USER MOD reduce.3.24.130724 H: found=0, std=0, add=1058, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 1062 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: B 39 MET CE :methyl -157:sc= -9.1! (180deg=-9.75!) USER MOD Set 1.2: B 59 MET CE :methyl -137:sc= -21! (180deg=-23.2!) USER MOD Set 2.1: A 74 GLN :FLIP amide:sc= -2.16 F(o=-8.2!,f=-4.4) USER MOD Set 2.2: B 74 GLN :FLIP amide:sc= -2.28 F(o=-8.3!,f=-4.4) USER MOD Set 3.1: A 39 MET CE :methyl -167:sc= -9.15! (180deg=-9.52!) USER MOD Set 3.2: A 59 MET CE :methyl -126:sc= -21.2! (180deg=-23.2!) USER MOD Set 4.1: A 12 SER OG : rot -51:sc= -0.538 USER MOD Set 4.2: B 12 SER OG : rot -49:sc= -0.64 USER MOD Single : A 4 THR OG1 : rot -150:sc=8.26e-05 USER MOD Single : A 6 THR OG1 : rot -125:sc= -0.182 USER MOD Single : A 9 CYS SG : rot 83:sc= 1.16 USER MOD Single : A 18 GLN :FLIP amide:sc= -0.197 F(o=-0.77,f=-0.2) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot 30:sc= -2.15 USER MOD Single : A 29 THR OG1 : rot -150:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= -1 USER MOD Single : A 32 LYS NZ :NH3+ -144:sc= -0.117 (180deg=-0.679) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -2.85 K(o=-2.9,f=-4.3!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 MET CE :methyl 141:sc= -3.94! (180deg=-8.64!) USER MOD Single : A 70 GLN :FLIP amide:sc= -2.63! C(o=-4.1!,f=-2.6!) USER MOD Single : A 78 ASN : amide:sc= -0.896 X(o=-0.9,f=-0.45) USER MOD Single : A 87 CYS SG : rot -100:sc= -0.976 USER MOD Single : A 88 HIS : no HD1:sc= -1.88 K(o=-1.9,f=-3.8) USER MOD Single : A 90 SER OG : rot 167:sc= 1.26 USER MOD Single : B 4 THR OG1 : rot -149:sc= 0 USER MOD Single : B 6 THR OG1 : rot -121:sc= -0.222 USER MOD Single : B 9 CYS SG : rot 85:sc= 1.11 USER MOD Single : B 18 GLN :FLIP amide:sc= -0.189 F(o=-0.74,f=-0.19) USER MOD Single : B 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 20 TYR OH : rot 30:sc= -2.2 USER MOD Single : B 29 THR OG1 : rot -150:sc= 0 USER MOD Single : B 31 SER OG : rot 180:sc= -0.994 USER MOD Single : B 32 LYS NZ :NH3+ -104:sc= -0.0905 (180deg=-0.721) USER MOD Single : B 33 THR OG1 : rot 180:sc= 0 USER MOD Single : B 37 SER OG : rot 180:sc= 0 USER MOD Single : B 40 ASN : amide:sc= -2.84 K(o=-2.8,f=-4.3!) USER MOD Single : B 41 THR OG1 : rot 180:sc= 0 USER MOD Single : B 47 THR OG1 : rot 180:sc= 0 USER MOD Single : B 60 MET CE :methyl 141:sc= -4.16 (180deg=-8.76!) USER MOD Single : B 70 GLN :FLIP amide:sc= -2.69! C(o=-4.1!,f=-2.7!) USER MOD Single : B 78 ASN : amide:sc= -0.822 X(o=-0.82,f=-0.54) USER MOD Single : B 87 CYS SG : rot 49:sc= -0.972 USER MOD Single : B 88 HIS : no HD1:sc= -1.87 K(o=-1.9,f=-3.8) USER MOD Single : B 90 SER OG : rot 163:sc= 1.33 USER MOD ----------------------------------------------------------------- ATOM 51 N THR A 4 8.839 -4.568 14.941 1.00 0.00 N ATOM 52 CA THR A 4 9.304 -3.331 14.323 1.00 0.00 C ATOM 53 C THR A 4 8.135 -2.453 13.906 1.00 0.00 C ATOM 54 O THR A 4 7.084 -2.940 13.492 1.00 0.00 O ATOM 55 CB THR A 4 10.205 -3.631 13.117 1.00 0.00 C ATOM 56 OG1 THR A 4 10.249 -2.523 12.234 1.00 0.00 O ATOM 57 CG2 THR A 4 9.768 -4.838 12.313 1.00 0.00 C ATOM 0 HA THR A 4 9.888 -2.787 15.066 1.00 0.00 H new ATOM 0 HB THR A 4 11.186 -3.840 13.544 1.00 0.00 H new ATOM 0 HG1 THR A 4 10.390 -2.840 11.318 1.00 0.00 H new ATOM 0 HG21 THR A 4 10.453 -4.986 11.478 1.00 0.00 H new ATOM 0 HG22 THR A 4 9.776 -5.722 12.950 1.00 0.00 H new ATOM 0 HG23 THR A 4 8.760 -4.675 11.931 1.00 0.00 H new ATOM 65 N GLU A 5 8.339 -1.148 14.027 1.00 0.00 N ATOM 66 CA GLU A 5 7.325 -0.165 13.675 1.00 0.00 C ATOM 67 C GLU A 5 6.671 -0.504 12.337 1.00 0.00 C ATOM 68 O GLU A 5 5.458 -0.372 12.175 1.00 0.00 O ATOM 69 CB GLU A 5 7.969 1.215 13.618 1.00 0.00 C ATOM 70 CG GLU A 5 7.131 2.309 14.261 1.00 0.00 C ATOM 71 CD GLU A 5 7.877 3.051 15.352 1.00 0.00 C ATOM 72 OE1 GLU A 5 8.246 2.410 16.360 1.00 0.00 O ATOM 73 OE2 GLU A 5 8.092 4.271 15.201 1.00 0.00 O ATOM 0 H GLU A 5 9.210 -0.743 14.371 1.00 0.00 H new ATOM 0 HA GLU A 5 6.543 -0.174 14.435 1.00 0.00 H new ATOM 0 HB2 GLU A 5 8.939 1.174 14.114 1.00 0.00 H new ATOM 0 HB3 GLU A 5 8.154 1.477 12.576 1.00 0.00 H new ATOM 0 HG2 GLU A 5 6.816 3.018 13.495 1.00 0.00 H new ATOM 0 HG3 GLU A 5 6.226 1.869 14.680 1.00 0.00 H new ATOM 80 N THR A 6 7.485 -0.955 11.389 1.00 0.00 N ATOM 81 CA THR A 6 6.988 -1.329 10.073 1.00 0.00 C ATOM 82 C THR A 6 6.162 -2.607 10.165 1.00 0.00 C ATOM 83 O THR A 6 5.149 -2.756 9.483 1.00 0.00 O ATOM 84 CB THR A 6 8.156 -1.529 9.106 1.00 0.00 C ATOM 85 OG1 THR A 6 9.192 -0.601 9.374 1.00 0.00 O ATOM 86 CG2 THR A 6 7.764 -1.371 7.655 1.00 0.00 C ATOM 0 H THR A 6 8.491 -1.070 11.509 1.00 0.00 H new ATOM 0 HA THR A 6 6.353 -0.526 9.698 1.00 0.00 H new ATOM 0 HB THR A 6 8.492 -2.554 9.266 1.00 0.00 H new ATOM 0 HG1 THR A 6 9.409 -0.107 8.556 1.00 0.00 H new ATOM 0 HG21 THR A 6 8.639 -1.525 7.023 1.00 0.00 H new ATOM 0 HG22 THR A 6 7.000 -2.106 7.403 1.00 0.00 H new ATOM 0 HG23 THR A 6 7.371 -0.368 7.492 1.00 0.00 H new ATOM 94 N GLU A 7 6.603 -3.523 11.023 1.00 0.00 N ATOM 95 CA GLU A 7 5.915 -4.796 11.217 1.00 0.00 C ATOM 96 C GLU A 7 4.435 -4.578 11.516 1.00 0.00 C ATOM 97 O GLU A 7 3.578 -5.315 11.028 1.00 0.00 O ATOM 98 CB GLU A 7 6.569 -5.581 12.360 1.00 0.00 C ATOM 99 CG GLU A 7 7.172 -6.905 11.917 1.00 0.00 C ATOM 100 CD GLU A 7 6.398 -8.102 12.436 1.00 0.00 C ATOM 101 OE1 GLU A 7 5.164 -7.990 12.588 1.00 0.00 O ATOM 102 OE2 GLU A 7 7.027 -9.151 12.690 1.00 0.00 O ATOM 0 H GLU A 7 7.438 -3.406 11.597 1.00 0.00 H new ATOM 0 HA GLU A 7 5.998 -5.370 10.294 1.00 0.00 H new ATOM 0 HB2 GLU A 7 7.349 -4.968 12.812 1.00 0.00 H new ATOM 0 HB3 GLU A 7 5.824 -5.770 13.133 1.00 0.00 H new ATOM 0 HG2 GLU A 7 7.201 -6.940 10.828 1.00 0.00 H new ATOM 0 HG3 GLU A 7 8.203 -6.965 12.265 1.00 0.00 H new ATOM 109 N ARG A 8 4.140 -3.558 12.313 1.00 0.00 N ATOM 110 CA ARG A 8 2.763 -3.242 12.666 1.00 0.00 C ATOM 111 C ARG A 8 2.063 -2.525 11.516 1.00 0.00 C ATOM 112 O ARG A 8 0.842 -2.597 11.377 1.00 0.00 O ATOM 113 CB ARG A 8 2.721 -2.376 13.927 1.00 0.00 C ATOM 114 CG ARG A 8 3.226 -3.092 15.169 1.00 0.00 C ATOM 115 CD ARG A 8 3.556 -2.112 16.282 1.00 0.00 C ATOM 116 NE ARG A 8 3.760 -2.785 17.562 1.00 0.00 N ATOM 117 CZ ARG A 8 3.724 -2.168 18.740 1.00 0.00 C ATOM 118 NH1 ARG A 8 3.495 -0.862 18.805 1.00 0.00 N ATOM 119 NH2 ARG A 8 3.917 -2.858 19.856 1.00 0.00 N ATOM 0 H ARG A 8 4.836 -2.937 12.726 1.00 0.00 H new ATOM 0 HA ARG A 8 2.239 -4.177 12.863 1.00 0.00 H new ATOM 0 HB2 ARG A 8 3.321 -1.481 13.764 1.00 0.00 H new ATOM 0 HB3 ARG A 8 1.696 -2.046 14.098 1.00 0.00 H new ATOM 0 HG2 ARG A 8 2.471 -3.797 15.516 1.00 0.00 H new ATOM 0 HG3 ARG A 8 4.114 -3.673 14.919 1.00 0.00 H new ATOM 0 HD2 ARG A 8 4.455 -1.554 16.019 1.00 0.00 H new ATOM 0 HD3 ARG A 8 2.747 -1.387 16.378 1.00 0.00 H new ATOM 0 HE ARG A 8 3.941 -3.789 17.552 1.00 0.00 H new ATOM 0 HH11 ARG A 8 3.346 -0.327 17.949 1.00 0.00 H new ATOM 0 HH12 ARG A 8 3.468 -0.393 19.711 1.00 0.00 H new ATOM 0 HH21 ARG A 8 4.093 -3.862 19.811 1.00 0.00 H new ATOM 0 HH22 ARG A 8 3.889 -2.385 20.759 1.00 0.00 H new ATOM 132 N CYS A 9 2.846 -1.832 10.692 1.00 0.00 N ATOM 133 CA CYS A 9 2.305 -1.100 9.553 1.00 0.00 C ATOM 134 C CYS A 9 1.855 -2.051 8.451 1.00 0.00 C ATOM 135 O CYS A 9 0.728 -1.966 7.966 1.00 0.00 O ATOM 136 CB CYS A 9 3.348 -0.123 9.006 1.00 0.00 C ATOM 137 SG CYS A 9 3.895 1.118 10.202 1.00 0.00 S ATOM 0 H CYS A 9 3.859 -1.763 10.794 1.00 0.00 H new ATOM 0 HA CYS A 9 1.435 -0.540 9.897 1.00 0.00 H new ATOM 0 HB2 CYS A 9 4.215 -0.688 8.663 1.00 0.00 H new ATOM 0 HB3 CYS A 9 2.933 0.385 8.135 1.00 0.00 H new ATOM 0 HG CYS A 9 4.817 0.609 10.964 1.00 0.00 H new ATOM 143 N ILE A 10 2.745 -2.952 8.056 1.00 0.00 N ATOM 144 CA ILE A 10 2.445 -3.915 7.008 1.00 0.00 C ATOM 145 C ILE A 10 1.155 -4.679 7.299 1.00 0.00 C ATOM 146 O ILE A 10 0.238 -4.691 6.484 1.00 0.00 O ATOM 147 CB ILE A 10 3.605 -4.922 6.844 1.00 0.00 C ATOM 148 CG1 ILE A 10 4.900 -4.192 6.497 1.00 0.00 C ATOM 149 CG2 ILE A 10 3.283 -5.952 5.773 1.00 0.00 C ATOM 150 CD1 ILE A 10 5.974 -4.334 7.547 1.00 0.00 C ATOM 0 H ILE A 10 3.683 -3.035 8.448 1.00 0.00 H new ATOM 0 HA ILE A 10 2.316 -3.352 6.084 1.00 0.00 H new ATOM 0 HB ILE A 10 3.736 -5.442 7.793 1.00 0.00 H new ATOM 0 HG12 ILE A 10 5.279 -4.573 5.548 1.00 0.00 H new ATOM 0 HG13 ILE A 10 4.683 -3.134 6.352 1.00 0.00 H new ATOM 0 HG21 ILE A 10 4.115 -6.649 5.677 1.00 0.00 H new ATOM 0 HG22 ILE A 10 2.382 -6.498 6.053 1.00 0.00 H new ATOM 0 HG23 ILE A 10 3.120 -5.448 4.820 1.00 0.00 H new ATOM 0 HD11 ILE A 10 6.864 -3.790 7.233 1.00 0.00 H new ATOM 0 HD12 ILE A 10 5.615 -3.927 8.492 1.00 0.00 H new ATOM 0 HD13 ILE A 10 6.220 -5.388 7.676 1.00 0.00 H new ATOM 162 N GLU A 11 1.100 -5.323 8.458 1.00 0.00 N ATOM 163 CA GLU A 11 -0.066 -6.113 8.850 1.00 0.00 C ATOM 164 C GLU A 11 -1.367 -5.321 8.743 1.00 0.00 C ATOM 165 O GLU A 11 -2.437 -5.900 8.555 1.00 0.00 O ATOM 166 CB GLU A 11 0.108 -6.640 10.274 1.00 0.00 C ATOM 167 CG GLU A 11 0.140 -8.157 10.351 1.00 0.00 C ATOM 168 CD GLU A 11 -0.725 -8.704 11.470 1.00 0.00 C ATOM 169 OE1 GLU A 11 -1.925 -8.949 11.227 1.00 0.00 O ATOM 170 OE2 GLU A 11 -0.202 -8.886 12.590 1.00 0.00 O ATOM 0 H GLU A 11 1.852 -5.315 9.147 1.00 0.00 H new ATOM 0 HA GLU A 11 -0.136 -6.950 8.155 1.00 0.00 H new ATOM 0 HB2 GLU A 11 1.033 -6.242 10.691 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -0.708 -6.268 10.894 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -0.196 -8.572 9.401 1.00 0.00 H new ATOM 0 HG3 GLU A 11 1.168 -8.488 10.497 1.00 0.00 H new ATOM 177 N SER A 12 -1.280 -4.007 8.883 1.00 0.00 N ATOM 178 CA SER A 12 -2.468 -3.162 8.820 1.00 0.00 C ATOM 179 C SER A 12 -3.110 -3.166 7.432 1.00 0.00 C ATOM 180 O SER A 12 -4.300 -3.446 7.299 1.00 0.00 O ATOM 181 CB SER A 12 -2.117 -1.730 9.223 1.00 0.00 C ATOM 182 OG SER A 12 -0.845 -1.667 9.843 1.00 0.00 O ATOM 0 H SER A 12 -0.407 -3.503 9.040 1.00 0.00 H new ATOM 0 HA SER A 12 -3.194 -3.576 9.519 1.00 0.00 H new ATOM 0 HB2 SER A 12 -2.126 -1.089 8.341 1.00 0.00 H new ATOM 0 HB3 SER A 12 -2.876 -1.345 9.905 1.00 0.00 H new ATOM 0 HG SER A 12 -0.800 -2.327 10.566 1.00 0.00 H new ATOM 188 N LEU A 13 -2.333 -2.823 6.408 1.00 0.00 N ATOM 189 CA LEU A 13 -2.844 -2.754 5.042 1.00 0.00 C ATOM 190 C LEU A 13 -3.145 -4.130 4.439 1.00 0.00 C ATOM 191 O LEU A 13 -4.003 -4.259 3.570 1.00 0.00 O ATOM 192 CB LEU A 13 -1.854 -1.994 4.174 1.00 0.00 C ATOM 193 CG LEU A 13 -2.151 -0.504 4.039 1.00 0.00 C ATOM 194 CD1 LEU A 13 -3.452 -0.294 3.291 1.00 0.00 C ATOM 195 CD2 LEU A 13 -2.231 0.171 5.399 1.00 0.00 C ATOM 0 H LEU A 13 -1.345 -2.588 6.499 1.00 0.00 H new ATOM 0 HA LEU A 13 -3.797 -2.226 5.076 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.854 -2.117 4.591 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.842 -2.442 3.180 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.332 -0.053 3.479 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.652 0.774 3.202 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.375 -0.733 2.296 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.266 -0.771 3.836 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.444 1.232 5.267 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.026 -0.288 5.987 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.281 0.054 5.920 1.00 0.00 H new ATOM 207 N ILE A 14 -2.451 -5.157 4.886 1.00 0.00 N ATOM 208 CA ILE A 14 -2.688 -6.489 4.370 1.00 0.00 C ATOM 209 C ILE A 14 -4.053 -6.987 4.774 1.00 0.00 C ATOM 210 O ILE A 14 -4.717 -7.706 4.037 1.00 0.00 O ATOM 211 CB ILE A 14 -1.704 -7.499 4.945 1.00 0.00 C ATOM 212 CG1 ILE A 14 -0.284 -6.979 4.929 1.00 0.00 C ATOM 213 CG2 ILE A 14 -1.808 -8.803 4.195 1.00 0.00 C ATOM 214 CD1 ILE A 14 0.546 -7.632 5.997 1.00 0.00 C ATOM 0 H ILE A 14 -1.724 -5.096 5.599 1.00 0.00 H new ATOM 0 HA ILE A 14 -2.585 -6.410 3.288 1.00 0.00 H new ATOM 0 HB ILE A 14 -1.968 -7.667 5.989 1.00 0.00 H new ATOM 0 HG12 ILE A 14 0.163 -7.165 3.953 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -0.288 -5.899 5.077 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -1.101 -9.520 4.612 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.821 -9.196 4.287 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -1.578 -8.637 3.143 1.00 0.00 H new ATOM 0 HD11 ILE A 14 1.562 -7.238 5.960 1.00 0.00 H new ATOM 0 HD12 ILE A 14 0.111 -7.424 6.974 1.00 0.00 H new ATOM 0 HD13 ILE A 14 0.569 -8.709 5.832 1.00 0.00 H new ATOM 226 N ALA A 15 -4.422 -6.635 5.987 1.00 0.00 N ATOM 227 CA ALA A 15 -5.661 -7.078 6.579 1.00 0.00 C ATOM 228 C ALA A 15 -6.866 -6.354 6.007 1.00 0.00 C ATOM 229 O ALA A 15 -7.932 -6.950 5.853 1.00 0.00 O ATOM 230 CB ALA A 15 -5.544 -6.934 8.078 1.00 0.00 C ATOM 0 H ALA A 15 -3.866 -6.030 6.592 1.00 0.00 H new ATOM 0 HA ALA A 15 -5.831 -8.127 6.334 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -6.470 -7.263 8.549 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.717 -7.545 8.439 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.360 -5.890 8.330 1.00 0.00 H new ATOM 236 N VAL A 16 -6.693 -5.090 5.638 1.00 0.00 N ATOM 237 CA VAL A 16 -7.773 -4.346 5.024 1.00 0.00 C ATOM 238 C VAL A 16 -8.296 -5.159 3.850 1.00 0.00 C ATOM 239 O VAL A 16 -9.497 -5.227 3.590 1.00 0.00 O ATOM 240 CB VAL A 16 -7.277 -2.987 4.506 1.00 0.00 C ATOM 241 CG1 VAL A 16 -6.658 -2.173 5.621 1.00 0.00 C ATOM 242 CG2 VAL A 16 -6.267 -3.195 3.402 1.00 0.00 C ATOM 0 H VAL A 16 -5.824 -4.569 5.754 1.00 0.00 H new ATOM 0 HA VAL A 16 -8.555 -4.169 5.763 1.00 0.00 H new ATOM 0 HB VAL A 16 -8.134 -2.438 4.116 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -6.316 -1.216 5.226 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -7.400 -1.999 6.400 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -5.811 -2.716 6.041 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -5.920 -2.227 3.040 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -5.420 -3.764 3.786 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -6.731 -3.744 2.583 1.00 0.00 H new ATOM 252 N PHE A 17 -7.348 -5.792 3.161 1.00 0.00 N ATOM 253 CA PHE A 17 -7.650 -6.636 2.014 1.00 0.00 C ATOM 254 C PHE A 17 -8.188 -7.996 2.474 1.00 0.00 C ATOM 255 O PHE A 17 -9.296 -8.386 2.110 1.00 0.00 O ATOM 256 CB PHE A 17 -6.386 -6.807 1.158 1.00 0.00 C ATOM 257 CG PHE A 17 -6.372 -8.037 0.293 1.00 0.00 C ATOM 258 CD1 PHE A 17 -6.892 -8.004 -0.991 1.00 0.00 C ATOM 259 CD2 PHE A 17 -5.831 -9.221 0.763 1.00 0.00 C ATOM 260 CE1 PHE A 17 -6.872 -9.133 -1.789 1.00 0.00 C ATOM 261 CE2 PHE A 17 -5.808 -10.351 -0.030 1.00 0.00 C ATOM 262 CZ PHE A 17 -6.329 -10.308 -1.308 1.00 0.00 C ATOM 0 H PHE A 17 -6.354 -5.733 3.383 1.00 0.00 H new ATOM 0 HA PHE A 17 -8.423 -6.160 1.410 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -6.275 -5.930 0.520 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -5.518 -6.834 1.817 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -7.317 -7.087 -1.372 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -5.422 -9.261 1.762 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -7.281 -9.096 -2.788 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -5.383 -11.268 0.349 1.00 0.00 H new ATOM 0 HZ PHE A 17 -6.312 -11.191 -1.930 1.00 0.00 H new ATOM 272 N GLN A 18 -7.394 -8.709 3.277 1.00 0.00 N ATOM 273 CA GLN A 18 -7.786 -10.028 3.784 1.00 0.00 C ATOM 274 C GLN A 18 -9.188 -10.013 4.377 1.00 0.00 C ATOM 275 O GLN A 18 -9.923 -10.994 4.270 1.00 0.00 O ATOM 276 CB GLN A 18 -6.813 -10.510 4.867 1.00 0.00 C ATOM 277 CG GLN A 18 -5.352 -10.272 4.545 1.00 0.00 C ATOM 278 CD GLN A 18 -4.723 -11.434 3.817 1.00 0.00 C ATOM 279 OE1 GLN A 18 -5.227 -11.705 2.623 1.00 0.00 O flip ATOM 280 NE2 GLN A 18 -3.800 -12.077 4.317 1.00 0.00 N flip ATOM 0 H GLN A 18 -6.475 -8.395 3.591 1.00 0.00 H new ATOM 0 HA GLN A 18 -7.764 -10.705 2.930 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -7.053 -10.007 5.804 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -6.968 -11.577 5.029 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -5.260 -9.373 3.936 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -4.805 -10.088 5.470 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -3.447 -11.828 5.241 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -3.388 -12.859 3.807 1.00 0.00 H new ATOM 289 N LYS A 19 -9.552 -8.913 5.022 1.00 0.00 N ATOM 290 CA LYS A 19 -10.864 -8.810 5.645 1.00 0.00 C ATOM 291 C LYS A 19 -11.976 -9.135 4.652 1.00 0.00 C ATOM 292 O LYS A 19 -12.820 -9.994 4.912 1.00 0.00 O ATOM 293 CB LYS A 19 -11.065 -7.400 6.204 1.00 0.00 C ATOM 294 CG LYS A 19 -12.068 -7.326 7.342 1.00 0.00 C ATOM 295 CD LYS A 19 -11.483 -7.868 8.636 1.00 0.00 C ATOM 296 CE LYS A 19 -10.438 -6.927 9.214 1.00 0.00 C ATOM 297 NZ LYS A 19 -10.649 -6.688 10.668 1.00 0.00 N ATOM 0 H LYS A 19 -8.963 -8.087 5.127 1.00 0.00 H new ATOM 0 HA LYS A 19 -10.911 -9.536 6.457 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -10.106 -7.018 6.553 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -11.395 -6.744 5.398 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -12.379 -6.292 7.487 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -12.961 -7.894 7.079 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -12.281 -8.017 9.363 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -11.033 -8.844 8.452 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -9.445 -7.347 9.056 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -10.471 -5.977 8.