A 103 2.664 17.664 -2.796 1.00 0.00 H new ATOM 0 HB3 TRP A 103 3.444 16.971 -4.204 1.00 0.00 H new ATOM 0 HD1 TRP A 103 2.878 20.228 -2.646 1.00 0.00 H new ATOM 0 HE1 TRP A 103 3.254 22.164 -4.297 1.00 0.00 H new ATOM 0 HE3 TRP A 103 2.881 17.558 -7.000 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 3.515 22.497 -7.009 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 3.199 18.786 -9.119 1.00 0.00 H new ATOM 0 HH2 TRP A 103 3.521 21.232 -9.118 1.00 0.00 H new ATOM 1513 N ASP A 104 1.013 14.763 -3.739 1.00 0.00 N ATOM 1514 CA ASP A 104 1.072 13.317 -3.920 1.00 0.00 C ATOM 1515 C ASP A 104 2.517 12.839 -4.032 1.00 0.00 C ATOM 1516 O ASP A 104 2.816 11.904 -4.774 1.00 0.00 O ATOM 1517 CB ASP A 104 0.284 12.902 -5.164 1.00 0.00 C ATOM 1518 CG ASP A 104 -0.754 11.838 -4.864 1.00 0.00 C ATOM 1519 OD1 ASP A 104 -0.404 10.641 -4.897 1.00 0.00 O ATOM 1520 OD2 ASP A 104 -1.917 12.204 -4.594 1.00 0.00 O ATOM 0 H ASP A 104 0.630 15.059 -2.841 1.00 0.00 H new ATOM 0 HA ASP A 104 0.622 12.849 -3.044 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -0.209 13.777 -5.587 1.00 0.00 H new ATOM 0 HB3 ASP A 104 0.975 12.529 -5.920 1.00 0.00 H new ATOM 1525 N PHE A 105 3.410 13.487 -3.290 1.00 0.00 N ATOM 1526 CA PHE A 105 4.824 13.126 -3.305 1.00 0.00 C ATOM 1527 C PHE A 105 5.405 13.252 -4.710 1.00 0.00 C ATOM 1528 O PHE A 105 4.674 13.448 -5.681 1.00 0.00 O ATOM 1529 CB PHE A 105 5.013 11.699 -2.789 1.00 0.00 C ATOM 1530 CG PHE A 105 6.277 11.509 -2.001 1.00 0.00 C ATOM 1531 CD1 PHE A 105 6.646 12.421 -1.025 1.00 0.00 C ATOM 1532 CD2 PHE A 105 7.099 10.417 -2.237 1.00 0.00 C ATOM 1533 CE1 PHE A 105 7.808 12.248 -0.298 1.00 0.00 C ATOM 1534 CE2 PHE A 105 8.264 10.240 -1.515 1.00 0.00 C ATOM 1535 CZ PHE A 105 8.619 11.156 -0.544 1.00 0.00 C ATOM 0 H PHE A 105 3.180 14.264 -2.671 1.00 0.00 H new ATOM 0 HA PHE A 105 5.355 13.816 -2.649 1.00 0.00 H new ATOM 0 HB2 PHE A 105 4.161 11.431 -2.164 1.00 0.00 H new ATOM 0 HB3 PHE A 105 5.015 11.012 -3.636 1.00 0.00 H new ATOM 0 HD1 PHE A 105 6.018 13.277 -0.830 1.00 0.00 H new ATOM 0 HD2 PHE A 105 6.825 9.697 -2.994 1.00 0.00 H new ATOM 0 HE1 PHE A 105 8.082 12.965 0.462 1.00 0.00 H new ATOM 0 HE2 PHE A 105 8.896 9.386 -1.710 1.00 0.00 H new ATOM 0 HZ PHE A 105 9.529 11.019 0.022 1.00 0.00 H new ATOM 1545 N TYR A 106 6.726 13.137 -4.810 1.00 0.00 N ATOM 1546 CA TYR A 106 7.408 13.237 -6.094 1.00 0.00 C ATOM 1547 C TYR A 106 8.756 12.522 -6.051 1.00 0.00 C ATOM 1548 O TYR A 106 9.628 12.871 -5.256 1.00 0.00 O ATOM 1549 CB TYR A 106 7.608 14.706 -6.471 1.00 0.00 C ATOM 1550 CG TYR A 106 7.362 14.997 -7.934 1.00 0.00 C ATOM 1551 CD1 TYR A 106 6.090 14.885 -8.478 1.00 0.00 C ATOM 1552 CD2 TYR A 106 8.402 15.385 -8.770 1.00 0.00 C ATOM 1553 CE1 TYR A 106 5.859 15.151 -9.814 1.00 0.00 C ATOM 1554 CE2 TYR A 106 8.179 15.653 -10.107 1.00 0.00 C ATOM 1555 CZ TYR A 106 6.907 15.534 -10.624 1.00 0.00 C ATOM 1556 OH TYR A 106 6.681 15.800 -11.955 1.00 0.00 O ATOM 0 H TYR A 106 7.345 12.974 -4.016 1.00 0.00 H new ATOM 0 HA TYR A 106 6.786 12.755 -6.849 1.00 0.00 H new ATOM 0 HB2 TYR A 106 6.938 15.321 -5.870 1.00 0.00 H new ATOM 0 HB3 TYR A 106 8.626 15.002 -6.217 1.00 0.00 H new ATOM 0 HD1 TYR A 106 5.267 14.585 -7.846 1.00 0.00 H new ATOM 0 HD2 TYR A 106 9.400 15.479 -8.368 1.00 0.00 H new ATOM 0 HE1 TYR A 106 4.863 15.059 -10.222 1.00 0.00 H new ATOM 0 HE2 TYR A 106 8.998 15.954 -10.744 1.00 0.00 H new ATOM 0 HH TYR A 106 7.523 16.058 -12.385 1.00 0.00 H new ATOM 1566 N CYS A 107 8.918 11.520 -6.911 1.00 0.00 N ATOM 1567 CA CYS A 107 10.161 10.758 -6.967 1.00 0.00 C ATOM 1568 C CYS A 107 11.340 11.664 -7.308 1.00 0.00 C ATOM 1569 O CYS A 107 11.697 11.822 -8.476 1.00 0.00 O ATOM 1570 CB CYS A 107 10.049 9.631 -7.998 1.00 0.00 C ATOM 1571 SG CYS A 107 10.376 7.970 -7.320 1.00 0.00 S ATOM 0 H CYS A 107 8.206 11.218 -7.576 1.00 0.00 H new ATOM 0 HA CYS A 107 10.335 10.322 -5.983 1.00 0.00 H new ATOM 0 HB2 CYS A 107 9.048 9.645 -8.430 1.00 0.00 H new ATOM 0 HB3 CYS A 107 10.749 9.825 -8.810 1.00 0.00 H new ATOM 1576 N GLN A 108 11.942 12.256 -6.282 1.00 0.00 N ATOM 1577 CA GLN A 108 13.081 13.146 -6.473 1.00 0.00 C ATOM 1578 C GLN A 108 14.190 12.830 -5.473 1.00 0.00 C ATOM 1579 O GLN A 108 13.865 12.405 -4.345 1.00 0.00 O ATOM 1580 CB GLN A 108 12.645 14.606 -6.327 1.00 0.00 C ATOM 1581 CG GLN A 108 12.394 15.300 -7.656 1.00 0.00 C ATOM 1582 CD GLN A 108 13.085 16.646 -7.752 1.00 0.00 C ATOM 1583 OE1 GLN A 108 13.735 16.954 -8.750 1.00 0.00 O ATOM 1584 NE2 GLN A 108 12.948 17.457 -6.707 1.00 0.00 N ATOM 1585 OXT GLN A 108 15.374 13.012 -5.827 1.00 0.00 O ATOM 0 H GLN A 108 11.660 12.135 -5.309 1.00 0.00 H new ATOM 0 HA GLN A 108 13.469 12.990 -7.480 1.00 0.00 H new ATOM 0 HB2 GLN A 108 11.736 14.647 -5.727 1.00 0.00 H new ATOM 0 HB3 GLN A 108 13.413 15.153 -5.780 1.00 0.00 H new ATOM 0 HG2 GLN A 108 12.741 14.659 -8.467 1.00 0.00 H new ATOM 0 HG3 GLN A 108 11.321 15.436 -7.793 1.00 0.00 H new ATOM 0 HE21 GLN A 108 12.399 17.160 -5.900 1.00 0.00 H new ATOM 0 HE22 GLN A 108 13.391 18.376 -6.713 1.00 0.00 H new TER 1594 GLN A 108