USER MOD reduce.3.24.130724 H: found=0, std=0, add=986, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 988 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 20 THR OG1 : rot 70:sc= -2.69! USER MOD Set 1.2: B 68 SER OG : rot -95:sc= -2.15 USER MOD Set 2.1: B 12 TYR OH : rot -54:sc= 0.234 USER MOD Set 2.2: B 67 SER OG : rot -134:sc= -0.957! USER MOD Set 3.1: B 21 GLN :FLIP amide:sc= -5.44! C(o=-12!,f=-11!) USER MOD Set 3.2: B 24 SER OG : rot -158:sc= -5.28 USER MOD Set 4.1: A 20 THR OG1 : rot 58:sc= -2.86! USER MOD Set 4.2: A 68 SER OG : rot -94:sc= -2.19 USER MOD Set 5.1: A 21 GLN :FLIP amide:sc= -5.31! C(o=-12!,f=-11!) USER MOD Set 5.2: A 24 SER OG : rot -159:sc= -5.37! USER MOD Set 6.1: A 12 TYR OH : rot -59:sc= 0.202 USER MOD Set 6.2: A 67 SER OG : rot -138:sc= -1.21! USER MOD Set 7.1: A 11 LYS NZ :NH3+ 169:sc= -0.016 (180deg=-0.214) USER MOD Set 7.2: B 11 LYS NZ :NH3+ 168:sc= -0.0344 (180deg=-0.196) USER MOD Single : A 4 SER OG : rot 180:sc= -0.0267 USER MOD Single : A 13 ASN :FLIP amide:sc= -15.4! C(o=-22!,f=-15!) USER MOD Single : A 23 SER OG : rot 110:sc= -0.0591 USER MOD Single : A 27 ASN :FLIP amide:sc= -0.61 F(o=-8!,f=-0.61) USER MOD Single : A 35 SER OG : rot 76:sc= 0.455 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot -170:sc= -0.865 USER MOD Single : A 40 SER OG : rot -61:sc= 1.19 USER MOD Single : A 41 SER OG : rot 87:sc= 0.956 USER MOD Single : A 64 THR OG1 : rot -48:sc= 0.154 USER MOD Single : A 66 THR OG1 : rot 139:sc= -3.7! USER MOD Single : A 70 THR OG1 : rot -157:sc= 2.31 USER MOD Single : A 74 LYS NZ :NH3+ 157:sc= -0.862 (180deg=-1.87!) USER MOD Single : B 4 SER OG : rot 180:sc= -0.0125 USER MOD Single : B 13 ASN :FLIP amide:sc= -15.5! C(o=-22!,f=-16!) USER MOD Single : B 23 SER OG : rot 123:sc=-0.000873 USER MOD Single : B 27 ASN :FLIP amide:sc= -0.605 F(o=-8!,f=-0.61) USER MOD Single : B 35 SER OG : rot 76:sc= 0.441 USER MOD Single : B 36 SER OG : rot 180:sc= 0 USER MOD Single : B 38 SER OG : rot -179:sc= -0.871 USER MOD Single : B 40 SER OG : rot -74:sc= 1.21 USER MOD Single : B 41 SER OG : rot 93:sc= 1.03 USER MOD Single : B 64 THR OG1 : rot -49:sc= 0.143 USER MOD Single : B 66 THR OG1 : rot 136:sc= -3.76! USER MOD Single : B 70 THR OG1 : rot -167:sc= 2.24 USER MOD Single : B 74 LYS NZ :NH3+ 158:sc= -0.849 (180deg=-1.85!) USER MOD ----------------------------------------------------------------- ATOM 46 N SER A 4 -13.479 10.259 -5.332 1.00 0.00 N ATOM 47 CA SER A 4 -14.163 8.996 -5.597 1.00 0.00 C ATOM 48 C SER A 4 -13.215 7.836 -5.365 1.00 0.00 C ATOM 49 O SER A 4 -12.069 8.047 -4.982 1.00 0.00 O ATOM 50 CB SER A 4 -14.669 8.958 -7.036 1.00 0.00 C ATOM 51 OG SER A 4 -15.565 7.879 -7.236 1.00 0.00 O ATOM 0 HA SER A 4 -15.012 8.913 -4.919 1.00 0.00 H new ATOM 0 HB2 SER A 4 -15.168 9.897 -7.274 1.00 0.00 H new ATOM 0 HB3 SER A 4 -13.825 8.864 -7.719 1.00 0.00 H new ATOM 0 HG SER A 4 -15.875 7.879 -8.166 1.00 0.00 H new ATOM 57 N VAL A 5 -13.681 6.614 -5.591 1.00 0.00 N ATOM 58 CA VAL A 5 -12.828 5.450 -5.405 1.00 0.00 C ATOM 59 C VAL A 5 -11.848 5.318 -6.574 1.00 0.00 C ATOM 60 O VAL A 5 -10.637 5.246 -6.369 1.00 0.00 O ATOM 61 CB VAL A 5 -13.638 4.135 -5.229 1.00 0.00 C ATOM 62 CG1 VAL A 5 -15.114 4.424 -4.974 1.00 0.00 C ATOM 63 CG2 VAL A 5 -13.450 3.198 -6.421 1.00 0.00 C ATOM 0 H VAL A 5 -14.631 6.406 -5.899 1.00 0.00 H new ATOM 0 HA VAL A 5 -12.273 5.607 -4.480 1.00 0.00 H new ATOM 0 HB VAL A 5 -13.246 3.624 -4.350 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -15.654 3.484 -4.855 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -15.217 5.019 -4.066 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -15.528 4.976 -5.818 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -14.030 2.289 -6.264 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -13.790 3.693 -7.330 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -12.395 2.942 -6.520 1.00 0.00 H new ATOM 73 N GLY A 6 -12.379 5.300 -7.799 1.00 0.00 N ATOM 74 CA GLY A 6 -11.530 5.174 -8.970 1.00 0.00 C ATOM 75 C GLY A 6 -10.634 6.382 -9.146 1.00 0.00 C ATOM 76 O GLY A 6 -9.453 6.248 -9.471 1.00 0.00 O ATOM 0 H GLY A 6 -13.377 5.370 -7.997 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -10.918 4.277 -8.880 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -12.150 5.049 -9.857 1.00 0.00 H new ATOM 80 N ASP A 7 -11.199 7.564 -8.927 1.00 0.00 N ATOM 81 CA ASP A 7 -10.441 8.802 -9.036 1.00 0.00 C ATOM 82 C ASP A 7 -9.359 8.836 -7.973 1.00 0.00 C ATOM 83 O ASP A 7 -8.250 9.314 -8.211 1.00 0.00 O ATOM 84 CB ASP A 7 -11.366 10.007 -8.875 1.00 0.00 C ATOM 85 CG ASP A 7 -12.352 10.143 -10.018 1.00 0.00 C ATOM 86 OD1 ASP A 7 -13.357 9.401 -10.026 1.00 0.00 O ATOM 87 OD2 ASP A 7 -12.122 10.992 -10.904 1.00 0.00 O ATOM 0 H ASP A 7 -12.179 7.690 -8.673 1.00 0.00 H new ATOM 0 HA ASP A 7 -9.979 8.846 -10.022 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -11.914 9.917 -7.937 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -10.766 10.914 -8.808 1.00 0.00 H new ATOM 92 N ALA A 8 -9.699 8.327 -6.792 1.00 0.00 N ATOM 93 CA ALA A 8 -8.762 8.271 -5.688 1.00 0.00 C ATOM 94 C ALA A 8 -7.471 7.624 -6.134 1.00 0.00 C ATOM 95 O ALA A 8 -6.382 8.135 -5.887 1.00 0.00 O ATOM 96 CB ALA A 8 -9.336 7.462 -4.549 1.00 0.00 C ATOM 0 H ALA A 8 -10.622 7.947 -6.580 1.00 0.00 H new ATOM 0 HA ALA A 8 -8.572 9.291 -5.354 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -8.620 7.430 -3.728 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -10.262 7.924 -4.205 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -9.542 6.448 -4.891 1.00 0.00 H new ATOM 102 N PHE A 9 -7.620 6.481 -6.795 1.00 0.00 N ATOM 103 CA PHE A 9 -6.492 5.731 -7.286 1.00 0.00 C ATOM 104 C PHE A 9 -5.593 6.610 -8.139 1.00 0.00 C ATOM 105 O PHE A 9 -4.427 6.764 -7.828 1.00 0.00 O ATOM 106 CB PHE A 9 -6.971 4.511 -8.058 1.00 0.00 C ATOM 107 CG PHE A 9 -7.163 3.330 -7.166 1.00 0.00 C ATOM 108 CD1 PHE A 9 -6.117 2.465 -6.899 1.00 0.00 C ATOM 109 CD2 PHE A 9 -8.383 3.105 -6.565 1.00 0.00 C ATOM 110 CE1 PHE A 9 -6.290 1.396 -6.047 1.00 0.00 C ATOM 111 CE2 PHE A 9 -8.563 2.035 -5.719 1.00 0.00 C ATOM 112 CZ PHE A 9 -7.519 1.182 -5.457 1.00 0.00 C ATOM 0 H PHE A 9 -8.525 6.058 -7.000 1.00 0.00 H new ATOM 0 HA PHE A 9 -5.902 5.385 -6.437 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -7.910 4.744 -8.559 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -6.247 4.266 -8.835 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -5.156 2.629 -7.363 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -9.206 3.776 -6.760 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -5.467 0.728 -5.842 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -9.526 1.866 -5.261 1.00 0.00 H new ATOM 0 HZ PHE A 9 -7.660 0.344 -4.790 1.00 0.00 H new ATOM 122 N ASP A 10 -6.153 7.266 -9.152 1.00 0.00 N ATOM 123 CA ASP A 10 -5.348 8.108 -10.036 1.00 0.00 C ATOM 124 C ASP A 10 -4.375 8.945 -9.214 1.00 0.00 C ATOM 125 O ASP A 10 -3.166 8.973 -9.477 1.00 0.00 O ATOM 126 CB ASP A 10 -6.261 9.016 -10.857 1.00 0.00 C ATOM 127 CG ASP A 10 -6.310 8.621 -12.321 1.00 0.00 C ATOM 128 OD1 ASP A 10 -5.431 9.069 -13.086 1.00 0.00 O ATOM 129 OD2 ASP A 10 -7.228 7.864 -12.701 1.00 0.00 O ATOM 0 H ASP A 10 -7.147 7.233 -9.380 1.00 0.00 H new ATOM 0 HA ASP A 10 -4.778 7.473 -10.714 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -7.268 8.984 -10.442 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -5.914 10.046 -10.773 1.00 0.00 H new ATOM 134 N LYS A 11 -4.918 9.586 -8.195 1.00 0.00 N ATOM 135 CA LYS A 11 -4.132 10.408 -7.288 1.00 0.00 C ATOM 136 C LYS A 11 -3.122 9.533 -6.548 1.00 0.00 C ATOM 137 O LYS A 11 -1.943 9.870 -6.443 1.00 0.00 O ATOM 138 CB LYS A 11 -5.061 11.107 -6.292 1.00 0.00 C ATOM 139 CG LYS A 11 -4.518 12.424 -5.757 1.00 0.00 C ATOM 140 CD LYS A 11 -3.276 12.205 -4.916 1.00 0.00 C ATOM 141 CE LYS A 11 -2.695 13.519 -4.419 1.00 0.00 C ATOM 142 NZ LYS A 11 -3.672 14.283 -3.593 1.00 0.00 N ATOM 0 H LYS A 11 -5.913 9.553 -7.972 1.00 0.00 H new ATOM 0 HA LYS A 11 -3.592 11.165 -7.856 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -6.021 11.291 -6.774 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -5.249 10.436 -5.454 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -4.284 13.089 -6.589 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -5.283 12.919 -5.159 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -3.520 11.570 -4.065 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -2.527 11.675 -5.504 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -1.800 13.320 -3.830 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -2.388 14.125 -5.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -3.186 15.073 -3.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -4.427 14.655 -4.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -4.086 13.655 -2.875 1.00 0.00 H new ATOM 156 N TYR A 12 -3.605 8.402 -6.048 1.00 0.00 N ATOM 157 CA TYR A 12 -2.775 7.455 -5.318 1.00 0.00 C ATOM 158 C TYR A 12 -1.619 6.963 -6.145 1.00 0.00 C ATOM 159 O TYR A 12 -0.470 7.139 -5.783 1.00 0.00 O ATOM 160 CB TYR A 12 -3.570 6.216 -4.921 1.00 0.00 C ATOM 161 CG TYR A 12 -2.844 5.366 -3.898 1.00 0.00 C ATOM 162 CD1 TYR A 12 -2.013 5.949 -2.942 1.00 0.00 C ATOM 163 CD2 TYR A 12 -2.975 3.981 -3.888 1.00 0.00 C ATOM 164 CE1 TYR A 12 -1.339 5.183 -2.015 1.00 0.00 C ATOM 165 CE2 TYR A 12 -2.301 3.213 -2.962 1.00 0.00 C ATOM 166 CZ TYR A 12 -1.484 3.814 -2.030 1.00 0.00 C ATOM 167 OH TYR A 12 -0.813 3.044 -1.109 1.00 0.00 O ATOM 0 H TYR A 12 -4.580 8.117 -6.137 1.00 0.00 H new ATOM 0 HA TYR A 12 -2.417 7.997 -4.442 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -4.535 6.521 -4.516 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -3.772 5.617 -5.809 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -1.895 7.022 -2.928 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -3.613 3.501 -4.615 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -0.701 5.654 -1.282 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -2.414 2.139 -2.968 1.00 0.00 H new ATOM 0 HH TYR A 12 0.152 3.190 -1.202 1.00 0.00 H new ATOM 177 N ASN A 13 -1.959 6.366 -7.268 1.00 0.00 N ATOM 178 CA ASN A 13 -0.990 5.760 -8.164 1.00 0.00 C ATOM 179 C ASN A 13 0.272 6.585 -8.275 1.00 0.00 C ATOM 180 O ASN A 13 1.364 6.095 -8.000 1.00 0.00 O ATOM 181 CB ASN A 13 -1.584 5.599 -9.555 1.00 0.00 C ATOM 182 CG ASN A 13 -3.077 5.295 -9.567 1.00 0.00 C ATOM 183 OD1 ASN A 13 -3.593 4.689 -8.500 1.00 0.00 O flip ATOM 184 ND2 ASN A 13 -3.764 5.602 -10.539 1.00 0.00 N flip ATOM 0 H ASN A 13 -2.924 6.286 -7.590 1.00 0.00 H new ATOM 0 HA ASN A 13 -0.737 4.787 -7.743 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -1.407 6.513 -10.121 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -1.057 4.797 -10.072 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -3.336 6.066 -11.340 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -4.762 5.393 -10.544 1.00 0.00 H new ATOM 191 N GLU A 14 0.130 7.827 -8.684 1.00 0.00 N ATOM 192 CA GLU A 14 1.289 8.693 -8.810 1.00 0.00 C ATOM 193 C GLU A 14 2.038 8.746 -7.472 1.00 0.00 C ATOM 194 O GLU A 14 3.266 8.689 -7.417 1.00 0.00 O ATOM 195 CB GLU A 14 0.839 10.095 -9.233 1.00 0.00 C ATOM 196 CG GLU A 14 0.536 11.009 -8.063 1.00 0.00 C ATOM 197 CD GLU A 14 -0.350 12.178 -8.445 1.00 0.00 C ATOM 198 OE1 GLU A 14 0.179 13.171 -8.989 1.00 0.00 O ATOM 199 OE2 GLU A 14 -1.572 12.102 -8.201 1.00 0.00 O ATOM 0 H GLU A 14 -0.761 8.258 -8.932 1.00 0.00 H new ATOM 0 HA GLU A 14 1.962 8.299 -9.571 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.617 10.549 -9.847 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -0.050 10.010 -9.858 1.00 0.00 H new ATOM 0 HG2 GLU A 14 0.051 10.434 -7.275 1.00 0.00 H new ATOM 0 HG3 GLU A 14 1.472 11.387 -7.652 1.00 0.00 H new ATOM 206 N ALA A 15 1.259 8.786 -6.399 1.00 0.00 N ATOM 207 CA ALA A 15 1.770 8.884 -5.038 1.00 0.00 C ATOM 208 C ALA A 15 2.378 7.589 -4.514 1.00 0.00 C ATOM 209 O ALA A 15 3.364 7.620 -3.778 1.00 0.00 O ATOM 210 CB ALA A 15 0.630 9.291 -4.118 1.00 0.00 C ATOM 0 H ALA A 15 0.241 8.751 -6.450 1.00 0.00 H new ATOM 0 HA ALA A 15 2.570 9.625 -5.055 1.00 0.00 H new ATOM 0 HB1 ALA A 15 0.998 9.368 -3.095 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.233 10.256 -4.435 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -0.160 8.541 -4.164 1.00 0.00 H new ATOM 216 N VAL A 16 1.798 6.455 -4.881 1.00 0.00 N ATOM 217 CA VAL A 16 2.269 5.193 -4.364 1.00 0.00 C ATOM 218 C VAL A 16 3.366 4.619 -5.192 1.00 0.00 C ATOM 219 O VAL A 16 4.379 4.154 -4.670 1.00 0.00 O ATOM 220 CB VAL A 16 1.129 4.182 -4.189 1.00 0.00 C ATOM 221 CG1 VAL A 16 0.149 4.272 -5.337 1.00 0.00 C ATOM 222 CG2 VAL A 16 1.667 2.768 -4.028 1.00 0.00 C ATOM 0 H VAL A 16 1.011 6.390 -5.527 1.00 0.00 H new ATOM 0 HA VAL A 16 2.680 5.403 -3.377 1.00 0.00 H new ATOM 0 HB VAL A 16 0.594 4.433 -3.273 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.650 3.546 -5.191 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.275 5.275 -5.376 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.665 4.060 -6.273 1.00 0.00 H new ATOM 0 HG21 VAL A 16 0.835 2.074 -3.906 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.241 2.494 -4.913 1.00 0.00 H new ATOM 0 HG23 VAL A 16 2.310 2.721 -3.149 1.00 0.00 H new ATOM 232 N ARG A 17 3.162 4.641 -6.477 1.00 0.00 N ATOM 233 CA ARG A 17 4.142 4.113 -7.369 1.00 0.00 C ATOM 234 C ARG A 17 5.481 4.741 -7.125 1.00 0.00 C ATOM 235 O ARG A 17 6.520 4.071 -7.163 1.00 0.00 O ATOM 236 CB ARG A 17 3.663 4.244 -8.807 1.00 0.00 C ATOM 237 CG ARG A 17 2.410 3.435 -9.089 1.00 0.00 C ATOM 238 CD ARG A 17 2.258 2.252 -8.145 1.00 0.00 C ATOM 239 NE ARG A 17 0.961 2.203 -7.553 1.00 0.00 N ATOM 240 CZ ARG A 17 0.682 1.424 -6.552 1.00 0.00 C ATOM 241 NH1 ARG A 17 1.484 0.426 -6.231 1.00 0.00 N ATOM 242 NH2 ARG A 17 -0.418 1.607 -5.897 1.00 0.00 N ATOM 0 H ARG A 17 2.327 5.018 -6.926 1.00 0.00 H new ATOM 0 HA ARG A 17 4.274 3.048 -7.178 1.00 0.00 H new ATOM 0 HB2 ARG A 17 3.468 5.294 -9.025 1.00 0.00 H new ATOM 0 HB3 ARG A 17 4.457 3.921 -9.480 1.00 0.00 H new ATOM 0 HG2 ARG A 17 1.536 4.081 -9.001 1.00 0.00 H new ATOM 0 HG3 ARG A 17 2.438 3.074 -10.117 1.00 0.00 H new ATOM 0 HD2 ARG A 17 2.442 1.327 -8.691 1.00 0.00 H new ATOM 0 HD3 ARG A 17 3.012 2.315 -7.361 1.00 0.00 H new ATOM 0 HE ARG A 17 0.226 2.802 -7.930 1.00 0.00 H new ATOM 0 HH11 ARG A 17 2.333 0.260 -6.771 1.00 0.00 H new ATOM 0 HH12 ARG A 17 1.255 -0.179 -5.443 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -1.055 2.356 -6.169 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -0.649 1.002 -5.109 1.00 0.00 H new ATOM 256 N VAL A 18 5.468 6.002 -6.811 1.00 0.00 N ATOM 257 CA VAL A 