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -9.916 -6.042 11.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -11.587 -6.264 10.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -10.592 -7.591 11.180 1.00 0.00 H new ATOM 311 N TYR A 20 -11.955 -8.470 3.503 1.00 0.00 N ATOM 312 CA TYR A 20 -12.943 -8.719 2.463 1.00 0.00 C ATOM 313 C TYR A 20 -12.555 -9.947 1.658 1.00 0.00 C ATOM 314 O TYR A 20 -13.370 -10.831 1.390 1.00 0.00 O ATOM 315 CB TYR A 20 -13.096 -7.495 1.562 1.00 0.00 C ATOM 316 CG TYR A 20 -14.293 -6.645 1.920 1.00 0.00 C ATOM 317 CD1 TYR A 20 -14.286 -5.847 3.057 1.00 0.00 C ATOM 318 CD2 TYR A 20 -15.433 -6.645 1.126 1.00 0.00 C ATOM 319 CE1 TYR A 20 -15.380 -5.073 3.393 1.00 0.00 C ATOM 320 CE2 TYR A 20 -16.531 -5.874 1.455 1.00 0.00 C ATOM 321 CZ TYR A 20 -16.500 -5.090 2.589 1.00 0.00 C ATOM 322 OH TYR A 20 -17.591 -4.320 2.920 1.00 0.00 O ATOM 0 H TYR A 20 -11.266 -7.756 3.269 1.00 0.00 H new ATOM 0 HA TYR A 20 -13.908 -8.909 2.932 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -12.193 -6.888 1.627 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -13.186 -7.822 0.526 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -13.410 -5.831 3.689 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -15.461 -7.258 0.237 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -15.358 -4.458 4.281 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -17.410 -5.885 0.827 1.00 0.00 H new ATOM 0 HH TYR A 20 -17.293 -3.520 3.400 1.00 0.00 H new ATOM 332 N ALA A 21 -11.287 -9.968 1.272 1.00 0.00 N ATOM 333 CA ALA A 21 -10.716 -11.048 0.484 1.00 0.00 C ATOM 334 C ALA A 21 -10.884 -12.402 1.169 1.00 0.00 C ATOM 335 O ALA A 21 -10.825 -13.446 0.520 1.00 0.00 O ATOM 336 CB ALA A 21 -9.248 -10.741 0.232 1.00 0.00 C ATOM 0 H ALA A 21 -10.621 -9.229 1.499 1.00 0.00 H new ATOM 0 HA ALA A 21 -11.248 -11.115 -0.465 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.805 -11.543 -0.359 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -9.161 -9.800 -0.311 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -8.724 -10.660 1.185 1.00 0.00 H new ATOM 342 N GLY A 22 -11.093 -12.380 2.481 1.00 0.00 N ATOM 343 CA GLY A 22 -11.267 -13.616 3.222 1.00 0.00 C ATOM 344 C GLY A 22 -12.582 -14.300 2.904 1.00 0.00 C ATOM 345 O GLY A 22 -13.478 -13.692 2.320 1.00 0.00 O ATOM 0 H GLY A 22 -11.145 -11.531 3.044 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -10.444 -14.293 2.993 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -11.219 -13.406 4.290 1.00 0.00 H new ATOM 419 N VAL A 28 -6.788 -16.738 -2.553 1.00 0.00 N ATOM 420 CA VAL A 28 -6.387 -15.631 -1.693 1.00 0.00 C ATOM 421 C VAL A 28 -6.485 -14.299 -2.430 1.00 0.00 C ATOM 422 O VAL A 28 -5.512 -13.548 -2.515 1.00 0.00 O ATOM 423 CB VAL A 28 -4.949 -15.817 -1.174 1.00 0.00 C ATOM 424 CG1 VAL A 28 -4.865 -17.026 -0.254 1.00 0.00 C ATOM 425 CG2 VAL A 28 -3.978 -15.951 -2.336 1.00 0.00 C ATOM 0 HA VAL A 28 -7.072 -15.623 -0.845 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.671 -14.934 -0.598 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -3.842 -17.141 0.103 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -5.532 -16.883 0.596 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -5.162 -17.921 -0.801 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -2.966 -16.082 -1.952 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.251 -16.816 -2.940 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.019 -15.052 -2.950 1.00 0.00 H new ATOM 435 N THR A 29 -7.669 -14.011 -2.957 1.00 0.00 N ATOM 436 CA THR A 29 -7.902 -12.771 -3.683 1.00 0.00 C ATOM 437 C THR A 29 -9.202 -12.121 -3.237 1.00 0.00 C ATOM 438 O THR A 29 -9.973 -12.695 -2.468 1.00 0.00 O ATOM 439 CB THR A 29 -7.939 -13.022 -5.187 1.00 0.00 C ATOM 440 OG1 THR A 29 -8.790 -14.112 -5.495 1.00 0.00 O ATOM 441 CG2 THR A 29 -6.577 -13.314 -5.774 1.00 0.00 C ATOM 0 H THR A 29 -8.484 -14.622 -2.894 1.00 0.00 H new ATOM 0 HA THR A 29 -7.076 -12.095 -3.460 1.00 0.00 H new ATOM 0 HB THR A 29 -8.315 -12.098 -5.627 1.00 0.00 H new ATOM 0 HG1 THR A 29 -8.468 -14.559 -6.305 1.00 0.00 H new ATOM 0 HG21 THR A 29 -6.672 -13.483 -6.847 1.00 0.00 H new ATOM 0 HG22 THR A 29 -5.915 -12.466 -5.598 1.00 0.00 H new ATOM 0 HG23 THR A 29 -6.160 -14.204 -5.302 1.00 0.00 H new ATOM 449 N LEU A 30 -9.429 -10.915 -3.729 1.00 0.00 N ATOM 450 CA LEU A 30 -10.629 -10.158 -3.395 1.00 0.00 C ATOM 451 C LEU A 30 -11.508 -9.966 -4.636 1.00 0.00 C ATOM 452 O LEU A 30 -11.577 -10.848 -5.488 1.00 0.00 O ATOM 453 CB LEU A 30 -10.232 -8.807 -2.788 1.00 0.00 C ATOM 454 CG LEU A 30 -11.012 -8.395 -1.539 1.00 0.00 C ATOM 455 CD1 LEU A 30 -10.678 -6.965 -1.152 1.00 0.00 C ATOM 456 CD2 LEU A 30 -12.512 -8.559 -1.751 1.00 0.00 C ATOM 0 H LEU A 30 -8.794 -10.434 -4.366 1.00 0.00 H new ATOM 0 HA LEU A 30 -11.211 -10.715 -2.660 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -9.171 -8.837 -2.540 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -10.360 -8.035 -3.547 1.00 0.00 H new ATOM 0 HG LEU A 30 -10.716 -9.053 -0.722 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -11.242 -6.688 -0.261 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -9.611 -6.884 -0.946 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -10.941 -6.295 -1.971 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -13.042 -8.259 -0.847 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -12.832 -7.933 -2.584 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -12.736 -9.602 -1.974 1.00 0.00 H new ATOM 468 N SER A 31 -12.171 -8.816 -4.739 1.00 0.00 N ATOM 469 CA SER A 31 -13.026 -8.522 -5.878 1.00 0.00 C ATOM 470 C SER A 31 -13.259 -7.020 -5.976 1.00 0.00 C ATOM 471 O SER A 31 -13.467 -6.349 -4.965 1.00 0.00 O ATOM 472 CB SER A 31 -14.362 -9.261 -5.753 1.00 0.00 C ATOM 473 OG SER A 31 -14.494 -9.869 -4.479 1.00 0.00 O ATOM 0 H SER A 31 -12.129 -8.072 -4.042 1.00 0.00 H new ATOM 0 HA SER A 31 -12.530 -8.864 -6.786 1.00 0.00 H new ATOM 0 HB2 SER A 31 -15.183 -8.562 -5.912 1.00 0.00 H new ATOM 0 HB3 SER A 31 -14.434 -10.021 -6.531 1.00 0.00 H new ATOM 0 HG SER A 31 -15.356 -10.332 -4.425 1.00 0.00 H new ATOM 479 N LYS A 32 -13.213 -6.493 -7.193 1.00 0.00 N ATOM 480 CA LYS A 32 -13.409 -5.065 -7.412 1.00 0.00 C ATOM 481 C LYS A 32 -14.666 -4.567 -6.701 1.00 0.00 C ATOM 482 O LYS A 32 -14.667 -3.491 -6.102 1.00 0.00 O ATOM 483 CB LYS A 32 -13.505 -4.771 -8.911 1.00 0.00 C ATOM 484 CG LYS A 32 -14.530 -5.629 -9.635 1.00 0.00 C ATOM 485 CD LYS A 32 -15.802 -4.849 -9.931 1.00 0.00 C ATOM 486 CE LYS A 32 -15.579 -3.808 -11.017 1.00 0.00 C ATOM 487 NZ LYS A 32 -15.559 -2.425 -10.465 1.00 0.00 N ATOM 0 H LYS A 32 -13.042 -7.031 -8.042 1.00 0.00 H new ATOM 0 HA LYS A 32 -12.550 -4.538 -6.996 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -13.759 -3.720 -9.051 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -12.527 -4.926 -9.367 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -14.103 -5.998 -10.568 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -14.770 -6.501 -9.027 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -16.588 -5.537 -10.242 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -16.149 -4.359 -9.022 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -14.636 -4.010 -11.525 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -16.368 -3.889 -11.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -16.003 -1.774 -11.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -16.085 -2.402 -9.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -14.575 -2.132 -10.297 1.00 0.00 H new ATOM 501 N THR A 33 -15.733 -5.358 -6.769 1.00 0.00 N ATOM 502 CA THR A 33 -16.994 -5.008 -6.137 1.00 0.00 C ATOM 503 C THR A 33 -16.892 -5.129 -4.616 1.00 0.00 C ATOM 504 O THR A 33 -17.334 -4.247 -3.888 1.00 0.00 O ATOM 505 CB THR A 33 -18.114 -5.902 -6.682 1.00 0.00 C ATOM 506 OG1 THR A 33 -18.721 -5.306 -7.813 1.00 0.00 O ATOM 507 CG2 THR A 33 -19.209 -6.196 -5.679 1.00 0.00 C ATOM 0 H THR A 33 -15.745 -6.252 -7.260 1.00 0.00 H new ATOM 0 HA THR A 33 -17.228 -3.970 -6.372 1.00 0.00 H new ATOM 0 HB THR A 33 -17.624 -6.842 -6.936 1.00 0.00 H new ATOM 0 HG1 THR A 33 -19.432 -5.891 -8.149 1.00 0.00 H new ATOM 0 HG21 THR A 33 -19.963 -6.834 -6.140 1.00 0.00 H new ATOM 0 HG22 THR A 33 -18.783 -6.705 -4.814 1.00 0.00 H new ATOM 0 HG23 THR A 33 -19.670 -5.261 -5.359 1.00 0.00 H new ATOM 515 N GLU A 34 -16.304 -6.220 -4.132 1.00 0.00 N ATOM 516 CA GLU A 34 -16.158 -6.407 -2.693 1.00 0.00 C ATOM 517 C GLU A 34 -15.384 -5.239 -2.092 1.00 0.00 C ATOM 518 O GLU A 34 -15.587 -4.868 -0.936 1.00 0.00 O ATOM 519 CB GLU A 34 -15.455 -7.729 -2.386 1.00 0.00 C ATOM 520 CG GLU A 34 -16.417 -8.844 -2.012 1.00 0.00 C ATOM 521 CD GLU A 34 -15.772 -9.903 -1.139 1.00 0.00 C ATOM 522 OE1 GLU A 34 -14.809 -10.548 -1.603 1.00 0.00 O ATOM 523 OE2 GLU A 34 -16.230 -10.086 0.008 1.00 0.00 O ATOM 0 H GLU A 34 -15.927 -6.976 -4.704 1.00 0.00 H new ATOM 0 HA GLU A 34 -17.151 -6.441 -2.245 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -14.874 -8.035 -3.256 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -14.749 -7.577 -1.569 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -17.274 -8.419 -1.489 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -16.798 -9.310 -2.921 1.00 0.00 H new ATOM 530 N PHE A 35 -14.513 -4.649 -2.904 1.00 0.00 N ATOM 531 CA PHE A 35 -13.720 -3.503 -2.483 1.00 0.00 C ATOM 532 C PHE A 35 -14.628 -2.298 -2.267 1.00 0.00 C ATOM 533 O PHE A 35 -14.381 -1.459 -1.402 1.00 0.00 O ATOM 534 CB PHE A 35 -12.673 -3.179 -3.551 1.00 0.00 C ATOM 535 CG PHE A 35 -11.370 -2.671 -3.006 1.00 0.00 C ATOM 536 CD1 PHE A 35 -11.334 -1.819 -1.915 1.00 0.00 C ATOM 537 CD2 PHE A 35 -10.177 -3.046 -3.598 1.00 0.00 C ATOM 538 CE1 PHE A 35 -10.131 -1.350 -1.423 1.00 0.00 C ATOM 539 CE2 PHE A 35 -8.972 -2.581 -3.113 1.00 0.00 C ATOM 540 CZ PHE A 35 -8.947 -1.732 -2.025 1.00 0.00 C ATOM 0 H PHE A 35 -14.339 -4.949 -3.863 1.00 0.00 H new ATOM 0 HA PHE A 35 -13.215 -3.741 -1.547 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -12.482 -4.076 -4.139 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -13.084 -2.433 -4.231 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -12.257 -1.517 -1.443 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -10.189 -3.710 -4.449 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -10.116 -0.687 -0.571 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -8.048 -2.881 -3.585 1.00 0.00 H new ATOM 0 HZ PHE A 35 -8.004 -1.367 -1.645 1.00 0.00 H new ATOM 550 N LEU A 36 -15.687 -2.227 -3.068 1.00 0.00 N ATOM 551 CA LEU A 36 -16.649 -1.134 -2.987 1.00 0.00 C ATOM 552 C LEU A 36 -17.135 -0.928 -1.573 1.00 0.00 C ATOM 553 O LEU A 36 -17.005 0.153 -0.999 1.00 0.00 O ATOM 554 CB LEU A 36 -17.865 -1.451 -3.855 1.00 0.00 C ATOM 555 CG LEU A 36 -17.843 -0.833 -5.232 1.00 0.00 C ATOM 556 CD1 LEU A 36 -17.890 0.680 -5.109 1.00 0.00 C ATOM 557 CD2 LEU A 36 -16.607 -1.291 -5.988 1.00 0.00 C ATOM 0 H LEU A 36 -15.901 -2.919 -3.786 1.00 0.00 H new ATOM 0 HA LEU A 36 -16.145 -0.231 -3.331 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -17.946 -2.533 -3.960 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -18.762 -1.113 -3.336 1.00 0.00 H new ATOM 0 HG LEU A 36 -18.717 -1.158 -5.796 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -17.874 1.127 -6.103 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -18.804 0.975 -4.593 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -17.026 1.026 -4.542 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -16.600 -0.840 -6.980 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -15.713 -0.985 -5.444 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -16.620 -2.377 -6.083 1.00 0.00 H new ATOM 569 N SER A 37 -17.723 -1.978 -1.036 1.00 0.00 N ATOM 570 CA SER A 37 -18.276 -1.936 0.304 1.00 0.00 C ATOM 571 C SER A 37 -17.240 -1.473 1.325 1.00 0.00 C ATOM 572 O SER A 37 -17.510 -0.591 2.139 1.00 0.00 O ATOM 573 CB SER A 37 -18.828 -3.307 0.698 1.00 0.00 C ATOM 574 OG SER A 37 -19.913 -3.680 -0.134 1.00 0.00 O ATOM 0 H SER A 37 -17.831 -2.875 -1.509 1.00 0.00 H new ATOM 0 HA SER A 37 -19.090 -1.211 0.301 1.00 0.00 H new ATOM 0 HB2 SER A 37 -18.038 -4.054 0.627 1.00 0.00 H new ATOM 0 HB3 SER A 37 -19.154 -3.286 1.738 1.00 0.00 H new ATOM 0 HG SER A 37 -20.246 -4.561 0.138 1.00 0.00 H new ATOM 580 N PHE A 38 -16.053 -2.072 1.277 1.00 0.00 N ATOM 581 CA PHE A 38 -14.982 -1.715 2.202 1.00 0.00 C ATOM 582 C PHE A 38 -14.642 -0.232 2.097 1.00 0.00 C ATOM 583 O PHE A 38 -14.171 0.378 3.057 1.00 0.00 O ATOM 584 CB PHE A 38 -13.731 -2.548 1.924 1.00 0.00 C ATOM 585 CG PHE A 38 -12.608 -2.274 2.884 1.00 0.00 C ATOM 586 CD1 PHE A 38 -11.804 -1.156 2.729 1.00 0.00 C ATOM 587 CD2 PHE A 38 -12.357 -3.132 3.943 1.00 0.00 C ATOM 588 CE1 PHE A 38 -10.771 -0.900 3.611 1.00 0.00 C ATOM 589 CE2 PHE A 38 -11.325 -2.882 4.826 1.00 0.00 C ATOM 590 CZ PHE A 38 -10.531 -1.765 4.661 1.00 0.00 C ATOM 0 H PHE A 38 -15.809 -2.804 0.610 1.00 0.00 H new ATOM 0 HA PHE A 38 -15.333 -1.924 3.212 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -13.990 -3.606 1.971 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -13.388 -2.348 0.909 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -11.987 -0.477 1.909 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -12.976 -4.007 4.079 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -10.152 -0.025 3.479 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -11.139 -3.560 5.646 1.00 0.00 H new ATOM 0 HZ PHE A 38 -9.724 -1.568 5.351 1.00 0.00 H new ATOM 600 N MET A 39 -14.881 0.341 0.922 1.00 0.00 N ATOM 601 CA MET A 39 -14.597 1.750 0.689 1.00 0.00 C ATOM 602 C MET A 39 -15.617 2.641 1.389 1.00 0.00 C