USER MOD reduce.3.24.130724 H: found=0, std=0, add=934, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 935 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 67 MET CE :methyl -159:sc= 0 (180deg=-0.29) USER MOD Set 1.2: A 86 THR OG1 : rot -88:sc= -1.85! USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ -160:sc= 1.29 (180deg=1.14) USER MOD Single : A 25 LYS NZ :NH3+ -137:sc= 0.373 (180deg=-1.71!) USER MOD Single : A 31 CYS SG : rot -170:sc= -2.27 USER MOD Single : A 33 THR OG1 : rot -154:sc= -1.8 USER MOD Single : A 34 THR OG1 : rot -36:sc= 0.458 USER MOD Single : A 36 CYS SG : rot 180:sc= 0.0978 USER MOD Single : A 39 CYS SG : rot 156:sc= -0.314 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 81:sc= 0.038 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -158:sc= -0.132 (180deg=-0.559) USER MOD Single : A 50 SER OG : rot 180:sc=0.000571 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc=-0.00482 K(o=-0.0048,f=-0.82) USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=-0.09) USER MOD Single : A 62 ASN : amide:sc= -3.36! C(o=-3.4!,f=-3.6!) USER MOD Single : A 64 LYS NZ :NH3+ -157:sc= 1.22 (180deg=0.806) USER MOD Single : A 65 MET CE :methyl 161:sc= -0.0664 (180deg=-0.55) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 159:sc= -0.052 (180deg=-0.341) USER MOD Single : A 78 LYS NZ :NH3+ 178:sc= 1.21 (180deg=1.17) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=-0.0075) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= -0.536 K(o=-0.54,f=-8.9!) USER MOD Single : A 92 SER OG : rot 180:sc= 0.0136 USER MOD Single : A 93 SER OG : rot -143:sc= 1.26 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 50 N GLY A 5 10.844 -2.739 8.068 1.00 0.00 N ATOM 51 CA GLY A 5 9.759 -2.299 7.226 1.00 0.00 C ATOM 52 C GLY A 5 9.074 -1.087 7.813 1.00 0.00 C ATOM 53 O GLY A 5 9.510 -0.559 8.839 1.00 0.00 O ATOM 0 HA2 GLY A 5 10.139 -2.061 6.232 1.00 0.00 H new ATOM 0 HA3 GLY A 5 9.037 -3.107 7.106 1.00 0.00 H new ATOM 57 N ILE A 6 8.002 -0.647 7.184 1.00 0.00 N ATOM 58 CA ILE A 6 7.263 0.480 7.651 1.00 0.00 C ATOM 59 C ILE A 6 6.078 -0.019 8.475 1.00 0.00 C ATOM 60 O ILE A 6 5.477 -1.044 8.146 1.00 0.00 O ATOM 61 CB ILE A 6 6.791 1.329 6.450 1.00 0.00 C ATOM 62 CG1 ILE A 6 5.757 2.316 6.902 1.00 0.00 C ATOM 63 CG2 ILE A 6 6.219 0.451 5.351 1.00 0.00 C ATOM 64 CD1 ILE A 6 6.303 3.413 7.785 1.00 0.00 C ATOM 0 H ILE A 6 7.629 -1.070 6.334 1.00 0.00 H new ATOM 0 HA ILE A 6 7.890 1.111 8.280 1.00 0.00 H new ATOM 0 HB ILE A 6 7.653 1.861 6.047 1.00 0.00 H new ATOM 0 HG12 ILE A 6 5.291 2.767 6.026 1.00 0.00 H new ATOM 0 HG13 ILE A 6 4.973 1.785 7.442 1.00 0.00 H new ATOM 0 HG21 ILE A 6 5.895 1.075 4.518 1.00 0.00 H new ATOM 0 HG22 ILE A 6 6.984 -0.245 5.006 1.00 0.00 H new ATOM 0 HG23 ILE A 6 5.367 -0.108 5.738 1.00 0.00 H new ATOM 0 HD11 ILE A 6 5.495 4.086 8.070 1.00 0.00 H new ATOM 0 HD12 ILE A 6 6.743 2.974 8.681 1.00 0.00 H new ATOM 0 HD13 ILE A 6 7.066 3.971 7.242 1.00 0.00 H new ATOM 76 N ALA A 7 5.753 0.686 9.547 1.00 0.00 N ATOM 77 CA ALA A 7 4.693 0.252 10.439 1.00 0.00 C ATOM 78 C ALA A 7 3.322 0.542 9.843 1.00 0.00 C ATOM 79 O ALA A 7 2.752 1.616 10.042 1.00 0.00 O ATOM 80 CB ALA A 7 4.836 0.917 11.798 1.00 0.00 C ATOM 0 H ALA A 7 6.207 1.558 9.819 1.00 0.00 H new ATOM 0 HA ALA A 7 4.782 -0.827 10.569 1.00 0.00 H new ATOM 0 HB1 ALA A 7 4.033 0.580 12.454 1.00 0.00 H new ATOM 0 HB2 ALA A 7 5.798 0.649 12.235 1.00 0.00 H new ATOM 0 HB3 ALA A 7 4.779 1.999 11.681 1.00 0.00 H new ATOM 86 N PHE A 8 2.822 -0.416 9.075 1.00 0.00 N ATOM 87 CA PHE A 8 1.483 -0.340 8.531 1.00 0.00 C ATOM 88 C PHE A 8 0.463 -0.390 9.657 1.00 0.00 C ATOM 89 O PHE A 8 0.672 -1.061 10.670 1.00 0.00 O ATOM 90 CB PHE A 8 1.227 -1.502 7.573 1.00 0.00 C ATOM 91 CG PHE A 8 2.115 -1.526 6.364 1.00 0.00 C ATOM 92 CD1 PHE A 8 1.878 -0.677 5.297 1.00 0.00 C ATOM 93 CD2 PHE A 8 3.178 -2.410 6.291 1.00 0.00 C ATOM 94 CE1 PHE A 8 2.686 -0.709 4.178 1.00 0.00 C ATOM 95 CE2 PHE A 8 3.987 -2.450 5.174 1.00 0.00 C ATOM 96 CZ PHE A 8 3.741 -1.596 4.116 1.00 0.00 C ATOM 0 H PHE A 8 3.333 -1.260 8.816 1.00 0.00 H new ATOM 0 HA PHE A 8 1.387 0.600 7.987 1.00 0.00 H new ATOM 0 HB2 PHE A 8 1.352 -2.438 8.117 1.00 0.00 H new ATOM 0 HB3 PHE A 8 0.189 -1.461 7.244 1.00 0.00 H new ATOM 0 HD1 PHE A 8 1.052 0.018 5.340 1.00 0.00 H new ATOM 0 HD2 PHE A 8 3.376 -3.076 7.118 1.00 0.00 H new ATOM 0 HE1 PHE A 8 2.492 -0.040 3.352 1.00 0.00 H new ATOM 0 HE2 PHE A 8 4.811 -3.147 5.127 1.00 0.00 H new ATOM 0 HZ PHE A 8 4.374 -1.623 3.241 1.00 0.00 H new ATOM 106 N ARG A 9 -0.630 0.324 9.488 1.00 0.00 N ATOM 107 CA ARG A 9 -1.711 0.282 10.451 1.00 0.00 C ATOM 108 C ARG A 9 -2.598 -0.911 10.157 1.00 0.00 C ATOM 109 O ARG A 9 -3.210 -0.993 9.092 1.00 0.00 O ATOM 110 CB ARG A 9 -2.532 1.574 10.413 1.00 0.00 C ATOM 111 CG ARG A 9 -1.718 2.825 10.703 1.00 0.00 C ATOM 112 CD ARG A 9 -0.992 2.720 12.034 1.00 0.00 C ATOM 113 NE ARG A 9 -0.208 3.914 12.327 1.00 0.00 N ATOM 114 CZ ARG A 9 0.808 3.951 13.189 1.00 0.00 C ATOM 115 NH1 ARG A 9 1.204 2.844 13.810 1.00 0.00 N ATOM 116 NH2 ARG A 9 1.445 5.093 13.416 1.00 0.00 N ATOM 0 H ARG A 9 -0.794 0.941 8.692 1.00 0.00 H new ATOM 0 HA ARG A 9 -1.287 0.185 11.450 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -2.994 1.672 9.431 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -3.341 1.501 11.140 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -0.994 2.983 9.904 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -2.376 3.694 10.713 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -1.718 2.559 12.831 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -0.335 1.850 12.021 1.00 0.00 H new ATOM 0 HE ARG A 9 -0.453 4.777 11.841 1.00 0.00 H new ATOM 0 HH11 ARG A 9 0.730 1.960 13.628 1.00 0.00 H new ATOM 0 HH12 ARG A 9 1.982 2.879 14.468 1.00 0.00 H new ATOM 0 HH21 ARG A 9 1.157 5.943 12.931 1.00 0.00 H new ATOM 0 HH22 ARG A 9 2.222 5.121 14.076 1.00 0.00 H new ATOM 130 N GLU A 10 -2.635 -1.855 11.078 1.00 0.00 N ATOM 131 CA GLU A 10 -3.484 -3.020 10.914 1.00 0.00 C ATOM 132 C GLU A 10 -4.817 -2.774 11.611 1.00 0.00 C ATOM 133 O GLU A 10 -4.978 -3.033 12.807 1.00 0.00 O ATOM 134 CB GLU A 10 -2.774 -4.260 11.469 1.00 0.00 C ATOM 135 CG GLU A 10 -1.415 -4.490 10.822 1.00 0.00 C ATOM 136 CD GLU A 10 -0.512 -5.405 11.625 1.00 0.00 C ATOM 137 OE1 GLU A 10 -0.073 -4.992 12.723 1.00 0.00 O ATOM 138 OE2 GLU A 10 -0.196 -6.515 11.144 1.00 0.00 O ATOM 0 H GLU A 10 -2.092 -1.839 11.941 1.00 0.00 H new ATOM 0 HA GLU A 10 -3.681 -3.196 9.857 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -2.647 -4.151 12.546 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -3.402 -5.137 11.310 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -1.561 -4.916 9.829 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -0.918 -3.529 10.687 1.00 0.00 H new ATOM 145 N LEU A 11 -5.762 -2.247 10.848 1.00 0.00 N ATOM 146 CA LEU A 11 -7.056 -1.846 11.365 1.00 0.00 C ATOM 147 C LEU A 11 -8.149 -2.217 10.378 1.00 0.00 C ATOM 148 O LEU A 11 -7.863 -2.588 9.240 1.00 0.00 O ATOM 149 CB LEU A 11 -7.098 -0.333 11.606 1.00 0.00 C ATOM 150 CG LEU A 11 -6.616 0.154 12.980 1.00 0.00 C ATOM 151 CD1 LEU A 11 -5.097 0.195 13.050 1.00 0.00 C ATOM 152 CD2 LEU A 11 -7.198 1.524 13.291 1.00 0.00 C ATOM 0 H LEU A 11 -5.650 -2.086 9.847 1.00 0.00 H new ATOM 0 HA LEU A 11 -7.218 -2.365 12.310 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.492 0.152 10.840 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -8.124 0.007 11.464 1.00 0.00 H new ATOM 0 HG LEU A 11 -6.967 -0.556 13.729 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -4.787 0.544 14.035 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -4.698 -0.804 12.877 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -4.716 0.875 12.288 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -6.847 1.855 14.268 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -6.879 2.236 12.530 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -8.286 1.464 13.298 1.00 0.00 H new ATOM 164 N SER A 12 -9.393 -2.124 10.823 1.00 0.00 N ATOM 165 CA SER A 12 -10.538 -2.348 9.953 1.00 0.00 C ATOM 166 C SER A 12 -10.553 -1.315 8.820 1.00 0.00 C ATOM 167 O SER A 12 -10.063 -0.194 8.989 1.00 0.00 O ATOM 168 CB SER A 12 -11.826 -2.256 10.773 1.00 0.00 C ATOM 169 OG SER A 12 -11.732 -3.042 11.952 1.00 0.00 O ATOM 0 H SER A 12 -9.636 -1.894 11.786 1.00 0.00 H new ATOM 0 HA SER A 12 -10.465 -3.342 9.511 1.00 0.00 H new ATOM 0 HB2 SER A 12 -12.020 -1.217 11.038 1.00 0.00 H new ATOM 0 HB3 SER A 12 -12.670 -2.594 10.172 1.00 0.00 H new ATOM 0 HG SER A 12 -12.565 -2.967 12.462 1.00 0.00 H new ATOM 175 N PHE A 13 -11.124 -1.691 7.678 1.00 0.00 N ATOM 176 CA PHE A 13 -11.136 -0.830 6.494 1.00 0.00 C ATOM 177 C PHE A 13 -11.740 0.555 6.788 1.00 0.00 C ATOM 178 O PHE A 13 -11.108 1.572 6.489 1.00 0.00 O ATOM 179 CB PHE A 13 -11.882 -1.512 5.337 1.00 0.00 C ATOM 180 CG PHE A 13 -11.864 -0.724 4.057 1.00 0.00 C ATOM 181 CD1 PHE A 13 -10.743 -0.730 3.242 1.00 0.00 C ATOM 182 CD2 PHE A 13 -12.967 0.017 3.669 1.00 0.00 C ATOM 183 CE1 PHE A 13 -10.723 -0.008 2.064 1.00 0.00 C ATOM 184 CE2 PHE A 13 -12.954 0.741 2.492 1.00 0.00 C ATOM 185 CZ PHE A 13 -11.830 0.728 1.688 1.00 0.00 C ATOM 0 H PHE A 13 -11.587 -2.590 7.546 1.00 0.00 H new ATOM 0 HA PHE A 13 -10.098 -0.672 6.200 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -11.437 -2.491 5.157 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -12.917 -1.682 5.634 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -9.876 -1.305 3.531 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -13.848 0.029 4.293 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -9.843 -0.019 1.438 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -13.821 1.316 2.201 1.00 0.00 H new ATOM 0 HZ PHE A 13 -11.817 1.292 0.767 1.00 0.00 H new ATOM 195 N PRO A 14 -12.965 0.631 7.370 1.00 0.00 N ATOM 196 CA PRO A 14 -13.591 1.915 7.715 1.00 0.00 C ATOM 197 C PRO A 14 -12.707 2.780 8.608 1.00 0.00 C ATOM 198 O PRO A 14 -12.654 3.997 8.443 1.00 0.00 O ATOM 199 CB PRO A 14 -14.877 1.520 8.456 1.00 0.00 C ATOM 200 CG PRO A 14 -14.712 0.079 8.796 1.00 0.00 C ATOM 201 CD PRO A 14 -13.846 -0.498 7.719 1.00 0.00 C ATOM 0 HA PRO A 14 -13.771 2.518 6.825 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -15.013 2.122 9.354 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -15.755 1.678 7.830 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -14.250 -0.041 9.776 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -15.677 -0.427 8.835 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -13.279 -1.359 8.073 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -14.433 -0.833 6.864 1.00 0.00 H new ATOM 209 N GLU A 15 -12.003 2.144 9.537 1.00 0.00 N ATOM 210 CA GLU A 15 -11.109 2.854 10.442 1.00 0.00 C ATOM 211 C GLU A 15 -9.928 3.455 9.695 1.00 0.00 C ATOM 212 O GLU A 15 -9.594 4.621 9.888 1.00 0.00 O ATOM 213 CB GLU A 15 -10.598 1.924 11.540 1.00 0.00 C ATOM 214 CG GLU A 15 -11.564 1.751 12.696 1.00 0.00 C ATOM 215 CD GLU A 15 -11.906 3.067 13.364 1.00 0.00 C ATOM 216 OE1 GLU A 15 -10.979 3.787 13.787 1.00 0.00 O ATOM 217 OE2 GLU A 15 -13.110 3.383 13.480 1.00 0.00 O ATOM 0 H GLU A 15 -12.035 1.135 9.683 1.00 0.00 H new ATOM 0 HA GLU A 15 -11.682 3.663 10.895 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -10.387 0.947 11.106 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -9.654 2.313 11.923 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -12.479 1.282 12.334 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -11.128 1.075 13.432 1.00 0.00 H new ATOM 224 N ALA A 16 -9.302 2.656 8.843 1.00 0.00 N ATOM 225 CA ALA A 16 -8.135 3.103 8.092 1.00 0.00 C ATOM 226 C ALA A 16 -8.469 4.317 7.232 1.00 0.00 C ATOM 227 O ALA A 16 -7.726 5.301 7.209 1.00 0.00 O ATOM 228 CB ALA A 16 -7.602 1.973 7.230 1.00 0.00 C ATOM 0 H ALA A 16 -9.582 1.694 8.654 1.00 0.00 H new ATOM 0 HA ALA A 16 -7.364 3.397 8.804 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.731 2.319 6.674 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -7.317 1.134 7.865 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -8.375 1.653 6.531 1.00 0.00 H new ATOM 234 N LEU A 17 -9.602 4.244 6.546 1.00 0.00 N ATOM 235 CA LEU A 17 -10.065 5.339 5.704 1.00 0.00 C ATOM 236 C LEU A 17 -10.346 6.565 6.554 1.00 0.00 C ATOM 237 O LEU A 17 -9.971 7.680 6.205 1.00 0.00 O ATOM 238 CB LEU A 17 -11.334 4.928 4.962 1.00 0.00 C ATOM 239 CG LEU A 17 -11.790 5.893 3.863 1.00 0.00 C ATOM 240 CD1 LEU A 17 -10.722 6.023 2.787 1.00 0.00 C ATOM 241 CD2 LEU A 17 -13.106 5.430 3.258 1.00 0.00 C ATOM 0 H LEU A 17 -10.220 3.433 6.557 1.00 0.00 H new ATOM 0 HA LEU A 17 -9.287 5.576 4.978 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -11.173 3.946 4.517 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -12.141 4.821 5.687 1.00 0.00 H new ATOM 0 HG LEU A 17 -11.945 6.874 4.311 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -11.065 6.713 2.016 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -9.802 6.404 3.231 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -10.533 5.046 2.342 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -13.414 6.128 2.479 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -12.979 4.437 2.826 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -13.870 5.392 4.034 1.00 0.00 H new ATOM 253 N LYS A 18 -11.013 6.329 7.671 1.00 0.00 N ATOM 254 CA LYS A 18 -11.327 7.358 8.639 1.00 0.00 C ATOM 255 C LYS A 18 -10.070 8.091 9.106 1.00 0.00 C ATOM 256 O LYS A 18 -10.039 9.320 9.145 1.00 0.00 O ATOM 257 CB LYS A 18 -12.013 6.686 9.816 1.00 0.00 C ATOM 258 CG LYS A 18 -12.506 7.622 10.889 1.00 0.00 C ATOM 259 CD LYS A 18 -13.179 6.833 11.990 1.00 0.00 C ATOM 260 CE LYS A 18 -14.299 5.956 11.445 1.00 0.00 C ATOM 261 NZ LYS A 18 -14.886 5.083 12.491 1.00 0.00 N ATOM 0 H LYS A 18 -11.355 5.404 7.931 1.00 0.00 H new ATOM 0 HA LYS A 18 -11.978 8.104 8.183 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -12.859 6.109 9.442 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -11.317 5.977 10.265 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -11.672 8.194 11.297 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -13.207 8.340 10.464 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -12.441 6.210 12.496 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -13.582 7.518 12.736 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -15.080 6.588 11.021 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -13.913 5.339 10.