18 6.700 6.666 -6.541 1.00 0.00 C ATOM 258 C VAL A 18 7.227 6.254 -5.176 1.00 0.00 C ATOM 259 O VAL A 18 8.378 5.894 -5.047 1.00 0.00 O ATOM 260 CB VAL A 18 6.534 8.190 -6.600 1.00 0.00 C ATOM 261 CG1 VAL A 18 6.043 8.602 -7.979 1.00 0.00 C ATOM 262 CG2 VAL A 18 5.576 8.665 -5.515 1.00 0.00 C ATOM 0 H VAL A 18 4.631 6.581 -6.737 1.00 0.00 H new ATOM 0 HA VAL A 18 7.417 6.372 -7.308 1.00 0.00 H new ATOM 0 HB VAL A 18 7.501 8.661 -6.421 1.00 0.00 H new ATOM 0 HG11 VAL A 18 5.927 9.685 -8.015 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.767 8.289 -8.731 1.00 0.00 H new ATOM 0 HG13 VAL A 18 5.083 8.127 -8.180 1.00 0.00 H new ATOM 0 HG21 VAL A 18 5.470 9.748 -5.572 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.602 8.197 -5.659 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.969 8.390 -4.536 1.00 0.00 H new ATOM 272 N PHE A 19 6.339 6.176 -4.191 1.00 0.00 N ATOM 273 CA PHE A 19 6.750 5.896 -2.822 1.00 0.00 C ATOM 274 C PHE A 19 7.357 4.502 -2.616 1.00 0.00 C ATOM 275 O PHE A 19 8.394 4.360 -1.942 1.00 0.00 O ATOM 276 CB PHE A 19 5.575 6.224 -1.850 1.00 0.00 C ATOM 277 CG PHE A 19 4.591 5.129 -1.470 1.00 0.00 C ATOM 278 CD1 PHE A 19 4.987 3.851 -1.149 1.00 0.00 C ATOM 279 CD2 PHE A 19 3.242 5.421 -1.412 1.00 0.00 C ATOM 280 CE1 PHE A 19 4.067 2.883 -0.800 1.00 0.00 C ATOM 281 CE2 PHE A 19 2.312 4.461 -1.065 1.00 0.00 C ATOM 282 CZ PHE A 19 2.727 3.187 -0.763 1.00 0.00 C ATOM 0 H PHE A 19 5.334 6.302 -4.315 1.00 0.00 H new ATOM 0 HA PHE A 19 7.584 6.556 -2.584 1.00 0.00 H new ATOM 0 HB2 PHE A 19 6.011 6.606 -0.927 1.00 0.00 H new ATOM 0 HB3 PHE A 19 5.002 7.039 -2.293 1.00 0.00 H new ATOM 0 HD1 PHE A 19 6.037 3.601 -1.171 1.00 0.00 H new ATOM 0 HD2 PHE A 19 2.908 6.422 -1.643 1.00 0.00 H new ATOM 0 HE1 PHE A 19 4.401 1.885 -0.556 1.00 0.00 H new ATOM 0 HE2 PHE A 19 1.262 4.711 -1.031 1.00 0.00 H new ATOM 0 HZ PHE A 19 2.005 2.429 -0.498 1.00 0.00 H new ATOM 292 N THR A 20 6.790 3.469 -3.226 1.00 0.00 N ATOM 293 CA THR A 20 7.311 2.140 -2.972 1.00 0.00 C ATOM 294 C THR A 20 8.563 1.841 -3.769 1.00 0.00 C ATOM 295 O THR A 20 9.570 1.440 -3.185 1.00 0.00 O ATOM 296 CB THR A 20 6.273 1.042 -3.188 1.00 0.00 C ATOM 297 OG1 THR A 20 5.424 0.964 -2.056 1.00 0.00 O ATOM 298 CG2 THR A 20 6.944 -0.296 -3.429 1.00 0.00 C ATOM 0 H THR A 20 6.003 3.522 -3.873 1.00 0.00 H new ATOM 0 HA THR A 20 7.577 2.140 -1.915 1.00 0.00 H new ATOM 0 HB THR A 20 5.682 1.288 -4.070 1.00 0.00 H new ATOM 0 HG1 THR A 20 4.991 1.831 -1.911 1.00 0.00 H new ATOM 0 HG21 THR A 20 6.184 -1.062 -3.580 1.00 0.00 H new ATOM 0 HG22 THR A 20 7.576 -0.232 -4.315 1.00 0.00 H new ATOM 0 HG23 THR A 20 7.556 -0.557 -2.565 1.00 0.00 H new ATOM 306 N GLN A 21 8.536 2.018 -5.089 1.00 0.00 N ATOM 307 CA GLN A 21 9.742 1.738 -5.838 1.00 0.00 C ATOM 308 C GLN A 21 10.817 2.709 -5.397 1.00 0.00 C ATOM 309 O GLN A 21 11.988 2.519 -5.687 1.00 0.00 O ATOM 310 CB GLN A 21 9.520 1.769 -7.351 1.00 0.00 C ATOM 311 CG GLN A 21 9.046 0.430 -7.937 1.00 0.00 C ATOM 312 CD GLN A 21 9.632 -0.777 -7.253 1.00 0.00 C ATOM 313 OE1 GLN A 21 8.948 -1.244 -6.213 1.00 0.00 O flip ATOM 314 NE2 GLN A 21 10.680 -1.288 -7.650 1.00 0.00 N flip ATOM 0 H GLN A 21 7.734 2.337 -5.632 1.00 0.00 H new ATOM 0 HA GLN A 21 10.062 0.719 -5.623 1.00 0.00 H new ATOM 0 HB2 GLN A 21 8.784 2.538 -7.585 1.00 0.00 H new ATOM 0 HB3 GLN A 21 10.450 2.059 -7.839 1.00 0.00 H new ATOM 0 HG2 GLN A 21 7.959 0.380 -7.872 1.00 0.00 H new ATOM 0 HG3 GLN A 21 9.304 0.396 -8.996 1.00 0.00 H new ATOM 0 HE21 GLN A 21 11.168 -0.892 -8.453 1.00 0.00 H new ATOM 0 HE22 GLN A 21 11.060 -2.107 -7.175 1.00 0.00 H new ATOM 323 N LEU A 22 10.418 3.760 -4.678 1.00 0.00 N ATOM 324 CA LEU A 22 11.395 4.696 -4.152 1.00 0.00 C ATOM 325 C LEU A 22 12.336 3.910 -3.266 1.00 0.00 C ATOM 326 O LEU A 22 13.554 4.060 -3.342 1.00 0.00 O ATOM 327 CB LEU A 22 10.746 5.819 -3.323 1.00 0.00 C ATOM 328 CG LEU A 22 10.441 7.144 -4.054 1.00 0.00 C ATOM 329 CD1 LEU A 22 11.154 8.294 -3.371 1.00 0.00 C ATOM 330 CD2 LEU A 22 10.808 7.093 -5.537 1.00 0.00 C ATOM 0 H LEU A 22 9.447 3.976 -4.454 1.00 0.00 H new ATOM 0 HA LEU A 22 11.912 5.172 -4.985 1.00 0.00 H new ATOM 0 HB2 LEU A 22 9.812 5.438 -2.909 1.00 0.00 H new ATOM 0 HB3 LEU A 22 11.401 6.040 -2.481 1.00 0.00 H new ATOM 0 HG LEU A 22 9.364 7.302 -3.999 1.00 0.00 H new ATOM 0 HD11 LEU A 22 10.931 9.223 -3.896 1.00 0.00 H new ATOM 0 HD12 LEU A 22 10.815 8.370 -2.338 1.00 0.00 H new ATOM 0 HD13 LEU A 22 12.229 8.117 -3.388 1.00 0.00 H new ATOM 0 HD21 LEU A 22 10.573 8.050 -6.003 1.00 0.00 H new ATOM 0 HD22 LEU A 22 11.874 6.890 -5.641 1.00 0.00 H new ATOM 0 HD23 LEU A 22 10.239 6.302 -6.026 1.00 0.00 H new ATOM 342 N SER A 23 11.752 3.053 -2.431 1.00 0.00 N ATOM 343 CA SER A 23 12.549 2.226 -1.532 1.00 0.00 C ATOM 344 C SER A 23 13.344 1.143 -2.278 1.00 0.00 C ATOM 345 O SER A 23 14.543 0.989 -2.044 1.00 0.00 O ATOM 346 CB SER A 23 11.671 1.589 -0.450 1.00 0.00 C ATOM 347 OG SER A 23 11.331 2.539 0.546 1.00 0.00 O ATOM 0 H SER A 23 10.744 2.915 -2.359 1.00 0.00 H new ATOM 0 HA SER A 23 13.271 2.890 -1.057 1.00 0.00 H new ATOM 0 HB2 SER A 23 10.764 1.188 -0.901 1.00 0.00 H new ATOM 0 HB3 SER A 23 12.198 0.751 0.005 1.00 0.00 H new ATOM 0 HG SER A 23 10.377 2.754 0.481 1.00 0.00 H new ATOM 353 N SER A 24 12.697 0.392 -3.175 1.00 0.00 N ATOM 354 CA SER A 24 13.397 -0.671 -3.896 1.00 0.00 C ATOM 355 C SER A 24 14.336 -0.128 -4.953 1.00 0.00 C ATOM 356 O SER A 24 15.513 -0.487 -4.977 1.00 0.00 O ATOM 357 CB SER A 24 12.419 -1.643 -4.531 1.00 0.00 C ATOM 358 OG SER A 24 11.411 -0.953 -5.234 1.00 0.00 O ATOM 0 H SER A 24 11.711 0.498 -3.414 1.00 0.00 H new ATOM 0 HA SER A 24 13.995 -1.200 -3.154 1.00 0.00 H new ATOM 0 HB2 SER A 24 12.951 -2.309 -5.210 1.00 0.00 H new ATOM 0 HB3 SER A 24 11.968 -2.268 -3.760 1.00 0.00 H new ATOM 0 HG SER A 24 10.631 -1.536 -5.344 1.00 0.00 H new ATOM 364 N ALA A 25 13.816 0.713 -5.842 1.00 0.00 N ATOM 365 CA ALA A 25 14.646 1.305 -6.878 1.00 0.00 C ATOM 366 C ALA A 25 15.898 1.855 -6.224 1.00 0.00 C ATOM 367 O ALA A 25 16.976 1.864 -6.812 1.00 0.00 O ATOM 368 CB ALA A 25 13.890 2.403 -7.623 1.00 0.00 C ATOM 0 H ALA A 25 12.836 0.995 -5.864 1.00 0.00 H new ATOM 0 HA ALA A 25 14.915 0.548 -7.615 1.00 0.00 H new ATOM 0 HB1 ALA A 25 14.533 2.830 -8.393 1.00 0.00 H new ATOM 0 HB2 ALA A 25 12.999 1.980 -8.088 1.00 0.00 H new ATOM 0 HB3 ALA A 25 13.597 3.184 -6.921 1.00 0.00 H new ATOM 374 N ALA A 26 15.735 2.276 -4.972 1.00 0.00 N ATOM 375 CA ALA A 26 16.834 2.816 -4.187 1.00 0.00 C ATOM 376 C ALA A 26 17.909 1.762 -3.934 1.00 0.00 C ATOM 377 O ALA A 26 19.099 2.054 -4.052 1.00 0.00 O ATOM 378 CB ALA A 26 16.320 3.380 -2.867 1.00 0.00 C ATOM 0 H ALA A 26 14.842 2.251 -4.479 1.00 0.00 H new ATOM 0 HA ALA A 26 17.288 3.624 -4.761 1.00 0.00 H new ATOM 0 HB1 ALA A 26 17.155 3.780 -2.292 1.00 0.00 H new ATOM 0 HB2 ALA A 26 15.603 4.176 -3.066 1.00 0.00 H new ATOM 0 HB3 ALA A 26 15.834 2.588 -2.298 1.00 0.00 H new ATOM 384 N ASN A 27 17.504 0.536 -3.585 1.00 0.00 N ATOM 385 CA ASN A 27 18.490 -0.514 -3.323 1.00 0.00 C ATOM 386 C ASN A 27 17.975 -1.948 -3.539 1.00 0.00 C ATOM 387 O ASN A 27 18.708 -2.780 -4.073 1.00 0.00 O ATOM 388 CB ASN A 27 19.049 -0.377 -1.902 1.00 0.00 C ATOM 389 CG ASN A 27 18.003 0.021 -0.873 1.00 0.00 C ATOM 390 OD1 ASN A 27 16.735 -0.242 -1.166 1.00 0.00 O flip ATOM 391 ND2 ASN A 27 18.334 0.573 0.177 1.00 0.00 N flip ATOM 0 H ASN A 27 16.530 0.253 -3.480 1.00 0.00 H new ATOM 0 HA ASN A 27 19.275 -0.361 -4.064 1.00 0.00 H new ATOM 0 HB2 ASN A 27 19.498 -1.325 -1.604 1.00 0.00 H new ATOM 0 HB3 ASN A 27 19.846 0.366 -1.904 1.00 0.00 H new ATOM 0 HD21 ASN A 27 19.319 0.759 0.367 1.00 0.00 H new ATOM 0 HD22 ASN A 27 17.623 0.844 0.856 1.00 0.00 H new ATOM 398 N CYS A 28 16.733 -2.250 -3.145 1.00 0.00 N ATOM 399 CA CYS A 28 16.220 -3.618 -3.283 1.00 0.00 C ATOM 400 C CYS A 28 14.752 -3.721 -2.887 1.00 0.00 C ATOM 401 O CYS A 28 14.229 -2.843 -2.245 1.00 0.00 O ATOM 402 CB CYS A 28 17.047 -4.541 -2.384 1.00 0.00 C ATOM 403 SG CYS A 28 16.101 -5.843 -1.535 1.00 0.00 S ATOM 0 H CYS A 28 16.077 -1.583 -2.737 1.00 0.00 H new ATOM 0 HA CYS A 28 16.302 -3.909 -4.330 1.00 0.00 H new ATOM 0 HB2 CYS A 28 17.822 -5.012 -2.989 1.00 0.00 H new ATOM 0 HB3 CYS A 28 17.553 -3.934 -1.634 1.00 0.00 H new ATOM 408 N ASP A 29 14.093 -4.801 -3.286 1.00 0.00 N ATOM 409 CA ASP A 29 12.692 -5.027 -2.922 1.00 0.00 C ATOM 410 C ASP A 29 12.583 -6.199 -1.944 1.00 0.00 C ATOM 411 O ASP A 29 13.385 -7.131 -2.015 1.00 0.00 O ATOM 412 CB ASP A 29 11.853 -5.317 -4.167 1.00 0.00 C ATOM 413 CG ASP A 29 12.668 -5.944 -5.282 1.00 0.00 C ATOM 414 OD1 ASP A 29 12.804 -7.186 -5.292 1.00 0.00 O ATOM 415 OD2 ASP A 29 13.170 -5.192 -6.144 1.00 0.00 O ATOM 0 H ASP A 29 14.502 -5.537 -3.862 1.00 0.00 H new ATOM 0 HA ASP A 29 12.313 -4.124 -2.444 1.00 0.00 H new ATOM 0 HB2 ASP A 29 11.033 -5.984 -3.901 1.00 0.00 H new ATOM 0 HB3 ASP A 29 11.407 -4.389 -4.525 1.00 0.00 H new ATOM 420 N TRP A 30 11.602 -6.171 -1.030 1.00 0.00 N ATOM 421 CA TRP A 30 11.462 -7.276 -0.085 1.00 0.00 C ATOM 422 C TRP A 30 11.053 -8.521 -0.863 1.00 0.00 C ATOM 423 O TRP A 30 11.629 -9.594 -0.683 1.00 0.00 O ATOM 424 CB TRP A 30 10.478 -6.962 1.075 1.00 0.00 C ATOM 425 CG TRP A 30 9.153 -6.436 0.672 1.00 0.00 C ATOM 426 CD1 TRP A 30 8.171 -7.045 -0.043 1.00 0.00 C ATOM 427 CD2 TRP A 30 8.663 -5.163 1.029 1.00 0.00 C ATOM 428 NE1 TRP A 30 7.115 -6.182 -0.204 1.00 0.00 N ATOM 429 CE2 TRP A 30 7.405 -5.015 0.456 1.00 0.00 C ATOM 430 CE3 TRP A 30 9.198 -4.121 1.771 1.00 0.00 C ATOM 431 CZ2 TRP A 30 6.671 -3.853 0.599 1.00 0.00 C ATOM 432 CZ3 TRP A 30 8.476 -2.972 1.925 1.00 0.00 C ATOM 433 CH2 TRP A 30 7.227 -2.836 1.343 1.00 0.00 C ATOM 0 H TRP A 30 10.918 -5.421 -0.929 1.00 0.00 H new ATOM 0 HA TRP A 30 12.422 -7.445 0.404 1.00 0.00 H new ATOM 0 HB2 TRP A 30 10.326 -7.873 1.654 1.00 0.00 H new ATOM 0 HB3 TRP A 30 10.949 -6.237 1.739 1.00 0.00 H new ATOM 0 HD1 TRP A 30 8.214 -8.054 -0.426 1.00 0.00 H new ATOM 0 HE1 TRP A 30 6.260 -6.376 -0.726 1.00 0.00 H new ATOM 0 HE3 TRP A 30 10.175 -4.217 2.222 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 5.697 -3.746 0.144 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 8.884 -2.160 2.508 1.00 0.00 H new ATOM 0 HH2 TRP A 30 6.678 -1.915 1.475 1.00 0.00 H new ATOM 444 N ALA A 31 10.077 -8.335 -1.760 1.00 0.00 N ATOM 445 CA ALA A 31 9.573 -9.390 -2.638 1.00 0.00 C ATOM 446 C ALA A 31 8.795 -10.458 -1.874 1.00 0.00 C ATOM 447 O ALA A 31 7.746 -10.923 -2.316 1.00 0.00 O ATOM 448 CB ALA A 31 10.726 -10.016 -3.398 1.00 0.00 C ATOM 0 H ALA A 31 9.612 -7.437 -1.896 1.00 0.00 H new ATOM 0 HA ALA A 31 8.876 -8.932 -3.340 1.00 0.00 H new ATOM 0 HB1 ALA A 31 10.347 -10.802 -4.051 1.00 0.00 H new ATOM 0 HB2 ALA A 31 11.223 -9.254 -3.998 1.00 0.00 H new ATOM 0 HB3 ALA A 31 11.438 -10.443 -2.692 1.00 0.00 H new ATOM 454 N ALA A 32 9.322 -10.844 -0.732 1.00 0.00 N ATOM 455 CA ALA A 32 8.691 -11.860 0.095 1.00 0.00 C ATOM 456 C ALA A 32 7.412 -11.334 0.732 1.00 0.00 C ATOM 457 O ALA A 32 6.393 -12.028 0.782 1.00 0.00 O ATOM 458 CB ALA A 32 9.657 -12.344 1.167 1.00 0.00 C ATOM 0 H ALA A 32 10.191 -10.470 -0.350 1.00 0.00 H new ATOM 0 HA ALA A 32 8.426 -12.701 -0.546 1.00 0.00 H new ATOM 0 HB1 ALA A 32 9.171 -13.104 1.778 1.00 0.00 H new ATOM 0 HB2 ALA A 32 10.542 -12.770 0.694 1.00 0.00 H new ATOM 0 HB3 ALA A 32 9.951 -11.505 1.797 1.00 0.00 H new ATOM 464 N CYS A 33 7.462 -10.095 1.206 1.00 0.00 N ATOM 465 CA CYS A 33 6.310 -9.490 1.852 1.00 0.00 C ATOM 466 C CYS A 33 5.182 -9.226 0.876 1.00 0.00 C ATOM 467 O CYS A 33 4.036 -9.535 1.160 1.00 0.00 O ATOM 468 CB CYS A 33 6.688 -8.196 2.551 1.00 0.00 C ATOM 469 SG CYS A 33 6.133 -8.128 4.288 1.00 0.00 S ATOM 0 H CYS A 33 8.285 -9.494 1.154 1.00 0.00 H new ATOM 0 HA CYS A 33 5.960 -10.209 2.593 1.00 0.00 H new ATOM 0 HB2 CYS A 33 7.771 -8.075 2.517 1.00 0.00 H new ATOM 0 HB3 CYS A 33 6.257 -7.357 2.005 1.00 0.00 H new ATOM 474 N LEU A 34 5.480 -8.647 -0.270 1.00 0.00 N ATOM 475 CA LEU A 34 4.427 -8.375 -1.226 1.00 0.00 C ATOM 476 C LEU A 34 3.631 -9.641 -1.498 1.00 0.00 C ATOM 477 O LEU A 34 2.405 -9.609 -1.565 1.00 0.00 O ATOM 478 CB LEU A 34 4.981 -7.760 -2.501 1.00 0.00 C ATOM 479 CG LEU A 34 6.357 -8.264 -2.904 1.00 0.00 C ATOM 480 CD1 LEU A 34 6.235 -9.314 -3.995 1.00 0.00 C ATOM 481 CD2 LEU A 34 7.227 -7.108 -3.352 1.00 0.00 C ATOM 0 H LEU A 34 6.417 -8.362 -0.557 1.00 0.00 H new ATOM 0 HA LEU A 34 3.747 -7.638 -0.798 1.00 0.00 H new ATOM 0 HB2 LEU A 34 4.284 -7.957 -3.316 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.028 -6.678 -2.376 1.00 0.00 H new ATOM 0 HG LEU A 34 6.831 -8.730 -2.040 1.00 0.00 H new ATOM 0 HD11 LEU A 34 7.228 -9.666 -4.274 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.642 -10.152 -3.629 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.747 -8.878 -4.867 1.00 0.00 H new ATOM 0 HD21 LEU A 34 8.210 -7.482 -3.638 1.00 0.00 H new ATOM 0 HD22 LEU A 34 6.764 -6.614 -4.206 1.00 0.00 H new ATOM 0 HD23 LEU A 34 7.334 -6.395 -2.535 1.00 0.00 H new ATOM 493 N SER A 35 4.324 -10.763 -1.626 1.00 0.00 N ATOM 494 CA SER A 35 3.645 -12.030 -1.829 1.00 0.00 C ATOM 495 C SER A 35 2.619 -12.216 -0.717 1.00 0.00 C ATOM 496 O SER A 35 1.531 -12.746 -0.930 1.00 0.00 O ATOM 497 CB SER A 35 4.648 -13.179 -1.802 1.00 0.00 C ATOM 498 OG SER A 35 5.646 -13.011 -2.794 1.00 0.00 O ATOM 0 H SER A 35 5.342 -10.821 -1.593 1.00 0.00 H new ATOM 0 HA SER A 35 3.150 -12.027 -2.800 1.00 0.00 H new ATOM 0 HB2 SER A 35 5.115 -13.235 -0.819 1.00 0.00 H new ATOM 0 HB3 SER A 35 4.128 -14.123 -1.962 1.00 0.00 H new ATOM 0 HG SER A 35 6.283 -12.325 -2.504 1.00 0.00 H new ATOM 504 N SER A 36 3.002 -11.757 0.472 1.00 0.00 N ATOM 505 CA SER A 36 2.159 -11.833 1.671 1.00 0.00 C ATOM 506 C SER A 36 0.748 -11.262 1.439 1.00 0.00 C ATOM 507 O SER A 36 -0.245 -11.899 1.796 1.00 0.00 O ATOM 508 CB SER A 36 2.839 -11.097 2.833 1.00 0.00 C ATOM 509 OG SER A 36 2.459 -11.646 4.083 1.00 0.00 O ATOM 0 H SER A 36 3.909 -11.319 0.636 1.00 0.00 H new ATOM 0 HA SER A 36 2.041 -12.888 1.917 1.00 0.00 H new ATOM 0 HB2 SER A 36 3.922 -11.157 2.721 1.00 0.00 H new ATOM 0 HB3 SER A 36 2.574 -10.040 2.802 1.00 0.00 H new ATOM 0 HG SER A 36 2.909 -11.159 4.805 1.00 0.00 H new ATOM 515 N LEU A 37 0.651 -10.063 0.853 1.00 0.00 N ATOM 516 CA LEU A 37 -0.670 -9.460 0.592 1.00 0.00 C ATOM 517 C LEU A 37 -1.412 -10.351 -0.369 1.00 0.00 C ATOM 518 O LEU A 37 -2.553 -10.745 -0.134 1.00 0.00 O ATOM 519 CB LEU A 37 -0.578 -8.046 -0.002 1.00 0.00 C ATOM 520 CG LEU A 37 -1.830 -7.573 -0.741 1.00 0.00 C ATOM 521 CD1 LEU A 37 -2.984 -7.392 0.220 1.00 0.00 C ATOM 522 CD2 LEU A 37 -1.567 -6.294 -1.498 1.00 0.00 C ATOM 0 H LEU A 37 1.447 -9.499 0.555 