ATOM 603 O MET A 39 -15.258 3.483 2.208 1.00 0.00 O ATOM 604 CB MET A 39 -14.594 2.044 -0.812 1.00 0.00 C ATOM 605 CG MET A 39 -13.947 3.372 -1.173 1.00 0.00 C ATOM 606 SD MET A 39 -12.306 3.173 -1.895 1.00 0.00 S ATOM 607 CE MET A 39 -11.475 2.258 -0.599 1.00 0.00 C ATOM 0 H MET A 39 -15.271 -0.150 0.117 1.00 0.00 H new ATOM 0 HA MET A 39 -13.612 1.968 1.103 1.00 0.00 H new ATOM 0 HB2 MET A 39 -14.069 1.241 -1.330 1.00 0.00 H new ATOM 0 HB3 MET A 39 -15.621 2.039 -1.176 1.00 0.00 H new ATOM 0 HG2 MET A 39 -14.587 3.904 -1.877 1.00 0.00 H new ATOM 0 HG3 MET A 39 -13.873 3.991 -0.279 1.00 0.00 H new ATOM 0 HE1 MET A 39 -10.401 2.257 -0.786 1.00 0.00 H new ATOM 0 HE2 MET A 39 -11.675 2.728 0.364 1.00 0.00 H new ATOM 0 HE3 MET A 39 -11.842 1.232 -0.585 1.00 0.00 H new ATOM 617 N ASN A 40 -16.886 2.460 1.054 1.00 0.00 N ATOM 618 CA ASN A 40 -17.955 3.261 1.646 1.00 0.00 C ATOM 619 C ASN A 40 -18.103 3.003 3.146 1.00 0.00 C ATOM 620 O ASN A 40 -18.701 3.808 3.859 1.00 0.00 O ATOM 621 CB ASN A 40 -19.289 2.997 0.939 1.00 0.00 C ATOM 622 CG ASN A 40 -19.489 1.539 0.585 1.00 0.00 C ATOM 623 OD1 ASN A 40 -19.799 0.715 1.444 1.00 0.00 O ATOM 624 ND2 ASN A 40 -19.310 1.214 -0.690 1.00 0.00 N ATOM 0 H ASN A 40 -17.204 1.767 0.376 1.00 0.00 H new ATOM 0 HA ASN A 40 -17.678 4.307 1.511 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -20.106 3.325 1.581 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -19.338 3.596 0.030 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -19.429 0.247 -0.991 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -19.053 1.931 -1.368 1.00 0.00 H new ATOM 631 N THR A 41 -17.580 1.875 3.623 1.00 0.00 N ATOM 632 CA THR A 41 -17.692 1.528 5.040 1.00 0.00 C ATOM 633 C THR A 41 -16.460 1.928 5.847 1.00 0.00 C ATOM 634 O THR A 41 -16.566 2.219 7.038 1.00 0.00 O ATOM 635 CB THR A 41 -17.928 0.024 5.204 1.00 0.00 C ATOM 636 OG1 THR A 41 -18.277 -0.285 6.541 1.00 0.00 O ATOM 637 CG2 THR A 41 -16.731 -0.825 4.837 1.00 0.00 C ATOM 0 H THR A 41 -17.079 1.191 3.056 1.00 0.00 H new ATOM 0 HA THR A 41 -18.542 2.090 5.427 1.00 0.00 H new ATOM 0 HB THR A 41 -18.739 -0.211 4.514 1.00 0.00 H new ATOM 0 HG1 THR A 41 -18.425 -1.250 6.626 1.00 0.00 H new ATOM 0 HG21 THR A 41 -16.975 -1.878 4.979 1.00 0.00 H new ATOM 0 HG22 THR A 41 -16.468 -0.651 3.794 1.00 0.00 H new ATOM 0 HG23 THR A 41 -15.887 -0.559 5.474 1.00 0.00 H new ATOM 645 N GLU A 42 -15.291 1.902 5.220 1.00 0.00 N ATOM 646 CA GLU A 42 -14.055 2.224 5.929 1.00 0.00 C ATOM 647 C GLU A 42 -13.216 3.268 5.192 1.00 0.00 C ATOM 648 O GLU A 42 -12.044 3.468 5.508 1.00 0.00 O ATOM 649 CB GLU A 42 -13.244 0.942 6.140 1.00 0.00 C ATOM 650 CG GLU A 42 -14.105 -0.315 6.237 1.00 0.00 C ATOM 651 CD GLU A 42 -13.616 -1.274 7.305 1.00 0.00 C ATOM 652 OE1 GLU A 42 -12.416 -1.620 7.289 1.00 0.00 O ATOM 653 OE2 GLU A 42 -14.434 -1.676 8.160 1.00 0.00 O ATOM 0 H GLU A 42 -15.170 1.665 4.235 1.00 0.00 H new ATOM 0 HA GLU A 42 -14.324 2.659 6.892 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -12.540 0.827 5.316 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -12.655 1.040 7.052 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -15.135 -0.030 6.453 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -14.111 -0.823 5.273 1.00 0.00 H new ATOM 660 N LEU A 43 -13.827 3.940 4.224 1.00 0.00 N ATOM 661 CA LEU A 43 -13.151 4.976 3.448 1.00 0.00 C ATOM 662 C LEU A 43 -14.184 5.852 2.752 1.00 0.00 C ATOM 663 O LEU A 43 -14.026 6.223 1.589 1.00 0.00 O ATOM 664 CB LEU A 43 -12.204 4.352 2.415 1.00 0.00 C ATOM 665 CG LEU A 43 -10.931 3.714 2.986 1.00 0.00 C ATOM 666 CD1 LEU A 43 -10.043 3.204 1.863 1.00 0.00 C ATOM 667 CD2 LEU A 43 -10.169 4.706 3.857 1.00 0.00 C ATOM 0 H LEU A 43 -14.799 3.785 3.955 1.00 0.00 H new ATOM 0 HA LEU A 43 -12.558 5.589 4.127 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -12.752 3.592 1.858 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -11.914 5.123 1.701 1.00 0.00 H new ATOM 0 HG LEU A 43 -11.225 2.870 3.609 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -9.144 2.754 2.285 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -10.584 2.457 1.282 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -9.763 4.034 1.215 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -9.271 4.230 4.250 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -9.888 5.574 3.260 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -10.802 5.025 4.685 1.00 0.00 H new ATOM 679 N ALA A 44 -15.248 6.172 3.482 1.00 0.00 N ATOM 680 CA ALA A 44 -16.326 6.997 2.954 1.00 0.00 C ATOM 681 C ALA A 44 -15.909 8.458 2.898 1.00 0.00 C ATOM 682 O ALA A 44 -16.410 9.227 2.083 1.00 0.00 O ATOM 683 CB ALA A 44 -17.581 6.832 3.799 1.00 0.00 C ATOM 0 H ALA A 44 -15.386 5.870 4.446 1.00 0.00 H new ATOM 0 HA ALA A 44 -16.545 6.667 1.938 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -18.378 7.455 3.392 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -17.894 5.788 3.786 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -17.371 7.135 4.825 1.00 0.00 H new ATOM 689 N ALA A 45 -14.977 8.831 3.764 1.00 0.00 N ATOM 690 CA ALA A 45 -14.480 10.197 3.807 1.00 0.00 C ATOM 691 C ALA A 45 -13.663 10.524 2.556 1.00 0.00 C ATOM 692 O ALA A 45 -13.268 11.671 2.344 1.00 0.00 O ATOM 693 CB ALA A 45 -13.646 10.400 5.062 1.00 0.00 C ATOM 0 H ALA A 45 -14.550 8.205 4.447 1.00 0.00 H new ATOM 0 HA ALA A 45 -15.331 10.877 3.832 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -13.275 11.425 5.091 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -14.261 10.212 5.942 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -12.803 9.709 5.054 1.00 0.00 H new ATOM 699 N PHE A 46 -13.404 9.506 1.735 1.00 0.00 N ATOM 700 CA PHE A 46 -12.628 9.680 0.515 1.00 0.00 C ATOM 701 C PHE A 46 -13.490 9.479 -0.736 1.00 0.00 C ATOM 702 O PHE A 46 -13.075 9.824 -1.842 1.00 0.00 O ATOM 703 CB PHE A 46 -11.458 8.694 0.506 1.00 0.00 C ATOM 704 CG PHE A 46 -10.671 8.687 1.786 1.00 0.00 C ATOM 705 CD1 PHE A 46 -11.130 7.989 2.892 1.00 0.00 C ATOM 706 CD2 PHE A 46 -9.475 9.378 1.885 1.00 0.00 C ATOM 707 CE1 PHE A 46 -10.410 7.980 4.071 1.00 0.00 C ATOM 708 CE2 PHE A 46 -8.749 9.372 3.061 1.00 0.00 C ATOM 709 CZ PHE A 46 -9.218 8.672 4.156 1.00 0.00 C ATOM 0 H PHE A 46 -13.723 8.551 1.897 1.00 0.00 H new ATOM 0 HA PHE A 46 -12.250 10.702 0.497 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -11.840 7.691 0.318 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -10.791 8.941 -0.320 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -12.061 7.446 2.831 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -9.105 9.928 1.033 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -10.779 7.432 4.925 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -7.817 9.914 3.124 1.00 0.00 H new ATOM 0 HZ PHE A 46 -8.653 8.666 5.077 1.00 0.00 H new ATOM 719 N THR A 47 -14.685 8.914 -0.559 1.00 0.00 N ATOM 720 CA THR A 47 -15.585 8.662 -1.687 1.00 0.00 C ATOM 721 C THR A 47 -16.955 9.315 -1.482 1.00 0.00 C ATOM 722 O THR A 47 -17.717 9.477 -2.434 1.00 0.00 O ATOM 723 CB THR A 47 -15.763 7.155 -1.894 1.00 0.00 C ATOM 724 OG1 THR A 47 -16.744 6.639 -1.012 1.00 0.00 O ATOM 725 CG2 THR A 47 -14.491 6.366 -1.675 1.00 0.00 C ATOM 0 H THR A 47 -15.051 8.624 0.348 1.00 0.00 H new ATOM 0 HA THR A 47 -15.129 9.106 -2.572 1.00 0.00 H new ATOM 0 HB THR A 47 -16.068 7.042 -2.934 1.00 0.00 H new ATOM 0 HG1 THR A 47 -16.844 5.676 -1.161 1.00 0.00 H new ATOM 0 HG21 THR A 47 -14.688 5.306 -1.838 1.00 0.00 H new ATOM 0 HG22 THR A 47 -13.727 6.705 -2.375 1.00 0.00 H new ATOM 0 HG23 THR A 47 -14.140 6.517 -0.654 1.00 0.00 H new ATOM 841 N VAL A 55 -10.253 9.314 -7.074 1.00 0.00 N ATOM 842 CA VAL A 55 -9.683 8.536 -5.979 1.00 0.00 C ATOM 843 C VAL A 55 -10.000 7.050 -6.129 1.00 0.00 C ATOM 844 O VAL A 55 -9.100 6.223 -6.277 1.00 0.00 O ATOM 845 CB VAL A 55 -10.205 9.026 -4.614 1.00 0.00 C ATOM 846 CG1 VAL A 55 -9.495 8.308 -3.477 1.00 0.00 C ATOM 847 CG2 VAL A 55 -10.040 10.532 -4.486 1.00 0.00 C ATOM 0 HA VAL A 55 -8.603 8.677 -6.022 1.00 0.00 H new ATOM 0 HB VAL A 55 -11.268 8.793 -4.552 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -9.879 8.669 -2.523 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -9.672 7.235 -3.557 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -8.424 8.504 -3.535 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -10.414 10.858 -3.516 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -8.985 10.791 -4.574 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -10.602 11.028 -5.277 1.00 0.00 H new ATOM 857 N LEU A 56 -11.286 6.721 -6.079 1.00 0.00 N ATOM 858 CA LEU A 56 -11.742 5.343 -6.197 1.00 0.00 C ATOM 859 C LEU A 56 -11.667 4.846 -7.635 1.00 0.00 C ATOM 860 O LEU A 56 -11.521 3.654 -7.890 1.00 0.00 O ATOM 861 CB LEU A 56 -13.182 5.260 -5.709 1.00 0.00 C ATOM 862 CG LEU A 56 -14.010 4.122 -6.297 1.00 0.00 C ATOM 863 CD1 LEU A 56 -13.486 2.781 -5.821 1.00 0.00 C ATOM 864 CD2 LEU A 56 -15.466 4.302 -5.927 1.00 0.00 C ATOM 0 H LEU A 56 -12.038 7.399 -5.956 1.00 0.00 H new ATOM 0 HA LEU A 56 -11.091 4.712 -5.592 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -13.174 5.157 -4.624 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -13.679 6.203 -5.936 1.00 0.00 H new ATOM 0 HG LEU A 56 -13.925 4.144 -7.383 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -14.089 1.981 -6.251 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -12.449 2.663 -6.136 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -13.542 2.734 -4.733 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -16.052 3.486 -6.350 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -15.569 4.298 -4.842 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -15.827 5.251 -6.322 1.00 0.00 H new ATOM 876 N ASP A 57 -11.816 5.762 -8.565 1.00 0.00 N ATOM 877 CA ASP A 57 -11.805 5.421 -9.975 1.00 0.00 C ATOM 878 C ASP A 57 -10.390 5.148 -10.477 1.00 0.00 C ATOM 879 O ASP A 57 -10.204 4.382 -11.418 1.00 0.00 O ATOM 880 CB ASP A 57 -12.454 6.547 -10.772 1.00 0.00 C ATOM 881 CG ASP A 57 -12.932 6.092 -12.138 1.00 0.00 C ATOM 882 OD1 ASP A 57 -13.345 4.920 -12.262 1.00 0.00 O ATOM 883 OD2 ASP A 57 -12.893 6.909 -13.083 1.00 0.00 O ATOM 0 H ASP A 57 -11.947 6.755 -8.372 1.00 0.00 H new ATOM 0 HA ASP A 57 -12.376 4.503 -10.114 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -13.298 6.946 -10.210 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -11.739 7.361 -10.893 1.00 0.00 H new ATOM 888 N ARG A 58 -9.398 5.773 -9.848 1.00 0.00 N ATOM 889 CA ARG A 58 -8.002 5.586 -10.246 1.00 0.00 C ATOM 890 C ARG A 58 -7.463 4.233 -9.784 1.00 0.00 C ATOM 891 O ARG A 58 -6.795 3.530 -10.543 1.00 0.00 O ATOM 892 CB ARG A 58 -7.129 6.706 -9.678 1.00 0.00 C ATOM 893 CG ARG A 58 -6.975 7.894 -10.615 1.00 0.00 C ATOM 894 CD ARG A 58 -5.726 8.698 -10.294 1.00 0.00 C ATOM 895 NE ARG A 58 -5.962 10.137 -10.382 1.00 0.00 N ATOM 896 CZ ARG A 58 -5.003 11.053 -10.282 1.00 0.00 C ATOM 897 NH1 ARG A 58 -3.741 10.686 -10.090 1.00 0.00 N ATOM 898 NH2 ARG A 58 -5.304 12.342 -10.373 1.00 0.00 N ATOM 0 H ARG A 58 -9.532 6.411 -9.064 1.00 0.00 H new ATOM 0 HA ARG A 58 -7.967 5.615 -11.335 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -7.560 7.049 -8.738 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -6.142 6.305 -9.449 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -6.928 7.542 -11.646 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -7.852 8.536 -10.537 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -5.382 8.448 -9.290 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -4.929 8.419 -10.983 1.00 0.00 H new ATOM 0 HE ARG A 58 -6.919 10.458 -10.529 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -3.503 9.697 -10.018 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -3.010 11.393 -10.014 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -6.271 12.631 -10.520 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -4.568 13.044 -10.296 1.00 0.00 H new ATOM 911 N MET A 59 -7.744 3.881 -8.534 1.00 0.00 N ATOM 912 CA MET A 59 -7.279 2.625 -7.961 1.00 0.00 C ATOM 913 C MET A 59 -7.683 1.426 -8.807 1.00 0.00 C ATOM 914 O MET A 59 -6.847 0.610 -9.195 1.00 0.00 O ATOM 915 CB MET A 59 -7.899 2.476 -6.580 1.00 0.00 C ATOM 916 CG MET A 59 -9.345 2.944 -6.533 1.00 0.00 C ATOM 917 SD MET A 59 -10.340 1.999 -5.381 1.00 0.00 S ATOM 918 CE MET A 59 -9.315 2.232 -3.954 1.00 0.00 C ATOM 0 H MET A 59 -8.296 4.453 -7.895 1.00 0.00 H new ATOM 0 HA MET A 59 -6.190 2.651 -7.916 1.00 0.00 H new ATOM 0 HB2 MET A 59 -7.849 1.431 -6.275 1.00 0.00 H new ATOM 0 HB3 MET A 59 -7.313 3.047 -5.860 1.00 0.00 H new ATOM 0 HG2 MET A 59 -9.373 3.997 -6.252 1.00 0.00 H new ATOM 0 HG3 MET A 59 -9.780 2.868 -7.530 1.00 0.00 H new ATOM 0 HE1 MET A 59 -9.061 1.262 -3.526 1.00 0.00 H new ATOM 0 HE2 MET A 59 -8.402 2.752 -4.243 1.00 0.00 H new ATOM 0 HE3 MET A 59 -9.851 2.825 -3.214 1.00 0.00 H new ATOM 928 N MET A 60 -8.973 1.325 -9.074 1.00 0.00 N ATOM 929 CA MET A 60 -9.517 0.228 -9.853 1.00 0.00 C ATOM 930 C MET A 60 -9.119 0.334 -11.324 1.00 0.00 C ATOM 931 O MET A 60 -9.095 -0.661 -12.044 1.00 0.00 O ATOM 932 CB MET A 60 -11.034 0.203 -9.684 1.00 0.00 C ATOM 933 CG MET A 60 -11.464 -0.127 -8.257 1.00 0.00 C ATOM 934 SD MET A 60 -12.316 -1.708 -8.146 1.00 0.00 S ATOM 935 CE MET A 60 -11.204 -2.727 -9.109 1.00 0.00 C ATOM 0 H MET A 60 -9.670 1.999 -8.758 1.00 0.00 H new ATOM 0 HA MET A 60 -9.101 -0.711 -9.487 1.00 0.00 H new ATOM 0 HB2 MET A 60 -11.443 1.173 -9.967 1.00 0.00 H new ATOM 0 HB3 MET A 60 -11.459 -0.533 -10.366 1.00 0.00 H new ATOM 0 HG2 MET A 60 -10.586 -0.144 -7.611 1.00 0.00 H new ATOM 0 HG3 MET A 60 -12.118 0.662 -7.886 1.00 0.00 H new ATOM 0 HE1 MET A 60 -11.115 -3.709 -8.644 1.00 0.00 H new ATOM 0 HE2 MET A 60 -11.596 -2.838 -10.120 1.00 0.00 H new ATOM 0 HE3 MET A 60 -10.222 -2.255 -9.151 1.00 0.00 H new ATOM 1083 N GLN A 70 -8.562 -12.277 -10.457 1.00 0.00 N ATOM 1084 CA GLN A 70 -9.196 -11.676 -9.287 1.00 0.00 C ATOM 1085 C GLN A 70 -8.328 -10.560 -8.715 1.00 0.00 C ATOM 1086 O GLN A 70 -7.327 -10.174 -9.317 1.00 0.00 O ATOM 1087 CB GLN A 70 -9.454 -12.743 -8.221 1.00 0.00 C ATOM 1088 CG GLN A 70 -10.839 -13.364 -8.309 1.00 0.00 C ATOM 1089 CD GLN A 70 -11.860 -12.628 -7.466 1.00 0.00 C ATOM 1090 OE1 GLN A 70 -12.211 -11.416 -7.884 1.00 0.00 O flip ATOM 1091 NE2 GLN A 70 -12.329 -13.140 -6.450 1.00 0.00 N flip ATOM 0 HA GLN A 70 -10.149 -11.246 -9.596 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -8.705 -13.529 -8.316 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -9.326 -12.298 -7.234 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -11.166 -13.368 -9.349 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -10.788 -14.404 -7.987 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -12.032 -14.073 -6.165 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -13.015 -12.631 -5.893 1.00 0.00 H new ATOM 1100 N LEU A 71 -8.706 -10.051 -7.546 1.00 0.00 N ATOM 1101 CA LEU A 71 -7.953 -8.999 -6.903 1.00 0.00 C ATOM 1102 C LEU A 71 -6.587 -9.545 -6.488 1.00 0.00 C ATOM 1103 O LEU A 71 -6.046 -10.417 -7.168 1.00 0.00 O ATOM 1104 CB LEU A 71 -8.751 -8.456 -5.708 1.00 0.00 C ATOM 1105 CG LEU A 71 -9.552 -7.176 -5.976 1.00 0.00 C ATOM 1106 CD1 LEU A 71 -8.676 -5.948 -5.794 1.00 0.00 C ATOM 1107 CD2 LEU A 71 -10.159 -7.196 -7.374 1.00 0.00 C ATOM 0 H LEU A 71 -9.532 -10.356 -7.031 1.00 0.00 H new ATOM 0 HA LEU A 71 -7.786 -8.168 -7.589 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -9.440 -9.231 -5.371 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -8.059 -8.266 -4.888 1.00 0.00 H new ATOM 0 HG LEU A 71 -10.366 -7.130 -5.253 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -9.263 -5.050 -5.989 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.297 -5.919 -4.772 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -7.839 -5.992 -6.490 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -10.722 -6.277 -7.539 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -9.363 -7.272 -8.115 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -10.826 -8.053 -7.469 1.00 0.00 H new ATOM 1119 N ASP A 72 -6.038 -9.061 -5.378 1.00 0.00 N ATOM 1120 CA ASP A 72 -4.735 -9.543 -4.897 1.00 0.00 C ATOM 1121 C ASP A 72 -4.198 -8.696 -3.741 1.00 0.00 C ATOM 1122 O ASP A 72 -4.914 -7.880 -3.162 1.00 0.00 O ATOM 1123 CB ASP A 72 -3.698 -9.596 -6.036 1.00 0.00 C ATOM 1124 CG ASP A 72 -3.143 -8.235 -6.407 1.00 0.00 C ATOM 1125 OD1 ASP A 72 -2.440 -7.632 -5.569 1.00 0.00 O ATOM 1126 OD2 ASP A 72 -3.407 -7.773 -7.537 1.00 0.00 O ATOM 0 H ASP A 72 -6.466 -8.342 -4.795 1.00 0.00 H new ATOM 0 HA ASP A 72 -4.899 -10.555 -4.526 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -2.876 -10.247 -5.739 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -4.158 -10.045 -6.916 1.00 0.00 H new ATOM 1131 N PHE A 73 -2.929 -8.925 -3.405 1.00 0.00 N ATOM 1132 CA PHE A 73 -2.265 -8.225 -2.307 1.00 0.00 C ATOM 1133 C PHE A 73 -2.006 -6.752 -2.618 1.00 0.00 C ATOM 1134 O PHE A 73 -2.534 -5.868 -1.943 1.00 0.00 O ATOM 1135 CB PHE A 73 -0.935 -8.912 -2.008 1.00 0.00 C ATOM 1136 CG PHE A 73 -0.496 -8.835 -0.572 1.00 0.00 C ATOM 1137 CD1 PHE A 73 -0.895 -7.789 0.245 1.00 0.00 C ATOM 1138 CD2 PHE A 73 0.332 -9.814 -0.047 1.00 0.00 C ATOM 1139 CE1 PHE A 73 -0.475 -7.725 1.561 1.00 0.00 C ATOM 1140 CE2 PHE A 73 0.752 -9.755 1.266 1.00 0.00 C ATOM 1141 CZ PHE A 73 0.349 -8.711 2.070 1.00 0.00 C ATOM 0 H PHE A 73 -2.334 -9.600 -3.885 1.00 0.00 H new ATOM 0 HA PHE A 73 -2.931 -8.265 -1.445 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -1.011 -9.961 -2.295 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -0.162 -8.466 -2.634 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -1.539 -7.017 -0.149 1.00 0.00 H new ATOM 0 HD2 PHE A 73 0.653 -10.633 -0.673 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -0.790 -6.906 2.190 1.00 0.00 H new ATOM 0 HE2 PHE A 73 1.396 -10.526 1.663 1.00 0.00 H new ATOM 0 HZ PHE A 73 0.677 -8.663 3.098 1.00 0.00 H new ATOM 1151 N GLN A 74 -1.172 -6.487 -3.624 1.00 0.00 N ATOM 1152 CA GLN A 74 -0.839 -5.112 -3.980 1.00 0.00 C ATOM 1153 C GLN A 74 -2.046 -4.367 -4.523 1.00 0.00 C ATOM 1154 O GLN A 74 -2.188 -3.172 -4.293 1.00 0.00 O ATOM 1155 CB GLN A 74 0.304 -5.053 -4.994 1.00 0.00 C ATOM 1156 CG GLN A 74 0.752 -3.630 -5.315 1.00 0.00 C ATOM 1157 CD GLN A 74 0.876 -2.749 -4.079 1.00 0.00 C ATOM 1158 OE1 GLN A 74 0.154 -1.628 -4.067 1.00 0.00 O flip ATOM 1159 NE2 GLN A 74 1.610 -3.073 -3.145 1.00 0.00 N flip ATOM 0 H GLN A 74 -0.721 -7.198 -4.199 1.00 0.00 H new ATOM 0 HA GLN A 74 -0.513 -4.623 -3.062 1.00 0.00 H new ATOM 0 HB2 GLN A 74 1.154 -5.616 -4.607 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -0.011 -5.544 -5.915 1.00 0.00 H new ATOM 0 HG2 GLN A 74 1.714 -3.665 -5.827 1.00 0.00 H new ATOM 0 HG3 GLN A 74 0.040 -3.178 -6.006 1.00 0.00 H new ATOM 0 HE21 GLN A 74 2.146 -3.940 -3.194 1.00 0.00 H new ATOM 0 HE22 GLN A 74 1.682 -2.475 -2.322 1.00 0.00 H new ATOM 1168 N GLU A 75 -2.922 -5.071 -5.234 1.00 0.00 N ATOM 1169 CA GLU A 75 -4.120 -4.446 -5.785 1.00 0.00 C ATOM 1170 C GLU A 75 -4.778 -3.568 -4.742 1.00 0.00 C ATOM 1171 O GLU A 75 -5.120 -2.424 -5.011 1.00 0.00 O ATOM 1172 CB GLU A 75 -5.104 -5.504 -6.282 1.00 0.00 C ATOM 1173 CG GLU A 75 -5.410 -5.369 -7.760 1.00 0.00 C ATOM 1174 CD GLU A 75 -6.243 -6.513 -8.298 1.00 0.00 C ATOM 1175 OE1 GLU A 75 -5.753 -7.661 -8.289 1.00 0.00 O ATOM 1176 OE2 GLU A 75 -7.387 -6.261 -8.733 1.00 0.00 O ATOM 0 H GLU A 75 -2.827 -6.065 -5.441 1.00 0.00 H new ATOM 0 HA GLU A 75 -3.825 -3.828 -6.633 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -4.694 -6.495 -6.089 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -6.031 -5.427 -5.715 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -5.937 -4.431 -7.932 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -4.474 -5.315 -8.316 1.00 0.00 H new ATOM 1183 N PHE A 76 -4.932 -4.096 -3.543 1.00 0.00 N ATOM 1184 CA PHE A 76 -5.533 -3.330 -2.475 1.00 0.00 C ATOM 1185 C PHE A 76 -4.587 -2.230 -2.013 1.00 0.00 C ATOM 1186 O PHE A 76 -4.989 -1.080 -1.860 1.00 0.00 O ATOM 1187 CB PHE A 76 -5.907 -4.238 -1.305 1.00 0.00 C ATOM 1188 CG PHE A 76 -7.006 -3.684 -0.447 1.00 0.00 C ATOM 1189 CD1 PHE A 76 -6.844 -2.478 0.216 1.00 0.00 C ATOM 1190 CD2 PHE A 76 -8.204 -4.365 -0.309 1.00 0.00 C ATOM 1191 CE1 PHE A 76 -7.855 -1.963 1.002 1.00 0.00 C ATOM 1192 CE2 PHE A 76 -9.219 -3.857 0.477 1.00 0.00 C ATOM 1193 CZ PHE A 76 -9.044 -2.653 1.133 1.00 0.00 C ATOM 0 H PHE A 76 -4.652 -5.043 -3.288 1.00 0.00 H new ATOM 0 HA PHE A 76 -6.444 -2.868 -2.855 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -6.214 -5.209 -1.693 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -5.024 -4.405 -0.688 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -5.916 -1.935 0.117 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -8.346 -5.305 -0.822 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -7.716 -1.022 1.514 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -10.148 -4.399 0.579 1.00 0.00 H new ATOM 0 HZ PHE A 76 -9.837 -2.252 1.748 1.00 0.00 H new ATOM 1203 N LEU A 77 -3.320 -2.583 -1.807 1.00 0.00 N ATOM 1204 CA LEU A 77 -2.326 -1.608 -1.384 1.00 0.00 C ATOM 1205 C LEU A 77 -2.272 -0.463 -2.389 1.00 0.00 C ATOM 1206 O LEU A 77 -2.180 0.703 -2.017 1.00 0.00 O ATOM 1207 CB LEU A 77 -0.956 -2.271 -1.247 1.00 0.00 C ATOM 1208 CG LEU A 77 -0.672 -2.860 0.133 1.00 0.00 C ATOM 1209 CD1 LEU A 77 0.390 -3.946 0.050 1.00 0.00 C ATOM 1210 CD2 LEU A 77 -0.246 -1.758 1.087 1.00 0.00 C ATOM 0 H LEU A 77 -2.962 -3.531 -1.926 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.608 -1.208 -0.410 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.874 -3.064 -1.990 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -0.186 -1.536 -1.480 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.585 -3.318 0.513 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.575 -4.350 1.045 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.044 -4.744 -0.607 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.313 -3.523 -0.347 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.045 -2.185 2.070 1.00 0.00 H new ATOM 0 HD22 LEU A 77 0.656 -1.278 0.708 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.043 -1.019 1.169 1.00 0.00 H new ATOM 1222 N ASN A 78 -2.363 -0.816 -3.666 1.00 0.00 N ATOM 1223 CA ASN A 78 -2.366 0.165 -4.740 1.00 0.00 C ATOM 1224 C ASN A 78 -3.733 0.828 -4.803 1.00 0.00 C ATOM 1225 O ASN A 78 -3.845 2.036 -5.019 1.00 0.00 O ATOM 1226 CB ASN A 78 -2.026 -0.504 -6.085 1.00 0.00 C ATOM 1227 CG ASN A 78 -2.896 -0.031 -7.238 1.00 0.00 C ATOM 1228 OD1 ASN A 78 -2.899 1.151 -7.583 1.00 0.00 O ATOM 1229 ND2 ASN A 78 -3.638 -0.955 -7.837 1.00 0.00 N ATOM 0 H ASN A 78 -2.436 -1.783 -3.983 1.00 0.00 H new ATOM 0 HA ASN A 78 -1.606 0.921 -4.542 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -0.981 -0.307 -6.325 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -2.131 -1.584 -5.981 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -4.242 -0.697 -8.617 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -3.604 -1.923 -7.517 1.00 0.00 H new ATOM 1236 N LEU A 79 -4.773 0.022 -4.606 1.00 0.00 N ATOM 1237 CA LEU A 79 -6.135 0.524 -4.635 1.00 0.00 C ATOM 1238 C LEU A 79 -6.311 1.581 -3.553 1.00 0.00 C ATOM 1239 O LEU A 79 -6.634 2.728 -3.841 1.00 0.00 O ATOM 1240 CB LEU A 79 -7.132 -0.620 -4.424 1.00 0.00 C ATOM 1241 CG LEU A 79 -7.524 -1.429 -5.676 1.00 0.00 C ATOM 1242 CD1 LEU A 79 -8.878 -1.030 -6.194 1.00 0.00 C ATOM 1243 CD2 LEU A 79 -6.495 -1.324 -6.786 1.00 0.00 C ATOM 0 H LEU A 79 -4.694 -0.979 -4.425 1.00 0.00 H new ATOM 0 HA LEU A 79 -6.328 0.971 -5.610 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -6.712 -1.308 -3.691 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -8.040 -0.205 -3.988 1.00 0.00 H new ATOM 0 HG LEU A 79 -7.563 -2.470 -5.356 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -9.119 -1.622 -7.077 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -9.629 -1.206 -5.423 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -8.869 0.028 -6.458 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -6.823 -1.913 -7.643 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -6.386 -0.281 -7.083 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -5.537 -1.702 -6.431 1.00 0.00 H new ATOM 1255 N ILE A 80 -6.057 1.187 -2.308 1.00 0.00 N ATOM 1256 CA ILE A 80 -6.159 2.097 -1.176 1.00 0.00 C ATOM 1257 C ILE A 80 -4.983 3.068 -1.157 1.00 0.00 C ATOM 1258 O ILE A 80 -5.165 4.274 -0.990 1.00 0.00 O ATOM 1259 CB ILE A 80 -6.248 1.329 0.162 1.00 0.00 C ATOM 1260 CG1 ILE A 80 -6.995 2.166 1.204 1.00 0.00 C ATOM 1261 CG2 ILE A 80 -4.868 0.954 0.669 1.00 0.00 C ATOM 1262 CD1 ILE A 80 -6.085 3.011 2.072 1.00 0.00 C ATOM 0 H ILE A 80 -5.778 0.238 -2.059 1.00 0.00 H new ATOM 0 HA ILE A 80 -7.080 2.668 -1.295 1.00 0.00 H new ATOM 0 HB ILE A 80 -6.803 0.407 -0.010 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -7.704 2.818 0.693 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -7.577 1.501 1.842 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -4.961 0.415 1.612 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -4.371 0.319 -0.065 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -4.279 1.858 0.825 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -6.685 3.576 2.786 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -5.393 2.364 2.611 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -5.522 3.702 1.444 1.00 0.00 H new ATOM 1274 N GLY A 81 -3.775 2.539 -1.350 1.00 0.00 N ATOM 1275 CA GLY A 81 -2.594 3.382 -1.372 1.00 0.00 C ATOM 1276 C GLY A 81 -2.750 4.495 -2.380 1.00 0.00 C ATOM 1277 O GLY A 81 -2.557 5.668 -2.060 1.00 0.00 O ATOM 0 H GLY A 81 -3.596 1.545 -1.491 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -2.424 3.803 -0.381 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -1.718 2.782 -1.618 1.00 0.00 H new ATOM 1281 N GLY A 82 -3.134 4.126 -3.600 1.00 0.00 N ATOM 1282 CA GLY A 82 -3.347 5.124 -4.633 1.00 0.00 C ATOM 1283 C GLY A 82 -4.268 6.233 -4.152 1.00 0.00 C ATOM 1284 O GLY A 82 -4.080 7.399 -4.500 1.00 0.00 O ATOM 0 H GLY A 82 -3.300 3.162 -3.889 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -2.389 5.549 -4.933 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -3.776 4.650 -5.516 1.00 0.00 H new ATOM 1288 N LEU A 83 -5.257 5.872 -3.330 1.00 0.00 N ATOM 1289 CA LEU A 83 -6.184 6.858 -2.784 1.00 0.00 C ATOM 1290 C LEU A 83 -5.431 7.869 -1.941 1.00 0.00 C ATOM 1291 O LEU A 83 -5.671 9.070 -2.033 1.00 0.00 O ATOM 1292 CB LEU A 83 -7.258 6.192 -1.925 1.00 0.00 C ATOM 1293 CG LEU A 83 -7.821 4.893 -2.484 1.00 0.00 C ATOM 1294 CD1 LEU A 83 -8.959 4.390 -1.613 1.00 0.00 C ATOM 1295 CD2 LEU A 83 -8.280 5.089 -3.920 1.00 0.00 C ATOM 0 H LEU A 83 -5.433 4.913 -3.032 1.00 0.00 H new ATOM 0 HA LEU A 83 -6.667 7.359 -3.622 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -6.840 5.993 -0.938 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -8.079 6.896 -1.788 1.00 0.00 H new ATOM 0 HG LEU A 83 -7.033 4.140 -2.480 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -9.350 3.461 -2.027 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -8.592 4.211 -0.602 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -9.753 5.137 -1.584 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -8.680 4.151 -4.305 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -9.055 5.855 -3.953 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -7.435 5.402 -4.533 1.00 0.00 H new ATOM 1307 N ALA A 84 -4.515 7.374 -1.116 1.00 0.00 N ATOM 1308 CA ALA A 84 -3.725 8.247 -0.256 1.00 0.00 C ATOM 1309 C ALA A 84 -3.011 9.312 -1.072 1.00 0.00 C ATOM 1310 O ALA A 84 -2.821 10.441 -0.623 1.00 0.00 O ATOM 1311 CB ALA A 84 -2.697 7.441 0.513 1.00 0.00 C ATOM 0 H ALA A 84 -4.302 6.381 -1.025 1.00 0.00 H new ATOM 0 HA ALA A 84 -4.408 8.731 0.442 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -2.115 8.107 1.150 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -3.204 6.699 1.130 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -2.032 6.937 -0.188 1.00 0.00 H new ATOM 1317 N VAL A 85 -2.613 8.932 -2.271 1.00 0.00 N ATOM 1318 CA VAL A 85 -1.911 9.837 -3.164 1.00 0.00 C ATOM 1319 C VAL A 85 -2.884 10.703 -3.944 1.00 0.00 C ATOM 1320 O VAL A 85 -2.506 11.724 -4.518 1.00 0.00 O ATOM 1321 CB VAL A 85 -0.972 9.086 -4.138 1.00 0.00 C ATOM 1322 CG1 VAL A 85 0.435 9.628 -4.006 1.00 0.00 C ATOM 1323 CG2 VAL A 85 -0.980 7.585 -3.880 1.00 0.00 C ATOM 0 H VAL A 85 -2.764 7.998 -2.652 1.00 0.00 H new ATOM 0 HA VAL A 85 -1.294 10.478 -2.534 1.00 0.00 H new ATOM 0 HB VAL A 85 -1.336 9.249 -5.153 1.00 0.00 H new ATOM 0 HG11 VAL A 85 1.095 9.098 -4.693 1.00 0.00 H new ATOM 0 HG12 VAL A 85 0.439 10.691 -4.246 1.00 0.00 H new ATOM 0 HG13 VAL A 85 0.785 9.486 -2.984 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.309 7.091 -4.583 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -0.646 7.389 -2.861 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -1.991 7.199 -4.011 1.00 0.00 H new ATOM 1333 N ALA A 86 -4.137 10.281 -3.967 1.00 0.00 N ATOM 1334 CA ALA A 86 -5.172 10.999 -4.680 1.00 0.00 C ATOM 1335 C ALA A 86 -6.245 11.533 -3.734 1.00 0.00 C ATOM 1336 O ALA A 86 -7.322 11.935 -4.175 1.00 0.00 O ATOM 1337 CB ALA A 86 -5.793 10.071 -5.694 1.00 0.00 C ATOM 0 H ALA A 86 -4.461 9.437 -3.495 1.00 0.00 H new ATOM 0 HA ALA A 86 -4.721 11.858 -5.176 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -6.575 10.599 -6.239 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -5.029 9.732 -6.393 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -6.224 9.210 -5.183 1.00 0.00 H new ATOM 1343 N CYS A 87 -5.959 11.526 -2.437 1.00 0.00 N ATOM 1344 CA CYS A 87 -6.923 12.000 -1.453 1.00 0.00 C ATOM 1345 C CYS A 87 -6.251 12.427 -0.151 1.00 0.00 C ATOM 1346 O CYS A 87 -6.611 13.452 0.428 1.00 0.00 O ATOM 1347 CB CYS A 87 -7.958 10.911 -1.169 1.00 0.00 C ATOM 1348 SG CYS A 87 -9.653 11.524 -1.023 1.00 0.00 S ATOM 0 H CYS A 87 -5.075 11.200 -2.045 1.00 0.00 H new ATOM 0 HA CYS A 87 -7.415 12.877 -1.874 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -7.918 10.170 -1.967 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -7.687 10.399 -0.245 1.00 0.00 H new ATOM 0 HG CYS A 87 -9.970 11.629 0.233 1.00 0.00 H new ATOM 1354 N HIS A 88 -5.286 11.640 0.319 1.00 0.00 N ATOM 1355 CA HIS A 88 -4.598 11.968 1.569 1.00 0.00 C ATOM 1356 C HIS A 88 -3.598 13.102 1.372 1.00 0.00 C ATOM 1357 O HIS A 88 -3.003 13.242 0.303 1.00 0.00 O ATOM 1358 CB HIS A 88 -3.889 10.741 2.146 1.00 0.00 C ATOM 1359 CG HIS A 88 -4.741 9.945 3.086 1.00 0.00 C ATOM 1360 ND1 HIS A 88 -5.052 10.370 4.362 1.00 0.00 N ATOM 1361 CD2 HIS A 88 -5.352 8.746 2.933 1.00 0.00 C ATOM 1362 CE1 HIS A 88 -5.815 9.466 4.951 1.00 0.00 C ATOM 1363 NE2 HIS A 88 -6.012 8.472 4.105 1.00 0.00 N ATOM 0 H HIS A 88 -4.966 10.785 -0.136 1.00 0.00 H new ATOM 0 HA HIS A 88 -5.357 12.298 2.278 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -3.568 10.098 1.326 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -2.989 11.064 2.669 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -5.325 