USER MOD reduce.3.24.130724 H: found=0, std=0, add=986, rem=0, adj=38 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 23 SER OG : rot 116:sc= 0.536 USER MOD Set 1.2: B 74 LYS NZ :NH3+ -169:sc= 0.209 (180deg=0.142) USER MOD Set 2.1: B 12 TYR OH : rot -178:sc= 0.624 USER MOD Set 2.2: B 67 SER OG : rot -133:sc= -0.47! USER MOD Set 3.1: B 21 GLN :FLIP amide:sc= -3.79! C(o=-6!,f=-2.8!) USER MOD Set 3.2: B 24 SER OG : rot 108:sc= 0.963 USER MOD Set 4.1: B 20 THR OG1 : rot 19:sc= -1.4! USER MOD Set 4.2: B 68 SER OG : rot 82:sc= -3.51! USER MOD Set 5.1: A 20 THR OG1 : rot 37:sc= -1.83! USER MOD Set 5.2: A 68 SER OG : rot 78:sc= -3.24! USER MOD Set 6.1: A 23 SER OG : rot 116:sc= 0.538 USER MOD Set 6.2: A 74 LYS NZ :NH3+ -169:sc= 0.206 (180deg=0.136) USER MOD Set 7.1: A 21 GLN :FLIP amide:sc= -3.78! C(o=-6!,f=-2.9!) USER MOD Set 7.2: A 24 SER OG : rot 109:sc= 0.926 USER MOD Set 8.1: A 12 TYR OH : rot -178:sc= 0.628 USER MOD Set 8.2: A 67 SER OG : rot -141:sc= -0.631 USER MOD Single : A 4 SER OG : rot 26:sc= 0.159 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN :FLIP amide:sc= -13.9! C(o=-21!,f=-14!) USER MOD Single : A 27 ASN :FLIP amide:sc= -0.754 F(o=-6.1!,f=-0.75) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 39:sc= -0.158! USER MOD Single : A 40 SER OG : rot -92:sc= 0.32 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot -49:sc= 0.139 USER MOD Single : A 66 THR OG1 : rot -69:sc= -3.1! USER MOD Single : A 70 THR OG1 : rot 168:sc= 2.15 USER MOD Single : B 4 SER OG : rot 32:sc= 0.152 USER MOD Single : B 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 13 ASN :FLIP amide:sc= -14! C(o=-21!,f=-14!) USER MOD Single : B 27 ASN :FLIP amide:sc= -0.663 F(o=-5.9!,f=-0.66) USER MOD Single : B 35 SER OG : rot 180:sc= 0 USER MOD Single : B 36 SER OG : rot 180:sc= 0 USER MOD Single : B 38 SER OG : rot 180:sc= -0.295 USER MOD Single : B 40 SER OG : rot -97:sc= 0.331 USER MOD Single : B 41 SER OG : rot 180:sc= 0 USER MOD Single : B 64 THR OG1 : rot -48:sc= 0.129 USER MOD Single : B 66 THR OG1 : rot -76:sc= -3.14! USER MOD Single : B 70 THR OG1 : rot -153:sc= 2.14 USER MOD ----------------------------------------------------------------- ATOM 46 N SER A 4 -13.804 9.916 -6.134 1.00 0.00 N ATOM 47 CA SER A 4 -14.395 8.600 -6.349 1.00 0.00 C ATOM 48 C SER A 4 -13.401 7.530 -5.956 1.00 0.00 C ATOM 49 O SER A 4 -12.282 7.842 -5.573 1.00 0.00 O ATOM 50 CB SER A 4 -14.770 8.414 -7.816 1.00 0.00 C ATOM 51 OG SER A 4 -15.533 9.505 -8.300 1.00 0.00 O ATOM 0 HA SER A 4 -15.294 8.520 -5.738 1.00 0.00 H new ATOM 0 HB2 SER A 4 -13.864 8.309 -8.413 1.00 0.00 H new ATOM 0 HB3 SER A 4 -15.338 7.491 -7.933 1.00 0.00 H new ATOM 0 HG SER A 4 -15.322 10.308 -7.779 1.00 0.00 H new ATOM 57 N VAL A 5 -13.801 6.275 -6.052 1.00 0.00 N ATOM 58 CA VAL A 5 -12.906 5.188 -5.706 1.00 0.00 C ATOM 59 C VAL A 5 -11.828 5.029 -6.780 1.00 0.00 C ATOM 60 O VAL A 5 -10.640 4.964 -6.470 1.00 0.00 O ATOM 61 CB VAL A 5 -13.667 3.858 -5.496 1.00 0.00 C ATOM 62 CG1 VAL A 5 -15.125 4.125 -5.130 1.00 0.00 C ATOM 63 CG2 VAL A 5 -13.550 2.949 -6.715 1.00 0.00 C ATOM 0 H VAL A 5 -14.729 5.986 -6.363 1.00 0.00 H new ATOM 0 HA VAL A 5 -12.430 5.440 -4.759 1.00 0.00 H new ATOM 0 HB VAL A 5 -13.204 3.332 -4.662 