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.190 -9.370 1.546 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.362 -7.343 0.803 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.267 -8.011 -0.690 1.00 0.00 H new ATOM 0 HG LEU A 37 -2.100 -8.343 -1.464 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.864 -7.055 -0.328 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.202 -8.341 0.709 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.718 -6.649 0.972 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.476 -5.983 -2.013 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.260 -5.515 -0.800 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.775 -6.460 -2.228 1.00 0.00 H new ATOM 534 N SER A 38 -0.734 -10.659 -1.461 1.00 0.00 N ATOM 535 CA SER A 38 -1.272 -11.529 -2.484 1.00 0.00 C ATOM 536 C SER A 38 -1.398 -12.955 -1.943 1.00 0.00 C ATOM 537 O SER A 38 -1.810 -13.872 -2.652 1.00 0.00 O ATOM 538 CB SER A 38 -0.359 -11.490 -3.713 1.00 0.00 C ATOM 539 OG SER A 38 0.128 -12.780 -4.037 1.00 0.00 O ATOM 0 H SER A 38 0.204 -10.312 -1.660 1.00 0.00 H new ATOM 0 HA SER A 38 -2.266 -11.187 -2.774 1.00 0.00 H new ATOM 0 HB2 SER A 38 -0.907 -11.083 -4.562 1.00 0.00 H new ATOM 0 HB3 SER A 38 0.480 -10.820 -3.524 1.00 0.00 H new ATOM 0 HG SER A 38 0.826 -12.704 -4.721 1.00 0.00 H new ATOM 545 N ALA A 39 -1.041 -13.115 -0.671 1.00 0.00 N ATOM 546 CA ALA A 39 -1.101 -14.408 0.004 1.00 0.00 C ATOM 547 C ALA A 39 -2.281 -14.455 0.967 1.00 0.00 C ATOM 548 O ALA A 39 -2.615 -15.516 1.492 1.00 0.00 O ATOM 549 CB ALA A 39 0.199 -14.681 0.744 1.00 0.00 C ATOM 0 H ALA A 39 -0.703 -12.354 -0.081 1.00 0.00 H new ATOM 0 HA ALA A 39 -1.241 -15.183 -0.749 1.00 0.00 H new ATOM 0 HB1 ALA A 39 0.138 -15.649 1.242 1.00 0.00 H new ATOM 0 HB2 ALA A 39 1.027 -14.689 0.035 1.00 0.00 H new ATOM 0 HB3 ALA A 39 0.366 -13.901 1.487 1.00 0.00 H new ATOM 555 N SER A 40 -2.876 -13.277 1.201 1.00 0.00 N ATOM 556 CA SER A 40 -4.052 -13.115 2.069 1.00 0.00 C ATOM 557 C SER A 40 -3.687 -12.802 3.515 1.00 0.00 C ATOM 558 O SER A 40 -2.911 -13.515 4.150 1.00 0.00 O ATOM 559 CB SER A 40 -4.966 -14.346 2.026 1.00 0.00 C ATOM 560 OG SER A 40 -4.599 -15.295 3.014 1.00 0.00 O ATOM 0 H SER A 40 -2.552 -12.402 0.790 1.00 0.00 H new ATOM 0 HA SER A 40 -4.590 -12.256 1.668 1.00 0.00 H new ATOM 0 HB2 SER A 40 -6.000 -14.039 2.180 1.00 0.00 H new ATOM 0 HB3 SER A 40 -4.914 -14.806 1.039 1.00 0.00 H new ATOM 0 HG SER A 40 -3.684 -15.603 2.848 1.00 0.00 H new ATOM 566 N SER A 41 -4.268 -11.713 4.018 1.00 0.00 N ATOM 567 CA SER A 41 -4.074 -11.288 5.398 1.00 0.00 C ATOM 568 C SER A 41 -5.435 -11.162 6.057 1.00 0.00 C ATOM 569 O SER A 41 -6.371 -10.634 5.462 1.00 0.00 O ATOM 570 CB SER A 41 -3.347 -9.942 5.473 1.00 0.00 C ATOM 571 OG SER A 41 -2.300 -9.877 4.520 1.00 0.00 O ATOM 0 H SER A 41 -4.884 -11.104 3.479 1.00 0.00 H new ATOM 0 HA SER A 41 -3.460 -12.029 5.911 1.00 0.00 H new ATOM 0 HB2 SER A 41 -4.055 -9.132 5.297 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.941 -9.799 6.475 1.00 0.00 H new ATOM 0 HG SER A 41 -2.656 -9.559 3.664 1.00 0.00 H new ATOM 577 N ALA A 42 -5.538 -11.640 7.284 1.00 0.00 N ATOM 578 CA ALA A 42 -6.798 -11.592 8.023 1.00 0.00 C ATOM 579 C ALA A 42 -7.311 -10.163 8.141 1.00 0.00 C ATOM 580 O ALA A 42 -8.441 -9.924 8.570 1.00 0.00 O ATOM 581 CB ALA A 42 -6.616 -12.196 9.404 1.00 0.00 C ATOM 0 H ALA A 42 -4.766 -12.068 7.795 1.00 0.00 H new ATOM 0 HA ALA A 42 -7.537 -12.173 7.472 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -7.561 -12.155 9.946 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -6.297 -13.234 9.308 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.859 -11.633 9.951 1.00 0.00 H new ATOM 587 N ALA A 43 -6.472 -9.220 7.743 1.00 0.00 N ATOM 588 CA ALA A 43 -6.799 -7.810 7.828 1.00 0.00 C ATOM 589 C ALA A 43 -7.540 -7.290 6.606 1.00 0.00 C ATOM 590 O ALA A 43 -8.666 -6.829 6.731 1.00 0.00 O ATOM 591 CB ALA A 43 -5.523 -7.015 8.058 1.00 0.00 C ATOM 0 H ALA A 43 -5.549 -9.412 7.354 1.00 0.00 H new ATOM 0 HA ALA A 43 -7.481 -7.683 8.668 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.762 -5.954 8.123 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -5.055 -7.339 8.988 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -4.836 -7.182 7.229 1.00 0.00 H new ATOM 597 N CYS A 44 -6.916 -7.365 5.438 1.00 0.00 N ATOM 598 CA CYS A 44 -7.533 -6.864 4.209 1.00 0.00 C ATOM 599 C CYS A 44 -9.018 -7.206 4.124 1.00 0.00 C ATOM 600 O CYS A 44 -9.810 -6.445 3.566 1.00 0.00 O ATOM 601 CB CYS A 44 -6.789 -7.383 2.985 1.00 0.00 C ATOM 602 SG CYS A 44 -5.661 -8.774 3.319 1.00 0.00 S ATOM 0 H CYS A 44 -5.987 -7.766 5.312 1.00 0.00 H new ATOM 0 HA CYS A 44 -7.457 -5.777 4.232 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -7.518 -7.695 2.238 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -6.216 -6.564 2.549 1.00 0.00 H new ATOM 607 N ILE A 45 -9.389 -8.348 4.669 1.00 0.00 N ATOM 608 CA ILE A 45 -10.781 -8.766 4.662 1.00 0.00 C ATOM 609 C ILE A 45 -11.535 -8.121 5.822 1.00 0.00 C ATOM 610 O ILE A 45 -12.623 -7.523 5.653 1.00 0.00 O ATOM 611 CB ILE A 45 -10.920 -10.297 4.718 1.00 0.00 C ATOM 612 CG1 ILE A 45 -9.626 -10.971 4.259 1.00 0.00 C ATOM 613 CG2 ILE A 45 -12.083 -10.752 3.848 1.00 0.00 C ATOM 614 CD1 ILE A 45 -8.959 -11.796 5.338 1.00 0.00 C ATOM 0 H ILE A 45 -8.750 -9.002 5.121 1.00 0.00 H new ATOM 0 HA ILE A 45 -11.219 -8.431 3.722 1.00 0.00 H new ATOM 0 HB ILE A 45 -11.116 -10.588 5.750 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -9.843 -11.612 3.405 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -8.930 -10.206 3.915 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -12.171 -11.837 3.896 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -13.006 -10.297 4.207 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -11.906 -10.448 2.816 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -8.048 -12.244 4.942 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -8.710 -11.156 6.184 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -9.638 -12.583 5.666 1.00 0.00 H new ATOM 626 N ALA A 46 -10.930 -8.192 7.005 1.00 0.00 N ATOM 627 CA ALA A 46 -11.553 -7.584 8.177 1.00 0.00 C ATOM 628 C ALA A 46 -11.725 -6.114 7.857 1.00 0.00 C ATOM 629 O ALA A 46 -12.537 -5.379 8.434 1.00 0.00 O ATOM 630 CB ALA A 46 -10.698 -7.787 9.418 1.00 0.00 C ATOM 0 H ALA A 46 -10.035 -8.650 7.176 1.00 0.00 H new ATOM 0 HA ALA A 46 -12.516 -8.047 8.395 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -11.186 -7.324 10.276 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.573 -8.854 9.603 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -9.721 -7.329 9.266 1.00 0.00 H new ATOM 636 N ALA A 47 -10.944 -5.732 6.870 1.00 0.00 N ATOM 637 CA ALA A 47 -10.913 -4.398 6.355 1.00 0.00 C ATOM 638 C ALA A 47 -12.188 -4.099 5.598 1.00 0.00 C ATOM 639 O ALA A 47 -12.801 -3.052 5.799 1.00 0.00 O ATOM 640 CB ALA A 47 -9.717 -4.265 5.442 1.00 0.00 C ATOM 0 H ALA A 47 -10.299 -6.365 6.397 1.00 0.00 H new ATOM 0 HA ALA A 47 -10.833 -3.685 7.176 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -9.677 -3.253 5.040 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -8.806 -4.468 6.004 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -9.804 -4.978 4.622 1.00 0.00 H new ATOM 646 N VAL A 48 -12.601 -5.039 4.744 1.00 0.00 N ATOM 647 CA VAL A 48 -13.809 -4.860 3.949 1.00 0.00 C ATOM 648 C VAL A 48 -14.887 -4.236 4.793 1.00 0.00 C ATOM 649 O VAL A 48 -15.677 -3.421 4.321 1.00 0.00 O ATOM 650 CB VAL A 48 -14.352 -6.194 3.397 1.00 0.00 C ATOM 651 CG1 VAL A 48 -15.500 -5.950 2.429 1.00 0.00 C ATOM 652 CG2 VAL A 48 -13.253 -6.999 2.731 1.00 0.00 C ATOM 0 H VAL A 48 -12.118 -5.924 4.589 1.00 0.00 H new ATOM 0 HA VAL A 48 -13.541 -4.218 3.110 1.00 0.00 H new ATOM 0 HB VAL A 48 -14.730 -6.774 4.239 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -15.867 -6.905 2.052 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -16.306 -5.429 2.945 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -15.150 -5.341 1.595 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -13.666 -7.934 2.352 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -12.832 -6.426 1.905 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -12.470 -7.216 3.457 1.00 0.00 H new ATOM 662 N GLY A 49 -14.916 -4.635 6.042 1.00 0.00 N ATOM 663 CA GLY A 49 -15.920 -4.102 6.948 1.00 0.00 C ATOM 664 C GLY A 49 -15.563 -2.809 7.680 1.00 0.00 C ATOM 665 O GLY A 49 -16.463 -2.076 8.082 1.00 0.00 O ATOM 0 H GLY A 49 -14.273 -5.312 6.453 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -16.835 -3.931 6.380 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -16.145 -4.865 7.694 1.00 0.00 H new ATOM 669 N GLU A 50 -14.283 -2.489 7.838 1.00 0.00 N ATOM 670 CA GLU A 50 -13.912 -1.323 8.654 1.00 0.00 C ATOM 671 C GLU A 50 -13.505 0.003 7.950 1.00 0.00 C ATOM 672 O GLU A 50 -12.689 0.726 8.506 1.00 0.00 O ATOM 673 CB GLU A 50 -12.892 -1.710 9.712 1.00 0.00 C ATOM 674 CG GLU A 50 -12.891 -0.749 10.882 1.00 0.00 C ATOM 675 CD GLU A 50 -13.741 -1.233 12.040 1.00 0.00 C ATOM 676 OE1 GLU A 50 -13.214 -1.975 12.895 1.00 0.00 O ATOM 677 OE2 GLU A 50 -14.935 -0.870 12.093 1.00 0.00 O ATOM 0 H GLU A 50 -13.500 -2.999 7.428 1.00 0.00 H new ATOM 0 HA GLU A 50 -14.871 -1.048 9.093 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -13.107 -2.717 10.071 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -11.898 -1.736 9.264 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -11.867 -0.603 11.225 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -13.258 0.222 10.549 1.00 0.00 H new ATOM 684 N LEU A 51 -13.920 0.264 6.704 1.00 0.00 N ATOM 685 CA LEU A 51 -13.652 1.581 6.044 1.00 0.00 C ATOM 686 C LEU A 51 -12.604 1.503 4.972 1.00 0.00 C ATOM 687 O LEU A 51 -11.388 1.408 5.241 1.00 0.00 O ATOM 688 CB LEU A 51 -13.308 2.700 7.016 1.00 0.00 C ATOM 689 CG LEU A 51 -13.464 4.107 6.439 1.00 0.00 C ATOM 690 CD1 LEU A 51 -14.930 4.451 6.207 1.00 0.00 C ATOM 691 CD2 LEU A 51 -12.797 5.141 7.336 1.00 0.00 C ATOM 0 H LEU A 51 -14.437 -0.399 6.126 1.00 0.00 H new ATOM 0 HA LEU A 51 -14.604 1.832 5.577 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -13.944 2.609 7.896 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -12.279 2.570 7.352 1.00 0.00 H new ATOM 0 HG LEU A 51 -12.962 4.125 5.471 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -15.007 5.458 5.796 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -15.364 3.739 5.505 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -15.469 4.403 7.153 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -12.922 6.133 6.903 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -13.256 5.116 8.324 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -11.734 4.915 7.424 1.00 0.00 H new ATOM 703 N GLY A 52 -13.127 1.581 3.744 1.00 0.00 N ATOM 704 CA GLY A 52 -12.348 1.473 2.542 1.00 0.00 C ATOM 705 C GLY A 52 -11.440 0.313 2.648 1.00 0.00 C ATOM 706 O GLY A 52 -10.521 0.142 1.852 1.00 0.00 O ATOM 0 H GLY A 52 -14.122 1.724 3.572 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -13.004 1.357 1.679 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -11.773 2.386 2.385 1.00 0.00 H new ATOM 710 N LEU A 53 -11.756 -0.480 3.657 1.00 0.00 N ATOM 711 CA LEU A 53 -11.036 -1.657 4.015 1.00 0.00 C ATOM 712 C LEU A 53 -10.037 -1.287 5.092 1.00 0.00 C ATOM 713 O LEU A 53 -8.844 -1.553 4.951 1.00 0.00 O ATOM 714 CB LEU A 53 -10.354 -2.322 2.815 1.00 0.00 C ATOM 715 CG LEU A 53 -11.252 -2.683 1.612 1.00 0.00 C ATOM 716 CD1 LEU A 53 -11.023 -4.124 1.174 1.00 0.00 C ATOM 717 CD2 LEU A 53 -12.725 -2.449 1.924 1.00 0.00 C ATOM 0 H LEU A 53 -12.556 -0.301 4.264 1.00 0.00 H new ATOM 0 HA LEU A 53 -11.737 -2.401 4.393 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -9.565 -1.658 2.462 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -9.870 -3.235 3.163 1.00 0.00 H new ATOM 0 HG LEU A 53 -10.975 -2.023 0.790 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -11.667 -4.353 0.325 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -9.981 -4.255 0.884 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -11.257 -4.797 1.999 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -13.327 -2.714 1.055 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -13.020 -3.067 2.772 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -12.883 -1.399 2.169 1.00 0.00 H new ATOM 729 N ASP A 54 -10.544 -0.665 6.180 1.00 0.00 N ATOM 730 CA ASP A 54 -9.697 -0.242 7.290 1.00 0.00 C ATOM 731 C ASP A 54 -8.260 -0.235 6.864 1.00 0.00 C ATOM 732 O ASP A 54 -7.639 -1.289 6.822 1.00 0.00 O ATOM 733 CB ASP A 54 -9.836 -1.198 8.458 1.00 0.00 C ATOM 734 CG ASP A 54 -9.816 -0.492 9.799 1.00 0.00 C ATOM 735 OD1 ASP A 54 -10.197 0.697 9.853 1.00 0.00 O ATOM 736 OD2 ASP A 54 -9.418 -1.128 10.798 1.00 0.00 O ATOM 0 H ASP A 54 -11.534 -0.451 6.302 1.00 0.00 H new ATOM 0 HA ASP A 54 -10.010 0.758 7.590 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -10.769 -1.753 8.358 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -9.026 -1.927 8.424 1.00 0.00 H new ATOM 741 N VAL A 55 -7.727 0.918 6.524 1.00 0.00 N ATOM 742 CA VAL A 55 -6.329 0.953 6.093 1.00 0.00 C ATOM 743 C VAL A 55 -5.448 0.064 6.964 1.00 0.00 C ATOM 744 O VAL A 55 -4.677 -0.723 6.414 1.00 0.00 O ATOM 745 CB VAL A 55 -5.714 2.368 6.001 1.00 0.00 C ATOM 746 CG1 VAL A 55 -4.839 2.701 7.207 1.00 0.00 C ATOM 747 CG2 VAL A 55 -4.908 2.476 4.714 1.00 0.00 C ATOM 0 H VAL A 55 -8.210 1.816 6.532 1.00 0.00 H new ATOM 0 HA VAL A 55 -6.355 0.563 5.075 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.529 3.092 5.996 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -4.431 3.705 7.094 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.439 2.653 8.116 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -4.022 1.983 7.273 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -4.470 3.472 4.641 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.113 1.730 4.719 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -5.562 2.304 3.859 1.00 0.00 H new ATOM 757 N PRO A 56 -5.559 0.136 8.327 1.00 0.00 N ATOM 758 CA PRO A 56 -4.731 -0.687 9.207 1.00 0.00 C ATOM 759 C PRO A 56 -4.894 -2.152 8.872 1.00 0.00 C ATOM 760 O PRO A 56 -4.088 -2.992 9.273 1.00 0.00 O ATOM 761 CB PRO A 56 -5.259 -0.393 10.619 1.00 0.00 C ATOM 762 CG PRO A 56 -6.593 0.232 10.412 1.00 0.00 C ATOM 763 CD PRO A 56 -6.501 0.968 9.109 1.00 0.00 C ATOM 0 HA PRO A 56 -3.669 -0.463 9.107 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -5.339 -1.307 11.208 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -4.589 0.277 11.159 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -7.378 -0.523 10.380 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -6.838 