8.121 2.052 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -6.210 9.530 5.954 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -6.565 7.636 4.292 1.00 0.00 H new ATOM 1372 N GLU A 89 -3.422 13.910 2.414 1.00 0.00 N ATOM 1373 CA GLU A 89 -2.497 15.035 2.366 1.00 0.00 C ATOM 1374 C GLU A 89 -1.058 14.551 2.220 1.00 0.00 C ATOM 1375 O GLU A 89 -0.302 14.513 3.190 1.00 0.00 O ATOM 1376 CB GLU A 89 -2.635 15.889 3.628 1.00 0.00 C ATOM 1377 CG GLU A 89 -1.719 17.102 3.647 1.00 0.00 C ATOM 1378 CD GLU A 89 -1.942 17.980 4.862 1.00 0.00 C ATOM 1379 OE1 GLU A 89 -2.173 17.430 5.960 1.00 0.00 O ATOM 1380 OE2 GLU A 89 -1.884 19.220 4.717 1.00 0.00 O ATOM 0 H GLU A 89 -3.910 13.805 3.304 1.00 0.00 H new ATOM 0 HA GLU A 89 -2.747 15.642 1.496 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -3.668 16.223 3.719 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -2.423 15.270 4.500 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -0.681 16.770 3.629 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -1.881 17.690 2.744 1.00 0.00 H new ATOM 1387 N SER A 90 -0.691 14.182 0.999 1.00 0.00 N ATOM 1388 CA SER A 90 0.654 13.698 0.715 1.00 0.00 C ATOM 1389 C SER A 90 1.094 14.123 -0.682 1.00 0.00 C ATOM 1390 O SER A 90 2.152 14.728 -0.856 1.00 0.00 O ATOM 1391 CB SER A 90 0.703 12.175 0.833 1.00 0.00 C ATOM 1392 OG SER A 90 0.461 11.758 2.166 1.00 0.00 O ATOM 0 H SER A 90 -1.308 14.209 0.187 1.00 0.00 H new ATOM 0 HA SER A 90 1.336 14.135 1.444 1.00 0.00 H new ATOM 0 HB2 SER A 90 -0.040 11.732 0.170 1.00 0.00 H new ATOM 0 HB3 SER A 90 1.678 11.813 0.507 1.00 0.00 H new ATOM 0 HG SER A 90 0.285 10.794 2.180 1.00 0.00 H new ATOM 1398 N PHE A 91 0.269 13.800 -1.673 1.00 0.00 N ATOM 1399 CA PHE A 91 0.561 14.145 -3.058 1.00 0.00 C ATOM 1400 C PHE A 91 -0.436 15.175 -3.580 1.00 0.00 C ATOM 1401 O PHE A 91 -0.056 16.150 -4.227 1.00 0.00 O ATOM 1402 CB PHE A 91 0.528 12.891 -3.936 1.00 0.00 C ATOM 1403 CG PHE A 91 1.762 12.712 -4.774 1.00 0.00 C ATOM 1404 CD1 PHE A 91 2.980 12.419 -4.181 1.00 0.00 C ATOM 1405 CD2 PHE A 91 1.705 12.836 -6.153 1.00 0.00 C ATOM 1406 CE1 PHE A 91 4.117 12.253 -4.948 1.00 0.00 C ATOM 1407 CE2 PHE A 91 2.838 12.672 -6.924 1.00 0.00 C ATOM 1408 CZ PHE A 91 4.046 12.380 -6.322 1.00 0.00 C ATOM 0 H PHE A 91 -0.609 13.298 -1.541 1.00 0.00 H new ATOM 0 HA PHE A 91 1.560 14.579 -3.098 1.00 0.00 H new ATOM 0 HB2 PHE A 91 0.401 12.015 -3.300 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -0.342 12.939 -4.591 1.00 0.00 H new ATOM 0 HD1 PHE A 91 3.041 12.319 -3.107 1.00 0.00 H new ATOM 0 HD2 PHE A 91 0.763 13.064 -6.630 1.00 0.00 H new ATOM 0 HE1 PHE A 91 5.060 12.024 -4.474 1.00 0.00 H new ATOM 0 HE2 PHE A 91 2.780 12.772 -7.998 1.00 0.00 H new ATOM 0 HZ PHE A 91 4.933 12.251 -6.924 1.00 0.00 H new ATOM 1418 N VAL A 92 -1.714 14.950 -3.293 1.00 0.00 N ATOM 1419 CA VAL A 92 -2.769 15.856 -3.732 1.00 0.00 C ATOM 1420 C VAL A 92 -2.630 17.226 -3.079 1.00 0.00 C ATOM 1421 O VAL A 92 -3.057 18.236 -3.636 1.00 0.00 O ATOM 1422 CB VAL A 92 -4.163 15.289 -3.412 1.00 0.00 C ATOM 1423 CG1 VAL A 92 -4.500 14.140 -4.349 1.00 0.00 C ATOM 1424 CG2 VAL A 92 -4.239 14.842 -1.960 1.00 0.00 C ATOM 0 H VAL A 92 -2.044 14.147 -2.758 1.00 0.00 H new ATOM 0 HA VAL A 92 -2.664 15.961 -4.812 1.00 0.00 H new ATOM 0 HB VAL A 92 -4.899 16.079 -3.563 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -5.489 13.752 -4.108 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -4.491 14.496 -5.379 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -3.761 13.347 -4.233 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -5.233 14.444 -1.753 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -3.493 14.068 -1.778 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -4.046 15.693 -1.307 1.00 0.00 H new ATOM 1638 N THR B 4 -11.602 4.597 12.140 1.00 0.00 N ATOM 1639 CA THR B 4 -11.899 3.340 11.465 1.00 0.00 C ATOM 1640 C THR B 4 -10.666 2.453 11.389 1.00 0.00 C ATOM 1641 O THR B 4 -9.542 2.930 11.241 1.00 0.00 O ATOM 1642 CB THR B 4 -12.460 3.595 10.060 1.00 0.00 C ATOM 1643 OG1 THR B 4 -12.284 2.460 9.232 1.00 0.00 O ATOM 1644 CG2 THR B 4 -11.828 4.777 9.355 1.00 0.00 C ATOM 0 HA THR B 4 -12.656 2.820 12.052 1.00 0.00 H new ATOM 0 HB THR B 4 -13.516 3.813 10.217 1.00 0.00 H new ATOM 0 HG1 THR B 4 -12.169 2.748 8.302 1.00 0.00 H new ATOM 0 HG21 THR B 4 -12.276 4.894 8.368 1.00 0.00 H new ATOM 0 HG22 THR B 4 -11.996 5.682 9.939 1.00 0.00 H new ATOM 0 HG23 THR B 4 -10.756 4.607 9.249 1.00 0.00 H new ATOM 1652 N GLU B 5 -10.898 1.152 11.496 1.00 0.00 N ATOM 1653 CA GLU B 5 -9.833 0.161 11.444 1.00 0.00 C ATOM 1654 C GLU B 5 -8.859 0.461 10.308 1.00 0.00 C ATOM 1655 O GLU B 5 -7.645 0.329 10.465 1.00 0.00 O ATOM 1656 CB GLU B 5 -10.447 -1.222 11.270 1.00 0.00 C ATOM 1657 CG GLU B 5 -9.805 -2.291 12.140 1.00 0.00 C ATOM 1658 CD GLU B 5 -10.808 -2.999 13.030 1.00 0.00 C ATOM 1659 OE1 GLU B 5 -11.419 -2.328 13.888 1.00 0.00 O ATOM 1660 OE2 GLU B 5 -10.981 -4.226 12.869 1.00 0.00 O ATOM 0 H GLU B 5 -11.829 0.754 11.621 1.00 0.00 H new ATOM 0 HA GLU B 5 -9.270 0.196 12.377 1.00 0.00 H new ATOM 0 HB2 GLU B 5 -11.511 -1.169 11.501 1.00 0.00 H new ATOM 0 HB3 GLU B 5 -10.362 -1.518 10.224 1.00 0.00 H new ATOM 0 HG2 GLU B 5 -9.310 -3.024 11.503 1.00 0.00 H new ATOM 0 HG3 GLU B 5 -9.033 -1.834 12.760 1.00 0.00 H new ATOM 1667 N THR B 6 -9.401 0.877 9.170 1.00 0.00 N ATOM 1668 CA THR B 6 -8.584 1.212 8.012 1.00 0.00 C ATOM 1669 C THR B 6 -7.804 2.495 8.271 1.00 0.00 C ATOM 1670 O THR B 6 -6.650 2.626 7.866 1.00 0.00 O ATOM 1671 CB THR B 6 -9.467 1.375 6.774 1.00 0.00 C ATOM 1672 OG1 THR B 6 -10.541 0.453 6.799 1.00 0.00 O ATOM 1673 CG2 THR B 6 -8.719 1.172 5.476 1.00 0.00 C ATOM 0 H THR B 6 -10.404 0.990 9.025 1.00 0.00 H new ATOM 0 HA THR B 6 -7.877 0.401 7.836 1.00 0.00 H new ATOM 0 HB THR B 6 -9.828 2.403 6.810 1.00 0.00 H new ATOM 0 HG1 THR B 6 -10.500 -0.119 6.004 1.00 0.00 H new ATOM 0 HG21 THR B 6 -9.403 1.302 4.638 1.00 0.00 H new ATOM 0 HG22 THR B 6 -7.913 1.902 5.403 1.00 0.00 H new ATOM 0 HG23 THR B 6 -8.301 0.166 5.451 1.00 0.00 H new ATOM 1681 N GLU B 7 -8.445 3.436 8.959 1.00 0.00 N ATOM 1682 CA GLU B 7 -7.824 4.717 9.281 1.00 0.00 C ATOM 1683 C GLU B 7 -6.469 4.515 9.954 1.00 0.00 C ATOM 1684 O GLU B 7 -5.513 5.240 9.677 1.00 0.00 O ATOM 1685 CB GLU B 7 -8.744 5.537 10.193 1.00 0.00 C ATOM 1686 CG GLU B 7 -9.209 6.843 9.569 1.00 0.00 C ATOM 1687 CD GLU B 7 -8.590 8.059 10.228 1.00 0.00 C ATOM 1688 OE1 GLU B 7 -7.435 7.958 10.693 1.00 0.00 O ATOM 1689 OE2 GLU B 7 -9.259 9.112 10.281 1.00 0.00 O ATOM 0 H GLU B 7 -9.399 3.334 9.306 1.00 0.00 H new ATOM 0 HA GLU B 7 -7.666 5.260 8.349 1.00 0.00 H new ATOM 0 HB2 GLU B 7 -9.616 4.936 10.451 1.00 0.00 H new ATOM 0 HB3 GLU B 7 -8.220 5.754 11.124 1.00 0.00 H new ATOM 0 HG2 GLU B 7 -8.959 6.843 8.508 1.00 0.00 H new ATOM 0 HG3 GLU B 7 -10.295 6.909 9.641 1.00 0.00 H new ATOM 1696 N ARG B 8 -6.392 3.522 10.832 1.00 0.00 N ATOM 1697 CA ARG B 8 -5.151 3.224 11.534 1.00 0.00 C ATOM 1698 C ARG B 8 -4.185 2.473 10.623 1.00 0.00 C ATOM 1699 O ARG B 8 -2.969 2.545 10.799 1.00 0.00 O ATOM 1700 CB ARG B 8 -5.436 2.399 12.791 1.00 0.00 C ATOM 1701 CG ARG B 8 -6.238 3.152 13.840 1.00 0.00 C ATOM 1702 CD ARG B 8 -6.845 2.206 14.864 1.00 0.00 C ATOM 1703 NE ARG B 8 -7.367 2.922 16.026 1.00 0.00 N ATOM 1704 CZ ARG B 8 -7.634 2.342 17.193 1.00 0.00 C ATOM 1705 NH1 ARG B 8 -7.435 1.039 17.357 1.00 0.00 N ATOM 1706 NH2 ARG B 8 -8.104 3.065 18.200 1.00 0.00 N ATOM 0 H ARG B 8 -7.172 2.911 11.074 1.00 0.00 H new ATOM 0 HA ARG B 8 -4.689 4.167 11.828 1.00 0.00 H new ATOM 0 HB2 ARG B 8 -5.978 1.497 12.509 1.00 0.00 H new ATOM 0 HB3 ARG B 8 -4.490 2.079 13.228 1.00 0.00 H new ATOM 0 HG2 ARG B 8 -5.593 3.871 14.345 1.00 0.00 H new ATOM 0 HG3 ARG B 8 -7.031 3.721 13.354 1.00 0.00 H new ATOM 0 HD2 ARG B 8 -7.648 1.635 14.399 1.00 0.00 H new ATOM 0 HD3 ARG B 8 -6.090 1.489 15.188 1.00 0.00 H new ATOM 0 HE ARG B 8 -7.536 3.924 15.937 1.00 0.00 H new ATOM 0 HH11 ARG B 8 -7.075 0.477 16.586 1.00 0.00 H new ATOM 0 HH12 ARG B 8 -7.642 0.600 18.254 1.00 0.00 H new ATOM 0 HH21 ARG B 8 -8.261 4.066 18.080 1.00 0.00 H new ATOM 0 HH22 ARG B 8 -8.309 2.621 19.095 1.00 0.00 H new ATOM 1719 N CYS B 9 -4.735 1.751 9.651 1.00 0.00 N ATOM 1720 CA CYS B 9 -3.924 0.984 8.712 1.00 0.00 C ATOM 1721 C CYS B 9 -3.205 1.901 7.730 1.00 0.00 C ATOM 1722 O CYS B 9 -1.991 1.806 7.552 1.00 0.00 O ATOM 1723 CB CYS B 9 -4.797 -0.014 7.949 1.00 0.00 C ATOM 1724 SG CYS B 9 -5.637 -1.218 9.004 1.00 0.00 S ATOM 0 H CYS B 9 -5.740 1.681 9.493 1.00 0.00 H new ATOM 0 HA CYS B 9 -3.173 0.439 9.285 1.00 0.00 H new ATOM 0 HB2 CYS B 9 -5.545 0.536 7.378 1.00 0.00 H new ATOM 0 HB3 CYS B 9 -4.176 -0.548 7.230 1.00 0.00 H new ATOM 0 HG CYS B 9 -6.742 -0.703 9.455 1.00 0.00 H new ATOM 1730 N ILE B 10 -3.960 2.786 7.092 1.00 0.00 N ATOM 1731 CA ILE B 10 -3.400 3.715 6.126 1.00 0.00 C ATOM 1732 C ILE B 10 -2.223 4.494 6.710 1.00 0.00 C ATOM 1733 O ILE B 10 -1.128 4.483 6.156 1.00 0.00 O ATOM 1734 CB ILE B 10 -4.474 4.712 5.638 1.00 0.00 C ATOM 1735 CG1 ILE B 10 -5.642 3.966 4.996 1.00 0.00 C ATOM 1736 CG2 ILE B 10 -3.886 5.708 4.653 1.00 0.00 C ATOM 1737 CD1 ILE B 10 -6.948 4.138 5.733 1.00 0.00 C ATOM 0 H ILE B 10 -4.967 2.878 7.229 1.00 0.00 H new ATOM 0 HA ILE B 10 -3.043 3.121 5.284 1.00 0.00 H new ATOM 0 HB ILE B 10 -4.840 5.263 6.505 1.00 0.00 H new ATOM 0 HG12 ILE B 10 -5.765 4.314 3.970 1.00 0.00 H new ATOM 0 HG13 ILE B 10 -5.400 2.904 4.945 1.00 0.00 H new ATOM 0 HG21 ILE B 10 -4.664 6.398 4.325 1.00 0.00 H new ATOM 0 HG22 ILE B 10 -3.084 6.267 5.136 1.00 0.00 H new ATOM 0 HG23 ILE B 10 -3.488 5.174 3.790 1.00 0.00 H new ATOM 0 HD11 ILE B 10 -7.732 3.581 5.220 1.00 0.00 H new ATOM 0 HD12 ILE B 10 -6.843 3.763 6.751 1.00 0.00 H new ATOM 0 HD13 ILE B 10 -7.214 5.195 5.761 1.00 0.00 H new ATOM 1749 N GLU B 11 -2.463 5.176 7.824 1.00 0.00 N ATOM 1750 CA GLU B 11 -1.431 5.982 8.474 1.00 0.00 C ATOM 1751 C GLU B 11 -0.149 5.193 8.728 1.00 0.00 C ATOM 1752 O GLU B 11 0.935 5.770 8.800 1.00 0.00 O ATOM 1753 CB GLU B 11 -1.960 6.555 9.790 1.00 0.00 C ATOM 1754 CG GLU B 11 -2.006 8.074 9.807 1.00 0.00 C ATOM 1755 CD GLU B 11 -1.451 8.660 11.091 1.00 0.00 C ATOM 1756 OE1 GLU B 11 -0.228 8.904 11.152 1.00 0.00 O ATOM 1757 OE2 GLU B 11 -2.241 8.873 12.035 1.00 0.00 O ATOM 0 H GLU B 11 -3.366 5.188 8.299 1.00 0.00 H new ATOM 0 HA GLU B 11 -1.183 6.795 7.792 1.00 0.00 H new ATOM 0 HB2 GLU B 11 -2.962 6.166 9.971 1.00 0.00 H new ATOM 0 HB3 GLU B 11 -1.330 6.208 10.609 1.00 0.00 H new ATOM 0 HG2 GLU B 11 -1.438 8.460 8.961 1.00 0.00 H new ATOM 0 HG3 GLU B 11 -3.037 8.404 9.677 1.00 0.00 H new ATOM 1764 N SER B 12 -0.274 3.884 8.885 1.00 0.00 N ATOM 1765 CA SER B 12 0.885 3.042 9.153 1.00 0.00 C ATOM 1766 C SER B 12 1.861 3.003 7.975 1.00 0.00 C ATOM 1767 O SER B 12 3.047 3.284 8.141 1.00 0.00 O ATOM 1768 CB SER B 12 0.438 1.621 9.499 1.00 0.00 C ATOM 1769 OG SER B 12 -0.951 1.573 9.776 1.00 0.00 O ATOM 0 H SER B 12 -1.161 3.383 8.832 1.00 0.00 H new ATOM 0 HA SER B 12 1.410 3.482 10.001 1.00 0.00 H new ATOM 0 HB2 SER B 12 0.669 0.952 8.670 1.00 0.00 H new ATOM 0 HB3 SER B 12 0.996 1.262 10.363 1.00 0.00 H new ATOM 0 HG SER B 12 -1.181 2.277 10.418 1.00 0.00 H new ATOM 1775 N LEU B 13 1.369 2.626 6.798 1.00 0.00 N ATOM 1776 CA LEU B 13 2.211 2.514 5.612 1.00 0.00 C ATOM 1777 C LEU B 13 2.662 3.870 5.061 1.00 0.00 C ATOM 1778 O LEU B 13 3.713 3.975 4.436 1.00 0.00 O ATOM 1779 CB LEU B 13 1.471 1.722 4.545 1.00 0.00 C ATOM 1780 CG LEU B 13 1.787 0.229 4.538 1.00 0.00 C ATOM 1781 CD1 LEU B 13 3.235 0.001 4.152 1.00 0.00 C ATOM 1782 CD2 LEU B 13 1.515 -0.401 5.894 1.00 0.00 C ATOM 0 H LEU B 13 0.389 2.392 6.641 1.00 0.00 H new ATOM 0 HA LEU B 13 3.121 1.992 5.906 1.00 0.00 H new ATOM 0 HB2 LEU B 13 0.399 1.854 4.690 1.00 0.00 H new ATOM 0 HB3 LEU B 13 1.714 2.137 3.567 1.00 0.00 H new ATOM 0 HG LEU B 13 1.136 -0.244 3.803 1.00 0.00 H new ATOM 0 HD11 LEU B 13 3.447 -1.068 4.151 1.00 0.00 H new ATOM 0 HD12 LEU B 13 3.415 0.408 3.157 1.00 0.00 H new ATOM 0 HD13 LEU B 13 3.886 0.499 4.870 1.00 0.00 H new ATOM 0 HD21 LEU B 13 1.750 -1.465 5.855 1.00 0.00 H new ATOM 0 HD22 LEU B 13 2.136 0.080 6.650 1.00 0.00 H new ATOM 0 HD23 LEU B 13 0.464 -0.271 6.151 1.00 0.00 H new ATOM 1794 N ILE B 14 1.882 4.909 5.282 1.00 0.00 N ATOM 1795 CA ILE B 14 2.247 6.224 4.801 1.00 0.00 C ATOM 1796 C ILE B 14 3.466 6.741 5.524 1.00 0.00 C ATOM 1797 O ILE B 14 4.299 7.439 4.958 1.00 0.00 O ATOM 1798 CB ILE B 14 1.153 7.249 5.074 1.00 0.00 C ATOM 1799 CG1 ILE B 14 -0.217 6.722 4.714 1.00 0.00 C ATOM 1800 CG2 ILE B 14 1.451 8.527 4.334 1.00 0.00 C ATOM 1801 CD1 ILE B 14 -1.290 7.405 5.512 1.00 0.00 C ATOM 0 H ILE B 14 0.997 4.868 5.788 1.00 0.00 H new ATOM 0 HA ILE B 14 2.422 6.109 3.731 1.00 0.00 H new ATOM 0 HB ILE B 14 1.142 7.453 6.145 1.00 0.00 H new ATOM 0 HG12 ILE B 14 -0.400 6.874 3.650 1.00 0.00 H new ATOM 0 HG13 ILE B 14 -0.255 5.648 4.894 1.00 0.00 H new ATOM 0 HG21 ILE B 14 0.665 9.255 4.534 1.00 0.00 H new ATOM 0 HG22 ILE B 14 2.409 8.926 4.668 1.00 0.00 H new ATOM 0 HG23 ILE B 14 1.496 8.326 3.264 1.00 0.00 H new ATOM 0 HD11 ILE B 14 -2.264 7.004 5.230 1.00 0.00 H new ATOM 0 HD12 ILE B 14 -1.120 7.231 6.574 1.00 0.00 H new ATOM 0 HD13 ILE B 14 -1.267 8.476 5.311 1.00 0.00 H new ATOM 1813 N ALA B 15 3.513 6.429 6.801 1.00 0.00 N ATOM 1814 CA ALA B 15 4.561 6.896 7.675 1.00 0.00 C ATOM 1815 C ALA B 15 5.869 6.160 7.454 1.00 0.00 C ATOM 1816 O ALA B 15 6.942 6.755 7.557 1.00 0.00 O ATOM 1817 CB ALA B 15 4.066 6.801 9.099 1.00 0.00 C ATOM 0 H ALA B 15 2.820 5.840 7.263 1.00 0.00 H new ATOM 0 HA ALA B 15 4.790 7.937 7.447 1.00 0.00 H new ATOM 0 HB1 ALA B 15 4.844 7.150 9.779 1.00 0.00 H new ATOM 0 HB2 ALA B 15 3.177 7.420 9.217 1.00 0.00 H new ATOM 0 HB3 ALA B 15 3.820 5.765 9.330 1.00 0.00 H new ATOM 1823 N VAL B 16 5.790 4.884 7.093 1.00 0.00 N ATOM 1824 CA VAL B 16 6.988 4.124 6.799 1.00 0.00 C ATOM 1825 C VAL B 16 7.797 4.902 5.772 1.00 0.00 C ATOM 1826 O VAL B 16 9.025 4.966 5.825 1.00 0.00 O ATOM 1827 CB VAL B 16 6.636 2.747 6.216 1.00 0.00 C ATOM 1828 CG1 VAL B 16 5.748 1.967 7.162 1.00 0.00 C ATOM 1829 CG2 VAL B 16 5.941 2.916 4.885 1.00 0.00 C ATOM 0 H VAL B 16 4.918 4.364 6.999 1.00 0.00 H new ATOM 0 HA VAL B 16 7.554 3.973 7.718 1.00 0.00 H new ATOM 0 HB VAL B 16 7.562 2.189 6.076 1.00 0.00 H new ATOM 0 HG11 VAL B 16 5.514 0.996 6.725 1.00 0.00 H new ATOM 0 HG12 VAL B 16 6.265 1.822 8.111 1.00 0.00 H new ATOM 0 HG13 VAL B 16 4.824 2.520 7.333 1.00 0.00 H new ATOM 0 HG21 VAL B 16 5.694 1.936 4.477 1.00 0.00 H new ATOM 0 HG22 VAL B 16 5.026 3.493 5.023 1.00 0.00 H new ATOM 0 HG23 VAL B 16 6.601 3.441 4.194 1.00 0.00 H new ATOM 1839 N PHE B 17 7.058 5.508 4.843 1.00 0.00 N ATOM 1840 CA PHE B 17 7.647 6.316 3.785 1.00 0.00 C ATOM 1841 C PHE B 17 8.054 7.691 4.324 1.00 0.00 C ATOM 1842 O PHE B 17 9.221 8.075 4.242 1.00 0.00 O ATOM 1843 CB PHE B 17 6.643 6.453 2.630 1.00 0.00 C ATOM 1844 CG PHE B 17 6.856 7.655 1.751 1.00 0.00 C ATOM 1845 CD1 PHE B 17 7.685 7.584 0.644 1.00 0.00 C ATOM 1846 CD2 PHE B 17 6.217 8.852 2.029 1.00 0.00 C ATOM 1847 CE1 PHE B 17 7.874 8.686 -0.168 1.00 0.00 C ATOM 1848 CE2 PHE B 17 6.403 9.956 1.220 1.00 0.00 C ATOM 1849 CZ PHE B 17 7.231 9.874 0.120 1.00 0.00 C ATOM 0 H PHE B 17 6.040 5.451 4.806 1.00 0.00 H new ATOM 0 HA PHE B 17 8.547 5.826 3.414 1.00 0.00 H new ATOM 0 HB2 PHE B 17 6.694 5.555 2.014 1.00 0.00 H new ATOM 0 HB3 PHE B 17 5.636 6.497 3.045 1.00 0.00 H new ATOM 0 HD1 PHE B 17 8.189 6.657 0.413 1.00 0.00 H new ATOM 0 HD2 PHE B 17 5.566 8.923 2.888 1.00 0.00 H new