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -15.383 4.288 12.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -14.129 4.717 13.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -15.558 5.632 13.064 1.00 0.00 H new ATOM 275 N ARG A 19 -9.038 7.330 9.453 1.00 0.00 N ATOM 276 CA ARG A 19 -7.790 7.905 9.931 1.00 0.00 C ATOM 277 C ARG A 19 -7.130 8.757 8.850 1.00 0.00 C ATOM 278 O ARG A 19 -6.599 9.831 9.137 1.00 0.00 O ATOM 279 CB ARG A 19 -6.839 6.800 10.399 1.00 0.00 C ATOM 280 CG ARG A 19 -7.420 5.935 11.508 1.00 0.00 C ATOM 281 CD ARG A 19 -7.835 6.769 12.710 1.00 0.00 C ATOM 282 NE ARG A 19 -8.959 6.166 13.426 1.00 0.00 N ATOM 283 CZ ARG A 19 -9.735 6.823 14.288 1.00 0.00 C ATOM 284 NH1 ARG A 19 -9.446 8.071 14.638 1.00 0.00 N ATOM 285 NH2 ARG A 19 -10.794 6.217 14.810 1.00 0.00 N ATOM 0 H ARG A 19 -9.043 6.311 9.411 1.00 0.00 H new ATOM 0 HA ARG A 19 -8.017 8.552 10.778 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -6.584 6.166 9.550 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -5.911 7.253 10.749 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -8.283 5.388 11.129 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -6.683 5.194 11.816 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -6.988 6.877 13.388 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -8.109 7.771 12.380 1.00 0.00 H new ATOM 0 HE ARG A 19 -9.162 5.181 13.255 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -8.625 8.533 14.247 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -10.045 8.567 15.298 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -11.010 5.254 14.551 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -11.392 6.714 15.470 1.00 0.00 H new ATOM 299 N ALA A 20 -7.181 8.284 7.608 1.00 0.00 N ATOM 300 CA ALA A 20 -6.648 9.038 6.477 1.00 0.00 C ATOM 301 C ALA A 20 -7.454 10.314 6.259 1.00 0.00 C ATOM 302 O ALA A 20 -6.891 11.393 6.092 1.00 0.00 O ATOM 303 CB ALA A 20 -6.659 8.182 5.218 1.00 0.00 C ATOM 0 H ALA A 20 -7.586 7.382 7.359 1.00 0.00 H new ATOM 0 HA ALA A 20 -5.618 9.315 6.700 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -6.259 8.757 4.383 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -6.044 7.296 5.375 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -7.682 7.879 4.993 1.00 0.00 H new ATOM 309 N GLU A 21 -8.776 10.170 6.276 1.00 0.00 N ATOM 310 CA GLU A 21 -9.704 11.289 6.109 1.00 0.00 C ATOM 311 C GLU A 21 -9.424 12.403 7.119 1.00 0.00 C ATOM 312 O GLU A 21 -9.383 13.583 6.766 1.00 0.00 O ATOM 313 CB GLU A 21 -11.145 10.786 6.287 1.00 0.00 C ATOM 314 CG GLU A 21 -12.205 11.877 6.248 1.00 0.00 C ATOM 315 CD GLU A 21 -12.509 12.359 4.847 1.00 0.00 C ATOM 316 OE1 GLU A 21 -11.787 13.240 4.341 1.00 0.00 O ATOM 317 OE2 GLU A 21 -13.489 11.869 4.253 1.00 0.00 O ATOM 0 H GLU A 21 -9.238 9.270 6.407 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.568 11.698 5.108 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -11.362 10.059 5.504 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -11.218 10.261 7.239 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -13.121 11.501 6.703 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -11.872 12.721 6.852 1.00 0.00 H new ATOM 324 N VAL A 22 -9.224 12.015 8.368 1.00 0.00 N ATOM 325 CA VAL A 22 -9.092 12.974 9.455 1.00 0.00 C ATOM 326 C VAL A 22 -7.660 13.482 9.620 1.00 0.00 C ATOM 327 O VAL A 22 -7.420 14.689 9.598 1.00 0.00 O ATOM 328 CB VAL A 22 -9.566 12.366 10.795 1.00 0.00 C ATOM 329 CG1 VAL A 22 -9.375 13.353 11.939 1.00 0.00 C ATOM 330 CG2 VAL A 22 -11.022 11.932 10.700 1.00 0.00 C ATOM 0 H VAL A 22 -9.149 11.039 8.656 1.00 0.00 H new ATOM 0 HA VAL A 22 -9.726 13.819 9.187 1.00 0.00 H new ATOM 0 HB VAL A 22 -8.956 11.487 11.002 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -9.716 12.901 12.870 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -8.319 13.610 12.026 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -9.953 14.256 11.741 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -11.338 11.507 11.653 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -11.644 12.795 10.464 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -11.128 11.183 9.915 1.00 0.00 H new ATOM 340 N GLU A 23 -6.714 12.568 9.772 1.00 0.00 N ATOM 341 CA GLU A 23 -5.373 12.934 10.210 1.00 0.00 C ATOM 342 C GLU A 23 -4.419 13.178 9.044 1.00 0.00 C ATOM 343 O GLU A 23 -3.485 13.973 9.156 1.00 0.00 O ATOM 344 CB GLU A 23 -4.810 11.846 11.128 1.00 0.00 C ATOM 345 CG GLU A 23 -3.463 12.200 11.739 1.00 0.00 C ATOM 346 CD GLU A 23 -3.019 11.200 12.781 1.00 0.00 C ATOM 347 OE1 GLU A 23 -3.495 11.291 13.930 1.00 0.00 O ATOM 348 OE2 GLU A 23 -2.201 10.314 12.458 1.00 0.00 O ATOM 0 H GLU A 23 -6.847 11.572 9.600 1.00 0.00 H new ATOM 0 HA GLU A 23 -5.458 13.874 10.755 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -5.523 11.654 11.929 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -4.710 10.920 10.561 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.713 12.255 10.950 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -3.522 13.190 12.192 1.00 0.00 H new ATOM 355 N ASP A 24 -4.642 12.510 7.926 1.00 0.00 N ATOM 356 CA ASP A 24 -3.694 12.595 6.827 1.00 0.00 C ATOM 357 C ASP A 24 -4.378 13.019 5.533 1.00 0.00 C ATOM 358 O ASP A 24 -5.297 13.838 5.547 1.00 0.00 O ATOM 359 CB ASP A 24 -2.962 11.264 6.655 1.00 0.00 C ATOM 360 CG ASP A 24 -1.659 11.426 5.899 1.00 0.00 C ATOM 361 OD1 ASP A 24 -0.667 11.867 6.512 1.00 0.00 O ATOM 362 OD2 ASP A 24 -1.635 11.154 4.680 1.00 0.00 O ATOM 0 H ASP A 24 -5.452 11.915 7.755 1.00 0.00 H new ATOM 0 HA ASP A 24 -2.960 13.363 7.070 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -2.761 10.832 7.635 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -3.605 10.563 6.123 1.00 0.00 H new ATOM 367 N LYS A 25 -3.923 12.471 4.421 1.00 0.00 N ATOM 368 CA LYS A 25 -4.347 12.936 3.116 1.00 0.00 C ATOM 369 C LYS A 25 -4.820 11.791 2.225 1.00 0.00 C ATOM 370 O LYS A 25 -5.809 11.927 1.509 1.00 0.00 O ATOM 371 CB LYS A 25 -3.189 13.701 2.467 1.00 0.00 C ATOM 372 CG LYS A 25 -2.057 12.834 1.940 1.00 0.00 C ATOM 373 CD LYS A 25 -0.792 13.656 1.734 1.00 0.00 C ATOM 374 CE LYS A 25 -0.258 14.198 3.056 1.00 0.00 C ATOM 375 NZ LYS A 25 0.170 13.112 3.983 1.00 0.00 N ATOM 0 H LYS A 25 -3.256 11.699 4.398 1.00 0.00 H new ATOM 0 HA LYS A 25 -5.203 13.599 3.240 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -3.584 14.296 1.643 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.781 14.399 3.198 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -1.858 12.023 2.641 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -2.354 12.375 0.997 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -0.030 13.040 1.257 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -1.001 14.485 1.057 1.00 0.00 H new ATOM 0 HE2 LYS A 25 0.586 14.859 2.860 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -1.029 14.800 3.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -0.160 13.327 4.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -0.239 12.208 3.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 1.208 13.042 3.980 1.00 0.00 H new ATOM 389 N LEU A 26 -4.124 10.664 2.281 1.00 0.00 N ATOM 390 CA LEU A 26 -4.437 9.528 1.421 1.00 0.00 C ATOM 391 C LEU A 26 -4.254 8.221 2.174 1.00 0.00 C ATOM 392 O LEU A 26 -3.646 8.190 3.246 1.00 0.00 O ATOM 393 CB LEU A 26 -3.544 9.532 0.174 1.00 0.00 C ATOM 394 CG LEU A 26 -3.750 10.709 -0.783 1.00 0.00 C ATOM 395 CD1 LEU A 26 -2.700 10.694 -1.882 1.00 0.00 C ATOM 396 CD2 LEU A 26 -5.147 10.668 -1.386 1.00 0.00 C ATOM 0 H LEU A 26 -3.338 10.511 2.913 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.478 9.618 1.112 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -2.502 9.526 0.495 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.714 8.606 -0.376 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.644 11.634 -0.216 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.863 11.538 -2.552 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.707 10.769 -1.438 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.776 9.764 -2.445 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -5.276 11.512 -2.064 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -5.278 9.737 -1.937 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.889 10.726 -0.590 1.00 0.00 H new ATOM 408 N LEU A 27 -4.773 7.148 1.602 1.00 0.00 N ATOM 409 CA LEU A 27 -4.663 5.831 2.199 1.00 0.00 C ATOM 410 C LEU A 27 -3.858 4.905 1.292 1.00 0.00 C ATOM 411 O LEU A 27 -4.285 4.564 0.187 1.00 0.00 O ATOM 412 CB LEU A 27 -6.056 5.248 2.458 1.00 0.00 C ATOM 413 CG LEU A 27 -6.079 3.888 3.163 1.00 0.00 C ATOM 414 CD1 LEU A 27 -5.463 3.987 4.552 1.00 0.00 C ATOM 415 CD2 LEU A 27 -7.503 3.361 3.243 1.00 0.00 C ATOM 0 H LEU A 27 -5.279 7.166 0.717 1.00 0.00 H new ATOM 0 HA LEU A 27 -4.142 5.921 3.152 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -6.623 5.959 3.059 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.574 5.152 1.504 1.00 0.00 H new ATOM 0 HG LEU A 27 -5.481 3.187 2.580 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.491 3.009 5.033 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -4.429 4.321 4.468 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -6.028 4.702 5.150 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -7.505 2.394 3.746 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -8.120 4.063 3.804 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.906 3.247 2.237 1.00 0.00 H new ATOM 427 N PHE A 28 -2.683 4.522 1.761 1.00 0.00 N ATOM 428 CA PHE A 28 -1.824 3.600 1.037 1.00 0.00 C ATOM 429 C PHE A 28 -2.103 2.179 1.501 1.00 0.00 C ATOM 430 O PHE A 28 -1.733 1.797 2.611 1.00 0.00 O ATOM 431 CB PHE A 28 -0.348 3.961 1.257 1.00 0.00 C ATOM 432 CG PHE A 28 0.620 2.971 0.674 1.00 0.00 C ATOM 433 CD1 PHE A 28 0.822 2.897 -0.693 1.00 0.00 C ATOM 434 CD2 PHE A 28 1.332 2.115 1.500 1.00 0.00 C ATOM 435 CE1 PHE A 28 1.715 1.989 -1.226 1.00 0.00 C ATOM 436 CE2 PHE A 28 2.226 1.205 0.972 1.00 0.00 C ATOM 437 CZ PHE A 28 2.418 1.142 -0.393 1.00 0.00 C ATOM 0 H PHE A 28 -2.298 4.840 2.651 1.00 0.00 H new ATOM 0 HA PHE A 28 -2.035 3.673 -0.030 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -0.156 4.941 0.820 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -0.162 4.047 2.328 1.00 0.00 H new ATOM 0 HD1 PHE A 28 0.275 3.557 -1.350 1.00 0.00 H new ATOM 0 HD2 PHE A 28 1.186 2.161 2.569 1.00 0.00 H new ATOM 0 HE1 PHE A 28 1.864 1.941 -2.295 1.00 0.00 H new ATOM 0 HE2 PHE A 28 2.774 0.543 1.626 1.00 0.00 H new ATOM 0 HZ PHE A 28 3.117 0.431 -0.809 1.00 0.00 H new ATOM 447 N VAL A 29 -2.769 1.406 0.664 1.00 0.00 N ATOM 448 CA VAL A 29 -3.171 0.063 1.039 1.00 0.00 C ATOM 449 C VAL A 29 -2.192 -0.973 0.503 1.00 0.00 C ATOM 450 O VAL A 29 -2.101 -1.197 -0.707 1.00 0.00 O ATOM 451 CB VAL A 29 -4.593 -0.267 0.534 1.00 0.00 C ATOM 452 CG1 VAL A 29 -5.047 -1.627 1.045 1.00 0.00 C ATOM 453 CG2 VAL A 29 -5.574 0.821 0.946 1.00 0.00 C ATOM 0 H VAL A 29 -3.043 1.684 -0.278 1.00 0.00 H new ATOM 0 HA VAL A 29 -3.170 0.026 2.128 1.00 0.00 H new ATOM 0 HB VAL A 29 -4.567 -0.308 -0.555 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -6.051 -1.838 0.676 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.361 -2.396 0.690 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -5.054 -1.622 2.135 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -6.570 0.570 0.581 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -5.595 0.899 2.033 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -5.261 1.774 0.520 1.00 0.00 H new ATOM 463 N ASP A 30 -1.454 -1.583 1.415 1.00 0.00 N ATOM 464 CA ASP A 30 -0.554 -2.677 1.082 1.00 0.00 C ATOM 465 C ASP A 30 -1.315 -3.989 1.112 1.00 0.00 C ATOM 466 O ASP A 30 -1.776 -4.419 2.166 1.00 0.00 O ATOM 467 CB ASP A 30 0.616 -2.726 2.074 1.00 0.00 C ATOM 468 CG ASP A 30 1.414 -4.018 1.993 1.00 0.00 C ATOM 469 OD1 ASP A 30 2.084 -4.243 0.964 1.00 0.00 O ATOM 470 OD2 ASP A 30 1.383 -4.801 2.972 1.00 0.00 O ATOM 0 H ASP A 30 -1.461 -1.336 2.405 1.00 0.00 H new ATOM 0 HA ASP A 30 -0.154 -2.515 0.081 1.00 0.00 H new ATOM 0 HB2 ASP A 30 1.281 -1.883 1.884 1.00 0.00 H new ATOM 0 HB3 ASP A 30 0.231 -2.607 3.087 1.00 0.00 H new ATOM 475 N CYS A 31 -1.495 -4.594 -0.047 1.00 0.00 N ATOM 476 CA CYS A 31 -2.171 -5.874 -0.129 1.00 0.00 C ATOM 477 C CYS A 31 -1.188 -6.954 -0.532 1.00 0.00 C ATOM 478 O CYS A 31 -0.669 -6.959 -1.652 1.00 0.00 O ATOM 479 CB CYS A 31 -3.331 -5.809 -1.120 1.00 0.00 C ATOM 480 SG CYS A 31 -4.631 -4.649 -0.641 1.00 0.00 S ATOM 0 H CYS A 31 -1.183 -4.220 -0.943 1.00 0.00 H new ATOM 0 HA CYS A 31 -2.578 -6.117 0.853 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -2.945 -5.525 -2.099 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -3.764 -6.804 -1.224 1.00 0.00 H new ATOM 0 HG CYS A 31 -5.662 -4.808 -1.417 1.00 0.00 H new ATOM 486 N PHE A 32 -0.933 -7.867 0.382 1.00 0.00 N ATOM 487 CA PHE A 32 0.056 -8.897 0.158 1.00 0.00 C ATOM 488 C PHE A 32 -0.550 -10.279 0.336 1.00 0.00 C ATOM 489 O PHE A 32 -1.577 -10.451 0.998 1.00 0.00 O ATOM 490 CB PHE A 32 1.241 -8.718 1.117 1.00 0.00 C ATOM 491 CG PHE A 32 0.918 -9.028 2.554 1.00 0.00 C ATOM 492 CD1 PHE A 32 0.211 -8.126 3.333 1.00 0.00 C ATOM 493 CD2 PHE A 32 1.325 -10.223 3.125 1.00 0.00 C ATOM 494 CE1 PHE A 32 -0.087 -8.413 4.650 1.00 0.00 C ATOM 495 CE2 PHE A 32 1.030 -10.516 4.442 1.00 0.00 C ATOM 496 CZ PHE A 32 0.324 -9.609 5.206 1.00 0.00 C ATOM 0 H PHE A 32 -1.399 -7.916 1.288 1.00 0.00 H new ATOM 0 HA PHE A 32 0.412 -8.805 -0.868 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.058 -9.362 0.792 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.598 -7.690 1.049 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -0.110 -7.188 2.905 1.00 0.00 H new ATOM 0 HD2 PHE A 32 1.880 -10.935 2.532 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -0.641 -7.703 5.246 1.00 0.00 H new ATOM 0 HE2 PHE A 32 1.351 -11.453 4.873 1.00 0.00 H new ATOM 0 HZ PHE A 32 0.093 -9.834 6.237 1.00 0.00 H new ATOM 506 N THR A 33 0.079 -11.251 -0.289 1.00 0.00 N ATOM 507 CA THR A 33 -0.251 -12.643 -0.074 1.00 0.00 C ATOM 508 C THR A 33 0.799 -13.254 0.854 1.00 0.00 C ATOM 509 O THR A 33 1.898 -12.715 0.978 1.00 0.00 O ATOM 510 CB THR A 33 -0.288 -13.400 -1.418 1.00 0.00 C ATOM 511 OG1 THR A 33 -1.106 -12.679 -2.346 1.00 0.00 O ATOM 512 CG2 THR A 33 -0.838 -14.812 -1.257 1.00 0.00 C ATOM 0 H THR A 33 0.832 -11.099 -0.959 1.00 0.00 H new ATOM 0 HA THR A 33 -1.237 -12.723 0.383 1.00 0.00 H new ATOM 0 HB THR A 33 0.734 -13.476 -1.788 1.00 0.00 H new ATOM 0 HG1 THR A 33 -1.471 -13.299 -3.011 1.00 0.00 H new ATOM 0 HG21 THR A 33 -0.848 -15.311 -2.226 1.00 0.00 H new ATOM 0 HG22 THR A 33 -0.207 -15.372 -0.566 1.00 0.00 H new ATOM 0 HG23 THR A 33 -1.853 -14.764 -0.863 1.00 0.00 H new ATOM 520 N THR A 34 0.467 -14.366 1.500 1.00 0.00 N ATOM 521 CA THR A 34 1.397 -15.053 2.396 1.00 0.00 C ATOM 522 C THR A 34 2.606 -15.622 1.629 1.00 0.00 C ATOM 523 O THR A 34 3.485 -16.261 2.208 1.00 0.00 O ATOM 524 CB THR A 34 0.674 -16.185 3.165 1.00 0.00 C ATOM 525 OG1 THR A 34 1.520 -16.720 4.192 1.00 0.00 O ATOM 526 CG2 THR A 34 0.241 -17.300 2.220 1.00 0.00 C ATOM 0 H THR A 34 -0.445 -14.815 1.421 1.00 0.00 H new ATOM 0 HA THR A 34 1.768 -14.318 3.111 1.00 0.00 H new ATOM 0 HB THR A 34 -0.215 -15.756 3.626 1.00 0.00 H new ATOM 0 HG1 THR A 34 2.448 -16.730 3.879 1.00 0.00 H new ATOM 0 HG21 THR A 34 -0.264 -18.082 2.787 1.00 0.00 H new ATOM 0 HG22 THR A 34 -0.440 -16.898 1.470 1.00 0.00 H new ATOM 0 HG23 THR A 34 1.118 -17.719 1.726 1.00 0.00 H new ATOM 534 N TRP A 35 2.644 -15.357 0.328 1.00 0.00 N ATOM 535 CA TRP A 35 3.724 -15.791 -0.535 1.00 0.00 C ATOM 536 C TRP A 35 5.052 -15.214 -0.050 1.00 0.00 C ATOM 537 O TRP A 35 5.194 -14.000 0.107 1.00 0.00 O ATOM 538 CB TRP A 35 3.419 -15.326 -1.958 1.00 0.00 C ATOM 539 CG TRP A 35 4.277 -15.953 -3.004 1.00 0.00 C ATOM 540 CD1 TRP A 35 5.357 -15.397 -3.616 1.00 0.00 C ATOM 541 CD2 TRP A 35 4.115 -17.253 -3.572 1.00 0.00 C ATOM 542 NE1 TRP A 35 5.883 -16.273 -4.531 1.00 0.00 N ATOM 543 CE2 TRP A 35 5.136 -17.423 -4.523 1.00 0.00 C ATOM 544 CE3 TRP A 35 3.205 -18.288 -3.363 1.00 0.00 C ATOM 545 CZ2 TRP A 35 5.270 -18.592 -5.266 1.00 0.00 C ATOM 546 CZ3 TRP A 35 3.337 -19.449 -4.100 1.00 0.00 C ATOM 547 CH2 TRP A 35 4.363 -19.594 -5.043 1.00 0.00 C ATOM 0 H TRP A 35 1.917 -14.830 -0.157 1.00 0.00 H new ATOM 0 HA TRP A 35 3.807 -16.878 -0.515 1.00 0.00 H new ATOM 0 HB2 TRP A 35 2.375 -15.543 -2.183 1.00 0.00 H new ATOM 0 HB3 TRP A 35 3.538 -14.244 -2.008 1.00 0.00 H new ATOM 0 HD1 TRP A 35 5.744 -14.410 -3.411 1.00 0.00 H new ATOM 0 HE1 TRP A 35 6.697 -16.098 -5.121 1.00 0.00 H new ATOM 0 HE3 TRP A 35 2.411 -18.184 -2.638 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 6.061 -18.705 -5.993 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 2.638 -20.258 -3.947 1.00 0.00 H new ATOM 0 HH2 TRP A 35 4.440 -20.513 -5.605 1.00 0.00 H new ATOM 558 N CYS A 36 6.022 -16.086 0.176 1.00 0.00 N ATOM 559 CA CYS A 36 7.297 -15.690 0.762 1.00 0.00 C ATOM 560 C CYS A 36 8.262 -15.134 -0.287 1.00 0.00 C ATOM 561 O CYS A 36 9.483 -15.198 -0.118 1.00 0.00 O ATOM 562 CB CYS A 36 7.924 -16.893 1.465 1.00 0.00 C ATOM 563 SG CYS A 36 8.062 -18.362 0.418 1.00 0.00 S ATOM 0 H CYS A 36 5.951 -17.081 -0.039 1.00 0.00 H new ATOM 0 HA CYS A 36 7.106 -14.893 1.481 1.00 0.00 H new ATOM 0 HB2 CYS A 36 8.917 -16.617 1.820 1.00 0.00 H new ATOM 0 HB3 CYS A 36 7.328 -17.140 2.344 1.00 0.00 H new ATOM 0 HG CYS A 36 8.606 -19.329 1.096 1.00 0.00 H new ATOM 569 N GLY A 37 7.713 -14.565 -1.351 1.00 0.00 N ATOM 570 CA GLY A 37 8.538 -14.034 -2.420 1.00 0.00 C ATOM 571 C GLY A 37 8.549 -12.514 -2.451 1.00 0.00 C ATOM 572 O GLY A 37 9.061 -11.879 -1.526 1.00 0.00 O ATOM 0 H GLY A 37 6.708 -14.461 -1.494 1.00 0.00 H new ATOM 0 HA2 GLY A 37 9.558 -14.399 -2.302 1.00 0.00 H new ATOM 0 HA3 GLY A 37 8.174 -14.410 -3.376 1.00 0.00 H new ATOM 576 N PRO A 38 7.972 -11.908 -3.507 1.00 0.00 N ATOM 577 CA PRO A 38 7.958 -10.446 -3.704 1.00 0.00 C ATOM 578 C PRO A 38 7.476 -9.663 -2.482 1.00 0.00 C ATOM 579 O PRO A 38 8.011 -8.599 -2.176 1.00 0.00 O ATOM 580 CB PRO A 38 6.982 -10.259 -4.866 1.00 0.00 C ATOM 581 CG PRO A 38 7.062 -11.532 -5.632 1.00 0.00 C ATOM 582 CD PRO A 38 7.296 -12.613 -4.613 1.00 0.00 C ATOM 0 HA PRO A 38 8.963 -10.066 -3.888 1.00 0.00 H new ATOM 0 HB2 PRO A 38 5.969 -10.075 -4.507 1.00 0.00 H new ATOM 0 HB3 PRO A 38 7.261 -9.406 -5.485 1.00 0.00 H new ATOM 0 HG2 PRO A 38 6.142 -11.712 -6.188 1.00 0.00 H new ATOM 0 HG3 PRO A 38 7.873 -11.499 -6.360 1.00 0.00 H new ATOM 0 HD2 PRO A 38 6.360 -13.066 -4.287 1.00 0.00 H new ATOM 0 HD3 PRO A 38 7.915 -13.415 -5.015 1.00 0.00 H new ATOM 590 N CYS A 39 6.471 -10.190 -1.788 1.00 0.00 N ATOM 591 CA CYS A 39 5.905 -9.519 -0.622 1.00 0.00 C ATOM 592 C CYS A 39 6.959 -9.302 0.466 1.00 0.00 C ATOM 593 O CYS A 39 6.928 -8.302 1.182 1.00 0.00 O ATOM 594 CB CYS A 39 4.732 -10.333 -0.076 1.00 0.00 C ATOM 595 SG CYS A 39 3.409 -10.594 -1.288 1.00 0.00 S ATOM 0 H CYS A 39 6.031 -11.082 -2.014 1.00 0.00 H new ATOM 0 HA CYS A 39 5.548 -8.537 -0.933 1.00 0.00 H new ATOM 0 HB2 CYS A 39 5.099 -11.301 0.264 1.00 0.00 H new ATOM 0 HB3 CYS A 39 4.321 -9.824 0.796 1.00 0.00 H new ATOM 0 HG CYS A 39 2.733 -11.658 -0.970 1.00 0.00 H new ATOM 601 N LYS A 40 7.893 -10.237 0.581 1.00 0.00 N ATOM 602 CA LYS A 40 8.974 -10.114 1.550 1.00 0.00 C ATOM 603 C LYS A 40 10.065 -9.186 1.025 1.00 0.00 C ATOM 604 O LYS A 40 10.570 -8.330 1.751 1.00 0.00 O ATOM 605 CB LYS A 40 9.567 -11.491 1.871 1.00 0.00 C ATOM 606 CG LYS A 40 10.744 -11.442 2.835 1.00 0.00 C ATOM 607 CD LYS A 40 11.367 -12.814 3.029 1.00 0.00 C ATOM 608 CE LYS A 40 12.627 -12.735 3.877 1.00 0.00 C ATOM 609 NZ LYS A 40 13.275 -14.063 4.040 1.00 0.00 N ATOM 0 H LYS A 40 7.924 -11.086 0.017 1.00 0.00 H new ATOM 0 HA LYS A 40 8.563 -9.686 2.464 1.00 0.00 H new ATOM 0 HB2 LYS A 40 8.787 -12.122 2.296 1.00 0.00 H new ATOM 0 HB3 LYS A 40 9.889 -11.963 0.943 1.00 0.00 H new ATOM 0 HG2 LYS A 40 11.497 -10.751 2.456 1.00 0.00 H new ATOM 0 HG3 LYS A 40 10.411 -11.054 3.797 1.00 0.00 H new ATOM 0 HD2 LYS A 40 10.647 -13.479 3.506 1.00 0.00 H new ATOM 0 HD3 LYS A 40 11.606 -13.247 2.058 1.00 0.00 H new ATOM 0 HE2 LYS A 40 13.331 -12.043 3.416 1.00 0.00 H new ATOM 0 HE3 LYS A 40 12.378 -12.330 4.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 14.129 -13.963 4.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 12.613 -14.718 4.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 13.536 -14.439 3.106 1.00 0.00 H new ATOM 623 N ARG A 41 10.413 -9.355 -0.245 1.00 0.00 N ATOM 624 CA ARG A 41 11.476 -8.571 -0.863 1.00 0.00 C ATOM 625 C ARG A 41 11.113 -7.086 -0.875 1.00 0.00 C ATOM 626 O ARG A 41 11.969 -6.227 -0.663 1.00 0.00 O ATOM 627 CB ARG A 41 11.733 -9.073 -2.287 1.00 0.00 C ATOM 628 CG ARG A 41 12.933 -8.441 -2.960 1.00 0.00 C ATOM 629 CD ARG A 41 14.199 -8.775 -2.212 1.00 0.00 C ATOM 630 NE ARG A 41 15.378 -8.183 -2.839 1.00 0.00 N ATOM 631 CZ ARG A 41 16.528 -7.936 -2.211 1.00 0.00 C ATOM 632 NH1 ARG A 41 16.687 -8.254 -0.932 1.00 0.00 N ATOM 633 NH2 ARG A 41 17.526 -7.371 -2.871 1.00 0.00 N ATOM 0 H ARG A 41 9.973 -10.031 -0.869 1.00 0.00 H new ATOM 0 HA ARG A 41 12.387 -8.692 -0.277 1.00 0.00 H new ATOM 0 HB2 ARG A 41 11.873 -10.154 -2.260 1.00 0.00 H new ATOM 0 HB3 ARG A 41 10.848 -8.881 -2.893 1.00 0.00 H new ATOM 0 HG2 ARG A 41 13.008 -8.795 -3.988 1.00 0.00 H new ATOM 0 HG3 ARG A 41 12.805 -7.359 -3.003 1.00 0.00 H new ATOM 0 HD2 ARG A 41 14.118 -8.419 -1.185 1.00 0.00 H new ATOM 0 HD3 ARG A 41 14.318 -9.858 -2.166 1.00 0.00 H new ATOM 0 HE ARG A 41 15.317 -7.941 -3.828 1.00 0.00 H new ATOM 0 HH11 ARG A 41 15.924 -8.693 -0.417 1.00 0.00 H new ATOM 0 HH12 ARG A 41 17.572 -8.059 -0.464 1.00 0.00 H new ATOM 0 HH21 ARG A 41 17.413 -7.127 -3.855 1.00 0.00 H new ATOM 0 HH22 ARG A 41 18.408 -7.180 -2.396 1.00 0.00 H new ATOM 647 N LEU A 42 9.834 -6.801 -1.101 1.00 0.00 N ATOM 648 CA LEU A 42 9.329 -5.432 -1.106 1.00 0.00 C ATOM 649 C LEU A 42 9.629 -4.734 0.219 1.00 0.00 C ATOM 650 O LEU A 42 10.076 -3.583 0.242 1.00 0.00 O ATOM 651 CB LEU A 42 7.819 -5.432 -1.366 1.00 0.00 C ATOM 652 CG LEU A 42 7.158 -4.054 -1.448 1.00 0.00 C ATOM 653 CD1 LEU A 42 7.721 -3.258 -2.615 1.00 0.00 C ATOM 654 CD2 LEU A 42 5.652 -4.202 -1.582 1.00 0.00 C ATOM 0 H LEU A 42 9.122 -7.508 -1.285 1.00 0.00 H new ATOM 0 HA LEU A 42 9.833 -4.885 -1.903 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.630 -5.961 -2.300 1.00 0.00 H new ATOM 0 HB3 LEU A 42 7.333 -6.001 -0.574 1.00 0.00 H new ATOM 0 HG LEU A 42 7.375 -3.510 -0.529 1.00 0.00 H new ATOM 0 HD11 LEU A 42 7.238 -2.282 -2.656 1.00 0.00 H new ATOM 0 HD12 LEU A 42 8.795 -3.127 -2.481 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.534 -3.795 -3.545 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.193 -3.215 -1.639 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.421 -4.763 -2.487 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.260 -4.734 -0.715 1.00 0.00 H new ATOM 666 N SER A 43 9.402 -5.442 1.318 1.00 0.00 N ATOM 667 CA SER A 43 9.615 -4.884 2.643 1.00 0.00 C ATOM 668 C SER A 43 11.105 -4.709 2.938 1.00 0.00 C ATOM 669 O SER A 43 11.499 -3.790 3.651 1.00 0.00 O ATOM 670 CB SER A 43 8.968 -5.785 3.698 1.00 0.00 C ATOM 671 OG SER A 43 7.601 -6.006 3.398 1.00 0.00 O ATOM 0 H SER A 43 9.070 -6.406 1.315 1.00 0.00 H new ATOM 0 HA SER A 43 9.150 -3.899 2.677 1.00 0.00 H new ATOM 0 HB2 SER A 43 9.495 -6.738 3.741 1.00 0.00 H new ATOM 0 HB3 SER A 43 9.060 -5.325 4.682 1.00 0.00 H new ATOM 0 HG SER A 43 7.524 -6.712 2.723 1.00 0.00 H new ATOM 677 N LYS A 44 11.927 -5.578 2.363 1.00 0.00 N ATOM 678 CA LYS A 44 13.358 -5.579 2.645 1.00 0.00 C ATOM 679 C LYS A 44 14.108 -4.535 1.824 1.00 0.00 C ATOM 680 O LYS A 44 15.149 -4.039 2.249 1.00 0.00 O ATOM 681 CB LYS A 44 13.951 -6.966 2.389 1.00 0.00 C ATOM 682 CG LYS A 44 13.485 -8.017 3.381 1.00 0.00 C ATOM 683 CD LYS A 44 13.895 -7.654 4.798 1.00 0.00 C ATOM 684 CE LYS A 44 13.414 -8.686 5.802 1.00 0.00 C ATOM 685 NZ LYS A 44 13.784 -8.314 7.193 1.00 0.00 N ATOM 0 H LYS A 44 11.628 -6.291 1.698 1.00 0.00 H new ATOM 0 HA LYS A 44 13.477 -5.320 3.697 1.00 0.00 H new ATOM 0 HB2 LYS A 44 13.685 -7.286 1.381 1.00 0.00 H new ATOM 0 HB3 LYS A 44 15.038 -6.900 2.426 1.00 0.00 H new ATOM 0 HG2 LYS A 44 12.401 -8.116 3.327 1.00 0.00 H new ATOM 0 HG3 LYS A 44 13.907 -8.986 3.114 1.00 0.00 H new ATOM 0 HD2 LYS A 44 14.980 -7.571 4.853 1.00 0.00 H new ATOM 0 HD3 LYS A 44 13.487 -6.677 5.056 1.00 0.00 H new ATOM 0 HE2 LYS A 44 12.331 -8.788 5.728 1.00 0.00 H new ATOM 0 HE3 LYS A 44 13.843 -9.658 5.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 13.439 -9.042 7.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 14.819 -8.241 7.