0.911 11.229 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -7.472 1.047 8.620 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -6.128 1.983 9.244 1.00 0.00 H new ATOM 771 N LEU A 57 -5.990 -2.462 8.195 1.00 0.00 N ATOM 772 CA LEU A 57 -6.249 -3.815 7.775 1.00 0.00 C ATOM 773 C LEU A 57 -5.836 -4.078 6.322 1.00 0.00 C ATOM 774 O LEU A 57 -4.891 -4.813 6.077 1.00 0.00 O ATOM 775 CB LEU A 57 -7.712 -4.179 7.990 1.00 0.00 C ATOM 776 CG LEU A 57 -8.222 -4.035 9.429 1.00 0.00 C ATOM 777 CD1 LEU A 57 -9.682 -4.441 9.522 1.00 0.00 C ATOM 778 CD2 LEU A 57 -7.381 -4.867 10.387 1.00 0.00 C ATOM 0 H LEU A 57 -6.709 -1.789 7.929 1.00 0.00 H new ATOM 0 HA LEU A 57 -5.628 -4.457 8.400 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -8.324 -3.552 7.341 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -7.863 -5.210 7.671 1.00 0.00 H new ATOM 0 HG LEU A 57 -8.134 -2.987 9.715 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -10.025 -4.332 10.551 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -10.279 -3.803 8.871 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -9.791 -5.480 9.211 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -7.761 -4.749 11.402 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -7.434 -5.917 10.099 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.345 -4.531 10.347 1.00 0.00 H new ATOM 790 N ASP A 58 -6.549 -3.464 5.365 1.00 0.00 N ATOM 791 CA ASP A 58 -6.301 -3.691 3.931 1.00 0.00 C ATOM 792 C ASP A 58 -5.026 -3.104 3.380 1.00 0.00 C ATOM 793 O ASP A 58 -4.181 -3.842 2.894 1.00 0.00 O ATOM 794 CB ASP A 58 -7.449 -3.150 3.113 1.00 0.00 C ATOM 795 CG ASP A 58 -7.188 -3.192 1.620 1.00 0.00 C ATOM 796 OD1 ASP A 58 -6.249 -3.896 1.197 1.00 0.00 O ATOM 797 OD2 ASP A 58 -7.924 -2.515 0.873 1.00 0.00 O ATOM 0 H ASP A 58 -7.303 -2.805 5.558 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.201 -4.773 3.851 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.348 -3.725 3.335 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.647 -2.121 3.412 1.00 0.00 H new ATOM 802 N LEU A 59 -4.887 -1.796 3.409 1.00 0.00 N ATOM 803 CA LEU A 59 -3.701 -1.202 2.843 1.00 0.00 C ATOM 804 C LEU A 59 -2.541 -1.506 3.715 1.00 0.00 C ATOM 805 O LEU A 59 -1.412 -1.236 3.369 1.00 0.00 O ATOM 806 CB LEU A 59 -3.851 0.269 2.555 1.00 0.00 C ATOM 807 CG LEU A 59 -4.099 0.564 1.080 1.00 0.00 C ATOM 808 CD1 LEU A 59 -2.811 0.524 0.288 1.00 0.00 C ATOM 809 CD2 LEU A 59 -5.109 -0.417 0.485 1.00 0.00 C ATOM 0 H LEU A 59 -5.561 -1.141 3.807 1.00 0.00 H new ATOM 0 HA LEU A 59 -3.528 -1.648 1.864 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -4.678 0.667 3.144 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -2.950 0.791 2.878 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.512 1.571 1.016 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.021 0.738 -0.760 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.120 1.270 0.679 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.362 -0.466 0.373 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.267 -0.183 -0.568 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.727 -1.434 0.578 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.055 -0.335 1.020 1.00 0.00 H new ATOM 821 N ALA A 60 -2.866 -1.974 4.893 1.00 0.00 N ATOM 822 CA ALA A 60 -1.874 -2.398 5.840 1.00 0.00 C ATOM 823 C ALA A 60 -1.566 -3.852 5.536 1.00 0.00 C ATOM 824 O ALA A 60 -0.470 -4.330 5.777 1.00 0.00 O ATOM 825 CB ALA A 60 -2.377 -2.218 7.244 1.00 0.00 C ATOM 0 H ALA A 60 -3.827 -2.071 5.220 1.00 0.00 H new ATOM 0 HA ALA A 60 -0.967 -1.799 5.758 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -1.612 -2.544 7.949 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -2.605 -1.166 7.417 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.279 -2.813 7.386 1.00 0.00 H new ATOM 831 N CYS A 61 -2.583 -4.547 5.016 1.00 0.00 N ATOM 832 CA CYS A 61 -2.442 -5.929 4.573 1.00 0.00 C ATOM 833 C CYS A 61 -1.595 -5.867 3.313 1.00 0.00 C ATOM 834 O CYS A 61 -0.722 -6.698 3.041 1.00 0.00 O ATOM 835 CB CYS A 61 -3.823 -6.528 4.255 1.00 0.00 C ATOM 836 SG CYS A 61 -3.804 -7.956 3.124 1.00 0.00 S ATOM 0 H CYS A 61 -3.521 -4.165 4.893 1.00 0.00 H new ATOM 0 HA CYS A 61 -1.985 -6.556 5.339 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -4.294 -6.831 5.190 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -4.449 -5.748 3.820 1.00 0.00 H new ATOM 841 N ALA A 62 -1.851 -4.796 2.580 1.00 0.00 N ATOM 842 CA ALA A 62 -1.170 -4.512 1.345 1.00 0.00 C ATOM 843 C ALA A 62 0.183 -3.867 1.620 1.00 0.00 C ATOM 844 O ALA A 62 1.188 -4.231 1.005 1.00 0.00 O ATOM 845 CB ALA A 62 -2.047 -3.620 0.484 1.00 0.00 C ATOM 0 H ALA A 62 -2.547 -4.096 2.836 1.00 0.00 H new ATOM 0 HA ALA A 62 -0.984 -5.441 0.806 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -1.535 -3.402 -0.453 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -2.988 -4.129 0.274 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -2.248 -2.688 1.013 1.00 0.00 H new ATOM 851 N ALA A 63 0.197 -2.906 2.550 1.00 0.00 N ATOM 852 CA ALA A 63 1.429 -2.230 2.941 1.00 0.00 C ATOM 853 C ALA A 63 2.338 -3.238 3.578 1.00 0.00 C ATOM 854 O ALA A 63 3.553 -3.196 3.421 1.00 0.00 O ATOM 855 CB ALA A 63 1.163 -1.100 3.917 1.00 0.00 C ATOM 0 H ALA A 63 -0.634 -2.582 3.044 1.00 0.00 H new ATOM 0 HA ALA A 63 1.888 -1.796 2.053 1.00 0.00 H new ATOM 0 HB1 ALA A 63 2.105 -0.621 4.185 1.00 0.00 H new ATOM 0 HB2 ALA A 63 0.502 -0.367 3.454 1.00 0.00 H new ATOM 0 HB3 ALA A 63 0.691 -1.498 4.815 1.00 0.00 H new ATOM 861 N THR A 64 1.723 -4.166 4.296 1.00 0.00 N ATOM 862 CA THR A 64 2.484 -5.226 4.932 1.00 0.00 C ATOM 863 C THR A 64 2.916 -6.198 3.857 1.00 0.00 C ATOM 864 O THR A 64 3.359 -7.311 4.145 1.00 0.00 O ATOM 865 CB THR A 64 1.719 -5.981 6.059 1.00 0.00 C ATOM 866 OG1 THR A 64 2.655 -6.676 6.891 1.00 0.00 O ATOM 867 CG2 THR A 64 0.705 -6.985 5.510 1.00 0.00 C ATOM 0 H THR A 64 0.716 -4.206 4.450 1.00 0.00 H new ATOM 0 HA THR A 64 3.336 -4.762 5.429 1.00 0.00 H new ATOM 0 HB THR A 64 1.170 -5.232 6.631 1.00 0.00 H new ATOM 0 HG1 THR A 64 3.281 -7.180 6.330 1.00 0.00 H new ATOM 0 HG21 THR A 64 0.201 -7.483 6.338 1.00 0.00 H new ATOM 0 HG22 THR A 64 -0.031 -6.462 4.899 1.00 0.00 H new ATOM 0 HG23 THR A 64 1.221 -7.727 4.901 1.00 0.00 H new ATOM 875 N ALA A 65 2.780 -5.763 2.598 1.00 0.00 N ATOM 876 CA ALA A 65 3.136 -6.607 1.482 1.00 0.00 C ATOM 877 C ALA A 65 3.336 -5.856 0.150 1.00 0.00 C ATOM 878 O ALA A 65 4.377 -5.254 -0.067 1.00 0.00 O ATOM 879 CB ALA A 65 2.090 -7.673 1.341 1.00 0.00 C ATOM 0 H ALA A 65 2.429 -4.840 2.342 1.00 0.00 H new ATOM 0 HA ALA A 65 4.112 -7.040 1.703 1.00 0.00 H new ATOM 0 HB1 ALA A 65 2.342 -8.321 0.502 1.00 0.00 H new ATOM 0 HB2 ALA A 65 2.047 -8.264 2.256 1.00 0.00 H new ATOM 0 HB3 ALA A 65 1.120 -7.209 1.163 1.00 0.00 H new ATOM 885 N THR A 66 2.341 -5.908 -0.752 1.00 0.00 N ATOM 886 CA THR A 66 2.490 -5.298 -2.086 1.00 0.00 C ATOM 887 C THR A 66 2.235 -3.802 -2.121 1.00 0.00 C ATOM 888 O THR A 66 3.031 -3.077 -2.711 1.00 0.00 O ATOM 889 CB THR A 66 1.599 -5.957 -3.156 1.00 0.00 C ATOM 890 OG1 THR A 66 0.324 -5.322 -3.183 1.00 0.00 O ATOM 891 CG2 THR A 66 1.425 -7.440 -2.901 1.00 0.00 C ATOM 0 H THR A 66 1.440 -6.357 -0.587 1.00 0.00 H new ATOM 0 HA THR A 66 3.540 -5.476 -2.318 1.00 0.00 H new ATOM 0 HB THR A 66 2.092 -5.836 -4.121 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.035 -5.208 -4.112 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.791 -7.870 -3.676 1.00 0.00 H new ATOM 0 HG22 THR A 66 2.399 -7.929 -2.917 1.00 0.00 H new ATOM 0 HG23 THR A 66 0.960 -7.590 -1.927 1.00 0.00 H new ATOM 899 N SER A 67 1.141 -3.310 -1.524 1.00 0.00 N ATOM 900 CA SER A 67 0.918 -1.856 -1.552 1.00 0.00 C ATOM 901 C SER A 67 2.238 -1.252 -1.181 1.00 0.00 C ATOM 902 O SER A 67 2.606 -0.149 -1.586 1.00 0.00 O ATOM 903 CB SER A 67 -0.178 -1.387 -0.611 1.00 0.00 C ATOM 904 OG SER A 67 -0.228 0.025 -0.588 1.00 0.00 O ATOM 0 H SER A 67 0.431 -3.860 -1.040 1.00 0.00 H new ATOM 0 HA SER A 67 0.572 -1.548 -2.539 1.00 0.00 H new ATOM 0 HB2 SER A 67 -1.140 -1.787 -0.932 1.00 0.00 H new ATOM 0 HB3 SER A 67 0.007 -1.768 0.393 1.00 0.00 H new ATOM 0 HG SER A 67 -0.354 0.333 0.334 1.00 0.00 H new ATOM 910 N SER A 68 2.921 -2.038 -0.366 1.00 0.00 N ATOM 911 CA SER A 68 4.259 -1.810 0.024 1.00 0.00 C ATOM 912 C SER A 68 4.477 -0.747 1.055 1.00 0.00 C ATOM 913 O SER A 68 4.331 0.445 0.811 1.00 0.00 O ATOM 914 CB SER A 68 5.123 -1.557 -1.190 1.00 0.00 C ATOM 915 OG SER A 68 6.404 -1.097 -0.807 1.00 0.00 O ATOM 0 H SER A 68 2.522 -2.881 0.046 1.00 0.00 H new ATOM 0 HA SER A 68 4.555 -2.731 0.526 1.00 0.00 H new ATOM 0 HB2 SER A 68 5.220 -2.474 -1.771 1.00 0.00 H new ATOM 0 HB3 SER A 68 4.645 -0.820 -1.835 1.00 0.00 H new ATOM 0 HG SER A 68 6.418 -0.117 -0.823 1.00 0.00 H new ATOM 921 N ALA A 69 4.840 -1.242 2.212 1.00 0.00 N ATOM 922 CA ALA A 69 5.199 -0.426 3.352 1.00 0.00 C ATOM 923 C ALA A 69 5.252 -1.291 4.595 1.00 0.00 C ATOM 924 O ALA A 69 4.768 -0.915 5.663 1.00 0.00 O ATOM 925 CB ALA A 69 4.246 0.740 3.543 1.00 0.00 C ATOM 0 H ALA A 69 4.896 -2.244 2.394 1.00 0.00 H new ATOM 0 HA ALA A 69 6.184 0.003 3.167 1.00 0.00 H new ATOM 0 HB1 ALA A 69 4.555 1.324 4.410 1.00 0.00 H new ATOM 0 HB2 ALA A 69 4.262 1.372 2.655 1.00 0.00 H new ATOM 0 HB3 ALA A 69 3.236 0.362 3.701 1.00 0.00 H new ATOM 931 N THR A 70 5.852 -2.459 4.432 1.00 0.00 N ATOM 932 CA THR A 70 5.978 -3.414 5.516 1.00 0.00 C ATOM 933 C THR A 70 7.293 -3.222 6.251 1.00 0.00 C ATOM 934 O THR A 70 8.343 -3.692 5.819 1.00 0.00 O ATOM 935 CB THR A 70 5.871 -4.868 5.010 1.00 0.00 C ATOM 936 OG1 THR A 70 6.837 -5.694 5.665 1.00 0.00 O ATOM 937 CG2 THR A 70 6.065 -4.944 3.505 1.00 0.00 C ATOM 0 H THR A 70 6.262 -2.768 3.551 1.00 0.00 H new ATOM 0 HA THR A 70 5.153 -3.231 6.204 1.00 0.00 H new ATOM 0 HB THR A 70 4.870 -5.229 5.245 1.00 0.00 H new ATOM 0 HG1 THR A 70 7.017 -6.485 5.116 1.00 0.00 H new ATOM 0 HG21 THR A 70 5.984 -5.981 3.180 1.00 0.00 H new ATOM 0 HG22 THR A 70 5.300 -4.347 3.009 1.00 0.00 H new ATOM 0 HG23 THR A 70 7.051 -4.558 3.245 1.00 0.00 H new ATOM 945 N GLU A 71 7.214 -2.515 7.367 1.00 0.00 N ATOM 946 CA GLU A 71 8.377 -2.238 8.194 1.00 0.00 C ATOM 947 C GLU A 71 8.963 -3.528 8.755 1.00 0.00 C ATOM 948 O GLU A 71 9.995 -3.520 9.428 1.00 0.00 O ATOM 949 CB GLU A 71 7.970 -1.268 9.308 1.00 0.00 C ATOM 950 CG GLU A 71 9.005 -1.099 10.412 1.00 0.00 C ATOM 951 CD GLU A 71 8.588 -0.073 11.447 1.00 0.00 C ATOM 952 OE1 GLU A 71 8.812 1.133 11.212 1.00 0.00 O ATOM 953 OE2 GLU A 71 8.039 -0.475 12.495 1.00 0.00 O ATOM 0 H GLU A 71 6.345 -2.118 7.724 1.00 0.00 H new ATOM 0 HA GLU A 71 9.158 -1.775 7.591 1.00 0.00 H new ATOM 0 HB2 GLU A 71 7.767 -0.293 8.866 1.00 0.00 H new ATOM 0 HB3 GLU A 71 7.038 -1.617 9.752 1.00 0.00 H new ATOM 0 HG2 GLU A 71 9.169 -2.059 10.902 1.00 0.00 H new ATOM 0 HG3 GLU A 71 9.956 -0.800 9.971 1.00 0.00 H new ATOM 960 N ALA A 72 8.313 -4.645 8.450 1.00 0.00 N ATOM 961 CA ALA A 72 8.772 -5.933 8.934 1.00 0.00 C ATOM 962 C ALA A 72 9.608 -6.681 7.893 1.00 0.00 C ATOM 963 O ALA A 72 10.527 -7.417 8.252 1.00 0.00 O ATOM 964 CB ALA A 72 7.590 -6.782 9.379 1.00 0.00 C ATOM 0 H ALA A 72 7.472 -4.681 7.873 1.00 0.00 H new ATOM 0 HA ALA A 72 9.421 -5.745 9.790 1.00 0.00 H new ATOM 0 HB1 ALA A 72 7.950 -7.746 9.740 1.00 0.00 H new ATOM 0 HB2 ALA A 72 7.056 -6.271 10.180 1.00 0.00 H new ATOM 0 HB3 ALA A 72 6.917 -6.938 8.536 1.00 0.00 H new ATOM 970 N CYS A 73 9.298 -6.498 6.607 1.00 0.00 N ATOM 971 CA CYS A 73 10.048 -7.177 5.547 1.00 0.00 C ATOM 972 C CYS A 73 10.833 -6.186 4.727 1.00 0.00 C ATOM 973 O CYS A 73 11.523 -6.568 3.784 1.00 0.00 O ATOM 974 CB CYS A 73 9.126 -7.917 4.579 1.00 0.00 C ATOM 975 SG CYS A 73 7.728 -8.778 5.358 1.00 0.00 S ATOM 0 H CYS A 73 8.544 -5.895 6.277 1.00 0.00 H new ATOM 0 HA CYS A 73 10.707 -7.884 6.051 1.00 0.00 H new ATOM 0 HB2 CYS A 73 8.735 -7.202 3.855 1.00 0.00 H new ATOM 0 HB3 CYS A 73 9.717 -8.644 4.022 1.00 0.00 H new ATOM 980 N LYS A 74 10.735 -4.919 5.080 1.00 0.00 N ATOM 981 CA LYS A 74 11.397 -3.903 4.300 1.00 0.00 C ATOM 982 C LYS A 74 12.907 -3.999 4.323 1.00 0.00 C ATOM 983 O LYS A 74 13.484 -5.080 4.200 1.00 0.00 O ATOM 984 CB LYS A 74 10.951 -2.501 4.680 1.00 0.00 C ATOM 985 CG LYS A 74 11.143 -1.511 3.540 1.00 0.00 C ATOM 986 CD LYS A 74 11.944 -0.321 3.982 1.00 0.00 C ATOM 987 CE LYS A 74 13.293 -0.172 3.319 1.00 0.00 C ATOM 988 NZ LYS A 74 14.341 0.271 4.280 1.00 0.00 N ATOM 0 H LYS A 74 10.213 -4.577 5.887 1.00 0.00 H new ATOM 0 HA LYS A 74 11.085 -4.100 3.274 1.00 0.00 H new ATOM 0 HB2 LYS A 74 9.900 -2.521 4.969 1.00 0.00 H new ATOM 0 HB3 LYS A 74 11.515 -2.165 5.550 1.00 0.00 H new ATOM 0 HG2 LYS A 74 11.647 -2.003 2.709 1.00 0.00 H new ATOM 0 HG3 LYS A 74 10.171 -1.182 3.173 1.00 0.00 H new ATOM 0 HD2 LYS A 74 11.362 0.580 3.791 1.00 0.00 H new ATOM 0 HD3 LYS A 74 12.092 -0.383 5.060 1.00 0.00 H new ATOM 0 HE2 LYS A 74 13.586 -1.124 2.876 1.00 0.00 H new ATOM 0 HE3 LYS A 74 13.219 0.549 2.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 15.278 -0.004 3.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 14.300 1.305 4.