ATOM 0 HE1 PHE B 17 8.524 8.618 -1.028 1.00 0.00 H new ATOM 0 HE2 PHE B 17 5.900 10.884 1.449 1.00 0.00 H new ATOM 0 HZ PHE B 17 7.376 10.736 -0.514 1.00 0.00 H new ATOM 1859 N GLN B 18 7.085 8.427 4.874 1.00 0.00 N ATOM 1860 CA GLN B 18 7.341 9.764 5.421 1.00 0.00 C ATOM 1861 C GLN B 18 8.546 9.774 6.351 1.00 0.00 C ATOM 1862 O GLN B 18 9.287 10.754 6.404 1.00 0.00 O ATOM 1863 CB GLN B 18 6.127 10.276 6.204 1.00 0.00 C ATOM 1864 CG GLN B 18 4.794 10.021 5.528 1.00 0.00 C ATOM 1865 CD GLN B 18 4.377 11.157 4.627 1.00 0.00 C ATOM 1866 OE1 GLN B 18 5.170 11.392 3.592 1.00 0.00 O flip ATOM 1867 NE2 GLN B 18 3.360 11.812 4.854 1.00 0.00 N flip ATOM 0 H GLN B 18 6.115 8.121 4.953 1.00 0.00 H new ATOM 0 HA GLN B 18 7.540 10.414 4.569 1.00 0.00 H new ATOM 0 HB2 GLN B 18 6.118 9.805 7.187 1.00 0.00 H new ATOM 0 HB3 GLN B 18 6.240 11.348 6.366 1.00 0.00 H new ATOM 0 HG2 GLN B 18 4.856 9.102 4.944 1.00 0.00 H new ATOM 0 HG3 GLN B 18 4.029 9.865 6.288 1.00 0.00 H new ATOM 0 HE21 GLN B 18 2.782 11.592 5.665 1.00 0.00 H new ATOM 0 HE22 GLN B 18 3.095 12.575 4.231 1.00 0.00 H new ATOM 1876 N LYS B 19 8.729 8.697 7.104 1.00 0.00 N ATOM 1877 CA LYS B 19 9.838 8.619 8.045 1.00 0.00 C ATOM 1878 C LYS B 19 11.168 8.917 7.357 1.00 0.00 C ATOM 1879 O LYS B 19 11.920 9.787 7.796 1.00 0.00 O ATOM 1880 CB LYS B 19 9.883 7.228 8.680 1.00 0.00 C ATOM 1881 CG LYS B 19 10.563 7.195 10.039 1.00 0.00 C ATOM 1882 CD LYS B 19 9.670 7.776 11.122 1.00 0.00 C ATOM 1883 CE LYS B 19 8.508 6.850 11.445 1.00 0.00 C ATOM 1884 NZ LYS B 19 8.340 6.660 12.911 1.00 0.00 N ATOM 0 H LYS B 19 8.129 7.872 7.082 1.00 0.00 H new ATOM 0 HA LYS B 19 9.680 9.370 8.819 1.00 0.00 H new ATOM 0 HB2 LYS B 19 8.865 6.854 8.785 1.00 0.00 H new ATOM 0 HB3 LYS B 19 10.405 6.548 8.007 1.00 0.00 H new ATOM 0 HG2 LYS B 19 10.822 6.167 10.292 1.00 0.00 H new ATOM 0 HG3 LYS B 19 11.496 7.757 9.994 1.00 0.00 H new ATOM 0 HD2 LYS B 19 10.257 7.952 12.023 1.00 0.00 H new ATOM 0 HD3 LYS B 19 9.286 8.743 10.798 1.00 0.00 H new ATOM 0 HE2 LYS B 19 7.590 7.260 11.025 1.00 0.00 H new ATOM 0 HE3 LYS B 19 8.672 5.883 10.970 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 7.538 6.022 13.089 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 9.207 6.245 13.309 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 8.158 7.579 13.362 1.00 0.00 H new ATOM 1898 N TYR B 20 11.438 8.215 6.263 1.00 0.00 N ATOM 1899 CA TYR B 20 12.658 8.434 5.501 1.00 0.00 C ATOM 1900 C TYR B 20 12.494 9.634 4.584 1.00 0.00 C ATOM 1901 O TYR B 20 13.354 10.512 4.505 1.00 0.00 O ATOM 1902 CB TYR B 20 13.031 7.182 4.708 1.00 0.00 C ATOM 1903 CG TYR B 20 14.094 6.349 5.387 1.00 0.00 C ATOM 1904 CD1 TYR B 20 13.795 5.589 6.509 1.00 0.00 C ATOM 1905 CD2 TYR B 20 15.398 6.330 4.911 1.00 0.00 C ATOM 1906 CE1 TYR B 20 14.764 4.830 7.138 1.00 0.00 C ATOM 1907 CE2 TYR B 20 16.373 5.574 5.533 1.00 0.00 C ATOM 1908 CZ TYR B 20 16.050 4.825 6.646 1.00 0.00 C ATOM 1909 OH TYR B 20 17.018 4.072 7.269 1.00 0.00 O ATOM 0 H TYR B 20 10.828 7.490 5.885 1.00 0.00 H new ATOM 0 HA TYR B 20 13.472 8.642 6.195 1.00 0.00 H new ATOM 0 HB2 TYR B 20 12.139 6.573 4.560 1.00 0.00 H new ATOM 0 HB3 TYR B 20 13.384 7.476 3.719 1.00 0.00 H new ATOM 0 HD1 TYR B 20 12.787 5.591 6.898 1.00 0.00 H new ATOM 0 HD2 TYR B 20 15.654 6.916 4.041 1.00 0.00 H new ATOM 0 HE1 TYR B 20 14.514 4.244 8.010 1.00 0.00 H new ATOM 0 HE2 TYR B 20 17.383 5.569 5.150 1.00 0.00 H new ATOM 0 HH TYR B 20 16.605 3.287 7.684 1.00 0.00 H new ATOM 1919 N ALA B 21 11.366 9.638 3.887 1.00 0.00 N ATOM 1920 CA ALA B 21 11.020 10.689 2.946 1.00 0.00 C ATOM 1921 C ALA B 21 11.012 12.065 3.607 1.00 0.00 C ATOM 1922 O ALA B 21 11.126 13.088 2.932 1.00 0.00 O ATOM 1923 CB ALA B 21 9.663 10.369 2.337 1.00 0.00 C ATOM 0 H ALA B 21 10.661 8.905 3.961 1.00 0.00 H new ATOM 0 HA ALA B 21 11.778 10.726 2.163 1.00 0.00 H new ATOM 0 HB1 ALA B 21 9.389 11.150 1.628 1.00 0.00 H new ATOM 0 HB2 ALA B 21 9.713 9.411 1.820 1.00 0.00 H new ATOM 0 HB3 ALA B 21 8.913 10.317 3.126 1.00 0.00 H new ATOM 1929 N GLY B 22 10.881 12.087 4.930 1.00 0.00 N ATOM 1930 CA GLY B 22 10.864 13.346 5.650 1.00 0.00 C ATOM 1931 C GLY B 22 12.221 14.025 5.656 1.00 0.00 C ATOM 1932 O GLY B 22 13.234 13.403 5.339 1.00 0.00 O ATOM 0 H GLY B 22 10.787 11.257 5.515 1.00 0.00 H new ATOM 0 HA2 GLY B 22 10.129 14.011 5.196 1.00 0.00 H new ATOM 0 HA3 GLY B 22 10.544 13.170 6.677 1.00 0.00 H new ATOM 2006 N VAL B 28 8.019 16.263 -1.174 1.00 0.00 N ATOM 2007 CA VAL B 28 7.409 15.183 -0.409 1.00 0.00 C ATOM 2008 C VAL B 28 7.685 13.827 -1.053 1.00 0.00 C ATOM 2009 O VAL B 28 6.764 13.071 -1.359 1.00 0.00 O ATOM 2010 CB VAL B 28 5.887 15.379 -0.279 1.00 0.00 C ATOM 2011 CG1 VAL B 28 5.575 16.616 0.548 1.00 0.00 C ATOM 2012 CG2 VAL B 28 5.243 15.470 -1.654 1.00 0.00 C ATOM 0 HA VAL B 28 7.857 15.206 0.584 1.00 0.00 H new ATOM 0 HB VAL B 28 5.470 14.514 0.236 1.00 0.00 H new ATOM 0 HG11 VAL B 28 4.495 16.737 0.628 1.00 0.00 H new ATOM 0 HG12 VAL B 28 6.003 16.505 1.544 1.00 0.00 H new ATOM 0 HG13 VAL B 28 6.004 17.494 0.065 1.00 0.00 H new ATOM 0 HG21 VAL B 28 4.167 15.608 -1.544 1.00 0.00 H new ATOM 0 HG22 VAL B 28 5.664 16.316 -2.198 1.00 0.00 H new ATOM 0 HG23 VAL B 28 5.436 14.551 -2.208 1.00 0.00 H new ATOM 2022 N THR B 29 8.963 13.527 -1.252 1.00 0.00 N ATOM 2023 CA THR B 29 9.369 12.265 -1.854 1.00 0.00 C ATOM 2024 C THR B 29 10.509 11.635 -1.070 1.00 0.00 C ATOM 2025 O THR B 29 11.061 12.237 -0.149 1.00 0.00 O ATOM 2026 CB THR B 29 9.790 12.469 -3.306 1.00 0.00 C ATOM 2027 OG1 THR B 29 10.695 13.552 -3.422 1.00 0.00 O ATOM 2028 CG2 THR B 29 8.623 12.737 -4.230 1.00 0.00 C ATOM 0 H THR B 29 9.737 14.143 -1.004 1.00 0.00 H new ATOM 0 HA THR B 29 8.512 11.592 -1.828 1.00 0.00 H new ATOM 0 HB THR B 29 10.263 11.534 -3.606 1.00 0.00 H new ATOM 0 HG1 THR B 29 10.592 13.972 -4.302 1.00 0.00 H new ATOM 0 HG21 THR B 29 8.989 12.873 -5.248 1.00 0.00 H new ATOM 0 HG22 THR B 29 7.935 11.892 -4.202 1.00 0.00 H new ATOM 0 HG23 THR B 29 8.103 13.639 -3.907 1.00 0.00 H new ATOM 2036 N LEU B 30 10.849 10.416 -1.449 1.00 0.00 N ATOM 2037 CA LEU B 30 11.921 9.675 -0.796 1.00 0.00 C ATOM 2038 C LEU B 30 13.086 9.447 -1.765 1.00 0.00 C ATOM 2039 O LEU B 30 13.374 10.302 -2.599 1.00 0.00 O ATOM 2040 CB LEU B 30 11.377 8.342 -0.268 1.00 0.00 C ATOM 2041 CG LEU B 30 11.811 7.974 1.152 1.00 0.00 C ATOM 2042 CD1 LEU B 30 11.382 6.555 1.486 1.00 0.00 C ATOM 2043 CD2 LEU B 30 13.315 8.137 1.324 1.00 0.00 C ATOM 0 H LEU B 30 10.396 9.912 -2.212 1.00 0.00 H new ATOM 0 HA LEU B 30 12.298 10.257 0.045 1.00 0.00 H new ATOM 0 HB2 LEU B 30 10.288 8.375 -0.300 1.00 0.00 H new ATOM 0 HB3 LEU B 30 11.692 7.547 -0.944 1.00 0.00 H new ATOM 0 HG LEU B 30 11.320 8.657 1.845 1.00 0.00 H new ATOM 0 HD11 LEU B 30 11.698 6.308 2.500 1.00 0.00 H new ATOM 0 HD12 LEU B 30 10.297 6.477 1.415 1.00 0.00 H new ATOM 0 HD13 LEU B 30 11.843 5.861 0.783 1.00 0.00 H new ATOM 0 HD21 LEU B 30 13.596 7.869 2.342 1.00 0.00 H new ATOM 0 HD22 LEU B 30 13.834 7.486 0.621 1.00 0.00 H new ATOM 0 HD23 LEU B 30 13.593 9.173 1.132 1.00 0.00 H new ATOM 2055 N SER B 31 13.748 8.297 -1.659 1.00 0.00 N ATOM 2056 CA SER B 31 14.865 7.970 -2.531 1.00 0.00 C ATOM 2057 C SER B 31 15.109 6.467 -2.519 1.00 0.00 C ATOM 2058 O SER B 31 15.049 5.829 -1.467 1.00 0.00 O ATOM 2059 CB SER B 31 16.128 8.717 -2.094 1.00 0.00 C ATOM 2060 OG SER B 31 15.933 9.367 -0.849 1.00 0.00 O ATOM 0 H SER B 31 13.526 7.575 -0.973 1.00 0.00 H new ATOM 0 HA SER B 31 14.618 8.282 -3.546 1.00 0.00 H new ATOM 0 HB2 SER B 31 16.959 8.017 -2.015 1.00 0.00 H new ATOM 0 HB3 SER B 31 16.400 9.451 -2.852 1.00 0.00 H new ATOM 0 HG SER B 31 16.755 9.835 -0.592 1.00 0.00 H new ATOM 2066 N LYS B 32 15.372 5.901 -3.690 1.00 0.00 N ATOM 2067 CA LYS B 32 15.611 4.467 -3.807 1.00 0.00 C ATOM 2068 C LYS B 32 16.644 3.997 -2.782 1.00 0.00 C ATOM 2069 O LYS B 32 16.488 2.941 -2.168 1.00 0.00 O ATOM 2070 CB LYS B 32 16.085 4.125 -5.221 1.00 0.00 C ATOM 2071 CG LYS B 32 17.265 4.964 -5.687 1.00 0.00 C ATOM 2072 CD LYS B 32 18.567 4.180 -5.624 1.00 0.00 C ATOM 2073 CE LYS B 32 18.624 3.103 -6.696 1.00 0.00 C ATOM 2074 NZ LYS B 32 18.458 1.739 -6.122 1.00 0.00 N ATOM 0 H LYS B 32 15.425 6.412 -4.571 1.00 0.00 H new ATOM 0 HA LYS B 32 14.672 3.950 -3.609 1.00 0.00 H new ATOM 0 HB2 LYS B 32 16.362 3.071 -5.257 1.00 0.00 H new ATOM 0 HB3 LYS B 32 15.256 4.261 -5.916 1.00 0.00 H new ATOM 0 HG2 LYS B 32 17.092 5.302 -6.709 1.00 0.00 H new ATOM 0 HG3 LYS B 32 17.346 5.856 -5.066 1.00 0.00 H new ATOM 0 HD2 LYS B 32 19.409 4.861 -5.747 1.00 0.00 H new ATOM 0 HD3 LYS B 32 18.669 3.721 -4.641 1.00 0.00 H new ATOM 0 HE2 LYS B 32 17.843 3.284 -7.434 1.00 0.00 H new ATOM 0 HE3 LYS B 32 19.578 3.163 -7.220 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 19.381 1.262 -6.089 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 18.071 1.812 -5.159 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 17.805 1.189 -6.716 1.00 0.00 H new ATOM 2088 N THR B 33 17.697 4.790 -2.602 1.00 0.00 N ATOM 2089 CA THR B 33 18.753 4.466 -1.658 1.00 0.00 C ATOM 2090 C THR B 33 18.267 4.636 -0.218 1.00 0.00 C ATOM 2091 O THR B 33 18.505 3.778 0.626 1.00 0.00 O ATOM 2092 CB THR B 33 19.978 5.346 -1.928 1.00 0.00 C ATOM 2093 OG1 THR B 33 20.852 4.717 -2.848 1.00 0.00 O ATOM 2094 CG2 THR B 33 20.783 5.675 -0.689 1.00 0.00 C ATOM 0 H THR B 33 17.838 5.667 -3.103 1.00 0.00 H new ATOM 0 HA THR B 33 19.035 3.422 -1.791 1.00 0.00 H new ATOM 0 HB THR B 33 19.573 6.275 -2.328 1.00 0.00 H new ATOM 0 HG1 THR B 33 21.627 5.294 -3.010 1.00 0.00 H new ATOM 0 HG21 THR B 33 21.633 6.301 -0.963 1.00 0.00 H new ATOM 0 HG22 THR B 33 20.153 6.209 0.023 1.00 0.00 H new ATOM 0 HG23 THR B 33 21.143 4.753 -0.234 1.00 0.00 H new ATOM 2102 N GLU B 34 17.579 5.738 0.066 1.00 0.00 N ATOM 2103 CA GLU B 34 17.072 5.971 1.413 1.00 0.00 C ATOM 2104 C GLU B 34 16.166 4.820 1.834 1.00 0.00 C ATOM 2105 O GLU B 34 16.066 4.486 3.014 1.00 0.00 O ATOM 2106 CB GLU B 34 16.320 7.299 1.487 1.00 0.00 C ATOM 2107 CG GLU B 34 17.158 8.429 2.057 1.00 0.00 C ATOM 2108 CD GLU B 34 16.317 9.513 2.702 1.00 0.00 C ATOM 2109 OE1 GLU B 34 15.508 10.140 1.986 1.00 0.00 O ATOM 2110 OE2 GLU B 34 16.467 9.735 3.922 1.00 0.00 O ATOM 0 H GLU B 34 17.362 6.473 -0.607 1.00 0.00 H new ATOM 0 HA GLU B 34 17.918 6.023 2.099 1.00 0.00 H new ATOM 0 HB2 GLU B 34 15.982 7.574 0.488 1.00 0.00 H new ATOM 0 HB3 GLU B 34 15.429 7.171 2.101 1.00 0.00 H new ATOM 0 HG2 GLU B 34 17.851 8.025 2.795 1.00 0.00 H new ATOM 0 HG3 GLU B 34 17.760 8.867 1.261 1.00 0.00 H new ATOM 2117 N PHE B 35 15.528 4.200 0.846 1.00 0.00 N ATOM 2118 CA PHE B 35 14.650 3.065 1.087 1.00 0.00 C ATOM 2119 C PHE B 35 15.468 1.871 1.567 1.00 0.00 C ATOM 2120 O PHE B 35 15.004 1.059 2.366 1.00 0.00 O ATOM 2121 CB PHE B 35 13.908 2.702 -0.202 1.00 0.00 C ATOM 2122 CG PHE B 35 12.507 2.207 0.009 1.00 0.00 C ATOM 2123 CD1 PHE B 35 12.190 1.390 1.083 1.00 0.00 C ATOM 2124 CD2 PHE B 35 11.506 2.557 -0.879 1.00 0.00 C ATOM 2125 CE1 PHE B 35 10.900 0.933 1.265 1.00 0.00 C ATOM 2126 CE2 PHE B 35 10.215 2.103 -0.703 1.00 0.00 C ATOM 2127 CZ PHE B 35 9.910 1.291 0.371 1.00 0.00 C ATOM 0 H PHE B 35 15.605 4.469 -0.135 1.00 0.00 H new ATOM 0 HA PHE B 35 13.924 3.331 1.855 1.00 0.00 H new ATOM 0 HB2 PHE B 35 13.877 3.579 -0.849 1.00 0.00 H new ATOM 0 HB3 PHE B 35 14.476 1.936 -0.730 1.00 0.00 H new ATOM 0 HD1 PHE B 35 12.961 1.108 1.785 1.00 0.00 H new ATOM 0 HD2 PHE B 35 11.738 3.193 -1.720 1.00 0.00 H new ATOM 0 HE1 PHE B 35 10.665 0.296 2.105 1.00 0.00 H new ATOM 0 HE2 PHE B 35 9.443 2.383 -1.405 1.00 0.00 H new ATOM 0 HZ PHE B 35 8.900 0.937 0.512 1.00 0.00 H new ATOM 2137 N LEU B 36 16.695 1.780 1.065 1.00 0.00 N ATOM 2138 CA LEU B 36 17.601 0.694 1.422 1.00 0.00 C ATOM 2139 C LEU B 36 17.709 0.535 2.921 1.00 0.00 C ATOM 2140 O LEU B 36 17.432 -0.527 3.478 1.00 0.00 O ATOM 2141 CB LEU B 36 18.999 0.987 0.884 1.00 0.00 C ATOM 2142 CG LEU B 36 19.326 0.324 -0.433 1.00 0.00 C ATOM 2143 CD1 LEU B 36 19.334 -1.183 -0.254 1.00 0.00 C ATOM 2144 CD2 LEU B 36 18.327 0.755 -1.493 1.00 0.00 C ATOM 0 H LEU B 36 17.087 2.451 0.404 1.00 0.00 H new ATOM 0 HA LEU B 36 17.198 -0.221 0.988 1.00 0.00 H new ATOM 0 HB2 LEU B 36 19.109 2.065 0.768 1.00 0.00 H new ATOM 0 HB3 LEU B 36 19.732 0.669 1.626 1.00 0.00 H new ATOM 0 HG LEU B 36 20.317 0.632 -0.766 1.00 0.00 H new ATOM 0 HD11 LEU B 36 19.570 -1.661 -1.205 1.00 0.00 H new ATOM 0 HD12 LEU B 36 20.085 -1.457 0.487 1.00 0.00 H new ATOM 0 HD13 LEU B 36 18.352 -1.514 0.085 1.00 0.00 H new ATOM 0 HD21 LEU B 36 18.570 0.272 -2.440 1.00 0.00 H new ATOM 0 HD22 LEU B 36 17.322 0.465 -1.185 1.00 0.00 H new ATOM 0 HD23 LEU B 36 18.371 1.837 -1.616 1.00 0.00 H new ATOM 2156 N SER B 37 18.144 1.604 3.556 1.00 0.00 N ATOM 2157 CA SER B 37 18.338 1.607 4.993 1.00 0.00 C ATOM 2158 C SER B 37 17.073 1.173 5.730 1.00 0.00 C ATOM 2159 O SER B 37 17.124 0.319 6.614 1.00 0.00 O ATOM 2160 CB SER B 37 18.777 2.992 5.470 1.00 0.00 C ATOM 2161 OG SER B 37 20.039 3.343 4.930 1.00 0.00 O ATOM 0 H SER B 37 18.371 2.486 3.098 1.00 0.00 H new ATOM 0 HA SER B 37 19.123 0.886 5.222 1.00 0.00 H new ATOM 0 HB2 SER B 37 18.034 3.733 5.176 1.00 0.00 H new ATOM 0 HB3 SER B 37 18.828 3.006 6.559 1.00 0.00 H new ATOM 0 HG SER B 37 20.295 4.233 5.249 1.00 0.00 H new ATOM 2167 N PHE B 38 15.940 1.765 5.362 1.00 0.00 N ATOM 2168 CA PHE B 38 14.667 1.434 5.994 1.00 0.00 C ATOM 2169 C PHE B 38 14.360 -0.053 5.854 1.00 0.00 C ATOM 2170 O PHE B 38 13.657 -0.633 6.681 1.00 0.00 O ATOM 2171 CB PHE B 38 13.532 2.253 5.379 1.00 0.00 C ATOM 2172 CG PHE B 38 12.201 2.004 6.030 1.00 0.00 C ATOM 2173 CD1 PHE B 38 11.458 0.879 5.712 1.00 0.00 C ATOM 2174 CD2 PHE B 38 11.692 2.896 6.961 1.00 0.00 C ATOM 2175 CE1 PHE B 38 10.233 0.648 6.309 1.00 0.00 C ATOM 2176 CE2 PHE B 38 10.468 2.670 7.561 1.00 0.00 C ATOM 2177 CZ PHE B 38 9.737 1.545 7.234 1.00 0.00 C ATOM 0 H PHE B 38 15.878 2.474 4.632 1.00 0.00 H new ATOM 0 HA PHE B 38 14.749 1.677 7.053 1.00 0.00 H new ATOM 0 HB2 PHE B 38 13.774 3.313 5.457 1.00 0.00 H new ATOM 0 HB3 PHE B 38 13.459 2.020 4.317 1.00 0.00 H new ATOM 0 HD1 PHE B 38 11.841 0.174 4.989 1.00 0.00 H new ATOM 0 HD2 PHE B 38 12.259 3.778 7.220 1.00 0.00 H new ATOM 0 HE1 PHE B 38 9.664 -0.233 6.052 1.00 0.00 H new ATOM 0 HE2 PHE B 38 10.083 3.373 8.285 1.00 0.00 H new ATOM 0 HZ PHE B 38 8.779 1.367 7.701 1.00 0.00 H new ATOM 2187 N MET B 39 14.889 -0.662 4.799 1.00 0.00 N ATOM 2188 CA MET B 39 14.667 -2.079 4.546 1.00 0.00 C ATOM 2189 C MET B 39 15.470 -2.944 5.511 1.00 0.00 C ATOM 2190 O MET B 39 14.912 -3.760 6.238 1.00 0.00 O ATOM 2191 CB MET B 39 15.046 -2.422 3.104 1.00 0.00 C ATOM 2192 CG MET B 39 14.505 -3.762 2.633 1.00 0.00 C ATOM 2193 SD MET B 39 13.104 -3.594 1.509 1.00 0.00 S ATOM 2194 CE MET B 39 11.974 -2.641 2.521 1.00 0.00 C ATOM 0 H MET B 39 15.474 -0.196 4.106 1.00 0.00 H new ATOM 0 HA MET B 39 13.608 -2.286 4.701 1.00 0.00 H new ATOM 0 HB2 MET B 39 14.675 -1.638 2.444 1.00 0.00 H new ATOM 0 HB3 MET B 39 16.132 -2.427 3.014 1.00 0.00 H new ATOM 0 HG2 MET B 39 15.301 -4.315 2.134 1.00 0.00 H new ATOM 0 HG3 MET B 39 14.202 -4.351 3.499 1.00 0.00 H new ATOM 0 HE1 MET B 39 10.954 -2.794 2.170 1.00 0.00 H new ATOM 0 HE2 MET B 39 12.053 -2.965 3.559 1.00 0.00 H new ATOM 0 HE3 MET B 39 12.227 -1.583 2.451 1.00 0.00 H new ATOM 2204 N ASN B 40 16.785 -2.767 5.505 1.00 0.00 N ATOM 2205 CA ASN B 40 17.663 -3.545 6.374 1.00 0.00 C ATOM 2206 C ASN B 40 17.425 -3.238 7.855 1.00 0.00 C ATOM 2207 O ASN B 40 17.818 -4.017 8.723 1.00 0.00 O ATOM 2208 CB ASN B 40 19.135 -3.298 6.024 1.00 0.00 C ATOM 2209 CG ASN B 40 19.424 -1.852 5.685 