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -15.644 3.177 -4.986 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -15.168 4.706 -4.209 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -15.605 4.683 -5.933 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -14.096 2.024 -6.533 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -13.970 3.453 -7.586 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -12.500 2.720 -6.899 1.00 0.00 H new ATOM 73 N GLY A 6 -12.251 4.987 -8.045 1.00 0.00 N ATOM 74 CA GLY A 6 -11.309 4.841 -9.138 1.00 0.00 C ATOM 75 C GLY A 6 -10.453 6.080 -9.311 1.00 0.00 C ATOM 76 O GLY A 6 -9.235 5.988 -9.482 1.00 0.00 O ATOM 0 H GLY A 6 -13.229 5.052 -8.328 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -10.668 3.979 -8.953 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -11.852 4.642 -10.062 1.00 0.00 H new ATOM 80 N ASP A 7 -11.092 7.245 -9.258 1.00 0.00 N ATOM 81 CA ASP A 7 -10.378 8.509 -9.388 1.00 0.00 C ATOM 82 C ASP A 7 -9.412 8.665 -8.230 1.00 0.00 C ATOM 83 O ASP A 7 -8.320 9.216 -8.380 1.00 0.00 O ATOM 84 CB ASP A 7 -11.358 9.681 -9.405 1.00 0.00 C ATOM 85 CG ASP A 7 -12.294 9.636 -10.597 1.00 0.00 C ATOM 86 OD1 ASP A 7 -13.326 8.939 -10.516 1.00 0.00 O ATOM 87 OD2 ASP A 7 -11.994 10.300 -11.611 1.00 0.00 O ATOM 0 H ASP A 7 -12.099 7.339 -9.126 1.00 0.00 H new ATOM 0 HA ASP A 7 -9.826 8.506 -10.328 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -11.944 9.674 -8.486 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -10.800 10.617 -9.420 1.00 0.00 H new ATOM 92 N ALA A 8 -9.834 8.182 -7.070 1.00 0.00 N ATOM 93 CA ALA A 8 -9.008 8.232 -5.879 1.00 0.00 C ATOM 94 C ALA A 8 -7.670 7.600 -6.161 1.00 0.00 C ATOM 95 O ALA A 8 -6.620 8.176 -5.883 1.00 0.00 O ATOM 96 CB ALA A 8 -9.665 7.480 -4.756 1.00 0.00 C ATOM 0 H ALA A 8 -10.748 7.750 -6.931 1.00 0.00 H new ATOM 0 HA ALA A 8 -8.878 9.276 -5.593 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -9.034 7.526 -3.869 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -10.634 7.928 -4.536 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -9.805 6.439 -5.048 1.00 0.00 H new ATOM 102 N PHE A 9 -7.728 6.389 -6.702 1.00 0.00 N ATOM 103 CA PHE A 9 -6.537 5.657 -7.044 1.00 0.00 C ATOM 104 C PHE A 9 -5.581 6.572 -7.790 1.00 0.00 C ATOM 105 O PHE A 9 -4.431 6.696 -7.412 1.00 0.00 O ATOM 106 CB PHE A 9 -6.902 4.428 -7.862 1.00 0.00 C ATOM 107 CG PHE A 9 -7.082 3.220 -7.004 1.00 0.00 C ATOM 108 CD1 PHE A 9 -8.316 2.949 -6.454 1.00 0.00 C ATOM 109 CD2 PHE A 9 -6.022 2.378 -6.717 1.00 0.00 C ATOM 110 CE1 PHE A 9 -8.497 1.861 -5.638 1.00 0.00 C ATOM 111 CE2 PHE A 9 -6.198 1.289 -5.891 1.00 0.00 C ATOM 112 CZ PHE A 9 -7.441 1.034 -5.352 1.00 0.00 C ATOM 0 H PHE A 9 -8.598 5.899 -6.910 1.00 0.00 H new ATOM 0 HA PHE A 9 -6.036 5.311 -6.140 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -7.821 4.620 -8.415 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -6.121 4.237 -8.598 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -9.150 3.601 -6.668 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -5.050 2.576 -7.143 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -9.472 1.656 -5.221 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -5.366 0.638 -5.667 1.00 0.00 H