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 14.177 -0.178 5.204 1.00 0.00 H new ATOM 1002 N GLY A 75 13.539 -2.853 4.483 1.00 0.00 N ATOM 1003 CA GLY A 75 14.963 -2.796 4.407 1.00 0.00 C ATOM 1004 C GLY A 75 15.301 -2.882 2.948 1.00 0.00 C ATOM 1005 O GLY A 75 16.443 -3.124 2.561 1.00 0.00 O ATOM 0 H GLY A 75 13.081 -1.960 4.665 1.00 0.00 H new ATOM 0 HA2 GLY A 75 15.341 -1.870 4.841 1.00 0.00 H new ATOM 0 HA3 GLY A 75 15.417 -3.617 4.962 1.00 0.00 H new ATOM 1009 N CYS A 76 14.252 -2.670 2.129 1.00 0.00 N ATOM 1010 CA CYS A 76 14.370 -2.762 0.704 1.00 0.00 C ATOM 1011 C CYS A 76 13.256 -2.036 -0.084 1.00 0.00 C ATOM 1012 O CYS A 76 13.549 -1.155 -0.886 1.00 0.00 O ATOM 1013 CB CYS A 76 14.320 -4.241 0.323 1.00 0.00 C ATOM 1014 SG CYS A 76 15.923 -5.107 0.352 1.00 0.00 S ATOM 0 H CYS A 76 13.316 -2.433 2.457 1.00 0.00 H new ATOM 0 HA CYS A 76 15.309 -2.275 0.440 1.00 0.00 H new ATOM 0 HB2 CYS A 76 13.638 -4.751 1.003 1.00 0.00 H new ATOM 0 HB3 CYS A 76 13.897 -4.327 -0.678 1.00 0.00 H new ATOM 1019 N LEU A 77 11.980 -2.349 0.189 1.00 0.00 N ATOM 1020 CA LEU A 77 10.884 -1.860 -0.680 1.00 0.00 C ATOM 1021 C LEU A 77 9.821 -0.904 -0.089 1.00 0.00 C ATOM 1022 O LEU A 77 8.867 -0.597 -0.797 1.00 0.00 O ATOM 1023 CB LEU A 77 10.168 -3.114 -1.192 1.00 0.00 C ATOM 1024 CG LEU A 77 9.007 -2.905 -2.173 1.00 0.00 C ATOM 1025 CD1 LEU A 77 9.507 -2.343 -3.482 1.00 0.00 C ATOM 1026 CD2 LEU A 77 8.265 -4.208 -2.405 1.00 0.00 C ATOM 0 H LEU A 77 11.681 -2.921 0.979 1.00 0.00 H new ATOM 0 HA LEU A 77 11.373 -1.235 -1.427 1.00 0.00 H new ATOM 0 HB2 LEU A 77 10.908 -3.752 -1.675 1.00 0.00 H new ATOM 0 HB3 LEU A 77 9.788 -3.662 -0.330 1.00 0.00 H new ATOM 0 HG LEU A 77 8.316 -2.186 -1.734 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.667 -2.203 -4.162 1.00 0.00 H new ATOM 0 HD12 LEU A 77 9.994 -1.384 -3.304 1.00 0.00 H new ATOM 0 HD13 LEU A 77 10.222 -3.036 -3.926 1.00 0.00 H new ATOM 0 HD21 LEU A 77 7.445 -4.040 -3.103 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.950 -4.948 -2.820 1.00 0.00 H new ATOM 0 HD23 LEU A 77 7.867 -4.573 -1.458 1.00 0.00 H new ATOM 1038 N TRP A 78 9.948 -0.401 1.135 1.00 0.00 N ATOM 1039 CA TRP A 78 8.890 0.483 1.681 1.00 0.00 C ATOM 1040 C TRP A 78 8.195 1.292 0.584 1.00 0.00 C ATOM 1041 O TRP A 78 8.886 2.034 -0.139 1.00 0.00 O ATOM 1042 CB TRP A 78 9.418 1.444 2.753 1.00 0.00 C ATOM 1043 CG TRP A 78 9.208 0.964 4.156 1.00 0.00 C ATOM 1044 CD1 TRP A 78 8.381 -0.024 4.579 1.00 0.00 C ATOM 1045 CD2 TRP A 78 9.906 1.418 5.308 1.00 0.00 C ATOM 1046 NE1 TRP A 78 8.521 -0.215 5.926 1.00 0.00 N ATOM 1047 CE2 TRP A 78 9.456 0.664 6.395 1.00 0.00 C ATOM 1048 CE3 TRP A 78 10.874 2.389 5.510 1.00 0.00 C ATOM 1049 CZ2 TRP A 78 9.949 0.849 7.672 1.00 0.00 C ATOM 1050 CZ3 TRP A 78 11.367 2.583 6.784 1.00 0.00 C ATOM 1051 CH2 TRP A 78 10.903 1.810 7.854 1.00 0.00 C ATOM 1052 OXT TRP A 78 6.958 1.171 0.460 1.00 0.00 O ATOM 0 H TRP A 78 10.737 -0.573 1.758 1.00 0.00 H new ATOM 0 HA TRP A 78 8.166 -0.188 2.144 1.00 0.00 H new ATOM 0 HB2 TRP A 78 10.484 1.604 2.590 1.00 0.00 H new ATOM 0 HB3 TRP A 78 8.929 2.411 2.633 1.00 0.00 H new ATOM 0 HD1 TRP A 78 7.708 -0.580 3.943 1.00 0.00 H new ATOM 0 HE1 TRP A 78 8.013 -0.899 6.486 1.00 0.00 H new ATOM 0 HE3 TRP A 78 11.236 2.984 4.684 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 9.592 0.254 8.499 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 12.119 3.339 6.957 1.00 0.00 H new ATOM 0 HH2 TRP A 78 11.306 1.976 8.842 1.00 0.00 H new ATOM 1109 N SER B 4 6.704 10.323 1.599 1.00 0.00 N ATOM 1110 CA SER B 4 7.396 9.065 1.869 1.00 0.00 C ATOM 1111 C SER B 4 6.452 7.898 1.640 1.00 0.00 C ATOM 1112 O SER B 4 5.307 8.102 1.257 1.00 0.00 O ATOM 1113 CB SER B 4 7.902 9.034 3.307 1.00 0.00 C ATOM 1114 OG SER B 4 8.803 7.961 3.510 1.00 0.00 O ATOM 0 HA SER B 4 8.247 8.985 1.192 1.00 0.00 H new ATOM 0 HB2 SER B 4 8.396 9.977 3.542 1.00 0.00 H new ATOM 0 HB3 SER B 4 7.058 8.938 3.990 1.00 0.00 H new ATOM 0 HG SER B 4 9.113 7.966 4.440 1.00 0.00 H new ATOM 1120 N VAL B 5 6.926 6.679 1.869 1.00 0.00 N ATOM 1121 CA VAL B 5 6.079 5.510 1.687 1.00 0.00 C ATOM 1122 C VAL B 5 5.100 5.377 2.856 1.00 0.00 C ATOM 1123 O VAL B 5 3.888 5.298 2.651 1.00 0.00 O ATOM 1124 CB VAL B 5 6.895 4.200 1.516 1.00 0.00 C ATOM 1125 CG1 VAL B 5 8.370 4.495 1.259 1.00 0.00 C ATOM 1126 CG2 VAL B 5 6.712 3.264 2.710 1.00 0.00 C ATOM 0 H VAL B 5 7.877 6.477 2.176 1.00 0.00 H new ATOM 0 HA VAL B 5 5.523 5.661 0.762 1.00 0.00 H new ATOM 0 HB VAL B 5 6.505 3.685 0.638 1.00 0.00 H new ATOM 0 HG11 VAL B 5 8.914 3.557 1.144 1.00 0.00 H new ATOM 0 HG12 VAL B 5 8.470 5.086 0.349 1.00 0.00 H new ATOM 0 HG13 VAL B 5 8.782 5.052 2.101 1.00 0.00 H new ATOM 0 HG21 VAL B 5 7.298 2.358 2.555 1.00 0.00 H new ATOM 0 HG22 VAL B 5 7.049 3.763 3.619 1.00 0.00 H new ATOM 0 HG23 VAL B 5 5.658 3.002 2.809 1.00 0.00 H new ATOM 1136 N GLY B 6 5.629 5.366 4.082 1.00 0.00 N ATOM 1137 CA GLY B 6 4.782 5.239 5.252 1.00 0.00 C ATOM 1138 C GLY B 6 3.880 6.443 5.425 1.00 0.00 C ATOM 1139 O GLY B 6 2.700 6.304 5.751 1.00 0.00 O ATOM 0 H GLY B 6 6.626 5.443 4.281 1.00 0.00 H new ATOM 0 HA2 GLY B 6 4.174 4.339 5.165 1.00 0.00 H new ATOM 0 HA3 GLY B 6 5.403 5.119 6.140 1.00 0.00 H new ATOM 1143 N ASP B 7 4.439 7.628 5.202 1.00 0.00 N ATOM 1144 CA ASP B 7 3.674 8.862 5.308 1.00 0.00 C ATOM 1145 C ASP B 7 2.592 8.886 4.244 1.00 0.00 C ATOM 1146 O ASP B 7 1.480 9.361 4.481 1.00 0.00 O ATOM 1147 CB ASP B 7 4.593 10.072 5.142 1.00 0.00 C ATOM 1148 CG ASP B 7 5.579 10.215 6.285 1.00 0.00 C ATOM 1149 OD1 ASP B 7 6.587 9.478 6.295 1.00 0.00 O ATOM 1150 OD2 ASP B 7 5.344 11.067 7.169 1.00 0.00 O ATOM 0 H ASP B 7 5.418 7.758 4.947 1.00 0.00 H new ATOM 0 HA ASP B 7 3.212 8.907 6.294 1.00 0.00 H new ATOM 0 HB2 ASP B 7 5.140 9.982 4.204 1.00 0.00 H new ATOM 0 HB3 ASP B 7 3.988 10.976 5.073 1.00 0.00 H new ATOM 1155 N ALA B 8 2.935 8.375 3.066 1.00 0.00 N ATOM 1156 CA ALA B 8 1.997 8.311 1.961 1.00 0.00 C ATOM 1157 C ALA B 8 0.711 7.659 2.410 1.00 0.00 C ATOM 1158 O ALA B 8 -0.382 8.164 2.161 1.00 0.00 O ATOM 1159 CB ALA B 8 2.577 7.502 0.826 1.00 0.00 C ATOM 0 H ALA B 8 3.860 7.999 2.856 1.00 0.00 H new ATOM 0 HA ALA B 8 1.800 9.328 1.623 1.00 0.00 H new ATOM 0 HB1 ALA B 8 1.862 7.463 0.004 1.00 0.00 H new ATOM 0 HB2 ALA B 8 3.500 7.968 0.482 1.00 0.00 H new ATOM 0 HB3 ALA B 8 2.788 6.490 1.171 1.00 0.00 H new ATOM 1165 N PHE B 9 0.865 6.519 3.074 1.00 0.00 N ATOM 1166 CA PHE B 9 -0.259 5.764 3.568 1.00 0.00 C ATOM 1167 C PHE B 9 -1.163 6.641 4.417 1.00 0.00 C ATOM 1168 O PHE B 9 -2.328 6.789 4.106 1.00 0.00 O ATOM 1169 CB PHE B 9 0.226 4.549 4.343 1.00 0.00 C ATOM 1170 CG PHE B 9 0.423 3.367 3.454 1.00 0.00 C ATOM 1171 CD1 PHE B 9 -0.618 2.495 3.191 1.00 0.00 C ATOM 1172 CD2 PHE B 9 1.645 3.146 2.854 1.00 0.00 C ATOM 1173 CE1 PHE B 9 -0.437 1.424 2.342 1.00 0.00 C ATOM 1174 CE2 PHE B 9 1.831 2.076 2.012 1.00 0.00 C ATOM 1175 CZ PHE B 9 0.792 1.215 1.753 1.00 0.00 C ATOM 0 H PHE B 9 1.773 6.101 3.280 1.00 0.00 H new ATOM 0 HA PHE B 9 -0.847 5.411 2.721 1.00 0.00 H new ATOM 0 HB2 PHE B 9 1.164 4.788 4.843 1.00 0.00 H new ATOM 0 HB3 PHE B 9 -0.496 4.302 5.121 1.00 0.00 H new ATOM 0 HD1 PHE B 9 -1.580 2.654 3.654 1.00 0.00 H new ATOM 0 HD2 PHE B 9 2.465 3.822 3.048 1.00 0.00 H new ATOM 0 HE1 PHE B 9 -1.256 0.750 2.139 1.00 0.00 H new ATOM 0 HE2 PHE B 9 2.795 1.912 1.553 1.00 0.00 H new ATOM 0 HZ PHE B 9 0.938 0.376 1.089 1.00 0.00 H new ATOM 1185 N ASP B 10 -0.607 7.303 5.427 1.00 0.00 N ATOM 1186 CA ASP B 10 -1.415 8.144 6.310 1.00 0.00 C ATOM 1187 C ASP B 10 -2.393 8.973 5.485 1.00 0.00 C ATOM 1188 O ASP B 10 -3.603 8.997 5.748 1.00 0.00 O ATOM 1189 CB ASP B 10 -0.507 9.059 7.128 1.00 0.00 C ATOM 1190 CG ASP B 10 -0.457 8.669 8.593 1.00 0.00 C ATOM 1191 OD1 ASP B 10 -1.338 9.114 9.357 1.00 0.00 O ATOM 1192 OD2 ASP B 10 0.465 7.918 8.975 1.00 0.00 O ATOM 0 H ASP B 10 0.387 7.276 5.655 1.00 0.00 H new ATOM 0 HA ASP B 10 -1.981 7.508 6.991 1.00 0.00 H new ATOM 0 HB2 ASP B 10 0.501 9.031 6.713 1.00 0.00 H new ATOM 0 HB3 ASP B 10 -0.859 10.087 7.041 1.00 0.00 H new ATOM 1197 N LYS B 11 -1.853 9.614 4.464 1.00 0.00 N ATOM 1198 CA LYS B 11 -2.643 10.429 3.554 1.00 0.00 C ATOM 1199 C LYS B 11 -3.648 9.547 2.816 1.00 0.00 C ATOM 1200 O LYS B 11 -4.829 9.877 2.710 1.00 0.00 O ATOM 1201 CB LYS B 11 -1.718 11.132 2.556 1.00 0.00 C ATOM 1202 CG LYS B 11 -2.267 12.443 2.017 1.00 0.00 C ATOM 1203 CD LYS B 11 -3.508 12.215 1.177 1.00 0.00 C ATOM 1204 CE LYS B 11 -4.095 13.525 0.675 1.00 0.00 C ATOM 1205 NZ LYS B 11 -3.123 14.290 -0.152 1.00 0.00 N ATOM 0 H LYS B 11 -0.858 9.586 4.241 1.00 0.00 H new ATOM 0 HA LYS B 11 -3.187 11.184 4.121 1.00 0.00 H new ATOM 0 HB2 LYS B 11 -0.759 11.323 3.038 1.00 0.00 H new ATOM 0 HB3 LYS B 11 -1.526 10.460 1.720 1.00 0.00 H new ATOM 0 HG2 LYS B 11 -2.504 13.109 2.847 1.00 0.00 H new ATOM 0 HG3 LYS B 11 -1.505 12.940 1.417 1.00 0.00 H new ATOM 0 HD2 LYS B 11 -3.261 11.578 0.328 1.00 0.00 H new ATOM 0 HD3 LYS B 11 -4.255 11.684 1.767 1.00 0.00 H new ATOM 0 HE2 LYS B 11 -4.989 13.320 0.087 1.00 0.00 H new ATOM 0 HE3 LYS B 11 -4.405 14.133 1.525 1.00 0.00 H new ATOM 0 HZ1 LYS B 11 -3.616 15.066 -0.639 1.00 0.00 H new ATOM 0 HZ2 LYS B 11 -2.379 14.682 0.460 1.00 0.00 H new ATOM 0 HZ3 LYS B 11 -2.693 13.657 -0.857 1.00 0.00 H new ATOM 1219 N TYR B 12 -3.160 8.416 2.320 1.00 0.00 N ATOM 1220 CA TYR B 12 -3.984 7.463 1.593 1.00 0.00 C ATOM 1221 C TYR B 12 -5.138 6.968 2.422 1.00 0.00 C ATOM 1222 O TYR B 12 -6.287 7.136 2.060 1.00 0.00 O ATOM 1223 CB TYR B 12 -3.184 6.227 1.200 1.00 0.00 C ATOM 1224 CG TYR B 12 -3.905 5.370 0.179 1.00 0.00 C ATOM 1225 CD1 TYR B 12 -4.738 5.946 -0.777 1.00 0.00 C ATOM 1226 CD2 TYR B 12 -3.766 3.986 0.174 1.00 0.00 C ATOM 1227 CE1 TYR B 12 -5.409 5.173 -1.703 1.00 0.00 C ATOM 1228 CE2 TYR B 12 -4.436 3.212 -0.749 1.00 0.00 C ATOM 1229 CZ TYR B 12 -5.256 3.805 -1.683 1.00 0.00 C ATOM 1230 OH TYR B 12 -5.924 3.028 -2.602 1.00 0.00 O ATOM 0 H TYR B 12 -2.183 8.136 2.411 1.00 0.00 H new ATOM 0 HA TYR B 12 -4.343 8.000 0.715 1.00 0.00 H new ATOM 0 HB2 TYR B 12 -2.220 6.536 0.795 1.00 0.00 H new ATOM 0 HB3 TYR B 12 -2.980 5.632 2.090 1.00 0.00 H new ATOM 0 HD1 TYR B 12 -4.861 7.019 -0.794 1.00 0.00 H new ATOM 0 HD2 TYR B 12 -3.125 3.512 0.903 1.00 0.00 H new ATOM 0 HE1 TYR B 12 -6.049 5.638 -2.438 1.00 0.00 H new ATOM 0 HE2 TYR B 12 -4.318 2.139 -0.740 1.00 0.00 H new ATOM 0 HH TYR B 12 -6.883 3.228 -2.564 1.00 0.00 H new ATOM 1240 N ASN B 13 -4.795 6.376 3.548 1.00 0.00 N ATOM 1241 CA ASN B 13 -5.761 5.767 4.445 1.00 0.00 C ATOM 1242 C ASN B 13 -7.027 6.586 4.554 1.00 0.00 C ATOM 1243 O ASN B 13 -8.116 6.090 4.280 1.00 0.00 O ATOM 1244 CB ASN B 13 -5.165 5.615 5.837 1.00 0.00 C ATOM 1245 CG ASN B 13 -3.671 5.318 5.850 1.00 0.00 C ATOM 1246 OD1 ASN B 13 -3.152 4.711 4.783 1.00 0.00 O flip ATOM 1247 ND2 ASN B 13 -2.985 5.631 6.821 1.00 0.00 N flip ATOM 0 H ASN B 13 -3.830 6.302 3.871 1.00 0.00 H new ATOM 0 HA ASN B 13 -6.010 4.792 4.027 1.00 0.00 H new ATOM 0 HB2 ASN B 13 -5.346 6.531 6.399 1.00 0.00 H new ATOM 0 HB3 ASN B 13 -5.688 4.813 6.358 1.00 0.00 H new ATOM 0 HD21 ASN B 13 -3.415 6.095 7.621 1.00 0.00 H new ATOM 0 HD22 ASN B 13 -1.986 5.427 6.826 1.00 0.00 H new ATOM 1254 N GLU B 14 -6.891 7.831 4.958 1.00 0.00 N ATOM 1255 CA GLU B 14 -8.054 8.692 5.082 1.00 0.00 C ATOM 1256 C GLU B 14 -8.804 8.737 3.744 1.00 0.00 C ATOM 1257 O GLU B 14 -10.031 8.672 3.690 1.00 0.00 O ATOM 1258 CB GLU B 14 -7.613 10.097 5.500 1.00 0.00 C ATOM 1259 CG GLU B 14 -7.314 11.009 4.328 1.00 0.00 C ATOM 1260 CD GLU B 14 -6.434 12.185 4.706 1.00 0.00 C ATOM 1261 OE1 GLU B 14 -6.968 13.176 5.246 1.00 0.00 O ATOM 1262 OE2 GLU B 14 -5.212 12.113 4.463 1.00 0.00 O ATOM 0 H GLU B 14 -6.002 8.267 5.204 1.00 0.00 H new ATOM 0 HA GLU B 14 -8.724 8.297 5.846 1.00 0.00 H new ATOM 0 HB2 GLU B 14 -8.395 10.548 6.111 1.00 0.00 H new ATOM 0 HB3 GLU B 14 -6.724 10.019 6.126 1.00 0.00 H new ATOM 0 HG2 GLU B 14 -6.825 10.434 3.542 1.00 0.00 H new ATOM 0 HG3 GLU B 14 -8.252 11.381 3.915 1.00 0.00 H new ATOM 1269 N ALA B 15 -8.025 8.778 2.669 1.00 0.00 N ATOM 1270 CA ALA B 15 -8.536 8.868 1.308 1.00 0.00 C ATOM 1271 C ALA B 15 -9.137 7.568 0.789 1.00 0.00 C ATOM 1272 O ALA B 15 -10.124 7.592 0.053 1.00 0.00 O ATOM 1273 CB ALA B 15 -7.397 9.278 0.388 1.00 0.00 C ATOM 0 H ALA B 15 -7.007 8.749 2.720 1.00 0.00 H new ATOM 0 HA ALA B 15 -9.340 9.604 1.321 1.00 0.00 H new ATOM 0 HB1 ALA B 15 -7.764 9.350 -0.636 1.00 0.00 H new ATOM 0 HB2 ALA B 15 -7.006 10.246 0.702 1.00 0.00 H new ATOM 0 HB3 ALA B 15 -6.603 8.533 0.437 1.00 0.00 H new ATOM 1279 N VAL B 16 -8.552 6.438 1.159 1.00 0.00 N ATOM 1280 CA VAL B 16 -9.016 5.172 0.646 1.00 0.00 C ATOM 1281 C VAL B 16 -10.111 4.595 1.476 1.00 0.00 C ATOM 1282 O VAL B 16 -11.121 4.123 0.955 1.00 0.00 O ATOM 1283 CB VAL B 16 -7.872 4.167 0.474 1.00 0.00 C ATOM 1284 CG1 VAL B 16 -6.890 4.265 1.622 1.00 0.00 C ATOM 1285 CG2 VAL B 16 -8.402 2.749 0.318 1.00 0.00 C ATOM 0 H VAL B 16 -7.765 6.378 1.805 1.00 0.00 H new ATOM 0 HA VAL B 16 -9.428 5.376 -0.342 1.00 0.00 H new ATOM 0 HB VAL B 16 -7.339 4.419 -0.443 1.00 0.00 H new ATOM 0 HG11 VAL B 16 -6.087 3.542 1.477 1.00 0.00 H new ATOM 0 HG12 VAL B 16 -6.471 5.270 1.657 1.00 0.00 H new ATOM 0 HG13 VAL B 16 -7.404 4.053 2.560 1.00 0.00 H new ATOM 0 HG21 VAL B 16 -7.566 2.059 0.198 1.00 0.00 H new ATOM 0 HG22 VAL B 16 -8.974 2.475 1.204 1.00 0.00 H new ATOM 0 HG23 VAL B 16 -9.046 2.696 -0.560 1.00 0.00 H new ATOM 1295 N ARG B 17 -9.907 4.621 2.761 1.00 0.00 N ATOM 1296 CA ARG B 17 -10.884 4.091 3.653 1.00 0.00 C ATOM 1297 C ARG B 17 -12.226 4.711 3.408 1.00 0.00 C ATOM 1298 O ARG B 17 -13.261 4.037 3.449 1.00 0.00 O ATOM 1299 CB ARG B 17 -10.406 4.230 5.092 1.00 0.00 C ATOM 1300 CG ARG B 17 -9.149 3.427 5.376 1.00 0.00 C ATOM 1301 CD ARG B 17 -8.990 2.242 4.437 1.00 0.00 C ATOM 1302 NE ARG B 17 -7.694 2.199 3.845 1.00 0.00 N ATOM 1303 CZ ARG B 17 -7.411 1.417 2.846 1.00 0.00 C ATOM 1304 NH1 ARG B 17 -8.206 0.416 2.528 1.00 0.00 N ATOM 1305 NH2 ARG B 17 -6.311 1.606 2.191 1.00 0.00 N ATOM 0 H ARG B 17 -9.074 5.003 3.209 1.00 0.00 H new ATOM 0 HA ARG B 17 -11.010 3.025 3.464 1.00 0.00 H new ATOM 0 HB2 ARG B 17 -10.216 5.282 5.307 1.00 0.00 H new ATOM 0 HB3 ARG B 17 -11.199 3.905 5.766 1.00 0.00 H new ATOM 0 HG2 ARG B 17 -8.279 4.077 5.286 1.00 0.00 H new ATOM 0 HG3 ARG B 17 -9.175 3.070 6.405 1.00 0.00 H new ATOM 0 HD2 ARG B 17 -9.168 1.318 4.987 1.00 0.00 H new ATOM 0 HD3 ARG B 17 -9.745 2.297 3.653 1.00 0.00 H new ATOM 0 HE ARG B 17 -6.962 2.804 4.219 1.00 0.00 H new ATOM 0 HH11 ARG B 17 -9.055 0.247 3.068 1.00 0.00 H new ATOM 0 HH12 ARG B 17 -7.973 -0.191 1.742 1.00 0.00 H new ATOM 0 HH21 ARG B 17 -5.680 2.360 2.461 1.00 0.00 H new ATOM 0 HH22 ARG B 17 -6.075 1.001 1.405 1.00 0.00 H new ATOM 1319 N VAL B 18 -12.220 5.973 3.089 1.00 0.00 N ATOM 1320 CA VAL B 18 -13.455 6.628 2.818 1.00 0.00 C ATOM 1321 C VAL B 18 -13.980 6.210 1.453 1.00 0.00 C ATOM 1322 O VAL B 18 -15.129 5.843 1.326 1.00 0.00 O ATOM 1323 CB VAL B 18 -13.298 8.154 2.873 1.00 0.00 C ATOM 1324 CG1 VAL B 18 -12.808 8.572 4.250 1.00 0.00 C ATOM 1325 CG2 VAL B 18 -12.342 8.630 1.787 1.00 0.00 C ATOM 0 H VAL B 18 -11.387 6.556 3.012 1.00 0.00 H new ATOM 0 HA VAL B 18 -14.169 6.331 3.586 1.00 0.00 H new ATOM 0 HB VAL B 18 -14.267 8.619 2.693 1.00 0.00 H new ATOM 0 HG11 VAL B 18 -12.698 9.656 4.284 1.00 0.00 H new ATOM 0 HG12 VAL B 18 -13.529 8.257 5.004 1.00 0.00 H new ATOM 0 HG13 VAL B 18 -11.845 8.103 4.451 1.00 0.00 H new ATOM 0 HG21 VAL B 18 -12.242 9.714 1.840 1.00 0.00 H new ATOM 0 HG22 VAL B 18 -11.366 8.168 1.934 1.00 0.00 H new ATOM 0 HG23 VAL B 18 -12.733 8.349 0.809 1.00 0.00 H new ATOM 1335 N PHE B 19 -13.092 6.134 0.469 1.00 0.00 N ATOM 1336 CA PHE B 19 -13.501 5.848 -0.900 1.00 0.00 C ATOM 1337 C PHE B 19 -14.100 4.450 -1.100 1.00 0.00 C ATOM 1338 O PHE B 19 -15.136 4.300 -1.774 1.00 0.00 O ATOM 1339 CB PHE B 19 -12.327 6.179 -1.871 1.00 0.00 C ATOM 1340 CG PHE B 19 -11.337 5.088 -2.248 1.00 0.00 C ATOM 1341 CD1 PHE B 19 -11.727 3.805 -2.565 1.00 0.00 C ATOM 1342 CD2 PHE B 19 -9.990 5.386 -2.305 1.00 0.00 C ATOM 1343 CE1 PHE B 19 -10.802 2.842 -2.911 1.00 0.00 C ATOM 1344 CE2 PHE B 19 -9.056 4.429 -2.650 1.00 0.00 C ATOM 1345 CZ PHE B 19 -9.463 3.152 -2.947 1.00 0.00 C ATOM 0 H PHE B 19 -12.088 6.266 