1.00 0.00 C ATOM 2210 OD1 ASN B 40 19.508 -0.999 6.569 1.00 0.00 O ATOM 2211 ND2 ASN B 40 19.577 -1.568 4.398 1.00 0.00 N ATOM 0 H ASN B 40 17.268 -2.094 4.910 1.00 0.00 H new ATOM 0 HA ASN B 40 17.424 -4.595 6.205 1.00 0.00 H new ATOM 0 HB2 ASN B 40 19.759 -3.601 6.865 1.00 0.00 H new ATOM 0 HB3 ASN B 40 19.413 -3.927 5.178 1.00 0.00 H new ATOM 0 HD21 ASN B 40 19.773 -0.610 4.107 1.00 0.00 H new ATOM 0 HD22 ASN B 40 19.499 -2.307 3.700 1.00 0.00 H new ATOM 2218 N THR B 41 16.803 -2.097 8.146 1.00 0.00 N ATOM 2219 CA THR B 41 16.550 -1.705 9.532 1.00 0.00 C ATOM 2220 C THR B 41 15.152 -2.084 10.011 1.00 0.00 C ATOM 2221 O THR B 41 14.949 -2.336 11.199 1.00 0.00 O ATOM 2222 CB THR B 41 16.744 -0.195 9.702 1.00 0.00 C ATOM 2223 OG1 THR B 41 16.741 0.158 11.073 1.00 0.00 O ATOM 2224 CG2 THR B 41 15.684 0.637 9.016 1.00 0.00 C ATOM 0 H THR B 41 16.467 -1.433 7.448 1.00 0.00 H new ATOM 0 HA THR B 41 17.269 -2.252 10.142 1.00 0.00 H new ATOM 0 HB THR B 41 17.705 0.021 9.234 1.00 0.00 H new ATOM 0 HG1 THR B 41 16.868 1.126 11.162 1.00 0.00 H new ATOM 0 HG21 THR B 41 15.889 1.695 9.181 1.00 0.00 H new ATOM 0 HG22 THR B 41 15.693 0.428 7.946 1.00 0.00 H new ATOM 0 HG23 THR B 41 14.705 0.389 9.426 1.00 0.00 H new ATOM 2232 N GLU B 42 14.182 -2.083 9.106 1.00 0.00 N ATOM 2233 CA GLU B 42 12.805 -2.386 9.486 1.00 0.00 C ATOM 2234 C GLU B 42 12.177 -3.458 8.594 1.00 0.00 C ATOM 2235 O GLU B 42 10.962 -3.652 8.607 1.00 0.00 O ATOM 2236 CB GLU B 42 11.972 -1.103 9.442 1.00 0.00 C ATOM 2237 CG GLU B 42 12.784 0.161 9.715 1.00 0.00 C ATOM 2238 CD GLU B 42 12.044 1.152 10.592 1.00 0.00 C ATOM 2239 OE1 GLU B 42 10.889 1.493 10.260 1.00 0.00 O ATOM 2240 OE2 GLU B 42 12.619 1.585 11.613 1.00 0.00 O ATOM 0 H GLU B 42 14.318 -1.879 8.116 1.00 0.00 H new ATOM 0 HA GLU B 42 12.819 -2.787 10.500 1.00 0.00 H new ATOM 0 HB2 GLU B 42 11.501 -1.018 8.462 1.00 0.00 H new ATOM 0 HB3 GLU B 42 11.169 -1.175 10.176 1.00 0.00 H new ATOM 0 HG2 GLU B 42 13.724 -0.112 10.195 1.00 0.00 H new ATOM 0 HG3 GLU B 42 13.037 0.638 8.768 1.00 0.00 H new ATOM 2247 N LEU B 43 13.012 -4.157 7.836 1.00 0.00 N ATOM 2248 CA LEU B 43 12.550 -5.221 6.946 1.00 0.00 C ATOM 2249 C LEU B 43 13.724 -6.115 6.566 1.00 0.00 C ATOM 2250 O LEU B 43 13.867 -6.523 5.414 1.00 0.00 O ATOM 2251 CB LEU B 43 11.902 -4.634 5.687 1.00 0.00 C ATOM 2252 CG LEU B 43 10.528 -3.984 5.894 1.00 0.00 C ATOM 2253 CD1 LEU B 43 9.957 -3.514 4.566 1.00 0.00 C ATOM 2254 CD2 LEU B 43 9.565 -4.951 6.572 1.00 0.00 C ATOM 0 H LEU B 43 14.021 -4.006 7.818 1.00 0.00 H new ATOM 0 HA LEU B 43 11.799 -5.814 7.469 1.00 0.00 H new ATOM 0 HB2 LEU B 43 12.577 -3.889 5.265 1.00 0.00 H new ATOM 0 HB3 LEU B 43 11.801 -5.428 4.947 1.00 0.00 H new ATOM 0 HG LEU B 43 10.657 -3.119 6.545 1.00 0.00 H new ATOM 0 HD11 LEU B 43 8.982 -3.055 4.731 1.00 0.00 H new ATOM 0 HD12 LEU B 43 10.631 -2.783 4.118 1.00 0.00 H new ATOM 0 HD13 LEU B 43 9.848 -4.366 3.895 1.00 0.00 H new ATOM 0 HD21 LEU B 43 8.598 -4.466 6.708 1.00 0.00 H new ATOM 0 HD22 LEU B 43 9.442 -5.838 5.951 1.00 0.00 H new ATOM 0 HD23 LEU B 43 9.965 -5.241 7.544 1.00 0.00 H new ATOM 2266 N ALA B 44 14.565 -6.406 7.554 1.00 0.00 N ATOM 2267 CA ALA B 44 15.739 -7.244 7.344 1.00 0.00 C ATOM 2268 C ALA B 44 15.344 -8.708 7.230 1.00 0.00 C ATOM 2269 O ALA B 44 16.034 -9.500 6.595 1.00 0.00 O ATOM 2270 CB ALA B 44 16.738 -7.047 8.476 1.00 0.00 C ATOM 0 H ALA B 44 14.454 -6.072 8.511 1.00 0.00 H new ATOM 0 HA ALA B 44 16.210 -6.946 6.407 1.00 0.00 H new ATOM 0 HB1 ALA B 44 17.610 -7.679 8.306 1.00 0.00 H new ATOM 0 HB2 ALA B 44 17.048 -6.003 8.510 1.00 0.00 H new ATOM 0 HB3 ALA B 44 16.272 -7.318 9.423 1.00 0.00 H new ATOM 2276 N ALA B 45 14.221 -9.057 7.842 1.00 0.00 N ATOM 2277 CA ALA B 45 13.724 -10.423 7.801 1.00 0.00 C ATOM 2278 C ALA B 45 13.250 -10.793 6.394 1.00 0.00 C ATOM 2279 O ALA B 45 12.919 -11.947 6.125 1.00 0.00 O ATOM 2280 CB ALA B 45 12.595 -10.588 8.807 1.00 0.00 C ATOM 0 H ALA B 45 13.637 -8.411 8.373 1.00 0.00 H new ATOM 0 HA ALA B 45 14.538 -11.098 8.065 1.00 0.00 H new ATOM 0 HB1 ALA B 45 12.225 -11.613 8.774 1.00 0.00 H new ATOM 0 HB2 ALA B 45 12.965 -10.368 9.808 1.00 0.00 H new ATOM 0 HB3 ALA B 45 11.785 -9.901 8.561 1.00 0.00 H new ATOM 2286 N PHE B 46 13.214 -9.803 5.502 1.00 0.00 N ATOM 2287 CA PHE B 46 12.774 -10.020 4.130 1.00 0.00 C ATOM 2288 C PHE B 46 13.927 -9.856 3.136 1.00 0.00 C ATOM 2289 O PHE B 46 13.807 -10.237 1.971 1.00 0.00 O ATOM 2290 CB PHE B 46 11.649 -9.039 3.792 1.00 0.00 C ATOM 2291 CG PHE B 46 10.562 -8.994 4.828 1.00 0.00 C ATOM 2292 CD1 PHE B 46 10.726 -8.258 5.991 1.00 0.00 C ATOM 2293 CD2 PHE B 46 9.376 -9.686 4.641 1.00 0.00 C ATOM 2294 CE1 PHE B 46 9.729 -8.214 6.947 1.00 0.00 C ATOM 2295 CE2 PHE B 46 8.375 -9.646 5.592 1.00 0.00 C ATOM 2296 CZ PHE B 46 8.552 -8.909 6.747 1.00 0.00 C ATOM 0 H PHE B 46 13.486 -8.842 5.709 1.00 0.00 H new ATOM 0 HA PHE B 46 12.409 -11.044 4.048 1.00 0.00 H new ATOM 0 HB2 PHE B 46 12.071 -8.041 3.676 1.00 0.00 H new ATOM 0 HB3 PHE B 46 11.214 -9.315 2.832 1.00 0.00 H new ATOM 0 HD1 PHE B 46 11.644 -7.712 6.152 1.00 0.00 H new ATOM 0 HD2 PHE B 46 9.233 -10.264 3.740 1.00 0.00 H new ATOM 0 HE1 PHE B 46 9.870 -7.637 7.849 1.00 0.00 H new ATOM 0 HE2 PHE B 46 7.456 -10.190 5.433 1.00 0.00 H new ATOM 0 HZ PHE B 46 7.771 -8.876 7.493 1.00 0.00 H new ATOM 2306 N THR B 47 15.040 -9.278 3.592 1.00 0.00 N ATOM 2307 CA THR B 47 16.199 -9.060 2.724 1.00 0.00 C ATOM 2308 C THR B 47 17.468 -9.701 3.292 1.00 0.00 C ATOM 2309 O THR B 47 18.448 -9.889 2.571 1.00 0.00 O ATOM 2310 CB THR B 47 16.429 -7.560 2.520 1.00 0.00 C ATOM 2311 OG1 THR B 47 17.156 -7.011 3.605 1.00 0.00 O ATOM 2312 CG2 THR B 47 15.147 -6.768 2.381 1.00 0.00 C ATOM 0 H THR B 47 15.163 -8.954 4.551 1.00 0.00 H new ATOM 0 HA THR B 47 15.983 -9.535 1.767 1.00 0.00 H new ATOM 0 HB THR B 47 16.988 -7.481 1.588 1.00 0.00 H new ATOM 0 HG1 THR B 47 17.294 -6.052 3.455 1.00 0.00 H new ATOM 0 HG21 THR B 47 15.384 -5.714 2.239 1.00 0.00 H new ATOM 0 HG22 THR B 47 14.586 -7.132 1.521 1.00 0.00 H new ATOM 0 HG23 THR B 47 14.546 -6.887 3.283 1.00 0.00 H new ATOM 2428 N VAL B 55 12.412 -9.907 -3.821 1.00 0.00 N ATOM 2429 CA VAL B 55 11.586 -9.098 -2.933 1.00 0.00 C ATOM 2430 C VAL B 55 11.937 -7.615 -3.045 1.00 0.00 C ATOM 2431 O VAL B 55 11.108 -6.798 -3.445 1.00 0.00 O ATOM 2432 CB VAL B 55 11.742 -9.540 -1.465 1.00 0.00 C ATOM 2433 CG1 VAL B 55 10.767 -8.789 -0.571 1.00 0.00 C ATOM 2434 CG2 VAL B 55 11.543 -11.043 -1.335 1.00 0.00 C ATOM 0 HA VAL B 55 10.552 -9.246 -3.244 1.00 0.00 H new ATOM 0 HB VAL B 55 12.755 -9.300 -1.141 1.00 0.00 H new ATOM 0 HG11 VAL B 55 10.894 -9.116 0.461 1.00 0.00 H new ATOM 0 HG12 VAL B 55 10.961 -7.719 -0.639 1.00 0.00 H new ATOM 0 HG13 VAL B 55 9.746 -8.993 -0.894 1.00 0.00 H new ATOM 0 HG21 VAL B 55 11.657 -11.336 -0.291 1.00 0.00 H new ATOM 0 HG22 VAL B 55 10.544 -11.309 -1.680 1.00 0.00 H new ATOM 0 HG23 VAL B 55 12.286 -11.562 -1.941 1.00 0.00 H new ATOM 2444 N LEU B 56 13.169 -7.280 -2.680 1.00 0.00 N ATOM 2445 CA LEU B 56 13.645 -5.904 -2.721 1.00 0.00 C ATOM 2446 C LEU B 56 13.942 -5.454 -4.146 1.00 0.00 C ATOM 2447 O LEU B 56 13.871 -4.271 -4.469 1.00 0.00 O ATOM 2448 CB LEU B 56 14.915 -5.800 -1.886 1.00 0.00 C ATOM 2449 CG LEU B 56 15.870 -4.677 -2.279 1.00 0.00 C ATOM 2450 CD1 LEU B 56 15.248 -3.323 -1.995 1.00 0.00 C ATOM 2451 CD2 LEU B 56 17.182 -4.841 -1.544 1.00 0.00 C ATOM 0 H LEU B 56 13.862 -7.951 -2.349 1.00 0.00 H new ATOM 0 HA LEU B 56 12.864 -5.257 -2.321 1.00 0.00 H new ATOM 0 HB2 LEU B 56 14.632 -5.664 -0.842 1.00 0.00 H new ATOM 0 HB3 LEU B 56 15.450 -6.747 -1.951 1.00 0.00 H new ATOM 0 HG LEU B 56 16.064 -4.732 -3.350 1.00 0.00 H new ATOM 0 HD11 LEU B 56 15.945 -2.535 -2.282 1.00 0.00 H new ATOM 0 HD12 LEU B 56 14.326 -3.219 -2.567 1.00 0.00 H new ATOM 0 HD13 LEU B 56 15.026 -3.241 -0.931 1.00 0.00 H new ATOM 0 HD21 LEU B 56 17.861 -4.037 -1.828 1.00 0.00 H new ATOM 0 HD22 LEU B 56 17.004 -4.804 -0.469 1.00 0.00 H new ATOM 0 HD23 LEU B 56 17.628 -5.801 -1.805 1.00 0.00 H new ATOM 2463 N ASP B 57 14.320 -6.399 -4.978 1.00 0.00 N ATOM 2464 CA ASP B 57 14.670 -6.104 -6.354 1.00 0.00 C ATOM 2465 C ASP B 57 13.431 -5.852 -7.209 1.00 0.00 C ATOM 2466 O ASP B 57 13.494 -5.118 -8.191 1.00 0.00 O ATOM 2467 CB ASP B 57 15.496 -7.252 -6.923 1.00 0.00 C ATOM 2468 CG ASP B 57 16.307 -6.839 -8.136 1.00 0.00 C ATOM 2469 OD1 ASP B 57 16.743 -5.669 -8.189 1.00 0.00 O ATOM 2470 OD2 ASP B 57 16.509 -7.686 -9.032 1.00 0.00 O ATOM 0 H ASP B 57 14.394 -7.385 -4.726 1.00 0.00 H new ATOM 0 HA ASP B 57 15.261 -5.189 -6.372 1.00 0.00 H new ATOM 0 HB2 ASP B 57 16.168 -7.629 -6.152 1.00 0.00 H new ATOM 0 HB3 ASP B 57 14.832 -8.072 -7.196 1.00 0.00 H new ATOM 2475 N ARG B 58 12.308 -6.461 -6.834 1.00 0.00 N ATOM 2476 CA ARG B 58 11.061 -6.292 -7.580 1.00 0.00 C ATOM 2477 C ARG B 58 10.427 -4.928 -7.315 1.00 0.00 C ATOM 2478 O ARG B 58 9.978 -4.252 -8.241 1.00 0.00 O ATOM 2479 CB ARG B 58 10.067 -7.397 -7.217 1.00 0.00 C ATOM 2480 CG ARG B 58 10.153 -8.615 -8.125 1.00 0.00 C ATOM 2481 CD ARG B 58 8.858 -9.414 -8.108 1.00 0.00 C ATOM 2482 NE ARG B 58 9.104 -10.854 -8.086 1.00 0.00 N ATOM 2483 CZ ARG B 58 8.146 -11.770 -8.204 1.00 0.00 C ATOM 2484 NH1 ARG B 58 6.880 -11.402 -8.352 1.00 0.00 N ATOM 2485 NH2 ARG B 58 8.455 -13.060 -8.173 1.00 0.00 N ATOM 0 H ARG B 58 12.235 -7.074 -6.022 1.00 0.00 H new ATOM 0 HA ARG B 58 11.306 -6.356 -8.640 1.00 0.00 H new ATOM 0 HB2 ARG B 58 10.243 -7.709 -6.187 1.00 0.00 H new ATOM 0 HB3 ARG B 58 9.056 -6.993 -7.260 1.00 0.00 H new ATOM 0 HG2 ARG B 58 10.372 -8.296 -9.144 1.00 0.00 H new ATOM 0 HG3 ARG B 58 10.979 -9.251 -7.806 1.00 0.00 H new ATOM 0 HD2 ARG B 58 8.270 -9.133 -7.234 1.00 0.00 H new ATOM 0 HD3 ARG B 58 8.264 -9.161 -8.986 1.00 0.00 H new ATOM 0 HE ARG B 58 10.065 -11.176 -7.974 1.00 0.00 H new ATOM 0 HH11 ARG B 58 6.636 -10.412 -8.376 1.00 0.00 H new ATOM 0 HH12 ARG B 58 6.151 -12.109 -8.442 1.00 0.00 H new ATOM 0 HH21 ARG B 58 9.426 -13.349 -8.059 1.00 0.00 H new ATOM 0 HH22 ARG B 58 7.721 -13.763 -8.263 1.00 0.00 H new ATOM 2498 N MET B 59 10.381 -4.534 -6.046 1.00 0.00 N ATOM 2499 CA MET B 59 9.792 -3.263 -5.652 1.00 0.00 C ATOM 2500 C MET B 59 10.403 -2.090 -6.406 1.00 0.00 C ATOM 2501 O MET B 59 9.697 -1.290 -7.020 1.00 0.00 O ATOM 2502 CB MET B 59 10.040 -3.066 -4.163 1.00 0.00 C ATOM 2503 CG MET B 59 11.424 -3.526 -3.734 1.00 0.00 C ATOM 2504 SD MET B 59 12.097 -2.541 -2.398 1.00 0.00 S ATOM 2505 CE MET B 59 10.741 -2.732 -1.273 1.00 0.00 C ATOM 0 H MET B 59 10.748 -5.083 -5.269 1.00 0.00 H new ATOM 0 HA MET B 59 8.728 -3.292 -5.885 1.00 0.00 H new ATOM 0 HB2 MET B 59 9.919 -2.012 -3.915 1.00 0.00 H new ATOM 0 HB3 MET B 59 9.287 -3.615 -3.597 1.00 0.00 H new ATOM 0 HG2 MET B 59 11.375 -4.569 -3.422 1.00 0.00 H new ATOM 0 HG3 MET B 59 12.099 -3.481 -4.589 1.00 0.00 H new ATOM 0 HE1 MET B 59 10.517 -1.773 -0.807 1.00 0.00 H new ATOM 0 HE2 MET B 59 9.864 -3.085 -1.816 1.00 0.00 H new ATOM 0 HE3 MET B 59 11.006 -3.457 -0.503 1.00 0.00 H new ATOM 2515 N MET B 60 11.719 -1.992 -6.337 1.00 0.00 N ATOM 2516 CA MET B 60 12.448 -0.919 -6.986 1.00 0.00 C ATOM 2517 C MET B 60 12.438 -1.073 -8.506 1.00 0.00 C ATOM 2518 O MET B 60 12.602 -0.101 -9.240 1.00 0.00 O ATOM 2519 CB MET B 60 13.873 -0.882 -6.437 1.00 0.00 C ATOM 2520 CG MET B 60 13.927 -0.504 -4.959 1.00 0.00 C ATOM 2521 SD MET B 60 14.727 1.083 -4.686 1.00 0.00 S ATOM 2522 CE MET B 60 13.903 2.065 -5.932 1.00 0.00 C ATOM 0 H MET B 60 12.310 -2.652 -5.831 1.00 0.00 H new ATOM 0 HA MET B 60 11.956 0.029 -6.768 1.00 0.00 H new ATOM 0 HB2 MET B 60 14.336 -1.859 -6.575 1.00 0.00 H new ATOM 0 HB3 MET B 60 14.461 -0.167 -7.012 1.00 0.00 H new ATOM 0 HG2 MET B 60 12.914 -0.471 -4.558 1.00 0.00 H new ATOM 0 HG3 MET B 60 14.463 -1.277 -4.408 1.00 0.00 H new ATOM 0 HE1 MET B 60 13.702 3.061 -5.537 1.00 0.00 H new ATOM 0 HE2 MET B 60 14.541 2.146 -6.812 1.00 0.00 H new ATOM 0 HE3 MET B 60 12.963 1.588 -6.208 1.00 0.00 H new ATOM 2670 N GLN B 70 11.732 11.556 -8.216 1.00 0.00 N ATOM 2671 CA GLN B 70 12.044 10.996 -6.905 1.00 0.00 C ATOM 2672 C GLN B 70 11.054 9.895 -6.537 1.00 0.00 C ATOM 2673 O GLN B 70 10.238 9.486 -7.362 1.00 0.00 O ATOM 2674 CB GLN B 70 12.026 12.098 -5.843 1.00 0.00 C ATOM 2675 CG GLN B 70 13.390 12.722 -5.596 1.00 0.00 C ATOM 2676 CD GLN B 70 14.160 12.017 -4.496 1.00 0.00 C ATOM 2677 OE1 GLN B 70 14.601 10.794 -4.772 1.00 0.00 O flip ATOM 2678 NE2 GLN B 70 14.357 12.565 -3.412 1.00 0.00 N flip ATOM 0 HA GLN B 70 13.042 10.560 -6.947 1.00 0.00 H new ATOM 0 HB2 GLN B 70 11.329 12.877 -6.151 1.00 0.00 H new ATOM 0 HB3 GLN B 70 11.649 11.684 -4.908 1.00 0.00 H new ATOM 0 HG2 GLN B 70 13.971 12.694 -6.518 1.00 0.00 H new ATOM 0 HG3 GLN B 70 13.263 13.772 -5.331 1.00 0.00 H new ATOM 0 HE21 GLN B 70 14.000 13.505 -3.244 1.00 0.00 H new ATOM 0 HE22 GLN B 70 14.877 12.079 -2.682 1.00 0.00 H new ATOM 2687 N LEU B 71 11.120 9.427 -5.295 1.00 0.00 N ATOM 2688 CA LEU B 71 10.223 8.392 -4.832 1.00 0.00 C ATOM 2689 C LEU B 71 8.798 8.945 -4.797 1.00 0.00 C ATOM 2690 O LEU B 71 8.453 9.792 -5.620 1.00 0.00 O ATOM 2691 CB LEU B 71 10.687 7.892 -3.455 1.00 0.00 C ATOM 2692 CG LEU B 71 11.526 6.607 -3.469 1.00 0.00 C ATOM 2693 CD1 LEU B 71 10.627 5.381 -3.476 1.00 0.00 C ATOM 2694 CD2 LEU B 71 12.468 6.584 -4.665 1.00 0.00 C ATOM 0 H LEU B 71 11.788 9.753 -4.596 1.00 0.00 H new ATOM 0 HA LEU B 71 10.234 7.539 -5.511 1.00 0.00 H new ATOM 0 HB2 LEU B 71 11.269 8.681 -2.978 1.00 0.00 H new ATOM 0 HB3 LEU B 71 9.808 7.725 -2.833 1.00 0.00 H new ATOM 0 HG LEU B 71 12.129 6.589 -2.561 1.00 0.00 H new ATOM 0 HD11 LEU B 71 11.240 4.480 -3.486 1.00 0.00 H new ATOM 0 HD12 LEU B 71 10.001 5.384 -2.584 1.00 0.00 H new ATOM 0 HD13 LEU B 71 9.994 5.399 -4.363 1.00 0.00 H new ATOM 0 HD21 LEU B 71 13.051 5.663 -4.651 1.00 0.00 H new ATOM 0 HD22 LEU B 71 11.888 6.632 -5.586 1.00 0.00 H new ATOM 0 HD23 LEU B 71 13.141 7.440 -4.615 1.00 0.00 H new ATOM 2706 N ASP B 72 7.983 8.496 -3.848 1.00 0.00 N ATOM 2707 CA ASP B 72 6.602 8.987 -3.732 1.00 0.00 C ATOM 2708 C ASP B 72 5.784 8.176 -2.724 1.00 0.00 C ATOM 2709 O ASP B 72 6.325 7.382 -1.955 1.00 0.00 O ATOM 2710 CB ASP B 72 5.890 8.999 -5.098 1.00 0.00 C ATOM 2711 CG ASP B 72 5.442 7.625 -5.553 1.00 0.00 C ATOM 2712 OD1 ASP B 72 4.546 7.046 -4.904 1.00 0.00 O ATOM 2713 OD2 ASP B 72 5.983 7.127 -6.563 1.00 0.00 O ATOM 0 H ASP B 72 8.245 7.799 -3.151 1.00 0.00 H new ATOM 0 HA ASP B 72 6.671 10.011 -3.365 1.00 0.00 H new ATOM 0 HB2 ASP B 72 5.022 9.656 -5.042 1.00 0.00 H new ATOM 0 HB3 ASP B 72 6.561 9.421 -5.846 1.00 0.00 H new ATOM 2718 N PHE B 73 4.473 8.411 -2.730 1.00 0.00 N ATOM 2719 CA PHE B 73 3.548 7.743 -1.815 1.00 0.00 C ATOM 2720 C PHE B 73 3.370 6.260 -2.135 1.00 0.00 C ATOM 2721 O PHE B 73 3.704 5.400 -1.320 1.00 0.00 O ATOM 2722 CB PHE B 73 2.188 8.434 -1.887 1.00 0.00 C ATOM 2723 CG PHE B 73 1.397 8.401 -0.610 1.00 0.00 C ATOM 2724 CD1 PHE B 73 1.570 7.384 0.317 1.00 0.00 C ATOM 2725 CD2 PHE B 73 0.467 9.392 -0.344 1.00 0.00 C ATOM 2726 CE1 PHE B 73 0.830 7.361 1.483 1.00 0.00 C ATOM 2727 CE2 PHE B 73 -0.274 9.374 0.819 1.00 0.00 C ATOM 2728 CZ PHE B 73 -0.094 8.359 1.733 1.00 0.00 C ATOM 0 H PHE B 73 4.023 9.068 -3.367 1.00 0.00 H new ATOM 0 HA PHE B 73 3.973 7.813 -0.814 1.00 0.00 H new ATOM 0 HB2 PHE B 73 2.339 9.474 -2.178 1.00 0.00 H new ATOM 0 HB3 PHE B 73 1.599 7.965 -2.675 1.00 0.00 H new ATOM 0 HD1 PHE B 73 2.290 6.602 0.125 1.00 0.00 H new ATOM 0 HD2 PHE B 73 0.320 10.190 -1.057 1.00 0.00 H new ATOM 0 HE1 PHE B 73 0.973 6.565 2.198 1.00 0.00 H new ATOM 0 HE2 PHE B 73 -0.995 10.155 1.013 1.00 0.00 H new ATOM 