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 13.354 -7.398 7.434 1.00 0.00 H new ATOM 699 N VAL A 45 13.596 -4.207 0.647 1.00 0.00 N ATOM 700 CA VAL A 45 14.267 -3.235 -0.208 1.00 0.00 C ATOM 701 C VAL A 45 13.703 -1.833 -0.012 1.00 0.00 C ATOM 702 O VAL A 45 14.440 -0.890 0.281 1.00 0.00 O ATOM 703 CB VAL A 45 14.144 -3.612 -1.701 1.00 0.00 C ATOM 704 CG1 VAL A 45 14.817 -2.571 -2.584 1.00 0.00 C ATOM 705 CG2 VAL A 45 14.736 -4.984 -1.961 1.00 0.00 C ATOM 0 H VAL A 45 12.732 -4.592 0.265 1.00 0.00 H new ATOM 0 HA VAL A 45 15.318 -3.246 0.082 1.00 0.00 H new ATOM 0 HB VAL A 45 13.083 -3.639 -1.951 1.00 0.00 H new ATOM 0 HG11 VAL A 45 14.716 -2.861 -3.630 1.00 0.00 H new ATOM 0 HG12 VAL A 45 14.344 -1.601 -2.429 1.00 0.00 H new ATOM 0 HG13 VAL A 45 15.874 -2.504 -2.327 1.00 0.00 H new ATOM 0 HG21 VAL A 45 14.638 -5.228 -3.019 1.00 0.00 H new ATOM 0 HG22 VAL A 45 15.790 -4.984 -1.685 1.00 0.00 H new ATOM 0 HG23 VAL A 45 14.206 -5.728 -1.366 1.00 0.00 H new ATOM 715 N VAL A 46 12.392 -1.706 -0.159 1.00 0.00 N ATOM 716 CA VAL A 46 11.750 -0.402 -0.147 1.00 0.00 C ATOM 717 C VAL A 46 11.469 0.080 1.272 1.00 0.00 C ATOM 718 O VAL A 46 11.964 1.124 1.692 1.00 0.00 O ATOM 719 CB VAL A 46 10.433 -0.424 -0.949 1.00 0.00 C ATOM 720 CG1 VAL A 46 9.808 0.960 -0.989 1.00 0.00 C ATOM 721 CG2 VAL A 46 10.673 -0.948 -2.358 1.00 0.00 C ATOM 0 H VAL A 46 11.753 -2.491 -0.288 1.00 0.00 H new ATOM 0 HA VAL A 46 12.446 0.293 -0.617 1.00 0.00 H new ATOM 0 HB VAL A 46 9.737 -1.098 -0.449 1.00 0.00 H new ATOM 0 HG11 VAL A 46 8.880 0.924 -1.559 1.00 0.00 H new ATOM 0 HG12 VAL A 46 9.597 1.293 0.027 1.00 0.00 H new ATOM 0 HG13 VAL A 46 10.498 1.657 -1.463 1.00 0.00 H new ATOM 0 HG21 VAL A 46 9.732 -0.956 -2.908 1.00 0.00 H new ATOM 0 HG22 VAL A 46 11.387 -0.303 -2.869 1.00 0.00 H new ATOM 0 HG23 VAL A 46 11.072 -1.961 -2.306 1.00 0.00 H new ATOM 731 N PHE A 47 10.697 -0.704 2.015 1.00 0.00 N ATOM 732 CA PHE A 47 10.165 -0.261 3.298 1.00 0.00 C ATOM 733 C PHE A 47 11.198 -0.336 4.417 1.00 0.00 C ATOM 734 O PHE A 47 10.976 0.190 5.505 1.00 0.00 O ATOM 735 CB PHE A 47 8.933 -1.085 3.667 1.00 0.00 C ATOM 736 CG PHE A 47 7.803 -0.947 2.684 1.00 0.00 C ATOM 737 CD1 PHE A 47 7.443 0.297 2.188 1.00 0.00 C ATOM 738 CD2 PHE A 47 7.093 -2.060 2.268 1.00 0.00 C ATOM 739 CE1 PHE A 47 6.398 0.426 1.295 1.00 0.00 C ATOM 740 CE2 PHE A 47 6.047 -1.936 1.374 1.00 0.00 C ATOM 741 CZ PHE A 47 5.699 -0.692 0.888 1.00 0.00 C ATOM 0 H PHE A 47 10.425 -1.651 1.751 1.00 0.00 H new ATOM 0 HA PHE A 47 9.888 0.787 3.186 1.00 0.00 H new ATOM 0 HB2 PHE A 47 9.216 -2.135 3.738 1.00 0.00 H new ATOM 0 HB3 PHE A 47 8.585 -0.781 4.654 1.00 0.00 H new ATOM 0 HD1 PHE A 47 7.986 1.175 2.504 1.00 0.00 H new ATOM 0 HD2 PHE A 47 7.360 -3.036 2.646 1.00 0.00 H new ATOM 0 HE1 PHE A 47 6.128 1.400 0.916 1.00 0.00 H new ATOM 0 HE2 PHE A 47 5.502 -2.812 1.056 1.00 0.00 H new ATOM 0 HZ PHE A 47 4.881 -0.594 0.190 1.00 0.00 H new ATOM 751 N LYS A 48 12.321 -0.985 4.156 1.00 0.00 N ATOM 752 CA LYS A 48 13.370 -1.112 5.160 1.00 0.00 C ATOM 753 C LYS A 48 14.166 0.185 5.273 1.00 0.00 C ATOM 754 O LYS A 48 14.780 0.467 6.304 1.00 0.00 O ATOM 755 CB LYS A 48 14.309 -2.267 4.806 1.00 0.00 C ATOM 756 CG LYS A 48 15.362 -2.546 5.868 1.00 0.00 C ATOM 757 CD LYS A 48 16.319 -3.647 5.446 1.00 0.00 C ATOM 758 CE LYS A 48 17.463 -3.788 6.437 1.00 0.00 C ATOM 759 NZ LYS A 48 18.241 -2.528 6.563 1.00 0.00 N ATOM 0 H LYS A 48 12.531 -1.431 3.263 1.00 0.00 H new ATOM 0 HA LYS A 48 12.898 -1.319 6.121 1.00 0.00 H new ATOM 0 HB2 LYS A 48 13.718 -3.169 4.647 1.00 0.00 H new ATOM 0 HB3 LYS A 48 14.807 -2.043 3.863 1.00 0.00 H new ATOM 0 HG2 LYS A 48 15.925 -1.634 6.069 1.00 0.00 H new ATOM 0 HG3 LYS A 48 14.871 -2.830 6.799 1.00 0.00 H new ATOM 0 HD2 LYS A 48 15.781 -4.592 5.371 1.00 0.00 H new ATOM 0 HD3 LYS A 48 16.717 -3.427 4.455 1.00 0.00 H new ATOM 0 HE2 LYS A 48 17.067 -4.070 7.412 1.00 0.00 H new ATOM 0 HE3 LYS A 48 18.124 -4.593 6.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 19.191 -2.742 6.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 18.322 -2.075 5.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 17.755 -1.884 7.219 1.00 0.00 H new ATOM 773 N ASP A 49 14.149 0.970 4.208 1.00 0.00 N ATOM 774 CA ASP A 49 14.903 2.214 4.173 1.00 0.00 C ATOM 775 C ASP A 49 14.248 3.275 5.047 1.00 0.00 C ATOM 776 O ASP A 49 13.055 3.552 4.917 1.00 0.00 O ATOM 777 CB ASP A 49 15.032 2.727 2.745 1.00 0.00 C ATOM 778 CG ASP A 49 15.890 3.973 2.661 1.00 0.00 C ATOM 779 OD1 ASP A 49 15.344 5.088 2.772 1.00 0.00 O ATOM 780 OD2 ASP A 49 17.119 3.839 2.474 1.00 0.00 O ATOM 0 H ASP A 49 13.623 0.769 3.358 1.00 0.00 H new ATOM 0 HA ASP A 49 15.899 2.008 4.565 1.00 0.00 H new ATOM 0 HB2 ASP A 49 15.464 1.947 2.118 1.00 0.00 H new ATOM 0 HB3 ASP A 49 14.040 2.943 2.347 1.00 0.00 H new ATOM 785 N SER A 50 15.047 3.872 5.923 1.00 0.00 N ATOM 786 CA SER A 50 14.563 4.859 6.879 1.00 0.00 C ATOM 787 C SER A 50 13.885 6.043 6.182 1.00 0.00 C ATOM 788 O SER A 50 12.834 6.514 6.624 1.00 0.00 O ATOM 789 CB SER A 50 15.730 5.355 7.736 1.00 0.00 C ATOM 790 OG SER A 50 16.465 4.265 8.275 1.00 0.00 O ATOM 0 H SER A 50 16.048 3.686 5.990 1.00 0.00 H new ATOM 0 HA SER A 50 13.816 4.379 7.511 1.00 0.00 H new ATOM 0 HB2 SER A 50 16.389 5.980 7.133 1.00 0.00 H new ATOM 0 HB3 SER A 50 15.352 5.979 8.546 1.00 0.00 H new ATOM 0 HG SER A 50 17.206 4.607 8.817 1.00 0.00 H new ATOM 796 N LEU A 51 14.484 6.520 5.096 1.00 0.00 N ATOM 797 CA LEU A 51 13.958 7.671 4.375 1.00 0.00 C ATOM 798 C LEU A 51 12.678 7.308 3.629 1.00 0.00 C ATOM 799 O LEU A 51 11.715 8.073 3.624 1.00 0.00 O ATOM 800 CB LEU A 51 14.995 8.228 3.391 1.00 0.00 C ATOM 801 CG LEU A 51 16.160 9.010 4.014 1.00 0.00 C ATOM 802 CD1 LEU A 51 17.100 8.092 4.783 1.00 0.00 C ATOM 803 CD2 LEU A 51 16.918 9.767 2.934 1.00 0.00 C ATOM 0 H LEU A 51 15.335 6.126 4.696 1.00 0.00 H new ATOM 0 HA LEU A 51 13.729 8.442 5.111 1.00 0.00 H new ATOM 0 HB2 LEU A 51 15.406 7.397 2.818 1.00 0.00 H new ATOM 0 HB3 LEU A 51 14.482 8.880 2.684 1.00 0.00 H new ATOM 0 HG LEU A 51 15.745 9.725 4.724 1.00 0.00 H new ATOM 0 HD11 LEU A 51 17.913 8.679 5.211 1.00 0.00 H new ATOM 0 HD12 LEU A 51 16.550 7.596 5.583 1.00 0.00 H new ATOM 0 HD13 LEU A 51 17.511 7.342 4.107 1.00 0.00 H new ATOM 0 HD21 LEU A 51 17.742 10.318 3.386 1.00 0.00 H new ATOM 0 HD22 LEU A 51 17.312 9.061 2.203 1.00 0.00 H new ATOM 0 HD23 LEU A 51 16.244 10.465 2.438 1.00 0.00 H new ATOM 815 N VAL A 52 12.677 6.140 3.002 1.00 0.00 N ATOM 816 CA VAL A 52 11.530 5.689 2.221 1.00 0.00 C ATOM 817 C VAL A 52 10.340 5.349 3.122 1.00 0.00 C ATOM 818 O VAL A 52 9.209 5.751 2.843 1.00 0.00 O ATOM 819 CB VAL A 52 11.887 4.468 1.346 1.00 0.00 C ATOM 820 CG1 VAL A 52 10.674 4.005 0.556 1.00 0.00 C ATOM 821 CG2 VAL A 52 13.037 4.801 0.405 1.00 0.00 C ATOM 0 H VAL A 52 13.459 5.485 3.018 1.00 0.00 H new ATOM 0 HA VAL A 52 11.248 6.515 1.567 1.00 0.00 H new ATOM 0 HB VAL A 52 12.202 3.657 2.003 1.00 0.00 H new ATOM 0 HG11 VAL A 52 10.945 3.144 -0.055 1.00 0.00 H new ATOM 0 HG12 VAL A 52 9.877 3.725 1.244 1.00 0.00 H new ATOM 0 HG13 VAL A 52 10.330 4.813 -0.089 1.00 0.00 H new ATOM 0 HG21 VAL A 52 13.274 3.928 -0.203 1.00 0.00 H new ATOM 0 HG22 VAL A 52 12.748 5.628 -0.244 1.00 0.00 H new ATOM 0 HG23 VAL A 52 13.913 5.086 0.988 1.00 0.00 H new ATOM 831 N ALA A 53 10.599 4.623 4.206 1.00 0.00 N ATOM 832 CA ALA A 53 9.554 4.275 5.167 1.00 0.00 C ATOM 833 C ALA A 53 8.911 5.533 5.738 1.00 0.00 C ATOM 834 O ALA A 53 7.687 5.638 5.819 1.00 0.00 O ATOM 835 CB ALA A 53 10.128 3.421 6.286 1.00 0.00 C ATOM 0 H ALA A 53 11.524 4.264 4.442 1.00 0.00 H new ATOM 0 HA ALA A 53 8.787 3.701 4.648 1.00 0.00 H new ATOM 0 HB1 ALA A 53 9.338 3.170 6.994 1.00 0.00 H new ATOM 0 HB2 ALA A 53 10.545 2.505 5.867 1.00 0.00 H new ATOM 0 HB3 ALA A 53 10.913 3.975 6.800 1.00 0.00 H new ATOM 841 N ASP A 54 9.748 6.487 6.123 1.00 0.00 N ATOM 842 CA ASP A 54 9.276 7.766 6.642 1.00 0.00 C ATOM 843 C ASP A 54 8.474 8.509 5.577 1.00 0.00 C ATOM 844 O ASP A 54 7.434 9.105 5.864 1.00 0.00 O ATOM 845 CB ASP A 54 10.464 8.617 7.095 1.00 0.00 C ATOM 846 CG ASP A 54 10.052 9.976 7.625 1.00 0.00 C ATOM 847 OD1 ASP A 54 9.786 10.091 8.839 1.00 0.00 O ATOM 848 OD2 ASP A 54 10.021 10.941 6.837 1.00 0.00 O ATOM 0 H ASP A 54 10.764 6.399 6.086 1.00 0.00 H new ATOM 0 HA ASP A 54 8.627 7.578 7.497 1.00 0.00 H new ATOM 0 HB2 ASP A 54 11.012 8.082 7.870 1.00 0.00 H new ATOM 0 HB3 ASP A 54 11.148 8.752 6.257 1.00 0.00 H new ATOM 853 N TYR A 55 8.962 8.442 4.345 1.00 0.00 N ATOM 854 CA TYR A 55 8.319 9.101 3.218 1.00 0.00 C ATOM 855 C TYR A 55 6.896 8.582 3.031 1.00 0.00 C ATOM 856 O TYR A 55 5.955 9.363 2.903 1.00 0.00 O ATOM 857 CB TYR A 55 9.134 8.873 1.942 1.00 0.00 C ATOM 858 CG TYR A 55 8.715 9.750 0.785 1.00 0.00 C ATOM 859 CD1 TYR A 55 9.181 11.053 0.683 1.00 0.00 C ATOM 860 CD2 TYR A 55 7.861 9.279 -0.205 1.00 0.00 C ATOM 861 CE1 TYR A 55 8.808 11.865 -0.368 1.00 0.00 C ATOM 862 CE2 TYR A 55 7.483 10.085 -1.263 1.00 0.00 C ATOM 863 CZ TYR A 55 7.960 11.377 -1.339 1.00 0.00 C ATOM 864 OH TYR A 55 7.588 12.186 -2.387 1.00 0.00 O ATOM 0 H TYR A 55 9.811 7.932 4.101 1.00 0.00 H new ATOM 0 HA TYR A 55 8.272 10.170 3.424 1.00 0.00 H new ATOM 0 HB2 TYR A 55 10.187 9.052 2.158 1.00 0.00 H new ATOM 0 HB3 TYR A 55 9.042 7.828 1.645 1.00 0.00 H new ATOM 0 HD1 TYR A 55 9.848 11.438 1.440 1.00 0.00 H new ATOM 0 HD2 TYR A 55 7.487 8.268 -0.147 1.00 0.00 H new ATOM 0 HE1 TYR A 55 9.178 12.878 -0.430 1.00 0.00 H new ATOM 0 HE2 TYR A 55 6.818 9.705 -2.025 1.00 0.00 H new ATOM 0 HH TYR A 55 6.989 11.692 -2.985 1.00 0.00 H new ATOM 874 N PHE A 56 6.740 7.263 3.024 1.00 0.00 N ATOM 875 CA PHE A 56 5.424 6.654 2.874 1.00 0.00 C ATOM 876 C PHE A 56 4.536 6.955 4.077 1.00 0.00 C ATOM 877 O PHE A 56 3.362 7.279 3.918 1.00 0.00 O ATOM 878 CB PHE A 56 5.541 5.139 2.682 1.00 0.00 C ATOM 879 CG PHE A 56 5.765 4.725 1.256 1.00 0.00 C ATOM 880 CD1 PHE A 56 4.688 4.529 0.409 1.00 0.00 C ATOM 881 CD2 PHE A 56 7.044 4.532 0.767 1.00 0.00 C ATOM 882 CE1 PHE A 56 4.882 4.147 -0.903 1.00 0.00 C ATOM 883 CE2 PHE A 56 7.246 4.150 -0.545 1.00 0.00 C ATOM 884 CZ PHE A 56 6.163 3.957 -1.382 1.00 0.00 C ATOM 0 H PHE A 56 7.506 6.597 3.120 1.00 0.00 H new ATOM 0 HA PHE A 56 4.964 7.088 1.986 1.00 0.00 H new ATOM 0 HB2 PHE A 56 6.364 4.767 3.292 1.00 0.00 H new ATOM 0 HB3 PHE A 56 4.632 4.664 3.050 1.00 0.00 H new ATOM 0 HD1 PHE A 56 3.684 4.677 0.779 1.00 0.00 H new ATOM 0 HD2 PHE A 56 7.893 4.681 1.417 1.00 0.00 H new ATOM 0 HE1 PHE A 56 4.033 3.997 -1.554 1.00 0.00 H new ATOM 0 HE2 PHE A 56 8.249 4.002 -0.917 1.00 0.00 H new ATOM 0 HZ PHE A 56 6.318 3.658 -2.408 1.00 0.00 H new ATOM 894 N ASN A 57 5.112 6.857 5.271 1.00 0.00 N ATOM 895 CA ASN A 57 4.372 7.073 6.515 1.00 0.00 C ATOM 896 C ASN A 57 3.810 8.490 6.602 1.00 0.00 C ATOM 897 O ASN A 57 2.695 8.698 7.081 1.00 0.00 O ATOM 898 CB ASN A 57 5.279 6.809 7.722 1.00 0.00 C ATOM 899 CG ASN A 57 4.585 7.059 9.051 1.00 0.00 C ATOM 900 OD1 ASN A 57 4.579 8.180 9.562 1.00 0.00 O ATOM 901 ND2 ASN A 57 4.008 6.014 9.624 1.00 0.00 N ATOM 0 H ASN A 57 6.097 6.628 5.406 1.00 0.00 H new ATOM 0 HA ASN A 57 3.535 6.375 6.521 1.00 0.00 H new ATOM 0 HB2 ASN A 57 5.628 5.777 7.689 1.00 0.00 H new ATOM 0 HB3 ASN A 57 6.161 7.446 7.653 1.00 0.00 H new ATOM 0 HD21 ASN A 57 3.536 6.121 10.522 1.00 0.00 H new ATOM 0 HD22 ASN A 57 4.036 5.102 9.168 1.00 0.00 H new ATOM 908 N ARG A 58 4.589 9.466 6.162 1.00 0.00 N ATOM 909 CA ARG A 58 4.177 10.856 6.266 1.00 0.00 C ATOM 910 C ARG A 58 3.383 11.333 5.058 1.00 0.00 C ATOM 911 O ARG A 58 2.615 12.287 5.153 1.00 0.00 O ATOM 912 CB ARG A 58 5.380 11.764 6.525 1.00 0.00 C ATOM 913 CG ARG A 58 5.898 11.694 7.953 1.00 0.00 C ATOM 914 CD ARG A 58 4.859 12.165 8.962 1.00 0.00 C ATOM 915 NE ARG A 58 3.674 11.301 8.992 1.00 0.00 N ATOM 916 CZ ARG A 58 2.419 11.749 8.883 1.00 0.00 C ATOM 917 NH1 ARG A 58 2.154 13.049 8.954 1.00 0.00 N ATOM 918 NH2 ARG A 58 1.423 10.887 8.726 1.00 0.00 N ATOM 0 H ARG A 58 5.503 9.323 5.733 1.00 0.00 H new ATOM 0 HA ARG A 58 3.503 10.916 7.121 1.00 0.00 H new ATOM 0 HB2 ARG A 58 6.184 11.492 5.842 1.00 0.00 H new ATOM 0 HB3 ARG A 58 5.103 12.794 6.298 1.00 0.00 H new ATOM 0 HG2 ARG A 58 6.188 10.669 8.183 1.00 0.00 H new ATOM 0 HG3 ARG A 58 6.795 12.307 8.044 1.00 0.00 H new ATOM 0 HD2 ARG A 58 5.308 12.195 9.955 1.00 0.00 H new ATOM 0 HD3 ARG A 58 4.556 13.183 8.719 1.00 0.00 H new ATOM 0 HE ARG A 58 3.816 10.297 9.103 1.00 0.00 H new ATOM 0 HH11 ARG A 58 2.912 13.717 9.093 1.00 0.00 H new ATOM 0 HH12 ARG A 58 1.193 13.379 8.869 1.00 0.00 H new ATOM 0 HH21 ARG A 58 1.616 9.886 8.689 1.00 0.00 H new ATOM 0 HH22 ARG A 58 0.464 11.225 8.643 1.00 0.00 H new ATOM 932 N HIS A 59 3.557 10.689 3.920 1.00 0.00 N ATOM 933 CA HIS A 59 2.859 11.128 2.721 1.00 0.00 C ATOM 934 C HIS A 59 1.482 10.489 2.591 1.00 0.00 C ATOM 935 O HIS A 59 0.614 11.036 1.921 1.00 0.00 O ATOM 936 CB HIS A 59 3.700 10.880 1.469 1.00 0.00 C ATOM 937 CG HIS A 59 4.709 11.961 1.231 1.00 0.00 C ATOM 938 ND1 HIS A 59 4.674 12.793 0.134 1.00 0.00 N ATOM 939 CD2 HIS A 59 5.770 12.365 1.971 1.00 0.00 C ATOM 940 CE1 HIS A 59 5.665 13.660 0.210 1.00 0.00 C ATOM 941 NE2 HIS A 59 6.345 13.424 1.315 1.00 0.00 N ATOM 0 H HIS A 59 4.162 9.877 3.797 1.00 0.00 H new ATOM 0 HA HIS A 59 2.706 12.203 2.819 1.00 0.00 H new ATOM 0 HB2 HIS A 59 4.213 9.923 1.564 1.00 0.00 H new ATOM 0 HB3 HIS A 59 3.042 10.804 0.603 1.00 0.00 H new ATOM 0 HD2 HIS A 59 6.101 11.933 2.904 1.00 0.00 H new ATOM 0 HE1 HIS A 59 5.883 14.433 -0.512 1.00 0.00 H new ATOM 0 HE2 HIS A 59 7.164 13.944 1.630 1.00 0.00 H new ATOM 950 N PHE A 60 1.277 9.342 3.227 1.00 0.00 N ATOM 951 CA PHE A 60 -0.034 8.687 3.215 1.00 0.00 C ATOM 952 C PHE A 60 -0.212 7.881 4.502 1.00 0.00 C ATOM 953 O PHE A 60 0.753 7.646 5.225 1.00 0.00 O ATOM 954 CB PHE A 60 -0.171 7.714 2.026 1.00 0.00 C ATOM 955 CG PHE A 60 0.643 8.062 0.805 1.00 0.00 C ATOM 956 CD1 PHE A 60 1.941 7.589 0.671 1.00 0.00 C ATOM 957 CD2 PHE A 60 0.115 8.849 -0.208 1.00 0.00 C ATOM 958 CE1 PHE A 60 2.693 7.895 -0.445 1.00 0.00 C ATOM 959 CE2 PHE A 60 0.866 9.159 -1.326 1.00 0.00 C ATOM 960 CZ PHE A 60 2.156 8.682 -1.444 1.00 0.00 C ATOM 0 H PHE A 60 1.994 8.845 3.756 1.00 0.00 H new ATOM 0 HA PHE A 60 -0.790 9.467 3.128 1.00 0.00 H new ATOM 0 HB2 PHE A 60 0.116 6.717 2.360 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -1.221 7.664 1.739 1.00 0.00 H new ATOM 0 HD1 PHE A 60 2.368 6.974 1.450 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -0.894 9.224 -0.122 1.00 0.00 H new ATOM 0 HE1 PHE A 60 3.701 7.519 -0.537 1.00 0.00 H new ATOM 0 HE2 PHE A 60 0.444 9.774 -2.107 1.00 0.00 H new ATOM 0 HZ PHE A 60 2.744 8.924 -2.317 1.00 0.00 H new ATOM 970 N VAL A 61 -1.431 7.437 4.780 1.00 0.00 N ATOM 971 CA VAL A 61 -1.658 6.507 5.881 1.00 0.00 C ATOM 972 C VAL A 61 -1.431 5.086 5.391 1.00 0.00 C ATOM 973 O VAL A 61 -2.090 4.632 4.460 1.00 0.00 O ATOM 974 CB VAL A 61 -3.081 6.621 6.473 1.00 0.00 C ATOM 975 CG1 VAL A 61 -3.322 5.541 7.524 1.00 0.00 C ATOM 976 CG2 VAL A 61 -3.299 7.997 7.076 1.00 0.00 C ATOM 0 H VAL A 61 -2.271 7.702 4.265 1.00 0.00 H new ATOM 0 HA VAL A 61 -0.955 6.762 6.674 1.00 0.00 H new ATOM 0 HB VAL A 61 -3.795 6.477 5.662 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.330 5.643 7.926 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -3.211 4.558 7.067 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -2.597 