0.593 1.00 0.00 H new ATOM 0 HA PHE B 19 -14.338 6.502 -1.143 1.00 0.00 H new ATOM 0 HB2 PHE B 19 -12.764 6.557 -2.795 1.00 0.00 H new ATOM 0 HB3 PHE B 19 -11.759 6.997 -1.429 1.00 0.00 H new ATOM 0 HD1 PHE B 19 -12.776 3.549 -2.542 1.00 0.00 H new ATOM 0 HD2 PHE B 19 -9.660 6.388 -2.075 1.00 0.00 H new ATOM 0 HE1 PHE B 19 -11.130 1.842 -3.154 1.00 0.00 H new ATOM 0 HE2 PHE B 19 -8.007 4.685 -2.686 1.00 0.00 H new ATOM 0 HZ PHE B 19 -8.737 2.396 -3.207 1.00 0.00 H new ATOM 1355 N THR B 20 -13.529 3.422 -0.486 1.00 0.00 N ATOM 1356 CA THR B 20 -14.043 2.089 -0.736 1.00 0.00 C ATOM 1357 C THR B 20 -15.293 1.786 0.061 1.00 0.00 C ATOM 1358 O THR B 20 -16.299 1.380 -0.521 1.00 0.00 O ATOM 1359 CB THR B 20 -12.999 0.997 -0.516 1.00 0.00 C ATOM 1360 OG1 THR B 20 -12.150 0.920 -1.649 1.00 0.00 O ATOM 1361 CG2 THR B 20 -13.663 -0.344 -0.272 1.00 0.00 C ATOM 0 H THR B 20 -12.743 3.481 0.162 1.00 0.00 H new ATOM 0 HA THR B 20 -14.309 2.085 -1.793 1.00 0.00 H new ATOM 0 HB THR B 20 -12.410 1.249 0.366 1.00 0.00 H new ATOM 0 HG1 THR B 20 -11.581 1.717 -1.686 1.00 0.00 H new ATOM 0 HG21 THR B 20 -12.899 -1.106 -0.118 1.00 0.00 H new ATOM 0 HG22 THR B 20 -14.296 -0.281 0.613 1.00 0.00 H new ATOM 0 HG23 THR B 20 -14.272 -0.611 -1.135 1.00 0.00 H new ATOM 1369 N GLN B 21 -15.267 1.968 1.381 1.00 0.00 N ATOM 1370 CA GLN B 21 -16.471 1.683 2.131 1.00 0.00 C ATOM 1371 C GLN B 21 -17.552 2.648 1.687 1.00 0.00 C ATOM 1372 O GLN B 21 -18.722 2.453 1.979 1.00 0.00 O ATOM 1373 CB GLN B 21 -16.250 1.720 3.644 1.00 0.00 C ATOM 1374 CG GLN B 21 -15.768 0.384 4.233 1.00 0.00 C ATOM 1375 CD GLN B 21 -16.348 -0.827 3.553 1.00 0.00 C ATOM 1376 OE1 GLN B 21 -15.662 -1.293 2.514 1.00 0.00 O flip ATOM 1377 NE2 GLN B 21 -17.393 -1.342 3.953 1.00 0.00 N flip ATOM 0 H GLN B 21 -14.467 2.294 1.923 1.00 0.00 H new ATOM 0 HA GLN B 21 -16.785 0.661 1.919 1.00 0.00 H new ATOM 0 HB2 GLN B 21 -15.518 2.494 3.876 1.00 0.00 H new ATOM 0 HB3 GLN B 21 -17.182 2.006 4.131 1.00 0.00 H new ATOM 0 HG2 GLN B 21 -14.681 0.340 4.167 1.00 0.00 H new ATOM 0 HG3 GLN B 21 -16.024 0.352 5.292 1.00 0.00 H new ATOM 0 HE21 GLN B 21 -17.882 -0.946 4.756 1.00 0.00 H new ATOM 0 HE22 GLN B 21 -17.769 -2.165 3.482 1.00 0.00 H new ATOM 1386 N LEU B 22 -17.158 3.699 0.965 1.00 0.00 N ATOM 1387 CA LEU B 22 -18.140 4.627 0.434 1.00 0.00 C ATOM 1388 C LEU B 22 -19.077 3.835 -0.449 1.00 0.00 C ATOM 1389 O LEU B 22 -20.296 3.978 -0.374 1.00 0.00 O ATOM 1390 CB LEU B 22 -17.496 5.752 -0.396 1.00 0.00 C ATOM 1391 CG LEU B 22 -17.199 7.081 0.329 1.00 0.00 C ATOM 1392 CD1 LEU B 22 -17.918 8.224 -0.357 1.00 0.00 C ATOM 1393 CD2 LEU B 22 -17.565 7.031 1.812 1.00 0.00 C ATOM 0 H LEU B 22 -16.188 3.920 0.742 1.00 0.00 H new ATOM 0 HA LEU B 22 -18.661 5.101 1.265 1.00 0.00 H new ATOM 0 HB2 LEU B 22 -16.560 5.375 -0.807 1.00 0.00 H new ATOM 0 HB3 LEU B 22 -18.151 5.967 -1.240 1.00 0.00 H new ATOM 0 HG LEU B 22 -16.123 7.247 0.273 1.00 0.00 H new ATOM 0 HD11 LEU B 22 -17.700 9.156 0.164 1.00 0.00 H new ATOM 0 HD12 LEU B 22 -17.580 8.299 -1.390 1.00 0.00 H new ATOM 0 HD13 LEU B 22 -18.992 8.041 -0.339 1.00 0.00 H new ATOM 0 HD21 LEU B 22 -17.336 7.991 2.276 1.00 0.00 H new ATOM 0 HD22 LEU B 22 -18.629 6.821 1.917 1.00 0.00 H new ATOM 0 HD23 LEU B 22 -16.990 6.245 2.302 1.00 0.00 H new ATOM 1405 N SER B 23 -18.487 2.976 -1.281 1.00 0.00 N ATOM 1406 CA SER B 23 -19.282 2.142 -2.177 1.00 0.00 C ATOM 1407 C SER B 23 -20.070 1.058 -1.428 1.00 0.00 C ATOM 1408 O SER B 23 -21.268 0.895 -1.664 1.00 0.00 O ATOM 1409 CB SER B 23 -18.399 1.506 -3.259 1.00 0.00 C ATOM 1410 OG SER B 23 -18.064 2.456 -4.256 1.00 0.00 O ATOM 0 H SER B 23 -17.478 2.842 -1.352 1.00 0.00 H new ATOM 0 HA SER B 23 -20.009 2.800 -2.652 1.00 0.00 H new ATOM 0 HB2 SER B 23 -17.490 1.110 -2.807 1.00 0.00 H new ATOM 0 HB3 SER B 23 -18.922 0.664 -3.713 1.00 0.00 H new ATOM 0 HG SER B 23 -17.089 2.522 -4.331 1.00 0.00 H new ATOM 1416 N SER B 24 -19.420 0.315 -0.529 1.00 0.00 N ATOM 1417 CA SER B 24 -20.114 -0.751 0.196 1.00 0.00 C ATOM 1418 C SER B 24 -21.055 -0.209 1.251 1.00 0.00 C ATOM 1419 O SER B 24 -22.231 -0.574 1.276 1.00 0.00 O ATOM 1420 CB SER B 24 -19.131 -1.716 0.833 1.00 0.00 C ATOM 1421 OG SER B 24 -18.126 -1.019 1.532 1.00 0.00 O ATOM 0 H SER B 24 -18.435 0.428 -0.289 1.00 0.00 H new ATOM 0 HA SER B 24 -20.709 -1.287 -0.543 1.00 0.00 H new ATOM 0 HB2 SER B 24 -19.659 -2.382 1.515 1.00 0.00 H new ATOM 0 HB3 SER B 24 -18.678 -2.341 0.064 1.00 0.00 H new ATOM 0 HG SER B 24 -17.338 -1.593 1.631 1.00 0.00 H new ATOM 1427 N ALA B 25 -20.541 0.637 2.137 1.00 0.00 N ATOM 1428 CA ALA B 25 -21.372 1.228 3.171 1.00 0.00 C ATOM 1429 C ALA B 25 -22.629 1.769 2.515 1.00 0.00 C ATOM 1430 O ALA B 25 -23.707 1.773 3.103 1.00 0.00 O ATOM 1431 CB ALA B 25 -20.623 2.333 3.912 1.00 0.00 C ATOM 0 H ALA B 25 -19.563 0.925 2.158 1.00 0.00 H new ATOM 0 HA ALA B 25 -21.635 0.472 3.911 1.00 0.00 H new ATOM 0 HB1 ALA B 25 -21.269 2.758 4.680 1.00 0.00 H new ATOM 0 HB2 ALA B 25 -19.729 1.918 4.378 1.00 0.00 H new ATOM 0 HB3 ALA B 25 -20.335 3.113 3.207 1.00 0.00 H new ATOM 1437 N ALA B 26 -22.466 2.188 1.262 1.00 0.00 N ATOM 1438 CA ALA B 26 -23.568 2.720 0.476 1.00 0.00 C ATOM 1439 C ALA B 26 -24.639 1.659 0.226 1.00 0.00 C ATOM 1440 O ALA B 26 -25.831 1.946 0.344 1.00 0.00 O ATOM 1441 CB ALA B 26 -23.059 3.281 -0.846 1.00 0.00 C ATOM 0 H ALA B 26 -21.573 2.167 0.770 1.00 0.00 H new ATOM 0 HA ALA B 26 -24.024 3.527 1.049 1.00 0.00 H new ATOM 0 HB1 ALA B 26 -23.897 3.675 -1.421 1.00 0.00 H new ATOM 0 HB2 ALA B 26 -22.345 4.081 -0.651 1.00 0.00 H new ATOM 0 HB3 ALA B 26 -22.570 2.489 -1.413 1.00 0.00 H new ATOM 1447 N ASN B 27 -24.228 0.433 -0.120 1.00 0.00 N ATOM 1448 CA ASN B 27 -25.208 -0.621 -0.379 1.00 0.00 C ATOM 1449 C ASN B 27 -24.685 -2.052 -0.158 1.00 0.00 C ATOM 1450 O ASN B 27 -25.415 -2.886 0.377 1.00 0.00 O ATOM 1451 CB ASN B 27 -25.768 -0.492 -1.801 1.00 0.00 C ATOM 1452 CG ASN B 27 -24.723 -0.091 -2.830 1.00 0.00 C ATOM 1453 OD1 ASN B 27 -23.454 -0.347 -2.536 1.00 0.00 O flip ATOM 1454 ND2 ASN B 27 -25.058 0.456 -3.881 1.00 0.00 N flip ATOM 0 H ASN B 27 -23.252 0.154 -0.224 1.00 0.00 H new ATOM 0 HA ASN B 27 -25.994 -0.469 0.361 1.00 0.00 H new ATOM 0 HB2 ASN B 27 -26.211 -1.443 -2.096 1.00 0.00 H new ATOM 0 HB3 ASN B 27 -26.569 0.247 -1.802 1.00 0.00 H new ATOM 0 HD21 ASN B 27 -26.044 0.636 -4.071 1.00 0.00 H new ATOM 0 HD22 ASN B 27 -24.350 0.729 -4.562 1.00 0.00 H new ATOM 1461 N CYS B 28 -23.441 -2.350 -0.551 1.00 0.00 N ATOM 1462 CA CYS B 28 -22.921 -3.715 -0.408 1.00 0.00 C ATOM 1463 C CYS B 28 -21.452 -3.811 -0.804 1.00 0.00 C ATOM 1464 O CYS B 28 -20.935 -2.932 -1.448 1.00 0.00 O ATOM 1465 CB CYS B 28 -23.744 -4.645 -1.305 1.00 0.00 C ATOM 1466 SG CYS B 28 -22.790 -5.944 -2.150 1.00 0.00 S ATOM 0 H CYS B 28 -22.789 -1.682 -0.961 1.00 0.00 H new ATOM 0 HA CYS B 28 -23.001 -4.004 0.640 1.00 0.00 H new ATOM 0 HB2 CYS B 28 -24.517 -5.119 -0.699 1.00 0.00 H new ATOM 0 HB3 CYS B 28 -24.253 -4.042 -2.057 1.00 0.00 H new ATOM 1471 N ASP B 29 -20.788 -4.886 -0.402 1.00 0.00 N ATOM 1472 CA ASP B 29 -19.385 -5.106 -0.765 1.00 0.00 C ATOM 1473 C ASP B 29 -19.271 -6.281 -1.739 1.00 0.00 C ATOM 1474 O ASP B 29 -20.066 -7.216 -1.665 1.00 0.00 O ATOM 1475 CB ASP B 29 -18.545 -5.388 0.481 1.00 0.00 C ATOM 1476 CG ASP B 29 -19.357 -6.016 1.598 1.00 0.00 C ATOM 1477 OD1 ASP B 29 -19.486 -7.257 1.612 1.00 0.00 O ATOM 1478 OD2 ASP B 29 -19.863 -5.264 2.458 1.00 0.00 O ATOM 0 H ASP B 29 -21.194 -5.622 0.176 1.00 0.00 H new ATOM 0 HA ASP B 29 -19.010 -4.202 -1.245 1.00 0.00 H new ATOM 0 HB2 ASP B 29 -17.721 -6.051 0.218 1.00 0.00 H new ATOM 0 HB3 ASP B 29 -18.103 -4.457 0.836 1.00 0.00 H new ATOM 1483 N TRP B 30 -18.290 -6.250 -2.653 1.00 0.00 N ATOM 1484 CA TRP B 30 -18.144 -7.357 -3.594 1.00 0.00 C ATOM 1485 C TRP B 30 -17.728 -8.597 -2.813 1.00 0.00 C ATOM 1486 O TRP B 30 -18.298 -9.675 -2.990 1.00 0.00 O ATOM 1487 CB TRP B 30 -17.162 -7.041 -4.755 1.00 0.00 C ATOM 1488 CG TRP B 30 -15.839 -6.507 -4.354 1.00 0.00 C ATOM 1489 CD1 TRP B 30 -14.855 -7.109 -3.637 1.00 0.00 C ATOM 1490 CD2 TRP B 30 -15.357 -5.233 -4.715 1.00 0.00 C ATOM 1491 NE1 TRP B 30 -13.802 -6.240 -3.479 1.00 0.00 N ATOM 1492 CE2 TRP B 30 -14.098 -5.077 -4.142 1.00 0.00 C ATOM 1493 CE3 TRP B 30 -15.897 -4.197 -5.460 1.00 0.00 C ATOM 1494 CZ2 TRP B 30 -13.372 -3.912 -4.290 1.00 0.00 C ATOM 1495 CZ3 TRP B 30 -15.181 -3.044 -5.617 1.00 0.00 C ATOM 1496 CH2 TRP B 30 -13.932 -2.900 -5.035 1.00 0.00 C ATOM 0 H TRP B 30 -17.610 -5.496 -2.756 1.00 0.00 H new ATOM 0 HA TRP B 30 -19.103 -7.533 -4.082 1.00 0.00 H new ATOM 0 HB2 TRP B 30 -17.005 -7.953 -5.331 1.00 0.00 H new ATOM 0 HB3 TRP B 30 -17.637 -6.321 -5.421 1.00 0.00 H new ATOM 0 HD1 TRP B 30 -14.894 -8.117 -3.250 1.00 0.00 H new ATOM 0 HE1 TRP B 30 -12.946 -6.428 -2.957 1.00 0.00 H new ATOM 0 HE3 TRP B 30 -16.873 -4.300 -5.911 1.00 0.00 H new ATOM 0 HZ2 TRP B 30 -12.398 -3.799 -3.837 1.00 0.00 H new ATOM 0 HZ3 TRP B 30 -15.594 -2.235 -6.202 1.00 0.00 H new ATOM 0 HH2 TRP B 30 -13.388 -1.977 -5.169 1.00 0.00 H new ATOM 1507 N ALA B 31 -16.754 -8.403 -1.916 1.00 0.00 N ATOM 1508 CA ALA B 31 -16.245 -9.453 -1.035 1.00 0.00 C ATOM 1509 C ALA B 31 -15.462 -10.519 -1.795 1.00 0.00 C ATOM 1510 O ALA B 31 -14.410 -10.979 -1.351 1.00 0.00 O ATOM 1511 CB ALA B 31 -17.395 -10.083 -0.274 1.00 0.00 C ATOM 0 H ALA B 31 -16.294 -7.502 -1.782 1.00 0.00 H new ATOM 0 HA ALA B 31 -15.551 -8.989 -0.334 1.00 0.00 H new ATOM 0 HB1 ALA B 31 -17.012 -10.865 0.382 1.00 0.00 H new ATOM 0 HB2 ALA B 31 -17.896 -9.322 0.324 1.00 0.00 H new ATOM 0 HB3 ALA B 31 -18.104 -10.516 -0.979 1.00 0.00 H new ATOM 1517 N ALA B 32 -15.986 -10.911 -2.937 1.00 0.00 N ATOM 1518 CA ALA B 32 -15.349 -11.927 -3.760 1.00 0.00 C ATOM 1519 C ALA B 32 -14.072 -11.397 -4.398 1.00 0.00 C ATOM 1520 O ALA B 32 -13.050 -12.087 -4.445 1.00 0.00 O ATOM 1521 CB ALA B 32 -16.313 -12.418 -4.830 1.00 0.00 C ATOM 0 H ALA B 32 -16.856 -10.542 -3.321 1.00 0.00 H new ATOM 0 HA ALA B 32 -15.080 -12.764 -3.116 1.00 0.00 H new ATOM 0 HB1 ALA B 32 -15.824 -13.178 -5.439 1.00 0.00 H new ATOM 0 HB2 ALA B 32 -17.196 -12.846 -4.355 1.00 0.00 H new ATOM 0 HB3 ALA B 32 -16.611 -11.582 -5.463 1.00 0.00 H new ATOM 1527 N CYS B 33 -14.130 -10.159 -4.876 1.00 0.00 N ATOM 1528 CA CYS B 33 -12.980 -9.551 -5.525 1.00 0.00 C ATOM 1529 C CYS B 33 -11.854 -9.278 -4.550 1.00 0.00 C ATOM 1530 O CYS B 33 -10.707 -9.581 -4.834 1.00 0.00 O ATOM 1531 CB CYS B 33 -13.365 -8.261 -6.228 1.00 0.00 C ATOM 1532 SG CYS B 33 -12.811 -8.195 -7.965 1.00 0.00 S ATOM 0 H CYS B 33 -14.956 -9.562 -4.826 1.00 0.00 H new ATOM 0 HA CYS B 33 -12.626 -10.270 -6.263 1.00 0.00 H new ATOM 0 HB2 CYS B 33 -14.448 -8.146 -6.195 1.00 0.00 H new ATOM 0 HB3 CYS B 33 -12.938 -7.418 -5.685 1.00 0.00 H new ATOM 1537 N LEU B 34 -12.156 -8.698 -3.406 1.00 0.00 N ATOM 1538 CA LEU B 34 -11.104 -8.417 -2.450 1.00 0.00 C ATOM 1539 C LEU B 34 -10.302 -9.677 -2.175 1.00 0.00 C ATOM 1540 O LEU B 34 -9.075 -9.639 -2.106 1.00 0.00 O ATOM 1541 CB LEU B 34 -11.660 -7.801 -1.178 1.00 0.00 C ATOM 1542 CG LEU B 34 -13.034 -8.311 -0.773 1.00 0.00 C ATOM 1543 CD1 LEU B 34 -12.907 -9.357 0.322 1.00 0.00 C ATOM 1544 CD2 LEU B 34 -13.910 -7.157 -0.329 1.00 0.00 C ATOM 0 H LEU B 34 -13.094 -8.418 -3.120 1.00 0.00 H new ATOM 0 HA LEU B 34 -10.429 -7.677 -2.880 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -10.962 -7.992 -0.363 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -11.712 -6.720 -1.307 1.00 0.00 H new ATOM 0 HG LEU B 34 -13.506 -8.782 -1.635 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -13.898 -9.713 0.602 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -12.310 -10.194 -0.041 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -12.421 -8.916 1.192 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -14.891 -7.535 -0.041 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -13.449 -6.658 0.523 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -14.020 -6.447 -1.149 1.00 0.00 H new ATOM 1556 N SER B 35 -10.988 -10.802 -2.042 1.00 0.00 N ATOM 1557 CA SER B 35 -10.303 -12.065 -1.835 1.00 0.00 C ATOM 1558 C SER B 35 -9.276 -12.250 -2.947 1.00 0.00 C ATOM 1559 O SER B 35 -8.185 -12.771 -2.730 1.00 0.00 O ATOM 1560 CB SER B 35 -11.301 -13.219 -1.858 1.00 0.00 C ATOM 1561 OG SER B 35 -12.299 -13.053 -0.866 1.00 0.00 O ATOM 0 H SER B 35 -12.006 -10.865 -2.073 1.00 0.00 H new ATOM 0 HA SER B 35 -9.808 -12.057 -0.864 1.00 0.00 H new ATOM 0 HB2 SER B 35 -11.768 -13.280 -2.841 1.00 0.00 H new ATOM 0 HB3 SER B 35 -10.776 -14.160 -1.696 1.00 0.00 H new ATOM 0 HG SER B 35 -12.940 -12.371 -1.158 1.00 0.00 H new ATOM 1567 N SER B 36 -9.661 -11.796 -4.136 1.00 0.00 N ATOM 1568 CA SER B 36 -8.818 -11.872 -5.337 1.00 0.00 C ATOM 1569 C SER B 36 -7.409 -11.292 -5.106 1.00 0.00 C ATOM 1570 O SER B 36 -6.414 -11.925 -5.461 1.00 0.00 O ATOM 1571 CB SER B 36 -9.501 -11.143 -6.501 1.00 0.00 C ATOM 1572 OG SER B 36 -9.118 -11.694 -7.749 1.00 0.00 O ATOM 0 H SER B 36 -10.569 -11.362 -4.300 1.00 0.00 H new ATOM 0 HA SER B 36 -8.696 -12.927 -5.581 1.00 0.00 H new ATOM 0 HB2 SER B 36 -10.583 -11.208 -6.389 1.00 0.00 H new ATOM 0 HB3 SER B 36 -9.241 -10.085 -6.473 1.00 0.00 H new ATOM 0 HG SER B 36 -9.570 -11.211 -8.472 1.00 0.00 H new ATOM 1578 N LEU B 37 -7.319 -10.091 -4.524 1.00 0.00 N ATOM 1579 CA LEU B 37 -6.001 -9.481 -4.265 1.00 0.00 C ATOM 1580 C LEU B 37 -5.254 -10.365 -3.300 1.00 0.00 C ATOM 1581 O LEU B 37 -4.113 -10.755 -3.534 1.00 0.00 O ATOM 1582 CB LEU B 37 -6.101 -8.066 -3.674 1.00 0.00 C ATOM 1583 CG LEU B 37 -4.851 -7.584 -2.936 1.00 0.00 C ATOM 1584 CD1 LEU B 37 -3.697 -7.399 -3.898 1.00 0.00 C ATOM 1585 CD2 LEU B 37 -5.121 -6.304 -2.184 1.00 0.00 C ATOM 0 H LEU B 37 -8.118 -9.530 -4.228 1.00 0.00 H new ATOM 0 HA LEU B 37 -5.481 -9.392 -5.219 1.00 0.00 H new ATOM 0 HB2 LEU B 37 -6.321 -7.366 -4.480 1.00 0.00 H new ATOM 0 HB3 LEU B 37 -6.946 -8.035 -2.986 1.00 0.00 H new ATOM 0 HG LEU B 37 -4.577 -8.351 -2.211 1.00 0.00 H new ATOM 0 HD11 LEU B 37 -2.819 -7.056 -3.351 1.00 0.00 H new ATOM 0 HD12 LEU B 37 -3.473 -8.348 -4.385 1.00 0.00 H new ATOM 0 HD13 LEU B 37 -3.967 -6.659 -4.652 1.00 0.00 H new ATOM 0 HD21 LEU B 37 -4.214 -5.986 -1.669 1.00 0.00 H new ATOM 0 HD22 LEU B 37 -5.431 -5.529 -2.885 1.00 0.00 H new ATOM 0 HD23 LEU B 37 -5.913 -6.471 -1.454 1.00 0.00 H new ATOM 1597 N SER B 38 -5.931 -10.673 -2.207 1.00 0.00 N ATOM 1598 CA SER B 38 -5.389 -11.537 -1.182 1.00 0.00 C ATOM 1599 C SER B 38 -5.256 -12.963 -1.719 1.00 0.00 C ATOM 1600 O SER B 38 -4.838 -13.877 -1.007 1.00 0.00 O ATOM 1601 CB SER B 38 -6.302 -11.499 0.047 1.00 0.00 C ATOM 1602 OG SER B 38 -6.782 -12.791 0.375 1.00 0.00 O ATOM 0 H SER B 38 -6.871 -10.330 -2.009 1.00 0.00 H new