new ATOM 0 HZ PHE A 9 -7.583 0.182 -4.704 1.00 0.00 H new ATOM 122 N ASP A 10 -6.088 7.286 -8.794 1.00 0.00 N ATOM 123 CA ASP A 10 -5.250 8.198 -9.575 1.00 0.00 C ATOM 124 C ASP A 10 -4.362 8.998 -8.637 1.00 0.00 C ATOM 125 O ASP A 10 -3.152 9.124 -8.844 1.00 0.00 O ATOM 126 CB ASP A 10 -6.123 9.155 -10.382 1.00 0.00 C ATOM 127 CG ASP A 10 -5.350 9.868 -11.473 1.00 0.00 C ATOM 128 OD1 ASP A 10 -5.219 9.301 -12.577 1.00 0.00 O ATOM 129 OD2 ASP A 10 -4.875 10.997 -11.223 1.00 0.00 O ATOM 0 H ASP A 10 -7.065 7.253 -9.085 1.00 0.00 H new ATOM 0 HA ASP A 10 -4.634 7.614 -10.259 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -6.947 8.600 -10.829 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -6.563 9.893 -9.711 1.00 0.00 H new ATOM 134 N LYS A 11 -4.987 9.523 -7.595 1.00 0.00 N ATOM 135 CA LYS A 11 -4.287 10.287 -6.574 1.00 0.00 C ATOM 136 C LYS A 11 -3.213 9.416 -5.937 1.00 0.00 C ATOM 137 O LYS A 11 -2.050 9.806 -5.817 1.00 0.00 O ATOM 138 CB LYS A 11 -5.267 10.734 -5.487 1.00 0.00 C ATOM 139 CG LYS A 11 -4.720 11.816 -4.572 1.00 0.00 C ATOM 140 CD LYS A 11 -4.867 13.193 -5.198 1.00 0.00 C ATOM 141 CE LYS A 11 -4.382 14.289 -4.261 1.00 0.00 C ATOM 142 NZ LYS A 11 -4.675 15.646 -4.798 1.00 0.00 N ATOM 0 H LYS A 11 -5.990 9.432 -7.433 1.00 0.00 H new ATOM 0 HA LYS A 11 -3.834 11.163 -7.038 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -6.178 11.099 -5.961 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -5.545 9.869 -4.885 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -5.247 11.789 -3.618 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -3.669 11.620 -4.361 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -4.301 13.232 -6.129 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -5.912 13.368 -5.453 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -4.859 14.173 -3.288 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -3.308 14.184 -4.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -4.329 16.365 -4.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -4.199 15.767 -5.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -5.702 15.755 -4.924 1.00 0.00 H new ATOM 156 N TYR A 12 -3.631 8.221 -5.534 1.00 0.00 N ATOM 157 CA TYR A 12 -2.750 7.261 -4.890 1.00 0.00 C ATOM 158 C TYR A 12 -1.595 6.852 -5.764 1.00 0.00 C ATOM 159 O TYR A 12 -0.444 7.063 -5.421 1.00 0.00 O ATOM 160 CB TYR A 12 -3.486 5.976 -4.555 1.00 0.00 C ATOM 161 CG TYR A 12 -2.707 5.105 -3.589 1.00 0.00 C ATOM 162 CD1 TYR A 12 -1.844 5.667 -2.647 1.00 0.00 C ATOM 163 CD2 TYR A 12 -2.819 3.725 -3.623 1.00 0.00 C ATOM 164 CE1 TYR A 12 -1.125 4.877 -1.773 1.00 0.00 C ATOM 165 CE2 TYR A 12 -2.101 2.931 -2.752 1.00 0.00 C ATOM 166 CZ TYR A 12 -1.256 3.508 -1.830 1.00 0.00 C ATOM 167 OH TYR A 12 -0.540 2.713 -0.964 1.00 0.00 O ATOM 0 H TYR A 12 -4.590 7.893 -5.646 1.00 0.00 H new ATOM 0 HA TYR A 12 -2.390 7.770 -3.996 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -4.457 6.218 -4.122 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -3.676 5.418 -5.472 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -1.737 6.741 -2.601 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -3.479 3.263 -4.343 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -0.464 5.330 -1.049 