5.650 8.331 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.306 8.058 7.488 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -2.572 8.166 7.870 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -3.176 8.756 6.304 1.00 0.00 H new ATOM 986 N ASN A 62 -0.491 4.392 6.008 1.00 0.00 N ATOM 987 CA ASN A 62 -0.127 3.051 5.569 1.00 0.00 C ATOM 988 C ASN A 62 -1.056 2.009 6.182 1.00 0.00 C ATOM 989 O ASN A 62 -1.144 1.887 7.401 1.00 0.00 O ATOM 990 CB ASN A 62 1.330 2.737 5.932 1.00 0.00 C ATOM 991 CG ASN A 62 2.345 3.523 5.114 1.00 0.00 C ATOM 992 OD1 ASN A 62 3.427 3.027 4.814 1.00 0.00 O ATOM 993 ND2 ASN A 62 2.014 4.757 4.762 1.00 0.00 N ATOM 0 H ASN A 62 0.035 4.732 6.813 1.00 0.00 H new ATOM 0 HA ASN A 62 -0.232 3.014 4.485 1.00 0.00 H new ATOM 0 HB2 ASN A 62 1.486 2.949 6.990 1.00 0.00 H new ATOM 0 HB3 ASN A 62 1.509 1.671 5.791 1.00 0.00 H new ATOM 0 HD21 ASN A 62 2.667 5.327 4.224 1.00 0.00 H new ATOM 0 HD22 ASN A 62 1.106 5.137 5.029 1.00 0.00 H new ATOM 1000 N LEU A 63 -1.753 1.274 5.329 1.00 0.00 N ATOM 1001 CA LEU A 63 -2.668 0.223 5.762 1.00 0.00 C ATOM 1002 C LEU A 63 -2.161 -1.137 5.300 1.00 0.00 C ATOM 1003 O LEU A 63 -1.687 -1.272 4.174 1.00 0.00 O ATOM 1004 CB LEU A 63 -4.071 0.475 5.194 1.00 0.00 C ATOM 1005 CG LEU A 63 -5.084 -0.657 5.406 1.00 0.00 C ATOM 1006 CD1 LEU A 63 -5.406 -0.832 6.883 1.00 0.00 C ATOM 1007 CD2 LEU A 63 -6.351 -0.393 4.608 1.00 0.00 C ATOM 0 H LEU A 63 -1.702 1.387 4.317 1.00 0.00 H new ATOM 0 HA LEU A 63 -2.719 0.232 6.851 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -4.469 1.384 5.646 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -3.982 0.663 4.124 1.00 0.00 H new ATOM 0 HG LEU A 63 -4.637 -1.584 5.048 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -6.126 -1.641 7.005 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.494 -1.073 7.428 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -5.829 0.093 7.275 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -7.059 -1.206 4.770 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -6.797 0.547 4.934 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -6.107 -0.330 3.548 1.00 0.00 H new ATOM 1019 N LYS A 64 -2.251 -2.134 6.169 1.00 0.00 N ATOM 1020 CA LYS A 64 -1.851 -3.488 5.807 1.00 0.00 C ATOM 1021 C LYS A 64 -3.082 -4.360 5.599 1.00 0.00 C ATOM 1022 O LYS A 64 -3.958 -4.422 6.462 1.00 0.00 O ATOM 1023 CB LYS A 64 -0.963 -4.103 6.888 1.00 0.00 C ATOM 1024 CG LYS A 64 -0.370 -5.447 6.491 1.00 0.00 C ATOM 1025 CD LYS A 64 0.248 -6.171 7.678 1.00 0.00 C ATOM 1026 CE LYS A 64 1.325 -5.339 8.356 1.00 0.00 C ATOM 1027 NZ LYS A 64 1.919 -6.054 9.516 1.00 0.00 N ATOM 0 H LYS A 64 -2.595 -2.033 7.124 1.00 0.00 H new ATOM 0 HA LYS A 64 -1.282 -3.436 4.879 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -0.153 -3.411 7.119 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -1.547 -4.227 7.800 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -1.148 -6.071 6.051 1.00 0.00 H new ATOM 0 HG3 LYS A 64 0.389 -5.296 5.723 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -0.531 -6.413 8.401 1.00 0.00 H new ATOM 0 HD3 LYS A 64 0.677 -7.115 7.343 1.00 0.00 H new ATOM 0 HE2 LYS A 64 2.107 -5.099 7.636 1.00 0.00 H new ATOM 0 HE3 LYS A 64 0.899 -4.393 8.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 2.338 -5.364 10.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 1.178 -6.593 10.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 2.657 -6.706 9.181 1.00 0.00 H new ATOM 1041 N MET A 65 -3.144 -5.028 4.460 1.00 0.00 N ATOM 1042 CA MET A 65 -4.279 -5.873 4.127 1.00 0.00 C ATOM 1043 C MET A 65 -3.815 -7.179 3.493 1.00 0.00 C ATOM 1044 O MET A 65 -2.923 -7.186 2.643 1.00 0.00 O ATOM 1045 CB MET A 65 -5.222 -5.139 3.169 1.00 0.00 C ATOM 1046 CG MET A 65 -6.447 -5.949 2.771 1.00 0.00 C ATOM 1047 SD MET A 65 -7.504 -6.342 4.177 1.00 0.00 S ATOM 1048 CE MET A 65 -8.044 -4.705 4.666 1.00 0.00 C ATOM 0 H MET A 65 -2.417 -5.001 3.746 1.00 0.00 H new ATOM 0 HA MET A 65 -4.812 -6.104 5.049 1.00 0.00 H new ATOM 0 HB2 MET A 65 -5.549 -4.210 3.636 1.00 0.00 H new ATOM 0 HB3 MET A 65 -4.670 -4.866 2.269 1.00 0.00 H new ATOM 0 HG2 MET A 65 -7.023 -5.391 2.033 1.00 0.00 H new ATOM 0 HG3 MET A 65 -6.126 -6.874 2.292 1.00 0.00 H new ATOM 0 HE1 MET A 65 -8.940 -4.786 5.281 1.00 0.00 H new ATOM 0 HE2 MET A 65 -7.255 -4.217 5.238 1.00 0.00 H new ATOM 0 HE3 MET A 65 -8.266 -4.114 3.777 1.00 0.00 H new ATOM 1058 N ASP A 66 -4.420 -8.280 3.909 1.00 0.00 N ATOM 1059 CA ASP A 66 -4.114 -9.578 3.329 1.00 0.00 C ATOM 1060 C ASP A 66 -4.985 -9.800 2.110 1.00 0.00 C ATOM 1061 O ASP A 66 -6.050 -9.202 1.976 1.00 0.00 O ATOM 1062 CB ASP A 66 -4.366 -10.709 4.323 1.00 0.00 C ATOM 1063 CG ASP A 66 -3.752 -12.029 3.896 1.00 0.00 C ATOM 1064 OD1 ASP A 66 -2.514 -12.163 3.929 1.00 0.00 O ATOM 1065 OD2 ASP A 66 -4.516 -12.950 3.534 1.00 0.00 O ATOM 0 H ASP A 66 -5.125 -8.301 4.646 1.00 0.00 H new ATOM 0 HA ASP A 66 -3.059 -9.584 3.057 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.963 -10.426 5.295 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -5.441 -10.840 4.450 1.00 0.00 H new ATOM 1070 N MET A 67 -4.525 -10.648 1.224 1.00 0.00 N ATOM 1071 CA MET A 67 -5.272 -11.002 0.030 1.00 0.00 C ATOM 1072 C MET A 67 -6.375 -12.007 0.332 1.00 0.00 C ATOM 1073 O MET A 67 -7.270 -12.226 -0.487 1.00 0.00 O ATOM 1074 CB MET A 67 -4.311 -11.600 -0.976 1.00 0.00 C ATOM 1075 CG MET A 67 -3.559 -10.568 -1.797 1.00 0.00 C ATOM 1076 SD MET A 67 -4.654 -9.592 -2.841 1.00 0.00 S ATOM 1077 CE MET A 67 -3.463 -8.568 -3.700 1.00 0.00 C ATOM 0 H MET A 67 -3.622 -11.116 1.305 1.00 0.00 H new ATOM 0 HA MET A 67 -5.743 -10.102 -0.365 1.00 0.00 H new ATOM 0 HB2 MET A 67 -3.591 -12.225 -0.448 1.00 0.00 H new ATOM 0 HB3 MET A 67 -4.866 -12.252 -1.650 1.00 0.00 H new ATOM 0 HG2 MET A 67 -3.012 -9.904 -1.128 1.00 0.00 H new ATOM 0 HG3 MET A 67 -2.820 -11.072 -2.421 1.00 0.00 H new ATOM 0 HE1 MET A 67 -3.960 -7.680 -4.089 1.00 0.00 H new ATOM 0 HE2 MET A 67 -2.675 -8.269 -3.009 1.00 0.00 H new ATOM 0 HE3 MET A 67 -3.028 -9.131 -4.526 1.00 0.00 H new ATOM 1087 N GLU A 68 -6.298 -12.635 1.493 1.00 0.00 N ATOM 1088 CA GLU A 68 -7.256 -13.659 1.870 1.00 0.00 C ATOM 1089 C GLU A 68 -8.004 -13.252 3.132 1.00 0.00 C ATOM 1090 O GLU A 68 -9.233 -13.177 3.137 1.00 0.00 O ATOM 1091 CB GLU A 68 -6.535 -14.995 2.081 1.00 0.00 C ATOM 1092 CG GLU A 68 -7.449 -16.136 2.495 1.00 0.00 C ATOM 1093 CD GLU A 68 -6.690 -17.427 2.716 1.00 0.00 C ATOM 1094 OE1 GLU A 68 -6.039 -17.565 3.774 1.00 0.00 O ATOM 1095 OE2 GLU A 68 -6.737 -18.307 1.832 1.00 0.00 O ATOM 0 H GLU A 68 -5.579 -12.452 2.193 1.00 0.00 H new ATOM 0 HA GLU A 68 -7.983 -13.774 1.066 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -6.025 -15.270 1.158 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -5.767 -14.864 2.843 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -7.974 -15.864 3.411 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -8.207 -16.289 1.726 1.00 0.00 H new ATOM 1102 N LYS A 69 -7.259 -12.968 4.191 1.00 0.00 N ATOM 1103 CA LYS A 69 -7.854 -12.666 5.480 1.00 0.00 C ATOM 1104 C LYS A 69 -8.143 -11.169 5.605 1.00 0.00 C ATOM 1105 O LYS A 69 -7.614 -10.363 4.842 1.00 0.00 O ATOM 1106 CB LYS A 69 -6.918 -13.121 6.603 1.00 0.00 C ATOM 1107 CG LYS A 69 -7.605 -13.264 7.946 1.00 0.00 C ATOM 1108 CD LYS A 69 -8.665 -14.351 7.906 1.00 0.00 C ATOM 1109 CE LYS A 69 -9.410 -14.465 9.225 1.00 0.00 C ATOM 1110 NZ LYS A 69 -10.419 -15.556 9.189 1.00 0.00 N ATOM 0 H LYS A 69 -6.239 -12.941 4.180 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.799 -13.203 5.563 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -6.473 -14.077 6.328 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -6.102 -12.405 6.697 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -6.867 -13.500 8.712 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -8.063 -12.315 8.226 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -9.374 -14.137 7.106 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -8.196 -15.306 7.670 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -8.700 -14.652 10.030 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -9.903 -13.519 9.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -10.909 -15.606 10.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -11.111 -15.364 8.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -9.944 -16.462 9.000 1.00 0.00 H new ATOM 1124 N GLY A 70 -8.996 -10.811 6.559 1.00 0.00 N ATOM 1125 CA GLY A 70 -9.315 -9.416 6.790 1.00 0.00 C ATOM 1126 C GLY A 70 -10.208 -8.845 5.713 1.00 0.00 C ATOM 1127 O GLY A 70 -10.154 -7.648 5.432 1.00 0.00 O ATOM 0 H GLY A 70 -9.473 -11.466 7.178 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -9.806 -9.313 7.758 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -8.392 -8.838 6.838 1.00 0.00 H new ATOM 1131 N GLU A 71 -11.028 -9.709 5.113 1.00 0.00 N ATOM 1132 CA GLU A 71 -11.917 -9.318 4.020 1.00 0.00 C ATOM 1133 C GLU A 71 -11.112 -8.979 2.767 1.00 0.00 C ATOM 1134 O GLU A 71 -11.611 -8.319 1.856 1.00 0.00 O ATOM 1135 CB GLU A 71 -12.814 -8.135 4.424 1.00 0.00 C ATOM 1136 CG GLU A 71 -14.050 -8.526 5.228 1.00 0.00 C ATOM 1137 CD GLU A 71 -13.735 -9.297 6.496 1.00 0.00 C ATOM 1138 OE1 GLU A 71 -13.519 -8.665 7.551 1.00 0.00 O ATOM 1139 OE2 GLU A 71 -13.732 -10.545 6.448 1.00 0.00 O ATOM 0 H GLU A 71 -11.094 -10.694 5.370 1.00 0.00 H new ATOM 0 HA GLU A 71 -12.564 -10.166 3.797 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -12.223 -7.430 5.009 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -13.133 -7.612 3.522 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -14.602 -7.624 5.490 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -14.705 -9.130 4.600 1.00 0.00 H new ATOM 1146 N GLY A 72 -9.874 -9.472 2.723 1.00 0.00 N ATOM 1147 CA GLY A 72 -8.998 -9.252 1.581 1.00 0.00 C ATOM 1148 C GLY A 72 -9.615 -9.699 0.270 1.00 0.00 C ATOM 1149 O GLY A 72 -9.363 -9.104 -0.778 1.00 0.00 O ATOM 0 H GLY A 72 -9.458 -10.028 3.470 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -8.751 -8.192 1.518 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -8.062 -9.789 1.738 1.00 0.00 H new ATOM 1153 N VAL A 73 -10.434 -10.746 0.333 1.00 0.00 N ATOM 1154 CA VAL A 73 -11.105 -11.278 -0.850 1.00 0.00 C ATOM 1155 C VAL A 73 -11.992 -10.214 -1.514 1.00 0.00 C ATOM 1156 O VAL A 73 -12.167 -10.214 -2.733 1.00 0.00 O ATOM 1157 CB VAL A 73 -11.945 -12.533 -0.499 1.00 0.00 C ATOM 1158 CG1 VAL A 73 -13.032 -12.202 0.515 1.00 0.00 C ATOM 1159 CG2 VAL A 73 -12.547 -13.151 -1.755 1.00 0.00 C ATOM 0 H VAL A 73 -10.650 -11.245 1.196 1.00 0.00 H new ATOM 0 HA VAL A 73 -10.330 -11.569 -1.560 1.00 0.00 H new ATOM 0 HB VAL A 73 -11.277 -13.265 -0.045 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -13.604 -13.102 0.741 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -12.574 -11.824 1.429 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -13.697 -11.444 0.101 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -13.132 -14.030 -1.484 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -13.193 -12.423 -2.245 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -11.748 -13.443 -2.436 1.00 0.00 H new ATOM 1169 N GLU A 74 -12.516 -9.289 -0.710 1.00 0.00 N ATOM 1170 CA GLU A 74 -13.373 -8.223 -1.220 1.00 0.00 C ATOM 1171 C GLU A 74 -12.552 -7.265 -2.079 1.00 0.00 C ATOM 1172 O GLU A 74 -12.981 -6.855 -3.157 1.00 0.00 O ATOM 1173 CB GLU A 74 -14.028 -7.468 -0.057 1.00 0.00 C ATOM 1174 CG GLU A 74 -15.534 -7.276 -0.202 1.00 0.00 C ATOM 1175 CD GLU A 74 -15.915 -6.402 -1.381 1.00 0.00 C ATOM 1176 OE1 GLU A 74 -15.823 -5.162 -1.266 1.00 0.00 O ATOM 1177 OE2 GLU A 74 -16.326 -6.949 -2.423 1.00 0.00 O ATOM 0 H GLU A 74 -12.361 -9.258 0.298 1.00 0.00 H new ATOM 0 HA GLU A 74 -14.159 -8.662 -1.834 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -13.830 -8.008 0.869 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -13.556 -6.490 0.037 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -16.009 -8.251 -0.313 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -15.927 -6.832 0.713 1.00 0.00 H new ATOM 1184 N LEU A 75 -11.355 -6.934 -1.605 1.00 0.00 N ATOM 1185 CA LEU A 75 -10.456 -6.052 -2.338 1.00 0.00 C ATOM 1186 C LEU A 75 -9.882 -6.774 -3.551 1.00 0.00 C ATOM 1187 O LEU A 75 -9.771 -6.196 -4.634 1.00 0.00 O ATOM 1188 CB LEU A 75 -9.320 -5.547 -1.440 1.00 0.00 C ATOM 1189 CG LEU A 75 -9.734 -4.566 -0.332 1.00 0.00 C ATOM 1190 CD1 LEU A 75 -10.445 -5.280 0.809 1.00 0.00 C ATOM 1191 CD2 LEU A 75 -8.523 -3.806 0.187 1.00 0.00 C ATOM 0 H LEU A 75 -10.985 -7.265 -0.714 1.00 0.00 H new ATOM 0 HA LEU A 75 -11.032 -5.190 -2.674 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -8.838 -6.408 -0.977 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -8.573 -5.063 -2.068 1.00 0.00 H new ATOM 0 HG LEU A 75 -10.436 -3.853 -0.766 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -10.723 -4.556 1.574 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -11.342 -5.769 0.429 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -9.780 -6.027 1.241 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -8.835 -3.116 0.971 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -7.797 -4.511 0.592 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -8.068 -3.246 -0.630 1.00 0.00 H new ATOM 1203 N ARG A 76 -9.541 -8.047 -3.364 1.00 0.00 N ATOM 1204 CA ARG A 76 -9.015 -8.878 -4.446 1.00 0.00 C ATOM 1205 C ARG A 76 -9.987 -8.901 -5.624 1.00 0.00 C ATOM 1206 O ARG A 76 -9.592 -8.747 -6.783 1.00 0.00 O ATOM 1207 CB ARG A 76 -8.784 -10.309 -3.958 1.00 0.00 C ATOM 1208 CG ARG A 76 -8.133 -11.204 -5.001 1.00 0.00 