ATOM 0 HA SER B 38 -4.397 -11.189 -0.893 1.00 0.00 H new ATOM 0 HB2 SER B 38 -5.756 -11.086 0.895 1.00 0.00 H new ATOM 0 HB3 SER B 38 -7.144 -10.834 -0.144 1.00 0.00 H new ATOM 0 HG SER B 38 -7.373 -12.732 1.154 1.00 0.00 H new ATOM 1608 N ALA B 39 -5.611 -13.130 -2.990 1.00 0.00 N ATOM 1609 CA ALA B 39 -5.545 -14.425 -3.660 1.00 0.00 C ATOM 1610 C ALA B 39 -4.364 -14.468 -4.623 1.00 0.00 C ATOM 1611 O ALA B 39 -4.024 -15.530 -5.145 1.00 0.00 O ATOM 1612 CB ALA B 39 -6.844 -14.707 -4.400 1.00 0.00 C ATOM 0 H ALA B 39 -5.952 -12.373 -3.583 1.00 0.00 H new ATOM 0 HA ALA B 39 -5.402 -15.197 -2.904 1.00 0.00 H new ATOM 0 HB1 ALA B 39 -6.778 -15.676 -4.894 1.00 0.00 H new ATOM 0 HB2 ALA B 39 -7.672 -14.717 -3.691 1.00 0.00 H new ATOM 0 HB3 ALA B 39 -7.014 -13.930 -5.146 1.00 0.00 H new ATOM 1618 N SER B 40 -3.774 -13.289 -4.861 1.00 0.00 N ATOM 1619 CA SER B 40 -2.600 -13.123 -5.729 1.00 0.00 C ATOM 1620 C SER B 40 -2.967 -12.817 -7.177 1.00 0.00 C ATOM 1621 O SER B 40 -3.741 -13.535 -7.809 1.00 0.00 O ATOM 1622 CB SER B 40 -1.680 -14.349 -5.682 1.00 0.00 C ATOM 1623 OG SER B 40 -2.042 -15.302 -6.668 1.00 0.00 O ATOM 0 H SER B 40 -4.102 -12.414 -4.452 1.00 0.00 H new ATOM 0 HA SER B 40 -2.067 -12.260 -5.331 1.00 0.00 H new ATOM 0 HB2 SER B 40 -0.647 -14.037 -5.836 1.00 0.00 H new ATOM 0 HB3 SER B 40 -1.731 -14.807 -4.694 1.00 0.00 H new ATOM 0 HG SER B 40 -2.860 -15.764 -6.391 1.00 0.00 H new ATOM 1629 N SER B 41 -2.392 -11.726 -7.682 1.00 0.00 N ATOM 1630 CA SER B 41 -2.587 -11.306 -9.063 1.00 0.00 C ATOM 1631 C SER B 41 -1.226 -11.175 -9.724 1.00 0.00 C ATOM 1632 O SER B 41 -0.294 -10.639 -9.129 1.00 0.00 O ATOM 1633 CB SER B 41 -3.322 -9.965 -9.144 1.00 0.00 C ATOM 1634 OG SER B 41 -4.369 -9.901 -8.191 1.00 0.00 O ATOM 0 H SER B 41 -1.780 -11.112 -7.144 1.00 0.00 H new ATOM 0 HA SER B 41 -3.196 -12.052 -9.573 1.00 0.00 H new ATOM 0 HB2 SER B 41 -2.619 -9.150 -8.972 1.00 0.00 H new ATOM 0 HB3 SER B 41 -3.729 -9.829 -10.146 1.00 0.00 H new ATOM 0 HG SER B 41 -4.036 -9.489 -7.367 1.00 0.00 H new ATOM 1640 N ALA B 42 -1.121 -11.655 -10.949 1.00 0.00 N ATOM 1641 CA ALA B 42 0.139 -11.603 -11.688 1.00 0.00 C ATOM 1642 C ALA B 42 0.644 -10.171 -11.811 1.00 0.00 C ATOM 1643 O ALA B 42 1.773 -9.928 -12.241 1.00 0.00 O ATOM 1644 CB ALA B 42 -0.040 -12.213 -13.068 1.00 0.00 C ATOM 0 H ALA B 42 -1.891 -12.087 -11.459 1.00 0.00 H new ATOM 0 HA ALA B 42 0.881 -12.179 -11.135 1.00 0.00 H new ATOM 0 HB1 ALA B 42 0.904 -12.169 -13.610 1.00 0.00 H new ATOM 0 HB2 ALA B 42 -0.354 -13.252 -12.969 1.00 0.00 H new ATOM 0 HB3 ALA B 42 -0.799 -11.656 -13.616 1.00 0.00 H new ATOM 1650 N ALA B 43 -0.200 -9.231 -11.416 1.00 0.00 N ATOM 1651 CA ALA B 43 0.121 -7.821 -11.504 1.00 0.00 C ATOM 1652 C ALA B 43 0.858 -7.293 -10.285 1.00 0.00 C ATOM 1653 O ALA B 43 1.981 -6.826 -10.411 1.00 0.00 O ATOM 1654 CB ALA B 43 -1.159 -7.033 -11.737 1.00 0.00 C ATOM 0 H ALA B 43 -1.123 -9.426 -11.027 1.00 0.00 H new ATOM 0 HA ALA B 43 0.804 -7.694 -12.344 1.00 0.00 H new ATOM 0 HB1 ALA B 43 -0.925 -5.971 -11.804 1.00 0.00 H new ATOM 0 HB2 ALA B 43 -1.625 -7.362 -12.666 1.00 0.00 H new ATOM 0 HB3 ALA B 43 -1.846 -7.201 -10.908 1.00 0.00 H new ATOM 1660 N CYS B 44 0.236 -7.368 -9.116 1.00 0.00 N ATOM 1661 CA CYS B 44 0.849 -6.861 -7.889 1.00 0.00 C ATOM 1662 C CYS B 44 2.335 -7.194 -7.802 1.00 0.00 C ATOM 1663 O CYS B 44 3.124 -6.426 -7.247 1.00 0.00 O ATOM 1664 CB CYS B 44 0.107 -7.381 -6.663 1.00 0.00 C ATOM 1665 SG CYS B 44 -1.013 -8.778 -6.992 1.00 0.00 S ATOM 0 H CYS B 44 -0.691 -7.774 -8.988 1.00 0.00 H new ATOM 0 HA CYS B 44 0.767 -5.774 -7.916 1.00 0.00 H new ATOM 0 HB2 CYS B 44 0.838 -7.687 -5.915 1.00 0.00 H new ATOM 0 HB3 CYS B 44 -0.470 -6.564 -6.230 1.00 0.00 H new ATOM 1670 N ILE B 45 2.714 -8.336 -8.343 1.00 0.00 N ATOM 1671 CA ILE B 45 4.107 -8.747 -8.336 1.00 0.00 C ATOM 1672 C ILE B 45 4.857 -8.101 -9.497 1.00 0.00 C ATOM 1673 O ILE B 45 5.943 -7.497 -9.329 1.00 0.00 O ATOM 1674 CB ILE B 45 4.253 -10.277 -8.387 1.00 0.00 C ATOM 1675 CG1 ILE B 45 2.962 -10.956 -7.926 1.00 0.00 C ATOM 1676 CG2 ILE B 45 5.419 -10.723 -7.516 1.00 0.00 C ATOM 1677 CD1 ILE B 45 2.300 -11.788 -9.002 1.00 0.00 C ATOM 0 H ILE B 45 2.079 -8.996 -8.793 1.00 0.00 H new ATOM 0 HA ILE B 45 4.545 -8.408 -7.397 1.00 0.00 H new ATOM 0 HB ILE B 45 4.450 -10.571 -9.418 1.00 0.00 H new ATOM 0 HG12 ILE B 45 3.182 -11.593 -7.069 1.00 0.00 H new ATOM 0 HG13 ILE B 45 2.262 -10.194 -7.585 1.00 0.00 H new ATOM 0 HG21 ILE B 45 5.512 -11.808 -7.560 1.00 0.00 H new ATOM 0 HG22 ILE B 45 6.339 -10.265 -7.878 1.00 0.00 H new ATOM 0 HG23 ILE B 45 5.242 -10.416 -6.485 1.00 0.00 H new ATOM 0 HD11 ILE B 45 1.391 -12.240 -8.605 1.00 0.00 H new ATOM 0 HD12 ILE B 45 2.049 -11.152 -9.851 1.00 0.00 H new ATOM 0 HD13 ILE B 45 2.983 -12.573 -9.327 1.00 0.00 H new ATOM 1689 N ALA B 46 4.252 -8.179 -10.680 1.00 0.00 N ATOM 1690 CA ALA B 46 4.872 -7.572 -11.854 1.00 0.00 C ATOM 1691 C ALA B 46 5.037 -6.100 -11.538 1.00 0.00 C ATOM 1692 O ALA B 46 5.845 -5.362 -12.118 1.00 0.00 O ATOM 1693 CB ALA B 46 4.019 -7.783 -13.094 1.00 0.00 C ATOM 0 H ALA B 46 3.359 -8.642 -10.849 1.00 0.00 H new ATOM 0 HA ALA B 46 5.837 -8.031 -12.071 1.00 0.00 H new ATOM 0 HB1 ALA B 46 4.505 -7.320 -13.953 1.00 0.00 H new ATOM 0 HB2 ALA B 46 3.900 -8.851 -13.276 1.00 0.00 H new ATOM 0 HB3 ALA B 46 3.040 -7.329 -12.943 1.00 0.00 H new ATOM 1699 N ALA B 47 4.254 -5.718 -10.553 1.00 0.00 N ATOM 1700 CA ALA B 47 4.216 -4.383 -10.043 1.00 0.00 C ATOM 1701 C ALA B 47 5.490 -4.076 -9.287 1.00 0.00 C ATOM 1702 O ALA B 47 6.098 -3.026 -9.492 1.00 0.00 O ATOM 1703 CB ALA B 47 3.020 -4.255 -9.129 1.00 0.00 C ATOM 0 H ALA B 47 3.612 -6.352 -10.078 1.00 0.00 H new ATOM 0 HA ALA B 47 4.131 -3.673 -10.865 1.00 0.00 H new ATOM 0 HB1 ALA B 47 2.974 -3.242 -8.730 1.00 0.00 H new ATOM 0 HB2 ALA B 47 2.109 -4.466 -9.690 1.00 0.00 H new ATOM 0 HB3 ALA B 47 3.112 -4.965 -8.307 1.00 0.00 H new ATOM 1709 N VAL B 48 5.907 -5.011 -8.430 1.00 0.00 N ATOM 1710 CA VAL B 48 7.114 -4.822 -7.636 1.00 0.00 C ATOM 1711 C VAL B 48 8.189 -4.196 -8.481 1.00 0.00 C ATOM 1712 O VAL B 48 8.975 -3.376 -8.012 1.00 0.00 O ATOM 1713 CB VAL B 48 7.663 -6.153 -7.079 1.00 0.00 C ATOM 1714 CG1 VAL B 48 8.811 -5.899 -6.111 1.00 0.00 C ATOM 1715 CG2 VAL B 48 6.569 -6.961 -6.411 1.00 0.00 C ATOM 0 H VAL B 48 5.429 -5.898 -8.272 1.00 0.00 H new ATOM 0 HA VAL B 48 6.843 -4.177 -6.800 1.00 0.00 H new ATOM 0 HB VAL B 48 8.043 -6.735 -7.919 1.00 0.00 H new ATOM 0 HG11 VAL B 48 9.183 -6.850 -5.730 1.00 0.00 H new ATOM 0 HG12 VAL B 48 9.615 -5.376 -6.629 1.00 0.00 H new ATOM 0 HG13 VAL B 48 8.458 -5.289 -5.280 1.00 0.00 H new ATOM 0 HG21 VAL B 48 6.986 -7.893 -6.029 1.00 0.00 H new ATOM 0 HG22 VAL B 48 6.145 -6.388 -5.586 1.00 0.00 H new ATOM 0 HG23 VAL B 48 5.787 -7.185 -7.137 1.00 0.00 H new ATOM 1725 N GLY B 49 8.219 -4.599 -9.729 1.00 0.00 N ATOM 1726 CA GLY B 49 9.222 -4.065 -10.635 1.00 0.00 C ATOM 1727 C GLY B 49 8.859 -2.775 -11.372 1.00 0.00 C ATOM 1728 O GLY B 49 9.756 -2.040 -11.775 1.00 0.00 O ATOM 0 H GLY B 49 7.579 -5.279 -10.139 1.00 0.00 H new ATOM 0 HA2 GLY B 49 10.135 -3.888 -10.067 1.00 0.00 H new ATOM 0 HA3 GLY B 49 9.452 -4.829 -11.378 1.00 0.00 H new ATOM 1732 N GLU B 50 7.577 -2.463 -11.531 1.00 0.00 N ATOM 1733 CA GLU B 50 7.200 -1.300 -12.351 1.00 0.00 C ATOM 1734 C GLU B 50 6.784 0.026 -11.650 1.00 0.00 C ATOM 1735 O GLU B 50 5.965 0.743 -12.209 1.00 0.00 O ATOM 1736 CB GLU B 50 6.181 -1.696 -13.407 1.00 0.00 C ATOM 1737 CG GLU B 50 6.175 -0.738 -14.580 1.00 0.00 C ATOM 1738 CD GLU B 50 7.028 -1.222 -15.736 1.00 0.00 C ATOM 1739 OE1 GLU B 50 6.505 -1.970 -16.588 1.00 0.00 O ATOM 1740 OE2 GLU B 50 8.220 -0.853 -15.790 1.00 0.00 O ATOM 0 H GLU B 50 6.797 -2.976 -11.120 1.00 0.00 H new ATOM 0 HA GLU B 50 8.158 -1.021 -12.790 1.00 0.00 H new ATOM 0 HB2 GLU B 50 6.401 -2.703 -13.763 1.00 0.00 H new ATOM 0 HB3 GLU B 50 5.188 -1.726 -12.959 1.00 0.00 H new ATOM 0 HG2 GLU B 50 5.150 -0.598 -14.924 1.00 0.00 H new ATOM 0 HG3 GLU B 50 6.537 0.236 -14.250 1.00 0.00 H new ATOM 1747 N LEU B 51 7.199 0.293 -10.405 1.00 0.00 N ATOM 1748 CA LEU B 51 6.924 1.610 -9.749 1.00 0.00 C ATOM 1749 C LEU B 51 5.877 1.530 -8.676 1.00 0.00 C ATOM 1750 O LEU B 51 4.661 1.428 -8.946 1.00 0.00 O ATOM 1751 CB LEU B 51 6.573 2.725 -10.724 1.00 0.00 C ATOM 1752 CG LEU B 51 6.722 4.135 -10.153 1.00 0.00 C ATOM 1753 CD1 LEU B 51 8.186 4.486 -9.922 1.00 0.00 C ATOM 1754 CD2 LEU B 51 6.049 5.162 -11.051 1.00 0.00 C ATOM 0 H LEU B 51 7.720 -0.365 -9.826 1.00 0.00 H new ATOM 0 HA LEU B 51 7.876 1.867 -9.283 1.00 0.00 H new ATOM 0 HB2 LEU B 51 7.209 2.634 -11.605 1.00 0.00 H new ATOM 0 HB3 LEU B 51 5.544 2.588 -11.058 1.00 0.00 H new ATOM 0 HG LEU B 51 6.220 4.155 -9.186 1.00 0.00 H new ATOM 0 HD11 LEU B 51 8.259 5.495 -9.516 1.00 0.00 H new ATOM 0 HD12 LEU B 51 8.623 3.779 -9.217 1.00 0.00 H new ATOM 0 HD13 LEU B 51 8.726 4.436 -10.868 1.00 0.00 H new ATOM 0 HD21 LEU B 51 6.170 6.156 -10.621 1.00 0.00 H new ATOM 0 HD22 LEU B 51 6.507 5.136 -12.040 1.00 0.00 H new ATOM 0 HD23 LEU B 51 4.987 4.931 -11.136 1.00 0.00 H new ATOM 1766 N GLY B 52 6.399 1.615 -7.450 1.00 0.00 N ATOM 1767 CA GLY B 52 5.619 1.507 -6.247 1.00 0.00 C ATOM 1768 C GLY B 52 4.719 0.342 -6.350 1.00 0.00 C ATOM 1769 O GLY B 52 3.800 0.168 -5.553 1.00 0.00 O ATOM 0 H GLY B 52 7.394 1.763 -7.279 1.00 0.00 H new ATOM 0 HA2 GLY B 52 6.275 1.398 -5.383 1.00 0.00 H new ATOM 0 HA3 GLY B 52 5.038 2.417 -6.094 1.00 0.00 H new ATOM 1773 N LEU B 53 5.039 -0.454 -7.356 1.00 0.00 N ATOM 1774 CA LEU B 53 4.325 -1.635 -7.710 1.00 0.00 C ATOM 1775 C LEU B 53 3.323 -1.274 -8.789 1.00 0.00 C ATOM 1776 O LEU B 53 2.132 -1.545 -8.647 1.00 0.00 O ATOM 1777 CB LEU B 53 3.646 -2.299 -6.508 1.00 0.00 C ATOM 1778 CG LEU B 53 4.545 -2.653 -5.303 1.00 0.00 C ATOM 1779 CD1 LEU B 53 4.323 -4.094 -4.862 1.00 0.00 C ATOM 1780 CD2 LEU B 53 6.017 -2.412 -5.616 1.00 0.00 C ATOM 0 H LEU B 53 5.838 -0.274 -7.963 1.00 0.00 H new ATOM 0 HA LEU B 53 5.030 -2.376 -8.086 1.00 0.00 H new ATOM 0 HB2 LEU B 53 2.855 -1.637 -6.157 1.00 0.00 H new ATOM 0 HB3 LEU B 53 3.166 -3.215 -6.853 1.00 0.00 H new ATOM 0 HG LEU B 53 4.264 -1.994 -4.482 1.00 0.00 H new ATOM 0 HD11 LEU B 53 4.968 -4.318 -4.012 1.00 0.00 H new ATOM 0 HD12 LEU B 53 3.281 -4.229 -4.572 1.00 0.00 H new ATOM 0 HD13 LEU B 53 4.561 -4.767 -5.685 1.00 0.00 H new ATOM 0 HD21 LEU B 53 6.621 -2.671 -4.747 1.00 0.00 H new ATOM 0 HD22 LEU B 53 6.315 -3.031 -6.462 1.00 0.00 H new ATOM 0 HD23 LEU B 53 6.169 -1.361 -5.863 1.00 0.00 H new ATOM 1792 N ASP B 54 3.828 -0.653 -9.879 1.00 0.00 N ATOM 1793 CA ASP B 54 2.979 -0.238 -10.990 1.00 0.00 C ATOM 1794 C ASP B 54 1.541 -0.237 -10.565 1.00 0.00 C ATOM 1795 O ASP B 54 0.926 -1.292 -10.520 1.00 0.00 O ATOM 1796 CB ASP B 54 3.123 -1.195 -12.154 1.00 0.00 C ATOM 1797 CG ASP B 54 3.099 -0.494 -13.499 1.00 0.00 C ATOM 1798 OD1 ASP B 54 3.474 0.697 -13.556 1.00 0.00 O ATOM 1799 OD2 ASP B 54 2.705 -1.135 -14.496 1.00 0.00 O ATOM 0 H ASP B 54 4.817 -0.434 -10.001 1.00 0.00 H new ATOM 0 HA ASP B 54 3.287 0.763 -11.292 1.00 0.00 H new ATOM 0 HB2 ASP B 54 4.059 -1.745 -12.053 1.00 0.00 H new ATOM 0 HB3 ASP B 54 2.317 -1.928 -12.117 1.00 0.00 H new ATOM 1804 N VAL B 55 1.002 0.915 -10.228 1.00 0.00 N ATOM 1805 CA VAL B 55 -0.395 0.944 -9.797 1.00 0.00 C ATOM 1806 C VAL B 55 -1.273 0.048 -10.666 1.00 0.00 C ATOM 1807 O VAL B 55 -2.038 -0.742 -10.114 1.00 0.00 O ATOM 1808 CB VAL B 55 -1.018 2.356 -9.709 1.00 0.00 C ATOM 1809 CG1 VAL B 55 -1.895 2.681 -10.917 1.00 0.00 C ATOM 1810 CG2 VAL B 55 -1.825 2.464 -8.423 1.00 0.00 C ATOM 0 H VAL B 55 1.480 1.816 -10.239 1.00 0.00 H new ATOM 0 HA VAL B 55 -0.366 0.557 -8.778 1.00 0.00 H new ATOM 0 HB VAL B 55 -0.207 3.084 -9.706 1.00 0.00 H new ATOM 0 HG11 VAL B 55 -2.309 3.683 -10.807 1.00 0.00 H new ATOM 0 HG12 VAL B 55 -1.295 2.634 -11.826 1.00 0.00 H new ATOM 0 HG13 VAL B 55 -2.708 1.958 -10.981 1.00 0.00 H new ATOM 0 HG21 VAL B 55 -2.268 3.458 -8.354 1.00 0.00 H new ATOM 0 HG22 VAL B 55 -2.616 1.714 -8.426 1.00 0.00 H new ATOM 0 HG23 VAL B 55 -1.170 2.298 -7.568 1.00 0.00 H new ATOM 1820 N PRO B 56 -1.161 0.115 -12.029 1.00 0.00 N ATOM 1821 CA PRO B 56 -1.985 -0.715 -12.907 1.00 0.00 C ATOM 1822 C PRO B 56 -1.814 -2.178 -12.567 1.00 0.00 C ATOM 1823 O PRO B 56 -2.618 -3.023 -12.964 1.00 0.00 O ATOM 1824 CB PRO B 56 -1.460 -0.421 -14.318 1.00 0.00 C ATOM 1825 CG PRO B 56 -0.128 0.211 -14.114 1.00 0.00 C ATOM 1826 CD PRO B 56 -0.223 0.950 -12.814 1.00 0.00 C ATOM 0 HA PRO B 56 -3.048 -0.497 -12.808 1.00 0.00 H new ATOM 0 HB2 PRO B 56 -1.376 -1.335 -14.906 1.00 0.00 H new ATOM 0 HB3 PRO B 56 -2.133 0.245 -14.858 1.00 0.00 H new ATOM 0 HG2 PRO B 56 0.661 -0.541 -14.080 1.00 0.00 H new ATOM 0 HG3 PRO B 56 0.113 0.889 -14.933 1.00 0.00 H new ATOM 0 HD2 PRO B 56 0.748 1.036 -12.326 1.00 0.00 H new ATOM 0 HD3 PRO B 56 -0.601 1.963 -12.951 1.00 0.00 H new ATOM 1834 N LEU B 57 -0.718 -2.480 -11.889 1.00 0.00 N ATOM 1835 CA LEU B 57 -0.451 -3.829 -11.465 1.00 0.00 C ATOM 1836 C LEU B 57 -0.863 -4.091 -10.011 1.00 0.00 C ATOM 1837 O LEU B 57 -1.805 -4.829 -9.764 1.00 0.00 O ATOM 1838 CB LEU B 57 1.014 -4.187 -11.678 1.00 0.00 C ATOM 1839 CG LEU B 57 1.523 -4.045 -13.118 1.00 0.00 C ATOM 1840 CD1 LEU B 57 2.986 -4.443 -13.209 1.00 0.00 C ATOM 1841 CD2 LEU B 57 0.688 -4.884 -14.072 1.00 0.00 C ATOM 0 H LEU B 57 -0.003 -1.802 -11.624 1.00 0.00 H new ATOM 0 HA LEU B 57 -1.068 -4.475 -12.089 1.00 0.00 H new ATOM 0 HB2 LEU B 57 1.623 -3.555 -11.031 1.00 0.00 H new ATOM 0 HB3 LEU B 57 1.170 -5.216 -11.355 1.00 0.00 H new ATOM 0 HG LEU B 57 1.428 -2.999 -13.408 1.00 0.00 H new ATOM 0 HD11 LEU B 57 3.329 -4.336 -14.238 1.00 0.00 H new ATOM 0 HD12 LEU B 57 3.579 -3.799 -12.560 1.00 0.00 H new ATOM 0 HD13 LEU B 57 3.101 -5.480 -12.895 1.00 0.00 H new ATOM 0 HD21 LEU B 57 1.068 -4.767 -15.087 1.00 0.00 H new ATOM 0 HD22 LEU B 57 0.747 -5.933 -13.781 1.00 0.00 H new ATOM 0 HD23 LEU B 57 -0.350 -4.554 -14.033 1.00 0.00 H new ATOM 1853 N ASP B 58 -0.153 -3.469 -9.055 1.00 0.00 N ATOM 1854 CA ASP B 58 -0.400 -3.693 -7.620 1.00 0.00 C ATOM 1855 C ASP B 58 -1.677 -3.111 -7.071 1.00 0.00 C ATOM 1856 O ASP B 58 -2.519 -3.852 -6.581 1.00 0.00 O ATOM 1857 CB ASP B 58 0.746 -3.144 -6.804 1.00 0.00 C ATOM 1858 CG ASP B 58 0.485 -3.181 -5.311 1.00 0.00 C ATOM 1859 OD1 ASP B 58 -0.451 -3.888 -4.886 1.00 0.00 O ATOM 1860 OD2 ASP B 58 1.217 -2.499 -4.566 1.00 0.00 O ATOM 0 H ASP B 58 0.597 -2.806 -9.250 1.00 0.00 H new ATOM 0 HA ASP B 58 -0.495 -4.776 -7.537 1.00 0.00 H new ATOM 0 HB2 ASP B 58 1.647 -3.716 -7.023 1.00 0.00 H new ATOM 0 HB3 ASP B 58 0.940 -2.115 -7.107 1.00 0.00 H new ATOM 1865 N LEU B 59 -1.824 -1.804 -7.105 1.00 0.00 N ATOM 1866 CA LEU B 59 -3.013 -1.214 -6.541 