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -2.202 1.857 -2.793 1.00 0.00 H new ATOM 0 HH TYR A 12 -0.724 1.770 -1.157 1.00 0.00 H new ATOM 177 N ASN A 13 -1.940 6.275 -6.899 1.00 0.00 N ATOM 178 CA ASN A 13 -0.971 5.733 -7.836 1.00 0.00 C ATOM 179 C ASN A 13 0.267 6.600 -7.933 1.00 0.00 C ATOM 180 O ASN A 13 1.382 6.121 -7.740 1.00 0.00 O ATOM 181 CB ASN A 13 -1.587 5.614 -9.224 1.00 0.00 C ATOM 182 CG ASN A 13 -3.076 5.283 -9.230 1.00 0.00 C ATOM 183 OD1 ASN A 13 -3.581 4.654 -8.168 1.00 0.00 O flip ATOM 184 ND2 ASN A 13 -3.775 5.598 -10.193 1.00 0.00 N flip ATOM 0 H ASN A 13 -2.908 6.168 -7.200 1.00 0.00 H new ATOM 0 HA ASN A 13 -0.683 4.750 -7.462 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -1.434 6.553 -9.757 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -1.054 4.842 -9.779 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -3.358 6.079 -10.990 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -4.771 5.378 -10.194 1.00 0.00 H new ATOM 191 N GLU A 14 0.076 7.865 -8.237 1.00 0.00 N ATOM 192 CA GLU A 14 1.199 8.775 -8.340 1.00 0.00 C ATOM 193 C GLU A 14 1.983 8.774 -7.020 1.00 0.00 C ATOM 194 O GLU A 14 3.214 8.707 -7.005 1.00 0.00 O ATOM 195 CB GLU A 14 0.689 10.181 -8.684 1.00 0.00 C ATOM 196 CG GLU A 14 0.220 10.974 -7.480 1.00 0.00 C ATOM 197 CD GLU A 14 1.281 11.918 -6.950 1.00 0.00 C ATOM 198 OE1 GLU A 14 1.404 13.037 -7.490 1.00 0.00 O ATOM 199 OE2 GLU A 14 1.990 11.540 -5.993 1.00 0.00 O ATOM 0 H GLU A 14 -0.836 8.285 -8.416 1.00 0.00 H new ATOM 0 HA GLU A 14 1.870 8.451 -9.135 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.485 10.734 -9.184 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -0.134 10.095 -9.394 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -0.667 11.547 -7.751 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -0.075 10.285 -6.689 1.00 0.00 H new ATOM 206 N ALA A 15 1.236 8.772 -5.920 1.00 0.00 N ATOM 207 CA ALA A 15 1.797 8.806 -4.575 1.00 0.00 C ATOM 208 C ALA A 15 2.462 7.501 -4.160 1.00 0.00 C ATOM 209 O ALA A 15 3.486 7.517 -3.479 1.00 0.00 O ATOM 210 CB ALA A 15 0.687 9.124 -3.577 1.00 0.00 C ATOM 0 H ALA A 15 0.216 8.747 -5.938 1.00 0.00 H new ATOM 0 HA ALA A 15 2.570 9.575 -4.579 1.00 0.00 H new ATOM 0 HB1 ALA A 15 1.101 9.151 -2.569 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.250 10.094 -3.816 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -0.084 8.355 -3.633 1.00 0.00 H new ATOM 216 N VAL A 16 1.895 6.372 -4.573 1.00 0.00 N ATOM 217 CA VAL A 16 2.406 5.089 -4.147 1.00 0.00 C ATOM 218 C VAL A 16 3.486 4.571 -5.027 1.00 0.00 C ATOM 219 O VAL A 16 4.529 4.123 -4.551 1.00 0.00 O ATOM 220 CB VAL A 16 1.281 4.055 -3.994 1.00 0.00 C ATOM 221 CG1 VAL A 16 0.281 4.182 -5.121 1.00 0.00 C ATOM 222 CG2 VAL A 16 1.827 2.638 -3.903 1.00 0.00 C ATOM 0 H VAL A 16 1.089 6.326 -5.197 1.00 0.00 H new ATOM 0 HA VAL A 16 2.854 5.256 -3.167 1.00 0.00 H new ATOM 0 HB VAL A 16 0.767 4.263 -3.056 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.507 3.440 -4.993 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.155 5.181 -5.110 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.784 4.017 -6.074 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.000 1.936 -3.796 