C ATOM 1209 CD ARG A 76 -8.307 -12.683 -4.678 1.00 0.00 C ATOM 1210 NE ARG A 76 -7.639 -13.080 -3.437 1.00 0.00 N ATOM 1211 CZ ARG A 76 -7.154 -14.307 -3.217 1.00 0.00 C ATOM 1212 NH1 ARG A 76 -7.231 -15.233 -4.167 1.00 0.00 N ATOM 1213 NH2 ARG A 76 -6.593 -14.608 -2.053 1.00 0.00 N ATOM 0 H ARG A 76 -9.620 -8.528 -2.468 1.00 0.00 H new ATOM 0 HA ARG A 76 -8.067 -8.449 -4.769 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -8.156 -10.285 -3.068 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -9.739 -10.743 -3.662 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -8.566 -10.994 -5.979 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -7.070 -10.970 -5.066 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -9.370 -12.910 -4.600 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -7.914 -13.278 -5.502 1.00 0.00 H new ATOM 0 HE ARG A 76 -7.538 -12.382 -2.700 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -7.660 -15.008 -5.065 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -6.861 -16.168 -3.999 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -6.530 -13.902 -1.320 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -6.225 -15.546 -1.891 1.00 0.00 H new ATOM 1227 N LYS A 77 -11.262 -9.090 -5.308 1.00 0.00 N ATOM 1228 CA LYS A 77 -12.316 -9.158 -6.310 1.00 0.00 C ATOM 1229 C LYS A 77 -12.560 -7.780 -6.917 1.00 0.00 C ATOM 1230 O LYS A 77 -12.846 -7.647 -8.109 1.00 0.00 O ATOM 1231 CB LYS A 77 -13.601 -9.661 -5.650 1.00 0.00 C ATOM 1232 CG LYS A 77 -14.700 -10.046 -6.623 1.00 0.00 C ATOM 1233 CD LYS A 77 -16.013 -10.271 -5.893 1.00 0.00 C ATOM 1234 CE LYS A 77 -16.989 -11.075 -6.729 1.00 0.00 C ATOM 1235 NZ LYS A 77 -16.539 -12.481 -6.891 1.00 0.00 N ATOM 0 H LYS A 77 -11.594 -9.200 -4.350 1.00 0.00 H new ATOM 0 HA LYS A 77 -12.013 -9.841 -7.103 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -13.362 -10.526 -5.031 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -13.979 -8.886 -4.983 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -14.823 -9.260 -7.369 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -14.417 -10.952 -7.159 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -15.823 -10.792 -4.954 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -16.458 -9.309 -5.639 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -17.972 -11.059 -6.258 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -17.097 -10.611 -7.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -17.352 -13.079 -7.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -15.826 -12.532 -7.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -16.123 -12.817 -5.999 1.00 0.00 H new ATOM 1249 N LYS A 78 -12.408 -6.764 -6.079 1.00 0.00 N ATOM 1250 CA LYS A 78 -12.751 -5.393 -6.432 1.00 0.00 C ATOM 1251 C LYS A 78 -11.830 -4.837 -7.512 1.00 0.00 C ATOM 1252 O LYS A 78 -12.279 -4.162 -8.435 1.00 0.00 O ATOM 1253 CB LYS A 78 -12.670 -4.513 -5.181 1.00 0.00 C ATOM 1254 CG LYS A 78 -13.248 -3.119 -5.355 1.00 0.00 C ATOM 1255 CD LYS A 78 -13.205 -2.336 -4.050 1.00 0.00 C ATOM 1256 CE LYS A 78 -13.863 -3.101 -2.905 1.00 0.00 C ATOM 1257 NZ LYS A 78 -15.324 -3.302 -3.113 1.00 0.00 N ATOM 0 H LYS A 78 -12.042 -6.867 -5.132 1.00 0.00 H new ATOM 0 HA LYS A 78 -13.766 -5.391 -6.831 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -13.195 -5.012 -4.366 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -11.626 -4.425 -4.881 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -12.688 -2.584 -6.122 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -14.278 -3.191 -5.705 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -12.169 -2.117 -3.792 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -13.709 -1.379 -4.184 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -13.379 -4.071 -2.796 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -13.704 -2.559 -1.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -15.714 -3.855 -2.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -15.799 -2.378 -3.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -15.481 -3.813 -4.005 1.00 0.00 H new ATOM 1271 N TYR A 79 -10.546 -5.121 -7.393 1.00 0.00 N ATOM 1272 CA TYR A 79 -9.557 -4.534 -8.284 1.00 0.00 C ATOM 1273 C TYR A 79 -9.065 -5.548 -9.310 1.00 0.00 C ATOM 1274 O TYR A 79 -8.121 -5.280 -10.054 1.00 0.00 O ATOM 1275 CB TYR A 79 -8.403 -3.971 -7.457 1.00 0.00 C ATOM 1276 CG TYR A 79 -8.882 -3.011 -6.388 1.00 0.00 C ATOM 1277 CD1 TYR A 79 -9.455 -1.794 -6.732 1.00 0.00 C ATOM 1278 CD2 TYR A 79 -8.787 -3.332 -5.041 1.00 0.00 C ATOM 1279 CE1 TYR A 79 -9.911 -0.923 -5.764 1.00 0.00 C ATOM 1280 CE2 TYR A 79 -9.240 -2.463 -4.067 1.00 0.00 C ATOM 1281 CZ TYR A 79 -9.803 -1.262 -4.435 1.00 0.00 C ATOM 1282 OH TYR A 79 -10.261 -0.397 -3.470 1.00 0.00 O ATOM 0 H TYR A 79 -10.162 -5.753 -6.690 1.00 0.00 H new ATOM 0 HA TYR A 79 -10.020 -3.721 -8.843 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -7.859 -4.792 -6.989 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -7.702 -3.459 -8.116 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -9.545 -1.525 -7.774 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -8.352 -4.276 -4.749 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -10.351 0.021 -6.048 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -9.153 -2.725 -3.023 1.00 0.00 H new ATOM 0 HH TYR A 79 -10.111 -0.787 -2.583 1.00 0.00 H new ATOM 1292 N GLY A 80 -9.720 -6.707 -9.343 1.00 0.00 N ATOM 1293 CA GLY A 80 -9.415 -7.725 -10.337 1.00 0.00 C ATOM 1294 C GLY A 80 -7.980 -8.205 -10.269 1.00 0.00 C ATOM 1295 O GLY A 80 -7.369 -8.520 -11.293 1.00 0.00 O ATOM 0 H GLY A 80 -10.463 -6.961 -8.693 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -10.084 -8.574 -10.197 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -9.612 -7.325 -11.332 1.00 0.00 H new ATOM 1299 N VAL A 81 -7.444 -8.271 -9.064 1.00 0.00 N ATOM 1300 CA VAL A 81 -6.053 -8.636 -8.879 1.00 0.00 C ATOM 1301 C VAL A 81 -5.912 -10.131 -8.597 1.00 0.00 C ATOM 1302 O VAL A 81 -6.623 -10.691 -7.764 1.00 0.00 O ATOM 1303 CB VAL A 81 -5.394 -7.805 -7.750 1.00 0.00 C ATOM 1304 CG1 VAL A 81 -6.142 -7.967 -6.434 1.00 0.00 C ATOM 1305 CG2 VAL A 81 -3.932 -8.185 -7.590 1.00 0.00 C ATOM 0 H VAL A 81 -7.951 -8.077 -8.200 1.00 0.00 H new ATOM 0 HA VAL A 81 -5.530 -8.411 -9.809 1.00 0.00 H new ATOM 0 HB VAL A 81 -5.448 -6.754 -8.034 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -5.654 -7.371 -5.663 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -7.171 -7.630 -6.557 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -6.137 -9.016 -6.139 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -3.487 -7.590 -6.792 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -3.856 -9.243 -7.339 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -3.402 -7.995 -8.523 1.00 0.00 H new ATOM 1315 N HIS A 82 -5.023 -10.778 -9.338 1.00 0.00 N ATOM 1316 CA HIS A 82 -4.736 -12.192 -9.129 1.00 0.00 C ATOM 1317 C HIS A 82 -3.313 -12.361 -8.619 1.00 0.00 C ATOM 1318 O HIS A 82 -2.876 -13.471 -8.310 1.00 0.00 O ATOM 1319 CB HIS A 82 -4.907 -12.980 -10.432 1.00 0.00 C ATOM 1320 CG HIS A 82 -6.227 -12.766 -11.107 1.00 0.00 C ATOM 1321 ND1 HIS A 82 -6.345 -12.162 -12.339 1.00 0.00 N ATOM 1322 CD2 HIS A 82 -7.487 -13.080 -10.722 1.00 0.00 C ATOM 1323 CE1 HIS A 82 -7.619 -12.109 -12.682 1.00 0.00 C ATOM 1324 NE2 HIS A 82 -8.333 -12.660 -11.719 1.00 0.00 N ATOM 0 H HIS A 82 -4.487 -10.346 -10.091 1.00 0.00 H new ATOM 0 HA HIS A 82 -5.439 -12.578 -8.391 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -4.109 -12.701 -11.120 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -4.787 -14.042 -10.220 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -7.773 -13.569 -9.803 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -8.010 -11.686 -13.596 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -9.348 -12.758 -11.716 1.00 0.00 H new ATOM 1333 N ALA A 83 -2.601 -11.244 -8.528 1.00 0.00 N ATOM 1334 CA ALA A 83 -1.199 -11.252 -8.144 1.00 0.00 C ATOM 1335 C ALA A 83 -1.038 -11.346 -6.632 1.00 0.00 C ATOM 1336 O ALA A 83 -2.012 -11.261 -5.883 1.00 0.00 O ATOM 1337 CB ALA A 83 -0.500 -10.009 -8.672 1.00 0.00 C ATOM 0 H ALA A 83 -2.978 -10.315 -8.717 1.00 0.00 H new ATOM 0 HA ALA A 83 -0.736 -12.134 -8.586 1.00 0.00 H new ATOM 0 HB1 ALA A 83 0.549 -10.028 -8.377 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -0.571 -9.986 -9.759 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -0.977 -9.120 -8.259 1.00 0.00 H new ATOM 1343 N TYR A 84 0.202 -11.504 -6.192 1.00 0.00 N ATOM 1344 CA TYR A 84 0.503 -11.666 -4.773 1.00 0.00 C ATOM 1345 C TYR A 84 0.809 -10.325 -4.099 1.00 0.00 C ATOM 1346 O TYR A 84 0.264 -10.039 -3.029 1.00 0.00 O ATOM 1347 CB TYR A 84 1.670 -12.636 -4.579 1.00 0.00 C ATOM 1348 CG TYR A 84 1.425 -13.995 -5.204 1.00 0.00 C ATOM 1349 CD1 TYR A 84 0.738 -14.988 -4.517 1.00 0.00 C ATOM 1350 CD2 TYR A 84 1.868 -14.276 -6.491 1.00 0.00 C ATOM 1351 CE1 TYR A 84 0.498 -16.222 -5.095 1.00 0.00 C ATOM 1352 CE2 TYR A 84 1.634 -15.506 -7.075 1.00 0.00 C ATOM 1353 CZ TYR A 84 0.949 -16.475 -6.372 1.00 0.00 C ATOM 1354 OH TYR A 84 0.707 -17.701 -6.955 1.00 0.00 O ATOM 0 H TYR A 84 1.021 -11.524 -6.799 1.00 0.00 H new ATOM 0 HA TYR A 84 -0.386 -12.080 -4.297 1.00 0.00 H new ATOM 0 HB2 TYR A 84 2.571 -12.201 -5.011 1.00 0.00 H new ATOM 0 HB3 TYR A 84 1.856 -12.762 -3.512 1.00 0.00 H new ATOM 0 HD1 TYR A 84 0.385 -14.793 -3.515 1.00 0.00 H new ATOM 0 HD2 TYR A 84 2.405 -13.520 -7.044 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -0.040 -16.982 -4.548 1.00 0.00 H new ATOM 0 HE2 TYR A 84 1.985 -15.708 -8.076 1.00 0.00 H new ATOM 0 HH TYR A 84 1.090 -17.716 -7.857 1.00 0.00 H new ATOM 1364 N PRO A 85 1.714 -9.499 -4.671 1.00 0.00 N ATOM 1365 CA PRO A 85 1.951 -8.154 -4.179 1.00 0.00 C ATOM 1366 C PRO A 85 1.125 -7.113 -4.940 1.00 0.00 C ATOM 1367 O PRO A 85 1.061 -7.141 -6.172 1.00 0.00 O ATOM 1368 CB PRO A 85 3.442 -7.965 -4.446 1.00 0.00 C ATOM 1369 CG PRO A 85 3.737 -8.801 -5.655 1.00 0.00 C ATOM 1370 CD PRO A 85 2.616 -9.808 -5.797 1.00 0.00 C ATOM 0 HA PRO A 85 1.668 -8.027 -3.134 1.00 0.00 H new ATOM 0 HB2 PRO A 85 3.680 -6.916 -4.625 1.00 0.00 H new ATOM 0 HB3 PRO A 85 4.038 -8.285 -3.592 1.00 0.00 H new ATOM 0 HG2 PRO A 85 3.806 -8.176 -6.545 1.00 0.00 H new ATOM 0 HG3 PRO A 85 4.696 -9.308 -5.546 1.00 0.00 H new ATOM 0 HD2 PRO A 85 2.107 -9.706 -6.756 1.00 0.00 H new ATOM 0 HD3 PRO A 85 2.989 -10.831 -5.741 1.00 0.00 H new ATOM 1378 N THR A 86 0.474 -6.210 -4.219 1.00 0.00 N ATOM 1379 CA THR A 86 -0.333 -5.176 -4.856 1.00 0.00 C ATOM 1380 C THR A 86 -0.391 -3.907 -4.010 1.00 0.00 C ATOM 1381 O THR A 86 -0.687 -3.952 -2.816 1.00 0.00 O ATOM 1382 CB THR A 86 -1.763 -5.682 -5.121 1.00 0.00 C ATOM 1383 OG1 THR A 86 -1.704 -6.899 -5.871 1.00 0.00 O ATOM 1384 CG2 THR A 86 -2.578 -4.653 -5.892 1.00 0.00 C ATOM 0 H THR A 86 0.488 -6.171 -3.200 1.00 0.00 H new ATOM 0 HA THR A 86 0.146 -4.937 -5.805 1.00 0.00 H new ATOM 0 HB THR A 86 -2.249 -5.854 -4.161 1.00 0.00 H new ATOM 0 HG1 THR A 86 -1.685 -6.692 -6.829 1.00 0.00 H new ATOM 0 HG21 THR A 86 -3.583 -5.039 -6.064 1.00 0.00 H new ATOM 0 HG22 THR A 86 -2.638 -3.730 -5.315 1.00 0.00 H new ATOM 0 HG23 THR A 86 -2.098 -4.452 -6.850 1.00 0.00 H new ATOM 1392 N LEU A 87 -0.102 -2.779 -4.644 1.00 0.00 N ATOM 1393 CA LEU A 87 -0.154 -1.487 -3.979 1.00 0.00 C ATOM 1394 C LEU A 87 -1.399 -0.726 -4.415 1.00 0.00 C ATOM 1395 O LEU A 87 -1.559 -0.393 -5.593 1.00 0.00 O ATOM 1396 CB LEU A 87 1.102 -0.654 -4.281 1.00 0.00 C ATOM 1397 CG LEU A 87 2.404 -1.134 -3.623 1.00 0.00 C ATOM 1398 CD1 LEU A 87 2.914 -2.416 -4.266 1.00 0.00 C ATOM 1399 CD2 LEU A 87 3.465 -0.047 -3.692 1.00 0.00 C ATOM 0 H LEU A 87 0.173 -2.734 -5.625 1.00 0.00 H new ATOM 0 HA LEU A 87 -0.194 -1.662 -2.904 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.250 -0.635 -5.361 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.917 0.373 -3.966 1.00 0.00 H new ATOM 0 HG LEU A 87 2.188 -1.350 -2.577 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.837 -2.727 -3.776 1.00 0.00 H new ATOM 0 HD12 LEU A 87 2.164 -3.200 -4.159 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.107 -2.240 -5.324 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.382 -0.403 -3.221 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.665 0.201 -4.734 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.110 0.841 -3.170 1.00 0.00 H new ATOM 1411 N LEU A 88 -2.288 -0.471 -3.468 1.00 0.00 N ATOM 1412 CA LEU A 88 -3.525 0.236 -3.757 1.00 0.00 C ATOM 1413 C LEU A 88 -3.469 1.658 -3.222 1.00 0.00 C ATOM 1414 O LEU A 88 -3.055 1.888 -2.084 1.00 0.00 O ATOM 1415 CB LEU A 88 -4.715 -0.500 -3.146 1.00 0.00 C ATOM 1416 CG LEU A 88 -4.936 -1.918 -3.667 1.00 0.00 C ATOM 1417 CD1 LEU A 88 -6.066 -2.585 -2.904 1.00 0.00 C ATOM 1418 CD2 LEU A 88 -5.240 -1.899 -5.158 1.00 0.00 C ATOM 0 H LEU A 88 -2.175 -0.744 -2.492 1.00 0.00 H new ATOM 0 HA LEU A 88 -3.648 0.274 -4.839 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -4.580 -0.544 -2.065 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.617 0.083 -3.331 1.00 0.00 H new ATOM 0 HG LEU A 88 -4.022 -2.492 -3.512 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -6.215 -3.596 -3.284 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -5.813 -2.629 -1.845 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -6.983 -2.010 -3.035 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -5.394 -2.919 -5.511 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -6.141 -1.312 -5.338 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -4.403 -1.452 -5.694 1.00 0.00 H new ATOM 1430 N PHE A 89 -3.882 2.610 -4.044 1.00 0.00 N ATOM 