1.00 0.00 C ATOM 1867 C LEU B 59 -4.171 -1.526 -7.411 1.00 0.00 C ATOM 1868 O LEU B 59 -5.302 -1.260 -7.067 1.00 0.00 O ATOM 1869 CB LEU B 59 -2.871 0.259 -6.258 1.00 0.00 C ATOM 1870 CG LEU B 59 -2.625 0.559 -4.783 1.00 0.00 C ATOM 1871 CD1 LEU B 59 -3.913 0.515 -3.991 1.00 0.00 C ATOM 1872 CD2 LEU B 59 -1.609 -0.415 -4.184 1.00 0.00 C ATOM 0 H LEU B 59 -1.154 -1.147 -7.506 1.00 0.00 H new ATOM 0 HA LEU B 59 -3.183 -1.658 -5.560 1.00 0.00 H new ATOM 0 HB2 LEU B 59 -2.046 0.659 -6.847 1.00 0.00 H new ATOM 0 HB3 LEU B 59 -3.775 0.775 -6.583 1.00 0.00 H new ATOM 0 HG LEU B 59 -2.217 1.568 -4.722 1.00 0.00 H new ATOM 0 HD11 LEU B 59 -3.704 0.733 -2.944 1.00 0.00 H new ATOM 0 HD12 LEU B 59 -4.608 1.257 -4.384 1.00 0.00 H new ATOM 0 HD13 LEU B 59 -4.357 -0.477 -4.073 1.00 0.00 H new ATOM 0 HD21 LEU B 59 -1.453 -0.177 -3.132 1.00 0.00 H new ATOM 0 HD22 LEU B 59 -1.985 -1.434 -4.274 1.00 0.00 H new ATOM 0 HD23 LEU B 59 -0.663 -0.329 -4.719 1.00 0.00 H new ATOM 1884 N ALA B 60 -3.843 -1.998 -8.588 1.00 0.00 N ATOM 1885 CA ALA B 60 -4.834 -2.430 -9.534 1.00 0.00 C ATOM 1886 C ALA B 60 -5.133 -3.883 -9.226 1.00 0.00 C ATOM 1887 O ALA B 60 -6.227 -4.368 -9.466 1.00 0.00 O ATOM 1888 CB ALA B 60 -4.331 -2.250 -10.938 1.00 0.00 C ATOM 0 H ALA B 60 -2.881 -2.092 -8.914 1.00 0.00 H new ATOM 0 HA ALA B 60 -5.745 -1.837 -9.454 1.00 0.00 H new ATOM 0 HB1 ALA B 60 -5.093 -2.582 -11.643 1.00 0.00 H new ATOM 0 HB2 ALA B 60 -4.109 -1.197 -11.113 1.00 0.00 H new ATOM 0 HB3 ALA B 60 -3.425 -2.840 -11.079 1.00 0.00 H new ATOM 1894 N CYS B 61 -4.113 -4.571 -8.703 1.00 0.00 N ATOM 1895 CA CYS B 61 -4.247 -5.953 -8.256 1.00 0.00 C ATOM 1896 C CYS B 61 -5.094 -5.891 -6.996 1.00 0.00 C ATOM 1897 O CYS B 61 -5.963 -6.727 -6.720 1.00 0.00 O ATOM 1898 CB CYS B 61 -2.863 -6.544 -7.936 1.00 0.00 C ATOM 1899 SG CYS B 61 -2.875 -7.968 -6.801 1.00 0.00 S ATOM 0 H CYS B 61 -3.177 -4.184 -8.580 1.00 0.00 H new ATOM 0 HA CYS B 61 -4.701 -6.584 -9.020 1.00 0.00 H new ATOM 0 HB2 CYS B 61 -2.390 -6.847 -8.870 1.00 0.00 H new ATOM 0 HB3 CYS B 61 -2.241 -5.760 -7.504 1.00 0.00 H new ATOM 1904 N ALA B 62 -4.845 -4.816 -6.268 1.00 0.00 N ATOM 1905 CA ALA B 62 -5.526 -4.533 -5.032 1.00 0.00 C ATOM 1906 C ALA B 62 -6.883 -3.896 -5.309 1.00 0.00 C ATOM 1907 O ALA B 62 -7.885 -4.263 -4.693 1.00 0.00 O ATOM 1908 CB ALA B 62 -4.654 -3.634 -4.174 1.00 0.00 C ATOM 0 H ALA B 62 -4.155 -4.111 -6.528 1.00 0.00 H new ATOM 0 HA ALA B 62 -5.706 -5.461 -4.490 1.00 0.00 H new ATOM 0 HB1 ALA B 62 -5.166 -3.417 -3.237 1.00 0.00 H new ATOM 0 HB2 ALA B 62 -3.710 -4.136 -3.964 1.00 0.00 H new ATOM 0 HB3 ALA B 62 -4.459 -2.702 -4.705 1.00 0.00 H new ATOM 1914 N ALA B 63 -6.902 -2.938 -6.243 1.00 0.00 N ATOM 1915 CA ALA B 63 -8.137 -2.269 -6.636 1.00 0.00 C ATOM 1916 C ALA B 63 -9.040 -3.283 -7.270 1.00 0.00 C ATOM 1917 O ALA B 63 -10.257 -3.246 -7.114 1.00 0.00 O ATOM 1918 CB ALA B 63 -7.878 -1.140 -7.615 1.00 0.00 C ATOM 0 H ALA B 63 -6.072 -2.612 -6.738 1.00 0.00 H new ATOM 0 HA ALA B 63 -8.598 -1.835 -5.749 1.00 0.00 H new ATOM 0 HB1 ALA B 63 -8.823 -0.667 -7.883 1.00 0.00 H new ATOM 0 HB2 ALA B 63 -7.221 -0.402 -7.154 1.00 0.00 H new ATOM 0 HB3 ALA B 63 -7.404 -1.538 -8.512 1.00 0.00 H new ATOM 1924 N THR B 64 -8.421 -4.211 -7.983 1.00 0.00 N ATOM 1925 CA THR B 64 -9.176 -5.276 -8.617 1.00 0.00 C ATOM 1926 C THR B 64 -9.603 -6.248 -7.539 1.00 0.00 C ATOM 1927 O THR B 64 -10.040 -7.363 -7.823 1.00 0.00 O ATOM 1928 CB THR B 64 -8.408 -6.031 -9.741 1.00 0.00 C ATOM 1929 OG1 THR B 64 -9.341 -6.732 -10.570 1.00 0.00 O ATOM 1930 CG2 THR B 64 -7.388 -7.028 -9.190 1.00 0.00 C ATOM 0 H THR B 64 -7.413 -4.248 -8.135 1.00 0.00 H new ATOM 0 HA THR B 64 -10.030 -4.817 -9.116 1.00 0.00 H new ATOM 0 HB THR B 64 -7.863 -5.282 -10.315 1.00 0.00 H new ATOM 0 HG1 THR B 64 -9.954 -7.250 -10.007 1.00 0.00 H new ATOM 0 HG21 THR B 64 -6.882 -7.526 -10.017 1.00 0.00 H new ATOM 0 HG22 THR B 64 -6.654 -6.499 -8.581 1.00 0.00 H new ATOM 0 HG23 THR B 64 -7.899 -7.771 -8.578 1.00 0.00 H new ATOM 1938 N ALA B 65 -9.470 -5.808 -6.281 1.00 0.00 N ATOM 1939 CA ALA B 65 -9.821 -6.649 -5.163 1.00 0.00 C ATOM 1940 C ALA B 65 -10.025 -5.896 -3.833 1.00 0.00 C ATOM 1941 O ALA B 65 -11.070 -5.299 -3.619 1.00 0.00 O ATOM 1942 CB ALA B 65 -8.770 -7.709 -5.017 1.00 0.00 C ATOM 0 H ALA B 65 -9.124 -4.882 -6.028 1.00 0.00 H new ATOM 0 HA ALA B 65 -10.795 -7.086 -5.385 1.00 0.00 H new ATOM 0 HB1 ALA B 65 -9.019 -8.355 -4.175 1.00 0.00 H new ATOM 0 HB2 ALA B 65 -8.724 -8.303 -5.929 1.00 0.00 H new ATOM 0 HB3 ALA B 65 -7.802 -7.240 -4.840 1.00 0.00 H new ATOM 1948 N THR B 66 -9.030 -5.940 -2.931 1.00 0.00 N ATOM 1949 CA THR B 66 -9.183 -5.327 -1.599 1.00 0.00 C ATOM 1950 C THR B 66 -8.936 -3.829 -1.570 1.00 0.00 C ATOM 1951 O THR B 66 -9.736 -3.107 -0.981 1.00 0.00 O ATOM 1952 CB THR B 66 -8.288 -5.977 -0.527 1.00 0.00 C ATOM 1953 OG1 THR B 66 -7.018 -5.336 -0.502 1.00 0.00 O ATOM 1954 CG2 THR B 66 -8.107 -7.460 -0.777 1.00 0.00 C ATOM 0 H THR B 66 -8.127 -6.385 -3.094 1.00 0.00 H new ATOM 0 HA THR B 66 -10.232 -5.511 -1.366 1.00 0.00 H new ATOM 0 HB THR B 66 -8.781 -5.855 0.438 1.00 0.00 H new ATOM 0 HG1 THR B 66 -6.751 -5.176 0.427 1.00 0.00 H new ATOM 0 HG21 THR B 66 -7.470 -7.885 -0.001 1.00 0.00 H new ATOM 0 HG22 THR B 66 -9.079 -7.953 -0.759 1.00 0.00 H new ATOM 0 HG23 THR B 66 -7.642 -7.611 -1.751 1.00 0.00 H new ATOM 1962 N SER B 67 -7.845 -3.334 -2.168 1.00 0.00 N ATOM 1963 CA SER B 67 -7.628 -1.879 -2.144 1.00 0.00 C ATOM 1964 C SER B 67 -8.951 -1.282 -2.518 1.00 0.00 C ATOM 1965 O SER B 67 -9.324 -0.179 -2.117 1.00 0.00 O ATOM 1966 CB SER B 67 -6.534 -1.407 -3.086 1.00 0.00 C ATOM 1967 OG SER B 67 -6.491 0.005 -3.113 1.00 0.00 O ATOM 0 H SER B 67 -7.133 -3.882 -2.650 1.00 0.00 H new ATOM 0 HA SER B 67 -7.283 -1.568 -1.158 1.00 0.00 H new ATOM 0 HB2 SER B 67 -5.571 -1.802 -2.763 1.00 0.00 H new ATOM 0 HB3 SER B 67 -6.716 -1.792 -4.089 1.00 0.00 H new ATOM 0 HG SER B 67 -6.431 0.313 -4.041 1.00 0.00 H new ATOM 1973 N SER B 68 -9.629 -2.074 -3.329 1.00 0.00 N ATOM 1974 CA SER B 68 -10.969 -1.854 -3.720 1.00 0.00 C ATOM 1975 C SER B 68 -11.192 -0.795 -4.755 1.00 0.00 C ATOM 1976 O SER B 68 -11.055 0.399 -4.513 1.00 0.00 O ATOM 1977 CB SER B 68 -11.835 -1.602 -2.508 1.00 0.00 C ATOM 1978 OG SER B 68 -13.117 -1.149 -2.892 1.00 0.00 O ATOM 0 H SER B 68 -9.225 -2.917 -3.738 1.00 0.00 H new ATOM 0 HA SER B 68 -11.260 -2.778 -4.219 1.00 0.00 H new ATOM 0 HB2 SER B 68 -11.928 -2.518 -1.925 1.00 0.00 H new ATOM 0 HB3 SER B 68 -11.361 -0.861 -1.864 1.00 0.00 H new ATOM 0 HG SER B 68 -13.140 -0.170 -2.863 1.00 0.00 H new ATOM 1984 N ALA B 69 -11.553 -1.295 -5.909 1.00 0.00 N ATOM 1985 CA ALA B 69 -11.916 -0.486 -7.053 1.00 0.00 C ATOM 1986 C ALA B 69 -11.965 -1.354 -8.293 1.00 0.00 C ATOM 1987 O ALA B 69 -11.483 -0.979 -9.363 1.00 0.00 O ATOM 1988 CB ALA B 69 -10.970 0.685 -7.247 1.00 0.00 C ATOM 0 H ALA B 69 -11.605 -2.298 -6.087 1.00 0.00 H new ATOM 0 HA ALA B 69 -12.904 -0.063 -6.870 1.00 0.00 H new ATOM 0 HB1 ALA B 69 -11.281 1.264 -8.117 1.00 0.00 H new ATOM 0 HB2 ALA B 69 -10.991 1.320 -6.362 1.00 0.00 H new ATOM 0 HB3 ALA B 69 -9.957 0.313 -7.402 1.00 0.00 H new ATOM 1994 N THR B 70 -12.559 -2.526 -8.126 1.00 0.00 N ATOM 1995 CA THR B 70 -12.680 -3.485 -9.206 1.00 0.00 C ATOM 1996 C THR B 70 -13.995 -3.300 -9.944 1.00 0.00 C ATOM 1997 O THR B 70 -15.045 -3.774 -9.510 1.00 0.00 O ATOM 1998 CB THR B 70 -12.565 -4.936 -8.697 1.00 0.00 C ATOM 1999 OG1 THR B 70 -13.528 -5.768 -9.349 1.00 0.00 O ATOM 2000 CG2 THR B 70 -12.759 -5.008 -7.192 1.00 0.00 C ATOM 0 H THR B 70 -12.967 -2.835 -7.244 1.00 0.00 H new ATOM 0 HA THR B 70 -11.855 -3.301 -9.894 1.00 0.00 H new ATOM 0 HB THR B 70 -11.562 -5.293 -8.931 1.00 0.00 H new ATOM 0 HG1 THR B 70 -13.587 -6.628 -8.883 1.00 0.00 H new ATOM 0 HG21 THR B 70 -12.672 -6.044 -6.863 1.00 0.00 H new ATOM 0 HG22 THR B 70 -11.997 -4.405 -6.698 1.00 0.00 H new ATOM 0 HG23 THR B 70 -13.747 -4.627 -6.934 1.00 0.00 H new ATOM 2008 N GLU B 71 -13.921 -2.598 -11.061 1.00 0.00 N ATOM 2009 CA GLU B 71 -15.085 -2.329 -11.889 1.00 0.00 C ATOM 2010 C GLU B 71 -15.664 -3.624 -12.446 1.00 0.00 C ATOM 2011 O GLU B 71 -16.696 -3.624 -13.118 1.00 0.00 O ATOM 2012 CB GLU B 71 -14.682 -1.362 -13.006 1.00 0.00 C ATOM 2013 CG GLU B 71 -15.718 -1.201 -14.111 1.00 0.00 C ATOM 2014 CD GLU B 71 -15.308 -0.176 -15.150 1.00 0.00 C ATOM 2015 OE1 GLU B 71 -15.538 1.030 -14.917 1.00 0.00 O ATOM 2016 OE2 GLU B 71 -14.756 -0.578 -16.195 1.00 0.00 O ATOM 0 H GLU B 71 -13.054 -2.199 -11.420 1.00 0.00 H new ATOM 0 HA GLU B 71 -15.868 -1.867 -11.288 1.00 0.00 H new ATOM 0 HB2 GLU B 71 -14.483 -0.384 -12.568 1.00 0.00 H new ATOM 0 HB3 GLU B 71 -13.748 -1.709 -13.449 1.00 0.00 H new ATOM 0 HG2 GLU B 71 -15.877 -2.163 -14.598 1.00 0.00 H new ATOM 0 HG3 GLU B 71 -16.670 -0.906 -13.671 1.00 0.00 H new ATOM 2023 N ALA B 72 -15.008 -4.736 -12.138 1.00 0.00 N ATOM 2024 CA ALA B 72 -15.459 -6.028 -12.618 1.00 0.00 C ATOM 2025 C ALA B 72 -16.293 -6.777 -11.575 1.00 0.00 C ATOM 2026 O ALA B 72 -17.208 -7.520 -11.931 1.00 0.00 O ATOM 2027 CB ALA B 72 -14.275 -6.873 -13.060 1.00 0.00 C ATOM 0 H ALA B 72 -14.167 -4.766 -11.561 1.00 0.00 H new ATOM 0 HA ALA B 72 -16.107 -5.845 -13.475 1.00 0.00 H new ATOM 0 HB1 ALA B 72 -14.631 -7.839 -13.417 1.00 0.00 H new ATOM 0 HB2 ALA B 72 -13.743 -6.363 -13.863 1.00 0.00 H new ATOM 0 HB3 ALA B 72 -13.601 -7.024 -12.217 1.00 0.00 H new ATOM 2033 N CYS B 73 -15.984 -6.590 -10.289 1.00 0.00 N ATOM 2034 CA CYS B 73 -16.731 -7.268 -9.227 1.00 0.00 C ATOM 2035 C CYS B 73 -17.520 -6.279 -8.411 1.00 0.00 C ATOM 2036 O CYS B 73 -18.208 -6.661 -7.467 1.00 0.00 O ATOM 2037 CB CYS B 73 -15.805 -8.001 -8.257 1.00 0.00 C ATOM 2038 SG CYS B 73 -14.402 -8.858 -9.033 1.00 0.00 S ATOM 0 H CYS B 73 -15.232 -5.983 -9.961 1.00 0.00 H new ATOM 0 HA CYS B 73 -17.388 -7.979 -9.728 1.00 0.00 H new ATOM 0 HB2 CYS B 73 -15.418 -7.282 -7.535 1.00 0.00 H new ATOM 0 HB3 CYS B 73 -16.392 -8.730 -7.698 1.00 0.00 H new ATOM 2043 N LYS B 74 -17.430 -5.012 -8.768 1.00 0.00 N ATOM 2044 CA LYS B 74 -18.097 -3.997 -7.991 1.00 0.00 C ATOM 2045 C LYS B 74 -19.606 -4.102 -8.013 1.00 0.00 C ATOM 2046 O LYS B 74 -20.178 -5.186 -7.889 1.00 0.00 O ATOM 2047 CB LYS B 74 -17.658 -2.595 -8.375 1.00 0.00 C ATOM 2048 CG LYS B 74 -17.855 -1.602 -7.238 1.00 0.00 C ATOM 2049 CD LYS B 74 -18.663 -0.417 -7.684 1.00 0.00 C ATOM 2050 CE LYS B 74 -20.012 -0.273 -7.021 1.00 0.00 C ATOM 2051 NZ LYS B 74 -21.062 0.162 -7.983 1.00 0.00 N ATOM 0 H LYS B 74 -16.911 -4.670 -9.576 1.00 0.00 H new ATOM 0 HA LYS B 74 -17.784 -4.188 -6.964 1.00 0.00 H new ATOM 0 HB2 LYS B 74 -16.607 -2.611 -8.664 1.00 0.00 H new ATOM 0 HB3 LYS B 74 -18.223 -2.264 -9.246 1.00 0.00 H new ATOM 0 HG2 LYS B 74 -18.357 -2.094 -6.405 1.00 0.00 H new ATOM 0 HG3 LYS B 74 -16.884 -1.267 -6.873 1.00 0.00 H new ATOM 0 HD2 LYS B 74 -18.085 0.488 -7.496 1.00 0.00 H new ATOM 0 HD3 LYS B 74 -18.811 -0.483 -8.762 1.00 0.00 H new ATOM 0 HE2 LYS B 74 -20.300 -1.225 -6.575 1.00 0.00 H new ATOM 0 HE3 LYS B 74 -19.942 0.451 -6.209 1.00 0.00 H new ATOM 0 HZ1 LYS B 74 -21.999 -0.101 -7.617 1.00 0.00 H new ATOM 0 HZ2 LYS B 74 -21.015 1.194 -8.105 1.00 0.00 H new ATOM 0 HZ3 LYS B 74 -20.906 -0.302 -8.901 1.00 0.00 H new ATOM 2065 N GLY B 75 -20.245 -2.960 -8.175 1.00 0.00 N ATOM 2066 CA GLY B 75 -21.668 -2.910 -8.100 1.00 0.00 C ATOM 2067 C GLY B 75 -22.005 -2.993 -6.641 1.00 0.00 C ATOM 2068 O GLY B 75 -23.147 -3.238 -6.252 1.00 0.00 O ATOM 0 H GLY B 75 -19.792 -2.065 -8.358 1.00 0.00 H new ATOM 0 HA2 GLY B 75 -22.050 -1.988 -8.537 1.00 0.00 H new ATOM 0 HA3 GLY B 75 -22.118 -3.735 -8.652 1.00 0.00 H new ATOM 2072 N CYS B 76 -20.957 -2.773 -5.824 1.00 0.00 N ATOM 2073 CA CYS B 76 -21.076 -2.861 -4.398 1.00 0.00 C ATOM 2074 C CYS B 76 -19.965 -2.127 -3.613 1.00 0.00 C ATOM 2075 O CYS B 76 -20.263 -1.244 -2.815 1.00 0.00 O ATOM 2076 CB CYS B 76 -21.018 -4.339 -4.012 1.00 0.00 C ATOM 2077 SG CYS B 76 -22.616 -5.212 -4.040 1.00 0.00 S ATOM 0 H CYS B 76 -20.022 -2.533 -6.153 1.00 0.00 H new ATOM 0 HA CYS B 76 -22.017 -2.378 -4.135 1.00 0.00 H new ATOM 0 HB2 CYS B 76 -20.332 -4.848 -4.689 1.00 0.00 H new ATOM 0 HB3 CYS B 76 -20.596 -4.420 -3.010 1.00 0.00 H new ATOM 2082 N LEU B 77 -18.688 -2.434 -3.884 1.00 0.00 N ATOM 2083 CA LEU B 77 -17.596 -1.936 -3.017 1.00 0.00 C ATOM 2084 C LEU B 77 -16.537 -0.977 -3.610 1.00 0.00 C ATOM 2085 O LEU B 77 -15.585 -0.662 -2.904 1.00 0.00 O ATOM 2086 CB LEU B 77 -16.872 -3.185 -2.501 1.00 0.00 C ATOM 2087 CG LEU B 77 -15.714 -2.967 -1.520 1.00 0.00 C ATOM 2088 CD1 LEU B 77 -16.216 -2.404 -0.213 1.00 0.00 C ATOM 2089 CD2 LEU B 77 -14.965 -4.265 -1.284 1.00 0.00 C ATOM 0 H LEU B 77 -18.385 -3.007 -4.671 1.00 0.00 H new ATOM 0 HA LEU B 77 -18.089 -1.311 -2.273 1.00 0.00 H new ATOM 0 HB2 LEU B 77 -17.608 -3.827 -2.018 1.00 0.00 H new ATOM 0 HB3 LEU B 77 -16.488 -3.733 -3.361 1.00 0.00 H new ATOM 0 HG LEU B 77 -15.027 -2.245 -1.961 1.00 0.00 H new ATOM 0 HD11 LEU B 77 -15.376 -2.258 0.467 1.00 0.00 H new ATOM 0 HD12 LEU B 77 -16.707 -1.448 -0.393 1.00 0.00 H new ATOM 0 HD13 LEU B 77 -16.927 -3.099 0.233 1.00 0.00 H new ATOM 0 HD21 LEU B 77 -14.147 -4.091 -0.585 1.00 0.00 H new ATOM 0 HD22 LEU B 77 -15.646 -5.007 -0.868 1.00 0.00 H new ATOM 0 HD23 LEU B 77 -14.564 -4.630 -2.229 1.00 0.00 H new ATOM 2101 N TRP B 78 -16.666 -0.478 -4.835 1.00 0.00 N ATOM 2102 CA TRP B 78 -15.613 0.410 -5.384 1.00 0.00 C ATOM 2103 C TRP B 78 -14.922 1.224 -4.290 1.00 0.00 C ATOM 2104 O TRP B 78 -15.616 1.966 -3.569 1.00 0.00 O ATOM 2105 CB TRP B 78 -16.146 1.366 -6.459 1.00 0.00 C ATOM 2106 CG TRP B 78 -15.933 0.881 -7.860 1.00 0.00 C ATOM 2107 CD1 TRP B 78 -15.100 -0.104 -8.280 1.00 0.00 C ATOM 2108 CD2 TRP B 78 -16.633 1.328 -9.014 1.00 0.00 C ATOM 2109 NE1 TRP B 78 -15.239 -0.300 -9.627 1.00 0.00 N ATOM 2110 CE2 TRP B 78 -16.179 0.573 -10.098 1.00 0.00 C ATOM 2111 CE3 TRP B 78 -17.606 2.293 -9.219 1.00 0.00 C ATOM 2112 CZ2 TRP B 78 -16.672 0.752 -11.376 1.00 0.00 C ATOM 2113 CZ3 TRP B 78 -18.101 2.480 -10.493 1.00 0.00 C ATOM 2114 CH2 TRP B 78 -17.632 1.706 -11.562 1.00 0.00 C ATOM 2115 OXT TRP B 78 -13.684 1.111 -4.166 1.00 0.00 O ATOM 0 H TRP B 78 -17.454 -0.656 -5.458 1.00 0.00 H new ATOM 0 HA TRP B 78 -14.886 -0.258 -5.846 1.00 0.00 H new ATOM 0 HB2 TRP B 78 -17.213 1.522 -6.297 1.00 0.00 H new ATOM 0 HB3 TRP B 78 -15.661 2.335 -6.342 1.00 0.00 H new ATOM 0 HD1 TRP B 78 -14.424 -0.655 -7.643 1.00 0.00 H new ATOM 0 HE1 TRP B 78 -14.727 -0.983 -10.186 1.00 0.00 H new ATOM 0 HE3 TRP B 78 -17.971 2.889 -8.395 1.00 0.00 H new ATOM 0 HZ2 TRP B 78 -16.310 0.157 -12.201 1.00 0.00 H new ATOM 0 HZ3 TRP B 78 -18.858 3.231 -10.668 1.00 0.00 H new ATOM 0 HH2 TRP B 78 -18.036 1.866 -12.551 1.00 0.00 H new