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.386 2.405 -4.809 1.00 0.00 H new ATOM 0 HG23 VAL A 16 2.487 2.557 -3.039 1.00 0.00 H new ATOM 232 N ARG A 17 3.240 4.618 -6.299 1.00 0.00 N ATOM 233 CA ARG A 17 4.202 4.133 -7.229 1.00 0.00 C ATOM 234 C ARG A 17 5.537 4.775 -7.009 1.00 0.00 C ATOM 235 O ARG A 17 6.581 4.118 -7.074 1.00 0.00 O ATOM 236 CB ARG A 17 3.683 4.299 -8.649 1.00 0.00 C ATOM 237 CG ARG A 17 2.421 3.502 -8.911 1.00 0.00 C ATOM 238 CD ARG A 17 2.309 2.285 -8.011 1.00 0.00 C ATOM 239 NE ARG A 17 1.025 2.191 -7.403 1.00 0.00 N ATOM 240 CZ ARG A 17 0.776 1.369 -6.432 1.00 0.00 C ATOM 241 NH1 ARG A 17 1.591 0.368 -6.166 1.00 0.00 N ATOM 242 NH2 ARG A 17 -0.313 1.513 -5.753 1.00 0.00 N ATOM 0 H ARG A 17 2.384 4.986 -6.713 1.00 0.00 H new ATOM 0 HA ARG A 17 4.355 3.066 -7.067 1.00 0.00 H new ATOM 0 HB2 ARG A 17 3.486 5.354 -8.838 1.00 0.00 H new ATOM 0 HB3 ARG A 17 4.456 3.988 -9.352 1.00 0.00 H new ATOM 0 HG2 ARG A 17 1.552 4.143 -8.761 1.00 0.00 H new ATOM 0 HG3 ARG A 17 2.406 3.183 -9.953 1.00 0.00 H new ATOM 0 HD2 ARG A 17 2.502 1.384 -8.593 1.00 0.00 H new ATOM 0 HD3 ARG A 17 3.075 2.334 -7.237 1.00 0.00 H new ATOM 0 HE ARG A 17 0.274 2.792 -7.744 1.00 0.00 H new ATOM 0 HH11 ARG A 17 2.432 0.232 -6.728 1.00 0.00 H new ATOM 0 HH12 ARG A 17 1.381 -0.270 -5.399 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -0.962 2.265 -5.984 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -0.524 0.875 -4.986 1.00 0.00 H new ATOM 256 N VAL A 18 5.517 6.030 -6.675 1.00 0.00 N ATOM 257 CA VAL A 18 6.748 6.704 -6.442 1.00 0.00 C ATOM 258 C VAL A 18 7.338 6.265 -5.115 1.00 0.00 C ATOM 259 O VAL A 18 8.485 5.867 -5.052 1.00 0.00 O ATOM 260 CB VAL A 18 6.552 8.227 -6.448 1.00 0.00 C ATOM 261 CG1 VAL A 18 5.989 8.674 -7.788 1.00 0.00 C ATOM 262 CG2 VAL A 18 5.634 8.648 -5.304 1.00 0.00 C ATOM 0 H VAL A 18 4.676 6.596 -6.560 1.00 0.00 H new ATOM 0 HA VAL A 18 7.436 6.444 -7.247 1.00 0.00 H new ATOM 0 HB VAL A 18 7.518 8.710 -6.302 1.00 0.00 H new ATOM 0 HG11 VAL A 18 5.853 9.756 -7.783 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.681 8.399 -8.584 1.00 0.00 H new ATOM 0 HG13 VAL A 18 5.028 8.189 -7.959 1.00 0.00 H new ATOM 0 HG21 VAL A 18 5.504 9.730 -5.321 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.664 8.164 -5.419 1.00 0.00 H new ATOM 0 HG23 VAL A 18 6.077 8.351 -4.354 1.00 0.00 H new ATOM 272 N PHE A 19 6.497 6.197 -4.094 1.00 0.00 N ATOM 273 CA PHE A 19 6.961 5.907 -2.745 1.00 0.00 C ATOM 274 C PHE A 19 7.547 4.502 -2.552 1.00 0.00 C ATOM 275 O PHE A 19 8.578 4.344 -1.877 1.00 0.00 O ATOM 276 CB PHE A 19 5.848 6.266 -1.723 1.00 0.00 C ATOM 277 CG PHE A 19 4.792 5.232 -1.381 1.00 0.00 C ATOM 278 CD1 PHE A 19 5.089 3.904 -1.160 1.00 0.00 C ATOM 279 CD2 PHE A 19 3.476 5.627 -1.270 1.00 0.00 C ATOM 280 CE1 PHE A 19 4.098 2.994 -0.855 1.00 0.00 C ATOM 281 CE2 PHE A 19 2.478 4.726 -0.960 1.00 0.00 C ATOM 282 CZ PHE A 19 2.791 3.406 -0.760 1.00 0.00 C ATOM 0 H PHE A 19 5.490 6.339 -4.173 1.00 0.00 H new ATOM 0 HA PHE A 19 7.823 6.547 -2.557 1.00 0.00 H new ATOM 0 HB2 PHE A 19 6.338 6.554 -0.793 1.00 0.00 H new ATOM 0 HB3 PHE A 19 5.332 7.150 -2.098 1.00 0.00 H new ATOM 0 HD1 PHE A 19 6.114 3.571 -1.227 1.00 0.00 H new ATOM 0 HD2 PHE A 19 3.221 6.664 -1.429 1.00 0.00 H