1431 CA PHE A 89 -3.857 4.009 -3.655 1.00 0.00 C ATOM 1432 C PHE A 89 -5.275 4.547 -3.537 1.00 0.00 C ATOM 1433 O PHE A 89 -5.956 4.768 -4.542 1.00 0.00 O ATOM 1434 CB PHE A 89 -3.055 4.818 -4.674 1.00 0.00 C ATOM 1435 CG PHE A 89 -1.713 4.210 -4.975 1.00 0.00 C ATOM 1436 CD1 PHE A 89 -0.696 4.250 -4.038 1.00 0.00 C ATOM 1437 CD2 PHE A 89 -1.478 3.581 -6.187 1.00 0.00 C ATOM 1438 CE1 PHE A 89 0.533 3.679 -4.305 1.00 0.00 C ATOM 1439 CE2 PHE A 89 -0.252 3.007 -6.460 1.00 0.00 C ATOM 1440 CZ PHE A 89 0.756 3.055 -5.517 1.00 0.00 C ATOM 0 H PHE A 89 -4.238 2.438 -4.984 1.00 0.00 H new ATOM 0 HA PHE A 89 -3.375 4.100 -2.682 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -3.627 4.899 -5.598 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -2.913 5.831 -4.297 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -0.865 4.733 -3.087 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -2.263 3.539 -6.927 1.00 0.00 H new ATOM 0 HE1 PHE A 89 1.320 3.720 -3.566 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -0.082 2.521 -7.409 1.00 0.00 H new ATOM 0 HZ PHE A 89 1.716 2.606 -5.727 1.00 0.00 H new ATOM 1450 N ILE A 90 -5.712 4.744 -2.301 1.00 0.00 N ATOM 1451 CA ILE A 90 -7.069 5.182 -2.019 1.00 0.00 C ATOM 1452 C ILE A 90 -7.068 6.636 -1.559 1.00 0.00 C ATOM 1453 O ILE A 90 -6.216 7.040 -0.768 1.00 0.00 O ATOM 1454 CB ILE A 90 -7.708 4.305 -0.914 1.00 0.00 C ATOM 1455 CG1 ILE A 90 -7.648 2.820 -1.290 1.00 0.00 C ATOM 1456 CG2 ILE A 90 -9.147 4.726 -0.647 1.00 0.00 C ATOM 1457 CD1 ILE A 90 -8.469 2.462 -2.510 1.00 0.00 C ATOM 0 H ILE A 90 -5.138 4.605 -1.470 1.00 0.00 H new ATOM 0 HA ILE A 90 -7.651 5.086 -2.935 1.00 0.00 H new ATOM 0 HB ILE A 90 -7.133 4.452 0.000 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.609 2.542 -1.469 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -7.995 2.227 -0.444 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -9.572 4.094 0.133 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -9.167 5.766 -0.323 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -9.733 4.619 -1.560 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -8.375 1.395 -2.711 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -9.516 2.706 -2.329 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -8.108 3.027 -3.370 1.00 0.00 H new ATOM 1469 N ASN A 91 -8.006 7.425 -2.063 1.00 0.00 N ATOM 1470 CA ASN A 91 -8.156 8.799 -1.600 1.00 0.00 C ATOM 1471 C ASN A 91 -9.136 8.855 -0.433 1.00 0.00 C ATOM 1472 O ASN A 91 -9.725 7.840 -0.061 1.00 0.00 O ATOM 1473 CB ASN A 91 -8.612 9.735 -2.734 1.00 0.00 C ATOM 1474 CG ASN A 91 -9.908 9.309 -3.406 1.00 0.00 C ATOM 1475 OD1 ASN A 91 -10.753 8.641 -2.810 1.00 0.00 O ATOM 1476 ND2 ASN A 91 -10.085 9.723 -4.651 1.00 0.00 N ATOM 0 H ASN A 91 -8.669 7.142 -2.785 1.00 0.00 H new ATOM 0 HA ASN A 91 -7.180 9.147 -1.263 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -8.737 10.741 -2.333 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -7.825 9.787 -3.486 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -10.944 9.490 -5.149 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -9.362 10.275 -5.113 1.00 0.00 H new ATOM 1483 N SER A 92 -9.317 10.039 0.134 1.00 0.00 N ATOM 1484 CA SER A 92 -10.194 10.221 1.286 1.00 0.00 C ATOM 1485 C SER A 92 -11.647 9.881 0.944 1.00 0.00 C ATOM 1486 O SER A 92 -12.464 9.636 1.833 1.00 0.00 O ATOM 1487 CB SER A 92 -10.097 11.666 1.770 1.00 0.00 C ATOM 1488 OG SER A 92 -8.757 12.123 1.718 1.00 0.00 O ATOM 0 H SER A 92 -8.865 10.895 -0.187 1.00 0.00 H new ATOM 0 HA SER A 92 -9.871 9.541 2.075 1.00 0.00 H new ATOM 0 HB2 SER A 92 -10.728 12.305 1.152 1.00 0.00 H new ATOM 0 HB3 SER A 92 -10.472 11.739 2.791 1.00 0.00 H new ATOM 0 HG SER A 92 -8.715 13.051 2.030 1.00 0.00 H new ATOM 1494 N SER A 93 -11.959 9.856 -0.347 1.00 0.00 N ATOM 1495 CA SER A 93 -13.308 9.554 -0.806 1.00 0.00 C ATOM 1496 C SER A 93 -13.571 8.047 -0.741 1.00 0.00 C ATOM 1497 O SER A 93 -14.717 7.600 -0.787 1.00 0.00 O ATOM 1498 CB SER A 93 -13.497 10.076 -2.238 1.00 0.00 C ATOM 1499 OG SER A 93 -14.835 9.923 -2.682 1.00 0.00 O ATOM 0 H SER A 93 -11.292 10.042 -1.096 1.00 0.00 H new ATOM 0 HA SER A 93 -14.025 10.051 -0.153 1.00 0.00 H new ATOM 0 HB2 SER A 93 -13.218 11.129 -2.281 1.00 0.00 H new ATOM 0 HB3 SER A 93 -12.827 9.541 -2.911 1.00 0.00 H new ATOM 0 HG SER A 93 -14.839 9.681 -3.632 1.00 0.00 H new ATOM 1505 N GLY A 94 -12.501 7.271 -0.612 1.00 0.00 N ATOM 1506 CA GLY A 94 -12.629 5.828 -0.577 1.00 0.00 C ATOM 1507 C GLY A 94 -12.546 5.226 -1.961 1.00 0.00 C ATOM 1508 O GLY A 94 -12.983 4.098 -2.189 1.00 0.00 O ATOM 0 H GLY A 94 -11.545 7.618 -0.531 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -11.843 5.408 0.050 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -13.581 5.558 -0.119 1.00 0.00 H new ATOM 1512 N GLU A 95 -11.975 5.984 -2.885 1.00 0.00 N ATOM 1513 CA GLU A 95 -11.881 5.561 -4.271 1.00 0.00 C ATOM 1514 C GLU A 95 -10.423 5.490 -4.707 1.00 0.00 C ATOM 1515 O GLU A 95 -9.542 6.046 -4.048 1.00 0.00 O ATOM 1516 CB GLU A 95 -12.661 6.529 -5.161 1.00 0.00 C ATOM 1517 CG GLU A 95 -14.122 6.662 -4.760 1.00 0.00 C ATOM 1518 CD GLU A 95 -14.870 7.688 -5.583 1.00 0.00 C ATOM 1519 OE1 GLU A 95 -15.436 7.318 -6.631 1.00 0.00 O ATOM 1520 OE2 GLU A 95 -14.904 8.871 -5.182 1.00 0.00 O ATOM 0 H GLU A 95 -11.568 6.900 -2.697 1.00 0.00 H new ATOM 0 HA GLU A 95 -12.314 4.566 -4.369 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -12.189 7.511 -5.121 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -12.604 6.189 -6.195 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -14.611 5.694 -4.865 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -14.180 6.937 -3.707 1.00 0.00 H new ATOM 1527 N VAL A 96 -10.172 4.810 -5.816 1.00 0.00 N ATOM 1528 CA VAL A 96 -8.812 4.617 -6.296 1.00 0.00 C ATOM 1529 C VAL A 96 -8.411 5.685 -7.300 1.00 0.00 C ATOM 1530 O VAL A 96 -9.221 6.126 -8.118 1.00 0.00 O ATOM 1531 CB VAL A 96 -8.624 3.232 -6.947 1.00 0.00 C ATOM 1532 CG1 VAL A 96 -8.693 2.138 -5.901 1.00 0.00 C ATOM 1533 CG2 VAL A 96 -9.662 2.997 -8.037 1.00 0.00 C ATOM 0 H VAL A 96 -10.891 4.383 -6.400 1.00 0.00 H new ATOM 0 HA VAL A 96 -8.171 4.690 -5.417 1.00 0.00 H new ATOM 0 HB VAL A 96 -7.637 3.206 -7.409 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -8.558 1.168 -6.380 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -7.906 2.291 -5.162 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -9.664 2.167 -5.408 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -9.508 2.013 -8.480 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -10.661 3.047 -7.605 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -9.561 3.762 -8.807 1.00 0.00 H new ATOM 1543 N VAL A 97 -7.160 6.106 -7.219 1.00 0.00 N ATOM 1544 CA VAL A 97 -6.598 7.017 -8.206 1.00 0.00 C ATOM 1545 C VAL A 97 -5.645 6.270 -9.135 1.00 0.00 C ATOM 1546 O VAL A 97 -5.424 6.674 -10.276 1.00 0.00 O ATOM 1547 CB VAL A 97 -5.856 8.202 -7.543 1.00 0.00 C ATOM 1548 CG1 VAL A 97 -6.829 9.081 -6.772 1.00 0.00 C ATOM 1549 CG2 VAL A 97 -4.742 7.712 -6.626 1.00 0.00 C ATOM 0 H VAL A 97 -6.513 5.832 -6.480 1.00 0.00 H new ATOM 0 HA VAL A 97 -7.430 7.422 -8.783 1.00 0.00 H new ATOM 0 HB VAL A 97 -5.403 8.796 -8.337 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -6.287 9.908 -6.314 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -7.583 9.475 -7.454 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -7.315 8.491 -5.995 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -4.239 8.568 -6.175 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -5.166 7.085 -5.841 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -4.023 7.132 -7.205 1.00 0.00 H new ATOM 1559 N TYR A 98 -5.106 5.158 -8.640 1.00 0.00 N ATOM 1560 CA TYR A 98 -4.139 4.363 -9.388 1.00 0.00 C ATOM 1561 C TYR A 98 -4.052 2.959 -8.788 1.00 0.00 C ATOM 1562 O TYR A 98 -4.240 2.781 -7.582 1.00 0.00 O ATOM 1563 CB TYR A 98 -2.765 5.051 -9.343 1.00 0.00 C ATOM 1564 CG TYR A 98 -1.728 4.479 -10.292 1.00 0.00 C ATOM 1565 CD1 TYR A 98 -1.666 4.899 -11.615 1.00 0.00 C ATOM 1566 CD2 TYR A 98 -0.803 3.536 -9.861 1.00 0.00 C ATOM 1567 CE1 TYR A 98 -0.713 4.393 -12.481 1.00 0.00 C ATOM 1568 CE2 TYR A 98 0.154 3.027 -10.720 1.00 0.00 C ATOM 1569 CZ TYR A 98 0.195 3.458 -12.029 1.00 0.00 C ATOM 1570 OH TYR A 98 1.150 2.957 -12.886 1.00 0.00 O ATOM 0 H TYR A 98 -5.326 4.786 -7.716 1.00 0.00 H new ATOM 0 HA TYR A 98 -4.459 4.280 -10.427 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -2.898 6.109 -9.569 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -2.378 4.989 -8.326 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -2.373 5.632 -11.973 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -0.832 3.194 -8.837 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -0.680 4.729 -13.507 1.00 0.00 H new ATOM 0 HE2 TYR A 98 0.866 2.295 -10.367 1.00 0.00 H new ATOM 0 HH TYR A 98 1.710 2.310 -12.409 1.00 0.00 H new ATOM 1580 N ARG A 99 -3.795 1.966 -9.631 1.00 0.00 N ATOM 1581 CA ARG A 99 -3.616 0.593 -9.169 1.00 0.00 C ATOM 1582 C ARG A 99 -2.265 0.063 -9.622 1.00 0.00 C ATOM 1583 O ARG A 99 -1.945 0.099 -10.810 1.00 0.00 O ATOM 1584 CB ARG A 99 -4.724 -0.321 -9.702 1.00 0.00 C ATOM 1585 CG ARG A 99 -6.105 0.009 -9.173 1.00 0.00 C ATOM 1586 CD ARG A 99 -7.153 -0.894 -9.802 1.00 0.00 C ATOM 1587 NE ARG A 99 -7.161 -0.775 -11.259 1.00 0.00 N ATOM 1588 CZ ARG A 99 -7.203 -1.813 -12.095 1.00 0.00 C ATOM 1589 NH1 ARG A 99 -7.236 -3.055 -11.628 1.00 0.00 N ATOM 1590 NH2 ARG A 99 -7.207 -1.615 -13.405 1.00 0.00 N ATOM 0 H ARG A 99 -3.706 2.085 -10.640 1.00 0.00 H new ATOM 0 HA ARG A 99 -3.664 0.598 -8.080 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -4.739 -0.260 -10.790 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -4.485 -1.353 -9.444 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -6.122 -0.107 -8.089 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -6.341 1.052 -9.386 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -6.958 -1.929 -9.522 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -8.137 -0.638 -9.410 1.00 0.00 H new ATOM 0 HE ARG A 99 -7.133 0.162 -11.662 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -7.229 -3.222 -10.622 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -7.268 -3.843 -12.275 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -7.178 -0.666 -13.777 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -7.239 -2.412 -14.041 1.00 0.00 H new ATOM 1604 N LEU A 100 -1.479 -0.428 -8.679 1.00 0.00 N ATOM 1605 CA LEU A 100 -0.155 -0.944 -8.993 1.00 0.00 C ATOM 1606 C LEU A 100 -0.083 -2.443 -8.731 1.00 0.00 C ATOM 1607 O LEU A 100 -0.107 -2.889 -7.582 1.00 0.00 O ATOM 1608 CB LEU A 100 0.914 -0.210 -8.179 1.00 0.00 C ATOM 1609 CG LEU A 100 2.359 -0.607 -8.492 1.00 0.00 C ATOM 1610 CD1 LEU A 100 2.695 -0.319 -9.948 1.00 0.00 C ATOM 1611 CD2 LEU A 100 3.317 0.128 -7.570 1.00 0.00 C ATOM 0 H LEU A 100 -1.732 -0.481 -7.692 1.00 0.00 H new ATOM 0 HA LEU A 100 0.034 -0.771 -10.052 1.00 0.00 H new ATOM 0 HB2 LEU A 100 0.804 0.861 -8.347 1.00 0.00 H new ATOM 0 HB3 LEU A 100 0.727 -0.387 -7.120 1.00 0.00 H new ATOM 0 HG LEU A 100 2.465 -1.679 -8.325 1.00 0.00 H new ATOM 0 HD11 LEU A 100 3.727 -0.609 -10.148 1.00 0.00 H new ATOM 0 HD12 LEU A 100 2.027 -0.887 -10.595 1.00 0.00 H new ATOM 0 HD13 LEU A 100 2.573 0.746 -10.146 1.00 0.00 H new ATOM 0 HD21 LEU A 100 4.341 -0.163 -7.803 1.00 0.00 H new ATOM 0 HD22 LEU A 100 3.204 1.203 -7.710 1.00 0.00 H new ATOM 0 HD23 LEU A 100 3.094 -0.128 -6.534 1.00 0.00 H new ATOM 1623 N VAL A 101 -0.011 -3.213 -9.805 1.00 0.00 N ATOM 1624 CA VAL A 101 0.069 -4.663 -9.708 1.00 0.00 C ATOM 1625 C VAL A 101 1.522 -5.119 -9.783 1.00 0.00 C ATOM 1626 O VAL A 101 2.182 -4.965 -10.813 1.00 0.00 O ATOM 1627 CB VAL A 101 -0.748 -5.346 -10.827 1.00 0.00 C ATOM 1628 CG1 VAL A 101 -0.691 -6.861 -10.696 1.00 0.00 C ATOM 1629 CG2 VAL A 101 -2.191 -4.861 -10.807 1.00 0.00 C ATOM 0 H VAL A 101 -0.006 -2.856 -10.760 1.00 0.00 H new ATOM 0 HA VAL A 101 -0.353 -4.955 -8.746 1.00 0.00 H new ATOM 0 HB VAL A 101 -0.305 -5.073 -11.785 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -1.274 -7.318 -11.496 1.00 0.00 H new ATOM 0 HG12 VAL A 101 0.345 -7.194 -10.767 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -1.103 -7.159 -9.732 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -2.751 -5.353 -11.602 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -2.642 -5.100 -9.844 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -2.214 -3.782 -10.961 1.00 0.00 H new ATOM 1639 N GLY A 102 2.015 -5.670 -8.685 1.00 0.00 N ATOM 1640 CA GLY A 102 3.399 -6.088 -8.618 1.00 0.00 C ATOM 1641 C GLY A 102 4.208 -5.176 -7.727 1.00 0.00 C ATOM 1642 O GLY A 102 3.655 -4.523 -6.842 1.00 0.00 O ATOM 0 H GLY A 102 1.478 -5.836 -7.834 1.00 0.00 H new ATOM 0 HA2 GLY A 102 3.454 -7.109 -8.242 1.00 0.00 H new ATOM 0 HA3 GLY A 102 3.828 -6.094 -9.620 1.00 0.00 H new ATOM 1646 N ALA A 103 5.512 -5.125 -7.950 1.00 0.00 N ATOM 1647 CA ALA A 103 6.382 -4.285 -7.143 1.00 0.00 C ATOM 1648 C ALA A 103 7.593 -3.813 -7.935 1.00 0.00 C ATOM 1649 O ALA A 103 8.069 -4.502 -8.842 1.00 0.00 O ATOM 1650 CB ALA A 103 6.830 -5.031 -5.895 1.00 0.00 C ATOM 0 H ALA A 103 5.989 -5.653 -8.680 1.00 0.00 H new ATOM 0 HA ALA A 103 5.811 -3.405 -6.847 1.00 0.00 H new ATOM 0 HB1 ALA A 103 7.481 -4.389 -5.301 1.00 0.00 H new ATOM 0 HB2 ALA A 103 5.957 -5.309 -5.304 1.00 0.00 H new ATOM 0 HB3 ALA A 103 7.374 -5.930 -6.184 1.00 0.00 H new ATOM 1656 N GLU A 104 8.072 -2.629 -7.588 1.00 0.00 N ATOM 1657 CA GLU A 104 9.274 -2.068 -8.183 1.00 0.00 C ATOM 1658 C GLU A 104 10.348 -1.940 -7.111 1.00 0.00 C ATOM 1659 O GLU