0 HZ PHE B 73 -0.674 8.343 2.644 1.00 0.00 H new ATOM 2738 N GLN B 74 2.819 5.960 -3.310 1.00 0.00 N ATOM 2739 CA GLN B 74 2.582 4.571 -3.695 1.00 0.00 C ATOM 2740 C GLN B 74 3.885 3.815 -3.887 1.00 0.00 C ATOM 2741 O GLN B 74 3.959 2.628 -3.591 1.00 0.00 O ATOM 2742 CB GLN B 74 1.735 4.476 -4.964 1.00 0.00 C ATOM 2743 CG GLN B 74 1.379 3.041 -5.344 1.00 0.00 C ATOM 2744 CD GLN B 74 0.940 2.201 -4.151 1.00 0.00 C ATOM 2745 OE1 GLN B 74 1.630 1.083 -3.920 1.00 0.00 O flip ATOM 2746 NE2 GLN B 74 -0.007 2.552 -3.447 1.00 0.00 N flip ATOM 0 H GLN B 74 2.532 6.650 -4.004 1.00 0.00 H new ATOM 0 HA GLN B 74 2.031 4.109 -2.876 1.00 0.00 H new ATOM 0 HB2 GLN B 74 0.817 5.046 -4.824 1.00 0.00 H new ATOM 0 HB3 GLN B 74 2.275 4.940 -5.789 1.00 0.00 H new ATOM 0 HG2 GLN B 74 0.580 3.055 -6.085 1.00 0.00 H new ATOM 0 HG3 GLN B 74 2.242 2.571 -5.815 1.00 0.00 H new ATOM 0 HE21 GLN B 74 -0.508 3.415 -3.659 1.00 0.00 H new ATOM 0 HE22 GLN B 74 -0.291 1.980 -2.652 1.00 0.00 H new ATOM 2755 N GLU B 75 4.916 4.499 -4.374 1.00 0.00 N ATOM 2756 CA GLU B 75 6.213 3.862 -4.582 1.00 0.00 C ATOM 2757 C GLU B 75 6.578 3.020 -3.378 1.00 0.00 C ATOM 2758 O GLU B 75 6.974 1.870 -3.513 1.00 0.00 O ATOM 2759 CB GLU B 75 7.295 4.906 -4.845 1.00 0.00 C ATOM 2760 CG GLU B 75 7.966 4.726 -6.191 1.00 0.00 C ATOM 2761 CD GLU B 75 8.914 5.856 -6.536 1.00 0.00 C ATOM 2762 OE1 GLU B 75 8.444 7.001 -6.688 1.00 0.00 O ATOM 2763 OE2 GLU B 75 10.130 5.594 -6.656 1.00 0.00 O ATOM 0 H GLU B 75 4.880 5.486 -4.630 1.00 0.00 H new ATOM 0 HA GLU B 75 6.143 3.217 -5.458 1.00 0.00 H new ATOM 0 HB2 GLU B 75 6.854 5.901 -4.794 1.00 0.00 H new ATOM 0 HB3 GLU B 75 8.047 4.850 -4.058 1.00 0.00 H new ATOM 0 HG2 GLU B 75 8.515 3.785 -6.194 1.00 0.00 H new ATOM 0 HG3 GLU B 75 7.202 4.651 -6.965 1.00 0.00 H new ATOM 2770 N PHE B 76 6.424 3.588 -2.196 1.00 0.00 N ATOM 2771 CA PHE B 76 6.731 2.859 -0.986 1.00 0.00 C ATOM 2772 C PHE B 76 5.692 1.770 -0.745 1.00 0.00 C ATOM 2773 O PHE B 76 6.038 0.627 -0.458 1.00 0.00 O ATOM 2774 CB PHE B 76 6.796 3.805 0.210 1.00 0.00 C ATOM 2775 CG PHE B 76 7.639 3.283 1.337 1.00 0.00 C ATOM 2776 CD1 PHE B 76 7.308 2.099 1.975 1.00 0.00 C ATOM 2777 CD2 PHE B 76 8.765 3.975 1.755 1.00 0.00 C ATOM 2778 CE1 PHE B 76 8.084 1.613 3.010 1.00 0.00 C ATOM 2779 CE2 PHE B 76 9.544 3.494 2.789 1.00 0.00 C ATOM 2780 CZ PHE B 76 9.203 2.312 3.418 1.00 0.00 C ATOM 0 H PHE B 76 6.092 4.541 -2.051 1.00 0.00 H new ATOM 0 HA PHE B 76 7.707 2.389 -1.106 1.00 0.00 H new ATOM 0 HB2 PHE B 76 7.194 4.766 -0.117 1.00 0.00 H new ATOM 0 HB3 PHE B 76 5.785 3.987 0.576 1.00 0.00 H new ATOM 0 HD1 PHE B 76 6.433 1.549 1.660 1.00 0.00 H new ATOM 0 HD2 PHE B 76 9.036 4.900 1.267 1.00 0.00 H new ATOM 0 HE1 PHE B 76 7.816 0.688 3.499 1.00 0.00 H new ATOM 0 HE2 PHE B 76 10.419 4.042 3.106 1.00 0.00 H new ATOM 0 HZ PHE B 76 9.811 1.935 4.227 1.00 0.00 H new ATOM 2790 N LEU B 77 4.417 2.124 -0.880 1.00 0.00 N ATOM 2791 CA LEU B 77 3.344 1.159 -0.694 1.00 0.00 C ATOM 2792 C LEU B 77 3.543 -0.017 -1.643 1.00 0.00 C ATOM 2793 O LEU B 77 3.354 -1.172 -1.268 1.00 0.00 O ATOM 2794 CB LEU B 77 1.988 1.821 -0.933 1.00 0.00 C ATOM 2795 CG LEU B 77 1.362 2.452 0.310 1.00 0.00 C ATOM 2796 CD1 LEU B 77 0.363 3.531 -0.076 1.00 0.00 C ATOM 2797 CD2 LEU B 77 0.703 1.381 1.159 1.00 0.00 C ATOM 0 H LEU B 77 4.105 3.066 -1.116 1.00 0.00 H new ATOM 0 HA LEU B 77 3.366 0.791 0.332 1.00 0.00 H new ATOM 0 HB2 LEU B 77 2.103 2.590 -1.696 1.00 0.00 H new ATOM 0 HB3 LEU B 77 1.300 1.076 -1.332 1.00 0.00 H new ATOM 0 HG LEU B 77 2.150 2.925 0.897 1.00 0.00 H new ATOM 0 HD11 LEU B 77 -0.069 3.966 0.825 1.00 0.00 H new ATOM 0 HD12 LEU B 77 0.870 4.309 -0.647 1.00 0.00 H new ATOM 0 HD13 LEU B 77 -0.429 3.093 -0.684 1.00 0.00 H new ATOM 0 HD21 LEU B 77 0.259 1.839 2.043 1.00 0.00 H new ATOM 0 HD22 LEU B 77 -0.075 0.884 0.579 1.00 0.00 H new ATOM 0 HD23 LEU B 77 1.450 0.649 1.466 1.00 0.00 H new ATOM 2809 N ASN B 78 3.958 0.295 -2.865 1.00 0.00 N ATOM 2810 CA ASN B 78 4.230 -0.720 -3.872 1.00 0.00 C ATOM 2811 C ASN B 78 5.565 -1.380 -3.561 1.00 0.00 C ATOM 2812 O ASN B 78 5.724 -2.592 -3.704 1.00 0.00 O ATOM 2813 CB ASN B 78 4.248 -0.095 -5.278 1.00 0.00 C ATOM 2814 CG ASN B 78 5.380 -0.603 -6.155 1.00 0.00 C ATOM 2815 OD1 ASN B 78 5.466 -1.796 -6.451 1.00 0.00 O ATOM 2816 ND2 ASN B 78 6.255 0.304 -6.574 1.00 0.00 N ATOM 0 H ASN B 78 4.114 1.252 -3.183 1.00 0.00 H new ATOM 0 HA ASN B 78 3.441 -1.472 -3.852 1.00 0.00 H new ATOM 0 HB2 ASN B 78 3.298 -0.301 -5.770 1.00 0.00 H new ATOM 0 HB3 ASN B 78 4.330 0.988 -5.184 1.00 0.00 H new ATOM 0 HD21 ASN B 78 7.037 0.023 -7.165 1.00 0.00 H new ATOM 0 HD22 ASN B 78 6.145 1.282 -6.304 1.00 0.00 H new ATOM 2823 N LEU B 79 6.525 -0.563 -3.131 1.00 0.00 N ATOM 2824 CA LEU B 79 7.846 -1.059 -2.796 1.00 0.00 C ATOM 2825 C LEU B 79 7.737 -2.081 -1.672 1.00 0.00 C ATOM 2826 O LEU B 79 8.117 -3.235 -1.831 1.00 0.00 O ATOM 2827 CB LEU B 79 8.761 0.094 -2.375 1.00 0.00 C ATOM 2828 CG LEU B 79 9.464 0.864 -3.511 1.00 0.00 C ATOM 2829 CD1 LEU B 79 10.903 0.455 -3.654 1.00 0.00 C ATOM 2830 CD2 LEU B 79 8.751 0.719 -4.843 1.00 0.00 C ATOM 0 H LEU B 79 6.407 0.443 -3.009 1.00 0.00 H new ATOM 0 HA LEU B 79 8.279 -1.536 -3.675 1.00 0.00 H new ATOM 0 HB2 LEU B 79 8.171 0.804 -1.796 1.00 0.00 H new ATOM 0 HB3 LEU B 79 9.526 -0.303 -1.708 1.00 0.00 H new ATOM 0 HG LEU B 79 9.425 1.915 -3.225 1.00 0.00 H new ATOM 0 HD11 LEU B 79 11.363 1.020 -4.465 1.00 0.00 H new ATOM 0 HD12 LEU B 79 11.433 0.658 -2.724 1.00 0.00 H new ATOM 0 HD13 LEU B 79 10.958 -0.610 -3.878 1.00 0.00 H new ATOM 0 HD21 LEU B 79 9.289 1.281 -5.607 1.00 0.00 H new ATOM 0 HD22 LEU B 79 8.716 -0.333 -5.124 1.00 0.00 H new ATOM 0 HD23 LEU B 79 7.735 1.105 -4.756 1.00 0.00 H new ATOM 2842 N ILE B 80 7.176 -1.649 -0.547 1.00 0.00 N ATOM 2843 CA ILE B 80 6.983 -2.520 0.603 1.00 0.00 C ATOM 2844 C ILE B 80 5.835 -3.496 0.353 1.00 0.00 C ATOM 2845 O ILE B 80 5.963 -4.695 0.599 1.00 0.00 O ATOM 2846 CB ILE B 80 6.730 -1.710 1.894 1.00 0.00 C ATOM 2847 CG1 ILE B 80 7.183 -2.510 3.118 1.00 0.00 C ATOM 2848 CG2 ILE B 80 5.268 -1.325 2.020 1.00 0.00 C ATOM 2849 CD1 ILE B 80 6.079 -3.330 3.753 1.00 0.00 C ATOM 0 H ILE B 80 6.846 -0.694 -0.409 1.00 0.00 H new ATOM 0 HA ILE B 80 7.903 -3.088 0.742 1.00 0.00 H new ATOM 0 HB ILE B 80 7.314 -0.791 1.840 1.00 0.00 H new ATOM 0 HG12 ILE B 80 7.995 -3.175 2.826 1.00 0.00 H new ATOM 0 HG13 ILE B 80 7.586 -1.822 3.861 1.00 0.00 H new ATOM 0 HG21 ILE B 80 5.119 -0.756 2.938 1.00 0.00 H new ATOM 0 HG22 ILE B 80 4.977 -0.716 1.164 1.00 0.00 H new ATOM 0 HG23 ILE B 80 4.656 -2.226 2.049 1.00 0.00 H new ATOM 0 HD11 ILE B 80 6.475 -3.869 4.614 1.00 0.00 H new ATOM 0 HD12 ILE B 80 5.275 -2.669 4.077 1.00 0.00 H new ATOM 0 HD13 ILE B 80 5.691 -4.043 3.026 1.00 0.00 H new ATOM 2861 N GLY B 81 4.718 -2.978 -0.159 1.00 0.00 N ATOM 2862 CA GLY B 81 3.579 -3.827 -0.453 1.00 0.00 C ATOM 2863 C GLY B 81 3.981 -4.971 -1.353 1.00 0.00 C ATOM 2864 O GLY B 81 3.708 -6.133 -1.055 1.00 0.00 O ATOM 0 H GLY B 81 4.585 -1.990 -0.374 1.00 0.00 H new ATOM 0 HA2 GLY B 81 3.162 -4.218 0.475 1.00 0.00 H new ATOM 0 HA3 GLY B 81 2.796 -3.239 -0.932 1.00 0.00 H new ATOM 2868 N GLY B 82 4.666 -4.640 -2.445 1.00 0.00 N ATOM 2869 CA GLY B 82 5.130 -5.669 -3.357 1.00 0.00 C ATOM 2870 C GLY B 82 5.894 -6.758 -2.623 1.00 0.00 C ATOM 2871 O GLY B 82 5.796 -7.935 -2.969 1.00 0.00 O ATOM 0 H GLY B 82 4.906 -3.685 -2.712 1.00 0.00 H new ATOM 0 HA2 GLY B 82 4.278 -6.107 -3.877 1.00 0.00 H new ATOM 0 HA3 GLY B 82 5.771 -5.222 -4.117 1.00 0.00 H new ATOM 2875 N LEU B 83 6.642 -6.366 -1.587 1.00 0.00 N ATOM 2876 CA LEU B 83 7.396 -7.331 -0.792 1.00 0.00 C ATOM 2877 C LEU B 83 6.448 -8.317 -0.137 1.00 0.00 C ATOM 2878 O LEU B 83 6.698 -9.520 -0.126 1.00 0.00 O ATOM 2879 CB LEU B 83 8.217 -6.633 0.291 1.00 0.00 C ATOM 2880 CG LEU B 83 8.909 -5.351 -0.147 1.00 0.00 C ATOM 2881 CD1 LEU B 83 9.791 -4.815 0.969 1.00 0.00 C ATOM 2882 CD2 LEU B 83 9.720 -5.591 -1.412 1.00 0.00 C ATOM 0 H LEU B 83 6.739 -5.397 -1.284 1.00 0.00 H new ATOM 0 HA LEU B 83 8.075 -7.857 -1.463 1.00 0.00 H new ATOM 0 HB2 LEU B 83 7.561 -6.404 1.131 1.00 0.00 H new ATOM 0 HB3 LEU B 83 8.973 -7.328 0.657 1.00 0.00 H new ATOM 0 HG LEU B 83 8.148 -4.602 -0.367 1.00 0.00 H new ATOM 0 HD11 LEU B 83 10.278 -3.898 0.639 1.00 0.00 H new ATOM 0 HD12 LEU B 83 9.180 -4.605 1.847 1.00 0.00 H new ATOM 0 HD13 LEU B 83 10.548 -5.557 1.223 1.00 0.00 H new ATOM 0 HD21 LEU B 83 10.209 -4.664 -1.712 1.00 0.00 H new ATOM 0 HD22 LEU B 83 10.475 -6.354 -1.221 1.00 0.00 H new ATOM 0 HD23 LEU B 83 9.058 -5.927 -2.210 1.00 0.00 H new ATOM 2894 N ALA B 84 5.354 -7.800 0.413 1.00 0.00 N ATOM 2895 CA ALA B 84 4.367 -8.647 1.070 1.00 0.00 C ATOM 2896 C ALA B 84 3.881 -9.741 0.134 1.00 0.00 C ATOM 2897 O ALA B 84 3.577 -10.857 0.555 1.00 0.00 O ATOM 2898 CB ALA B 84 3.181 -7.822 1.525 1.00 0.00 C ATOM 0 H ALA B 84 5.130 -6.805 0.417 1.00 0.00 H new ATOM 0 HA ALA B 84 4.847 -9.105 1.935 1.00 0.00 H new ATOM 0 HB1 ALA B 84 2.453 -8.470 2.014 1.00 0.00 H new ATOM 0 HB2 ALA B 84 3.517 -7.059 2.227 1.00 0.00 H new ATOM 0 HB3 ALA B 84 2.719 -7.343 0.662 1.00 0.00 H new ATOM 2904 N VAL B 85 3.804 -9.403 -1.139 1.00 0.00 N ATOM 2905 CA VAL B 85 3.347 -10.339 -2.151 1.00 0.00 C ATOM 2906 C VAL B 85 4.484 -11.226 -2.630 1.00 0.00 C ATOM 2907 O VAL B 85 4.261 -12.266 -3.248 1.00 0.00 O ATOM 2908 CB VAL B 85 2.692 -9.623 -3.356 1.00 0.00 C ATOM 2909 CG1 VAL B 85 1.295 -10.166 -3.570 1.00 0.00 C ATOM 2910 CG2 VAL B 85 2.640 -8.114 -3.154 1.00 0.00 C ATOM 0 H VAL B 85 4.053 -8.482 -1.499 1.00 0.00 H new ATOM 0 HA VAL B 85 2.587 -10.961 -1.679 1.00 0.00 H new ATOM 0 HB VAL B 85 3.303 -9.817 -4.238 1.00 0.00 H new ATOM 0 HG11 VAL B 85 0.834 -9.661 -4.419 1.00 0.00 H new ATOM 0 HG12 VAL B 85 1.347 -11.236 -3.769 1.00 0.00 H new ATOM 0 HG13 VAL B 85 0.696 -9.992 -2.676 1.00 0.00 H new ATOM 0 HG21 VAL B 85 2.173 -7.647 -4.021 1.00 0.00 H new ATOM 0 HG22 VAL B 85 2.057 -7.886 -2.262 1.00 0.00 H new ATOM 0 HG23 VAL B 85 3.652 -7.728 -3.035 1.00 0.00 H new ATOM 2920 N ALA B 86 5.703 -10.799 -2.347 1.00 0.00 N ATOM 2921 CA ALA B 86 6.883 -11.536 -2.749 1.00 0.00 C ATOM 2922 C ALA B 86 7.677 -12.035 -1.544 1.00 0.00 C ATOM 2923 O ALA B 86 8.829 -12.446 -1.683 1.00 0.00 O ATOM 2924 CB ALA B 86 7.746 -10.638 -3.600 1.00 0.00 C ATOM 0 H ALA B 86 5.899 -9.938 -1.836 1.00 0.00 H new ATOM 0 HA ALA B 86 6.570 -12.413 -3.316 1.00 0.00 H new ATOM 0 HB1 ALA B 86 8.639 -11.180 -3.911 1.00 0.00 H new ATOM 0 HB2 ALA B 86 7.187 -10.325 -4.482 1.00 0.00 H new ATOM 0 HB3 ALA B 86 8.036 -9.760 -3.024 1.00 0.00 H new ATOM 2930 N CYS B 87 7.069 -11.986 -0.363 1.00 0.00 N ATOM 2931 CA CYS B 87 7.749 -12.425 0.848 1.00 0.00 C ATOM 2932 C CYS B 87 6.766 -12.812 1.949 1.00 0.00 C ATOM 2933 O CYS B 87 6.962 -13.816 2.633 1.00 0.00 O ATOM 2934 CB CYS B 87 8.682 -11.322 1.353 1.00 0.00 C ATOM 2935 SG CYS B 87 10.281 -11.924 1.944 1.00 0.00 S ATOM 0 H CYS B 87 6.117 -11.650 -0.220 1.00 0.00 H new ATOM 0 HA CYS B 87 8.328 -13.313 0.594 1.00 0.00 H new ATOM 0 HB2 CYS B 87 8.850 -10.606 0.549 1.00 0.00 H new ATOM 0 HB3 CYS B 87 8.187 -10.783 2.161 1.00 0.00 H new ATOM 0 HG CYS B 87 10.794 -12.730 1.062 1.00 0.00 H new ATOM 2941 N HIS B 88 5.715 -12.015 2.133 1.00 0.00 N ATOM 2942 CA HIS B 88 4.732 -12.305 3.176 1.00 0.00 C ATOM 2943 C HIS B 88 3.810 -13.449 2.766 1.00 0.00 C ATOM 2944 O HIS B 88 3.505 -13.625 1.586 1.00 0.00 O ATOM 2945 CB HIS B 88 3.904 -11.063 3.513 1.00 0.00 C ATOM 2946 CG HIS B 88 4.492 -10.234 4.614 1.00 0.00 C ATOM 2947 ND1 HIS B 88 4.465 -10.616 5.938 1.00 0.00 N ATOM 2948 CD2 HIS B 88 5.127 -9.038 4.583 1.00 0.00 C ATOM 2949 CE1 HIS B 88 5.056 -9.691 6.674 1.00 0.00 C ATOM 2950 NE2 HIS B 88 5.467 -8.724 5.875 1.00 0.00 N ATOM 0 H HIS B 88 5.523 -11.177 1.584 1.00 0.00 H new ATOM 0 HA HIS B 88 5.284 -12.608 4.065 1.00 0.00 H new ATOM 0 HB2 HIS B 88 3.806 -10.448 2.619 1.00 0.00 H new ATOM 0 HB3 HIS B 88 2.899 -11.373 3.799 1.00 0.00 H new ATOM 0 HD2 HIS B 88 5.328 -8.442 3.705 1.00 0.00 H new ATOM 0 HE1 HIS B 88 5.181 -9.721 7.746 1.00 0.00 H new ATOM 0 HE2 HIS B 88 5.958 -7.880 6.170 1.00 0.00 H new ATOM 2959 N GLU B 89 3.370 -14.223 3.755 1.00 0.00 N ATOM 2960 CA GLU B 89 2.482 -15.354 3.509 1.00 0.00 C ATOM 2961 C GLU B 89 1.131 -14.880 2.985 1.00 0.00 C ATOM 2962 O GLU B 89 0.152 -14.813 3.728 1.00 0.00 O ATOM 2963 CB GLU B 89 2.291 -16.165 4.791 1.00 0.00 C ATOM 2964 CG GLU B 89 1.395 -17.381 4.615 1.00 0.00 C ATOM 2965 CD GLU B 89 1.298 -18.221 5.873 1.00 0.00 C ATOM 2966 OE1 GLU B 89 1.246 -17.634 6.976 1.00 0.00 O ATOM 2967 OE2 GLU B 89 1.274 -19.464 5.758 1.00 0.00 O ATOM 0 H GLU B 89 3.615 -14.086 4.736 1.00 0.00 H new ATOM 0 HA GLU B 89 2.942 -15.989 2.751 1.00 0.00 H new ATOM 0 HB2 GLU B 89 3.266 -16.492 5.153 1.00 0.00 H new ATOM 0 HB3 GLU B 89 1.866 -15.519 5.559 1.00 0.00 H new ATOM 0 HG2 GLU B 89 0.397 -17.053 4.324 1.00 0.00 H new ATOM 0 HG3 GLU B 89 1.779 -17.996 3.801 1.00 0.00 H new ATOM 2974 N SER B 90 1.088 -14.552 1.699 1.00 0.00 N ATOM 2975 CA SER B 90 -0.139 -14.083 1.066 1.00 0.00 C ATOM 2976 C SER B 90 -0.208 -14.555 -0.381 1.00 0.00 C ATOM 2977 O SER B 90 -1.189 -15.169 -0.800 1.00 0.00 O ATOM 2978 CB SER B 90 -0.209 -12.559 1.119 1.00 0.00 C ATOM 2979 OG SER B 90 -0.313 -12.098 2.455 1.00 0.00 O ATOM 0 H SER B 90 1.891 -14.602 1.072 1.00 0.00 H new ATOM 0 HA SER B 90 -0.988 -14.498 1.610 1.00 0.00 H new ATOM 0 HB2 SER B 90 0.680 -12.135 0.653 1.00 0.00 H new ATOM 0 HB3 SER B 90 -1.067 -12.211 0.543 1.00 0.00 H new ATOM 0 HG SER B 90 -0.080 -11.147 2.492 1.00 0.00 H new ATOM 2985 N PHE B 91 0.843 -14.261 -1.140 1.00 0.00 N ATOM 2986 CA PHE B 91 0.912 -14.651 -2.542 1.00 0.00 C ATOM 2987 C PHE B 91 2.006 -15.693 -2.759 1.00 0.00 C ATOM 2988 O PHE B 91 1.800 -16.690 -3.450 1.00 0.00 O ATOM 2989 CB PHE B 91 1.174 -13.426 -3.422 1.00 0.00 C ATOM 2990 CG PHE B 91 0.194 -13.279 -4.551 1.00 0.00 C ATOM 2991 CD1 PHE B 91 -1.133 -12.972 -4.298 1.00 0.00 C ATOM 2992 CD2 PHE B 91 0.601 -13.446 -5.865 1.00 0.00 C ATOM 2993 CE1 PHE B 91 -2.037 -12.836 -5.335 1.00 0.00 C ATOM 2994 CE2 PHE B 91 -0.298 -13.312 -6.906 1.00 0.00 C ATOM 2995 CZ PHE B 91 -1.619 -13.006 -6.641 1.00 0.00 C ATOM 0 H PHE B 91 1.661 -13.752 -0.805 1.00 0.00 H new ATOM 0 HA PHE B 91 -0.046 -15.090 -2.822 1.00 0.00 H new ATOM 0 HB2 PHE B 91 1.140 -12.530 -2.803 1.00 0.00 H new ATOM 0 HB3 PHE B 91 2.182 -13.492 -3.832 1.00 0.00 H new ATOM 0 HD1 PHE B 91 -1.465 -12.837 -3.279 1.00 0.00 H new ATOM 0 HD2 PHE B 91 1.633 -13.684 -6.078 1.00 0.00 H new ATOM 0 HE1 PHE B 91 -3.069 -12.597 -5.125 1.00 0.00 H new ATOM 0 HE2 PHE B 91 0.032 -13.446 -7.926 1.00 0.00 H new ATOM 0 HZ PHE B 91 -2.323 -12.900 -7.453 1.00 0.00 H new ATOM 3005 N VAL B 92 3.169 -15.453 -2.162 1.00 0.00 N ATOM 3006 CA VAL B 92 4.297 -16.368 -2.288 1.00 0.00 C ATOM 3007 C VAL B 92 3.990 -17.718 -1.648 1.00 0.00 C ATOM 3008 O VAL B 92 4.542 -18.744 -2.046 1.00 0.00 O ATOM 3009 CB VAL B 92 5.567 -15.786 -1.642 1.00 0.00 C ATOM 3010 CG1 VAL B 92 6.135 -14.666 -2.499 1.00 0.00 C ATOM 3011 CG2 VAL B 92 5.271 -15.293 -0.233 1.00 0.00 C ATOM 0 H VAL B 92 3.355 -14.632 -1.586 1.00 0.00 H new ATOM 0 HA VAL B 92 4.470 -16.507 -3.355 1.00 0.00 H new ATOM 0 HB VAL B 92 6.315 -16.576 -1.575 1.00 0.00 H new ATOM 0 HG11 VAL B 92 7.033 -14.266 -2.027 1.00 0.00 H new ATOM 0 HG12 VAL B 92 6.386 -15.055 -3.486 1.00 0.00 H new ATOM 0 HG13 VAL B 92 5.394 -13.873 -2.599 1.00 0.00 H new ATOM 0 HG21 VAL B 92 6.180 -14.885 0.208 1.00 0.00 H new ATOM 0 HG22 VAL B 92 4.507 -14.517 -0.272 1.00 0.00 H new ATOM 0 HG23 VAL B 92 4.914 -16.124 0.376 1.00 0.00 H new