new ATOM 0 HE1 PHE A 19 4.350 1.957 -0.691 1.00 0.00 H new ATOM 0 HE2 PHE A 19 1.454 5.059 -0.875 1.00 0.00 H new ATOM 0 HZ PHE A 19 2.013 2.693 -0.529 1.00 0.00 H new ATOM 292 N THR A 20 6.966 3.477 -3.159 1.00 0.00 N ATOM 293 CA THR A 20 7.495 2.150 -2.911 1.00 0.00 C ATOM 294 C THR A 20 8.718 1.860 -3.750 1.00 0.00 C ATOM 295 O THR A 20 9.739 1.433 -3.206 1.00 0.00 O ATOM 296 CB THR A 20 6.459 1.041 -3.071 1.00 0.00 C ATOM 297 OG1 THR A 20 5.639 0.985 -1.910 1.00 0.00 O ATOM 298 CG2 THR A 20 7.138 -0.294 -3.287 1.00 0.00 C ATOM 0 H THR A 20 6.170 3.532 -3.794 1.00 0.00 H new ATOM 0 HA THR A 20 7.791 2.154 -1.862 1.00 0.00 H new ATOM 0 HB THR A 20 5.842 1.259 -3.943 1.00 0.00 H new ATOM 0 HG1 THR A 20 5.478 1.893 -1.579 1.00 0.00 H new ATOM 0 HG21 THR A 20 6.383 -1.072 -3.399 1.00 0.00 H new ATOM 0 HG22 THR A 20 7.750 -0.250 -4.188 1.00 0.00 H new ATOM 0 HG23 THR A 20 7.771 -0.523 -2.430 1.00 0.00 H new ATOM 306 N GLN A 21 8.658 2.073 -5.064 1.00 0.00 N ATOM 307 CA GLN A 21 9.844 1.819 -5.846 1.00 0.00 C ATOM 308 C GLN A 21 10.911 2.807 -5.418 1.00 0.00 C ATOM 309 O GLN A 21 12.071 2.665 -5.763 1.00 0.00 O ATOM 310 CB GLN A 21 9.594 1.846 -7.353 1.00 0.00 C ATOM 311 CG GLN A 21 9.138 0.490 -7.916 1.00 0.00 C ATOM 312 CD GLN A 21 9.791 -0.689 -7.236 1.00 0.00 C ATOM 313 OE1 GLN A 21 9.164 -1.165 -6.166 1.00 0.00 O flip ATOM 314 NE2 GLN A 21 10.842 -1.167 -7.661 1.00 0.00 N flip ATOM 0 H GLN A 21 7.842 2.403 -5.579 1.00 0.00 H new ATOM 0 HA GLN A 21 10.183 0.802 -5.651 1.00 0.00 H new ATOM 0 HB2 GLN A 21 8.837 2.598 -7.576 1.00 0.00 H new ATOM 0 HB3 GLN A 21 10.508 2.154 -7.861 1.00 0.00 H new ATOM 0 HG2 GLN A 21 8.056 0.407 -7.813 1.00 0.00 H new ATOM 0 HG3 GLN A 21 9.360 0.454 -8.983 1.00 0.00 H new ATOM 0 HE21 GLN A 21 11.287 -0.767 -8.487 1.00 0.00 H new ATOM 0 HE22 GLN A 21 11.268 -1.963 -7.187 1.00 0.00 H new ATOM 323 N LEU A 22 10.507 3.825 -4.652 1.00 0.00 N ATOM 324 CA LEU A 22 11.477 4.768 -4.126 1.00 0.00 C ATOM 325 C LEU A 22 12.454 3.971 -3.294 1.00 0.00 C ATOM 326 O LEU A 22 13.664 4.159 -3.384 1.00 0.00 O ATOM 327 CB LEU A 22 10.830 5.850 -3.241 1.00 0.00 C ATOM 328 CG LEU A 22 10.446 7.181 -3.921 1.00 0.00 C ATOM 329 CD1 LEU A 22 11.065 8.342 -3.174 1.00 0.00 C ATOM 330 CD2 LEU A 22 10.846 7.222 -5.396 1.00 0.00 C ATOM 0 H LEU A 22 9.538 4.008 -4.392 1.00 0.00 H new ATOM 0 HA LEU A 22 11.958 5.285 -4.957 1.00 0.00 H new ATOM 0 HB2 LEU A 22 9.930 5.427 -2.794 1.00 0.00 H new ATOM 0 HB3 LEU A 22 11.517 6.074 -2.425 1.00 0.00 H new ATOM 0 HG LEU A 22 9.360 7.262 -3.885 1.00 0.00 H new ATOM 0 HD11 LEU A 22 10.789 9.277 -3.661 1.00 0.00 H new ATOM 0 HD12 LEU A 22 10.703 8.348 -2.146 1.00 0.00 H new ATOM 0 HD13 LEU A 22 12.150 8.239 -3.176 1.00 0.00 H new ATOM 0 HD21 LEU A 22 10.553 8.180 -5.826 1.00 0.00 H new ATOM 0 HD22 LEU A 22 11.926 7.100 -5.484 1.00 0.00 H new ATOM 0 HD23 LEU A 22 10.345 6.415 -5.931 1.00 0.00 H new ATOM 342 N SER A 23 11.906 3.064 -2.484 1.00 0.00 N ATOM 343 CA SER A 23 12.738 2.207 -1.642 1.00 0.00 C ATOM 344 C SER A 23 13.456 1.124 -2.467 1.00 0.00 C ATOM 345 O SER A 23 14.661 0.915 -2.307 1.00 0.00 O ATOM 346 CB SER A 23 11.906 1.573 -0.518 1.00 0.00 C ATOM 347 OG SER A 23 11.658 2.510 0.515 1.00 0.00 O ATOM 0 H SER A 23 10.902 2.906 -2.394 1.00 0.00 H new ATOM 0 HA SER A 23 13.504 2.837 -1.190 1.00 0.00 H new ATOM 0 HB2 SER A 23 10.960 1.210 -0.920 1.00 0.00 H new ATOM 0 HB3 SER A 23 12.433 0.709 -0.113 1.00 0.00 H new ATOM 0 HG SER A 23 10.695 2.680 0.578 1.00 0.00 H new ATOM 353 N SER A 24 12.729 0.431 -3.344 1.00 0.00 N ATOM 354 CA SER A 24 13.333 -0.616 -4.174 1.00 0.00 C ATOM 355 C SER A 24 14.328 -0.042 -5.164 1.00 0.00 C ATOM 356 O SER A 24 15.496 -0.431 -5.173 1.00 0.00 O ATOM 357 CB SER A 24 12.270 -1.395 -4.931 1.00 0.00 C ATOM 358 OG SER A 24 12.828 -2.072 -6.044 1.00 0.00 O ATOM 0 H SER A 24 11.731 0.572 -3.499 1.00 0.00 H new ATOM 0 HA SER A 24 13.860 -1.288 -3.497 1.00 0.00 H new ATOM 0 HB2 SER A 24 11.798 -2.115 -4.263 1.00 0.00 H new ATOM 0 HB3 SER A 24 11.489 -0.715 -5.270 1.00 0.00 H new ATOM 0 HG SER A 24 12.837 -3.036 -5.870 1.00 0.00 H new ATOM 364 N ALA A 25 13.852 0.863 -6.015 1.00 0.00 N ATOM 365 CA ALA A 25 14.710 1.498 -6.999 1.00 0.00 C ATOM 366 C ALA A 25 15.963 1.994 -6.303 1.00 0.00 C ATOM 367 O ALA A 25 17.053 1.990 -6.871 1.00 0.00 O ATOM 368 CB ALA A 25 13.980 2.649 -7.695 1.00 0.00 C ATOM 0 H ALA A 25 12.879 1.169 -6.040 1.00 0.00 H new ATOM 0 HA ALA A 25 14.983 0.775 -7.768 1.00 0.00 H new ATOM 0 HB1 ALA A 25 14.642 3.110 -8.428 1.00 0.00 H new ATOM 0 HB2 ALA A 25 13.093 2.265 -8.198 1.00 0.00 H new ATOM 0 HB3 ALA A 25 13.684 3.393 -6.955 1.00 0.00 H new ATOM 374 N ALA A 26 15.791 2.381 -5.043 1.00 0.00 N ATOM 375 CA ALA A 26 16.893 2.874 -4.230 1.00 0.00 C ATOM 376 C ALA A 26 17.976 1.818 -4.055 1.00 0.00 C ATOM 377 O ALA A 26 19.165 2.141 -4.086 1.00 0.00 O ATOM 378 CB ALA A 26 16.398 3.342 -2.868 1.00 0.00 C ATOM 0 H ALA A 26 14.892 2.362 -4.562 1.00 0.00 H new ATOM 0 HA ALA A 26 17.327 3.723 -4.758 1.00 0.00 H new ATOM 0 HB1 ALA A 26 17.241 3.706 -2.280 1.00 0.00 H new ATOM 0 HB2 ALA A 26 15.674 4.146 -3.001 1.00 0.00 H new ATOM 0 HB3 ALA A 26 15.924 2.510 -2.347 1.00 0.00 H new ATOM 384 N ASN A 27 17.581 0.555 -3.877 1.00 0.00 N ATOM 385 CA ASN A 27 18.577 -0.498 -3.687 1.00 0.00 C ATOM 386 C ASN A 27 18.026 -1.927 -3.775 1.00 0.00 C ATOM 387 O ASN A 27 18.719 -2.813 -4.275 1.00 0.00 O ATOM 388 CB ASN A 27 19.269 -0.309 -2.335 1.00 0.00 C ATOM 389 CG ASN A 27 18.347 -0.554 -1.149 1.00 0.00 C ATOM 390 OD1 ASN A 27 17.043 -0.361 -1.341 1.00 0.00 O flip ATOM 391 ND2 ASN A 27 18.805 -0.923 -0.068 1.00 0.00 N flip ATOM 0 H ASN A 27 16.610 0.244 -3.861 1.00 0.00 H new ATOM 0 HA ASN A 27 19.277 -0.394 -4.516 1.00 0.00 H new ATOM 0 HB2 ASN A 27 20.120 -0.988 -2.272 1.00 0.00 H new ATOM 0 HB3 ASN A 27 19.665 0.705 -2.276 1.00 0.00 H new ATOM 0 HD21 ASN A 27 19.810 -1.060 0.040 1.00 0.00 H new ATOM 0 HD22 ASN A 27 18.180 -1.092 0.720 1.00 0.00 H new ATOM 398 N CYS A 28 16.799 -2.170 -3.309 1.00 0.00 N ATOM 399 CA CYS A 28 16.264 -3.533 -3.318 1.00 0.00 C ATOM 400 C CYS A 28 14.800 -3.597 -2.896 1.00 0.00 C ATOM 401 O CYS A 28 14.295 -2.696 -2.253 1.00 0.00 O ATOM 402 CB CYS A 28 17.099 -4.383 -2.357 1.00 0.00 C ATOM 403 SG CYS A 28 16.187 -5.697 -1.492 1.00 0.00 S ATOM 0 H CYS A 28 16.171 -1.461 -2.930 1.00 0.00 H new ATOM 0 HA CYS A 28 16.319 -3.907 -4.340 1.00 0.00 H new ATOM 0 HB2 CYS A 28 17.916 -4.838 -2.917 1.00 0.00 H new ATOM 0 HB3 CYS A 28 17.549 -3.725 -1.613 1.00 