A 104 10.112 -2.280 -5.949 1.00 0.00 O ATOM 1660 CB GLU A 104 8.979 -0.691 -8.788 1.00 0.00 C ATOM 1661 CG GLU A 104 7.995 -0.715 -9.947 1.00 0.00 C ATOM 1662 CD GLU A 104 8.548 -1.405 -11.178 1.00 0.00 C ATOM 1663 OE1 GLU A 104 9.741 -1.207 -11.494 1.00 0.00 O ATOM 1664 OE2 GLU A 104 7.787 -2.124 -11.857 1.00 0.00 O ATOM 0 H GLU A 104 7.638 -2.030 -6.886 1.00 0.00 H new ATOM 0 HA GLU A 104 9.621 -2.728 -8.978 1.00 0.00 H new ATOM 0 HB2 GLU A 104 8.586 -0.040 -8.007 1.00 0.00 H new ATOM 0 HB3 GLU A 104 9.915 -0.249 -9.130 1.00 0.00 H new ATOM 0 HG2 GLU A 104 7.083 -1.222 -9.632 1.00 0.00 H new ATOM 0 HG3 GLU A 104 7.719 0.308 -10.203 1.00 0.00 H new ATOM 1671 N ASP A 105 11.520 -1.455 -7.487 1.00 0.00 N ATOM 1672 CA ASP A 105 12.563 -1.180 -6.507 1.00 0.00 C ATOM 1673 C ASP A 105 12.270 0.160 -5.838 1.00 0.00 C ATOM 1674 O ASP A 105 11.349 0.863 -6.252 1.00 0.00 O ATOM 1675 CB ASP A 105 13.943 -1.164 -7.166 1.00 0.00 C ATOM 1676 CG ASP A 105 15.058 -1.487 -6.187 1.00 0.00 C ATOM 1677 OD1 ASP A 105 15.514 -0.572 -5.469 1.00 0.00 O ATOM 1678 OD2 ASP A 105 15.481 -2.662 -6.131 1.00 0.00 O ATOM 0 H ASP A 105 11.774 -1.245 -8.452 1.00 0.00 H new ATOM 0 HA ASP A 105 12.569 -1.970 -5.756 1.00 0.00 H new ATOM 0 HB2 ASP A 105 13.961 -1.886 -7.983 1.00 0.00 H new ATOM 0 HB3 ASP A 105 14.122 -0.182 -7.604 1.00 0.00 H new ATOM 1683 N ALA A 106 13.062 0.529 -4.839 1.00 0.00 N ATOM 1684 CA ALA A 106 12.772 1.707 -4.018 1.00 0.00 C ATOM 1685 C ALA A 106 12.566 2.990 -4.849 1.00 0.00 C ATOM 1686 O ALA A 106 11.522 3.632 -4.724 1.00 0.00 O ATOM 1687 CB ALA A 106 13.853 1.905 -2.959 1.00 0.00 C ATOM 0 H ALA A 106 13.912 0.031 -4.574 1.00 0.00 H new ATOM 0 HA ALA A 106 11.822 1.514 -3.520 1.00 0.00 H new ATOM 0 HB1 ALA A 106 13.619 2.785 -2.360 1.00 0.00 H new ATOM 0 HB2 ALA A 106 13.895 1.028 -2.314 1.00 0.00 H new ATOM 0 HB3 ALA A 106 14.818 2.044 -3.446 1.00 0.00 H new ATOM 1693 N PRO A 107 13.527 3.389 -5.719 1.00 0.00 N ATOM 1694 CA PRO A 107 13.406 4.637 -6.488 1.00 0.00 C ATOM 1695 C PRO A 107 12.218 4.628 -7.450 1.00 0.00 C ATOM 1696 O PRO A 107 11.476 5.610 -7.549 1.00 0.00 O ATOM 1697 CB PRO A 107 14.723 4.719 -7.273 1.00 0.00 C ATOM 1698 CG PRO A 107 15.650 3.772 -6.591 1.00 0.00 C ATOM 1699 CD PRO A 107 14.783 2.683 -6.037 1.00 0.00 C ATOM 0 HA PRO A 107 13.233 5.489 -5.831 1.00 0.00 H new ATOM 0 HB2 PRO A 107 14.576 4.442 -8.317 1.00 0.00 H new ATOM 0 HB3 PRO A 107 15.122 5.733 -7.266 1.00 0.00 H new ATOM 0 HG2 PRO A 107 16.384 3.371 -7.290 1.00 0.00 H new ATOM 0 HG3 PRO A 107 16.206 4.272 -5.798 1.00 0.00 H new ATOM 0 HD2 PRO A 107 14.625 1.885 -6.762 1.00 0.00 H new ATOM 0 HD3 PRO A 107 15.225 2.226 -5.151 1.00 0.00 H new ATOM 1707 N GLU A 108 12.044 3.519 -8.157 1.00 0.00 N ATOM 1708 CA GLU A 108 10.998 3.405 -9.161 1.00 0.00 C ATOM 1709 C GLU A 108 9.618 3.241 -8.532 1.00 0.00 C ATOM 1710 O GLU A 108 8.614 3.626 -9.129 1.00 0.00 O ATOM 1711 CB GLU A 108 11.303 2.244 -10.105 1.00 0.00 C ATOM 1712 CG GLU A 108 12.515 2.494 -10.987 1.00 0.00 C ATOM 1713 CD GLU A 108 12.868 1.300 -11.847 1.00 0.00 C ATOM 1714 OE1 GLU A 108 13.574 0.396 -11.352 1.00 0.00 O ATOM 1715 OE2 GLU A 108 12.451 1.264 -13.023 1.00 0.00 O ATOM 0 H GLU A 108 12.618 2.682 -8.052 1.00 0.00 H new ATOM 0 HA GLU A 108 10.981 4.334 -9.731 1.00 0.00 H new ATOM 0 HB2 GLU A 108 11.469 1.341 -9.518 1.00 0.00 H new ATOM 0 HB3 GLU A 108 10.434 2.059 -10.736 1.00 0.00 H new ATOM 0 HG2 GLU A 108 12.321 3.354 -11.628 1.00 0.00 H new ATOM 0 HG3 GLU A 108 13.369 2.750 -10.360 1.00 0.00 H new ATOM 1722 N LEU A 109 9.561 2.681 -7.329 1.00 0.00 N ATOM 1723 CA LEU A 109 8.288 2.524 -6.637 1.00 0.00 C ATOM 1724 C LEU A 109 7.705 3.889 -6.313 1.00 0.00 C ATOM 1725 O LEU A 109 6.527 4.149 -6.558 1.00 0.00 O ATOM 1726 CB LEU A 109 8.452 1.715 -5.355 1.00 0.00 C ATOM 1727 CG LEU A 109 7.144 1.173 -4.777 1.00 0.00 C ATOM 1728 CD1 LEU A 109 6.510 0.174 -5.733 1.00 0.00 C ATOM 1729 CD2 LEU A 109 7.376 0.539 -3.417 1.00 0.00 C ATOM 0 H LEU A 109 10.372 2.332 -6.818 1.00 0.00 H new ATOM 0 HA LEU A 109 7.609 1.983 -7.296 1.00 0.00 H new ATOM 0 HB2 LEU A 109 9.122 0.878 -5.551 1.00 0.00 H new ATOM 0 HB3 LEU A 109 8.935 2.341 -4.604 1.00 0.00 H new ATOM 0 HG LEU A 109 6.457 2.009 -4.648 1.00 0.00 H new ATOM 0 HD11 LEU A 109 5.580 -0.200 -5.304 1.00 0.00 H new ATOM 0 HD12 LEU A 109 6.300 0.663 -6.684 1.00 0.00 H new ATOM 0 HD13 LEU A 109 7.195 -0.658 -5.897 1.00 0.00 H new ATOM 0 HD21 LEU A 109 6.431 0.161 -3.026 1.00 0.00 H new ATOM 0 HD22 LEU A 109 8.084 -0.284 -3.515 1.00 0.00 H new ATOM 0 HD23 LEU A 109 7.780 1.285 -2.732 1.00 0.00 H new ATOM 1741 N LEU A 110 8.547 4.762 -5.770 1.00 0.00 N ATOM 1742 CA LEU A 110 8.152 6.143 -5.504 1.00 0.00 C ATOM 1743 C LEU A 110 7.667 6.812 -6.781 1.00 0.00 C ATOM 1744 O LEU A 110 6.713 7.582 -6.761 1.00 0.00 O ATOM 1745 CB LEU A 110 9.314 6.949 -4.909 1.00 0.00 C ATOM 1746 CG LEU A 110 9.436 6.910 -3.381 1.00 0.00 C ATOM 1747 CD1 LEU A 110 9.734 5.506 -2.893 1.00 0.00 C ATOM 1748 CD2 LEU A 110 10.512 7.874 -2.912 1.00 0.00 C ATOM 0 H LEU A 110 9.507 4.539 -5.505 1.00 0.00 H new ATOM 0 HA LEU A 110 7.340 6.120 -4.778 1.00 0.00 H new ATOM 0 HB2 LEU A 110 10.245 6.581 -5.339 1.00 0.00 H new ATOM 0 HB3 LEU A 110 9.208 7.988 -5.220 1.00 0.00 H new ATOM 0 HG LEU A 110 8.480 7.218 -2.957 1.00 0.00 H new ATOM 0 HD11 LEU A 110 9.815 5.508 -1.806 1.00 0.00 H new ATOM 0 HD12 LEU A 110 8.928 4.837 -3.195 1.00 0.00 H new ATOM 0 HD13 LEU A 110 10.673 5.162 -3.326 1.00 0.00 H new ATOM 0 HD21 LEU A 110 10.587 7.835 -1.825 1.00 0.00 H new ATOM 0 HD22 LEU A 110 11.469 7.593 -3.352 1.00 0.00 H new ATOM 0 HD23 LEU A 110 10.253 8.887 -3.222 1.00 0.00 H new ATOM 1760 N LYS A 111 8.325 6.498 -7.891 1.00 0.00 N ATOM 1761 CA LYS A 111 7.948 7.043 -9.188 1.00 0.00 C ATOM 1762 C LYS A 111 6.539 6.585 -9.569 1.00 0.00 C ATOM 1763 O LYS A 111 5.714 7.389 -10.003 1.00 0.00 O ATOM 1764 CB LYS A 111 8.954 6.602 -10.257 1.00 0.00 C ATOM 1765 CG LYS A 111 8.758 7.275 -11.606 1.00 0.00 C ATOM 1766 CD LYS A 111 9.096 8.758 -11.548 1.00 0.00 C ATOM 1767 CE LYS A 111 10.561 8.979 -11.199 1.00 0.00 C ATOM 1768 NZ LYS A 111 10.929 10.418 -11.207 1.00 0.00 N ATOM 0 H LYS A 111 9.125 5.866 -7.918 1.00 0.00 H new ATOM 0 HA LYS A 111 7.955 8.131 -9.125 1.00 0.00 H new ATOM 0 HB2 LYS A 111 9.963 6.812 -9.901 1.00 0.00 H new ATOM 0 HB3 LYS A 111 8.880 5.522 -10.387 1.00 0.00 H new ATOM 0 HG2 LYS A 111 9.386 6.787 -12.351 1.00 0.00 H new ATOM 0 HG3 LYS A 111 7.725 7.149 -11.929 1.00 0.00 H new ATOM 0 HD2 LYS A 111 8.875 9.221 -12.510 1.00 0.00 H new ATOM 0 HD3 LYS A 111 8.465 9.248 -10.806 1.00 0.00 H new ATOM 0 HE2 LYS A 111 10.765 8.559 -10.214 1.00 0.00 H new ATOM 0 HE3 LYS A 111 11.187 8.442 -11.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 11.935 10.520 -10.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 10.759 10.814 -12.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 10.351 10.928 -10.509 1.00 0.00 H new ATOM 1782 N LYS A 112 6.274 5.292 -9.388 1.00 0.00 N ATOM 1783 CA LYS A 112 4.964 4.714 -9.688 1.00 0.00 C ATOM 1784 C LYS A 112 3.867 5.401 -8.881 1.00 0.00 C ATOM 1785 O LYS A 112 2.821 5.765 -9.418 1.00 0.00 O ATOM 1786 CB LYS A 112 4.962 3.213 -9.379 1.00 0.00 C ATOM 1787 CG LYS A 112 5.869 2.394 -10.281 1.00 0.00 C ATOM 1788 CD LYS A 112 5.366 2.372 -11.715 1.00 0.00 C ATOM 1789 CE LYS A 112 6.240 1.490 -12.590 1.00 0.00 C ATOM 1790 NZ LYS A 112 5.741 1.417 -13.988 1.00 0.00 N ATOM 0 H LYS A 112 6.954 4.620 -9.032 1.00 0.00 H new ATOM 0 HA LYS A 112 4.766 4.866 -10.749 1.00 0.00 H new ATOM 0 HB2 LYS A 112 5.268 3.066 -8.343 1.00 0.00 H new ATOM 0 HB3 LYS A 112 3.943 2.836 -9.467 1.00 0.00 H new ATOM 0 HG2 LYS A 112 6.877 2.808 -10.255 1.00 0.00 H new ATOM 0 HG3 LYS A 112 5.933 1.374 -9.902 1.00 0.00 H new ATOM 0 HD2 LYS A 112 4.339 2.007 -11.737 1.00 0.00 H new ATOM 0 HD3 LYS A 112 5.353 3.386 -12.114 1.00 0.00 H new ATOM 0 HE2 LYS A 112 7.259 1.876 -12.589 1.00 0.00 H new ATOM 0 HE3 LYS A 112 6.279 0.486 -12.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 6.368 0.805 -14.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 4.778 1.024 -13.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 5.728 2.371 -14.402 1.00 0.00 H new ATOM 1804 N VAL A 113 4.117 5.578 -7.591 1.00 0.00 N ATOM 1805 CA VAL A 113 3.152 6.213 -6.702 1.00 0.00 C ATOM 1806 C VAL A 113 2.980 7.689 -7.053 1.00 0.00 C ATOM 1807 O VAL A 113 1.863 8.203 -7.118 1.00 0.00 O ATOM 1808 CB VAL A 113 3.589 6.098 -5.227 1.00 0.00 C ATOM 1809 CG1 VAL A 113 2.530 6.674 -4.304 1.00 0.00 C ATOM 1810 CG2 VAL A 113 3.885 4.652 -4.860 1.00 0.00 C ATOM 0 H VAL A 113 4.983 5.290 -7.135 1.00 0.00 H new ATOM 0 HA VAL A 113 2.203 5.693 -6.835 1.00 0.00 H new ATOM 0 HB VAL A 113 4.504 6.676 -5.103 1.00 0.00 H new ATOM 0 HG11 VAL A 113 2.860 6.582 -3.269 1.00 0.00 H new ATOM 0 HG12 VAL A 113 2.373 7.726 -4.542 1.00 0.00 H new ATOM 0 HG13 VAL A 113 1.596 6.128 -4.437 1.00 0.00 H new ATOM 0 HG21 VAL A 113 4.191 4.597 -3.815 1.00 0.00 H new ATOM 0 HG22 VAL A 113 2.990 4.048 -5.008 1.00 0.00 H new ATOM 0 HG23 VAL A 113 4.687 4.273 -5.493 1.00 0.00 H new ATOM 1820 N LYS A 114 4.100 8.350 -7.299 1.00 0.00 N ATOM 1821 CA LYS A 114 4.124 9.782 -7.558 1.00 0.00 C ATOM 1822 C LYS A 114 3.375 10.120 -8.842 1.00 0.00 C ATOM 1823 O LYS A 114 2.564 11.042 -8.871 1.00 0.00 O ATOM 1824 CB LYS A 114 5.575 10.245 -7.655 1.00 0.00 C ATOM 1825 CG LYS A 114 5.804 11.679 -7.248 1.00 0.00 C ATOM 1826 CD LYS A 114 7.289 11.968 -7.207 1.00 0.00 C ATOM 1827 CE LYS A 114 7.599 13.281 -6.526 1.00 0.00 C ATOM 1828 NZ LYS A 114 7.072 14.452 -7.275 1.00 0.00 N ATOM 0 H LYS A 114 5.019 7.909 -7.325 1.00 0.00 H new ATOM 0 HA LYS A 114 3.625 10.299 -6.738 1.00 0.00 H new ATOM 0 HB2 LYS A 114 6.191 9.600 -7.028 1.00 0.00 H new ATOM 0 HB3 LYS A 114 5.917 10.113 -8.682 1.00 0.00 H new ATOM 0 HG2 LYS A 114 5.313 12.350 -7.953 1.00 0.00 H new ATOM 0 HG3 LYS A 114 5.361 11.864 -6.270 1.00 0.00 H new ATOM 0 HD2 LYS A 114 7.800 11.160 -6.683 1.00 0.00 H new ATOM 0 HD3 LYS A 114 7.681 11.987 -8.224 1.00 0.00 H new ATOM 0 HE2 LYS A 114 7.174 13.275 -5.522 1.00 0.00 H new ATOM 0 HE3 LYS A 114 8.679 13.382 -6.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 7.312 15.326 -6.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 7.497 14.477 -8.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 6.038 14.373 -7.360 1.00 0.00 H new ATOM 1842 N LEU A 115 3.639 9.359 -9.898 1.00 0.00 N ATOM 1843 CA LEU A 115 2.975 9.576 -11.179 1.00 0.00 C ATOM 1844 C LEU A 115 1.552 9.039 -11.145 1.00 0.00 C ATOM 1845 O LEU A 115 0.717 9.410 -11.968 1.00 0.00 O ATOM 1846 CB LEU A 115 3.756 8.910 -12.315 1.00 0.00 C ATOM 1847 CG LEU A 115 5.162 9.462 -12.549 1.00 0.00 C ATOM 1848 CD1 LEU A 115 5.833 8.732 -13.704 1.00 0.00 C ATOM 1849 CD2 LEU A 115 5.104 10.957 -12.826 1.00 0.00 C ATOM 0 H LEU A 115 4.307 8.588 -9.893 1.00 0.00 H new ATOM 0 HA LEU A 115 2.941 10.650 -11.361 1.00 0.00 H new ATOM 0 HB2 LEU A 115 3.832 7.843 -12.105 1.00 0.00 H new ATOM 0 HB3 LEU A 115 3.184 9.014 -13.237 1.00 0.00 H new ATOM 0 HG LEU A 115 5.754 9.300 -11.648 1.00 0.00 H new ATOM 0 HD11 LEU A 115 6.833 9.137 -13.858 1.00 0.00 H new ATOM 0 HD12 LEU A 115 5.903 7.669 -13.471 1.00 0.00 H new ATOM 0 HD13 LEU A 115 5.244 8.867 -14.611 1.00 0.00 H new ATOM 0 HD21 LEU A 115 6.113 11.336 -12.991 1.00 0.00 H new ATOM 0 HD22 LEU A 115 4.498 11.139 -13.714 1.00 0.00 H new ATOM 0 HD23 LEU A 115 4.659 11.468 -11.972 1.00 0.00 H new ATOM 1861 N GLY A 116 1.283 8.162 -10.189 1.00 0.00 N ATOM 1862 CA GLY A 116 -0.044 7.605 -10.041 1.00 0.00 C ATOM 1863 C GLY A 116 -1.010 8.585 -9.410 1.00 0.00 C ATOM 1864 O GLY A 116 -2.206 8.561 -9.693 1.00 0.00 O ATOM 0 H GLY A 116 1.965 7.825 -9.510 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -0.421 7.305 -11.019 1.00 0.00 H new ATOM 0 HA3 GLY A 116 0.008 6.704 -9.429 1.00 0.00 H new ATOM 1868 N VAL A 117 -0.489 9.448 -8.548 1.00 0.00 N ATOM 1869 CA VAL A 117 -1.312 10.453 -7.888 1.00 0.00 C ATOM 1870 C VAL A 117 -1.183 11.805 -8.584 1.00 0.00 C ATOM 1871 O VAL A 117 -1.800 12.791 -8.176 1.00 0.00 O ATOM 1872 CB VAL A 117 -0.943 10.606 -6.396 1.00 0.00 C ATOM 1873 CG1 VAL A 117 -1.146 9.294 -5.655 1.00 0.00 C ATOM 1874 CG2 VAL A 117 0.487 11.102 -6.235 1.00 0.00 C ATOM 0 H VAL A 117 0.497 9.473 -8.290 1.00 0.00 H new ATOM 0 HA VAL A 117 -2.344 10.110 -7.954 1.00 0.00 H new ATOM 0 HB VAL A 117 -1.607 11.351 -5.959 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -0.880 9.424 -4.606 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -2.191 8.992 -5.730 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -0.513 8.525 -6.097 1.00 0.00 H new ATOM 0 HG21 VAL A 117 0.721 11.201 -5.175 1.00 0.00 H new ATOM 0 HG22 VAL A 117 1.173 10.389 -6.693 1.00 0.00 H new ATOM 0 HG23 VAL A 117 0.593 12.071 -6.722 1.00 0.00 H new ATOM 1884 N GLU A 118 -0.379 11.845 -9.637 1.00 0.00 N ATOM 1885 CA GLU A 118 -0.185 13.065 -10.400 1.00 0.00 C ATOM 1886 C GLU A 118 -0.959 12.993 -11.708 1.00 0.00 C ATOM 1887 O GLU A 118 -1.062 11.932 -12.324 1.00 0.00 O ATOM 1888 CB GLU A 118 1.295 13.308 -10.675 1.00 0.00 C ATOM 1889 CG GLU A 118 1.570 14.661 -11.304 1.00 0.00 C ATOM 1890 CD GLU A 118 1.044 15.817 -10.475 1.00 0.00 C ATOM 1891 OE1 GLU A 118 -0.191 16.019 -10.438 1.00 0.00 O ATOM 1892 OE2 GLU A 118 1.863 16.534 -9.863 1.00 0.00 O ATOM 0 H GLU A 118 0.150 11.043 -9.981 1.00 0.00 H new ATOM 0 HA GLU A 118 -0.562 13.900 -9.810 1.00 0.00 H new ATOM 0 HB2 GLU A 118 1.850 13.229 -9.740 1.00 0.00 H new ATOM 0 HB3 GLU A 118 1.669 12.525 -11.334 1.00 0.00 H new ATOM 0 HG2 GLU A 118 2.645 14.780 -11.442 1.00 0.00 H new ATOM 0 HG3 GLU A 118 1.115 14.695 -12.294 1.00 0.00 H new