0.00 H new ATOM 408 N ASP A 29 14.131 -4.681 -3.276 1.00 0.00 N ATOM 409 CA ASP A 29 12.732 -4.908 -2.910 1.00 0.00 C ATOM 410 C ASP A 29 12.622 -6.101 -1.959 1.00 0.00 C ATOM 411 O ASP A 29 13.442 -7.018 -2.029 1.00 0.00 O ATOM 412 CB ASP A 29 11.891 -5.172 -4.161 1.00 0.00 C ATOM 413 CG ASP A 29 12.711 -5.757 -5.295 1.00 0.00 C ATOM 414 OD1 ASP A 29 12.882 -6.994 -5.326 1.00 0.00 O ATOM 415 OD2 ASP A 29 13.180 -4.978 -6.151 1.00 0.00 O ATOM 0 H ASP A 29 14.538 -5.425 -3.843 1.00 0.00 H new ATOM 0 HA ASP A 29 12.357 -4.015 -2.410 1.00 0.00 H new ATOM 0 HB2 ASP A 29 11.079 -5.856 -3.912 1.00 0.00 H new ATOM 0 HB3 ASP A 29 11.432 -4.240 -4.491 1.00 0.00 H new ATOM 420 N TRP A 30 11.621 -6.107 -1.066 1.00 0.00 N ATOM 421 CA TRP A 30 11.473 -7.234 -0.148 1.00 0.00 C ATOM 422 C TRP A 30 11.069 -8.464 -0.954 1.00 0.00 C ATOM 423 O TRP A 30 11.648 -9.539 -0.797 1.00 0.00 O ATOM 424 CB TRP A 30 10.469 -6.947 1.000 1.00 0.00 C ATOM 425 CG TRP A 30 9.144 -6.432 0.578 1.00 0.00 C ATOM 426 CD1 TRP A 30 8.183 -7.051 -0.161 1.00 0.00 C ATOM 427 CD2 TRP A 30 8.631 -5.162 0.929 1.00 0.00 C ATOM 428 NE1 TRP A 30 7.118 -6.203 -0.335 1.00 0.00 N ATOM 429 CE2 TRP A 30 7.379 -5.034 0.331 1.00 0.00 C ATOM 430 CE3 TRP A 30 9.134 -4.109 1.681 1.00 0.00 C ATOM 431 CZ2 TRP A 30 6.625 -3.887 0.459 1.00 0.00 C ATOM 432 CZ3 TRP A 30 8.386 -2.971 1.816 1.00 0.00 C ATOM 433 CH2 TRP A 30 7.143 -2.860 1.206 1.00 0.00 C ATOM 0 H TRP A 30 10.925 -5.368 -0.964 1.00 0.00 H new ATOM 0 HA TRP A 30 12.429 -7.411 0.344 1.00 0.00 H new ATOM 0 HB2 TRP A 30 10.318 -7.867 1.565 1.00 0.00 H new ATOM 0 HB3 TRP A 30 10.920 -6.225 1.681 1.00 0.00 H new ATOM 0 HD1 TRP A 30 8.249 -8.056 -0.551 1.00 0.00 H new ATOM 0 HE1 TRP A 30 6.274 -6.408 -0.870 1.00 0.00 H new ATOM 0 HE3 TRP A 30 10.102 -4.187 2.153 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 5.658 -3.800 -0.014 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 8.767 -2.149 2.404 1.00 0.00 H new ATOM 0 HH2 TRP A 30 6.575 -1.949 1.322 1.00 0.00 H new ATOM 444 N ALA A 31 10.095 -8.261 -1.848 1.00 0.00 N ATOM 445 CA ALA A 31 9.588 -9.300 -2.743 1.00 0.00 C ATOM 446 C ALA A 31 8.806 -10.377 -1.991 1.00 0.00 C ATOM 447 O ALA A 31 7.728 -10.800 -2.413 1.00 0.00 O ATOM 448 CB ALA A 31 10.739 -9.915 -3.518 1.00 0.00 C ATOM 0 H ALA A 31 9.633 -7.360 -1.970 1.00 0.00 H new ATOM 0 HA ALA A 31 8.892 -8.832 -3.439 1.00 0.00 H new ATOM 0 HB1 ALA A 31 10.357 -10.689 -4.184 1.00 0.00 H new ATOM 0 HB2 ALA A 31 11.235 -9.143 -4.106 1.00 0.00 H new ATOM 0 HB3 ALA A 31 11.452 -10.355 -2.821 1.00 0.00 H new ATOM 454 N ALA A 32 9.353 -10.815 -0.875 1.00 0.00 N ATOM 455 CA ALA A 32 8.720 -11.844 -0.067 1.00 0.00 C ATOM 456 C ALA A 32 7.435 -11.333 0.573 1.00 0.00 C ATOM 457 O ALA A 32 6.429 -12.045 0.638 1.00 0.00 O ATOM 458 CB ALA A 32 9.683 -12.339 1.003 1.00 0.00 C ATOM 0 H ALA A 32 10.239 -10.474 -0.503 1.00 0.00 H new ATOM 0 HA ALA A 32 8.460 -12.675 -0.723 1.00 0.00 H new ATOM 0 HB1 ALA A 32 9.197 -13.109 1.602 1.00 0.00 H new ATOM 0 HB2 ALA A 32 10.572 -12.755 0.528 1.00 0.00 H new ATOM 0 HB3 ALA A 32 9.971 -11.507 1.646 1.00 0.00 H new ATOM 464 N CYS A 33 7.465 -10.088 1.034 1.00 0.00 N ATOM 465 CA CYS A 33 6.306 -9.499 1.683 1.00 0.00 C ATOM 466 C CYS A 33 5.175 -9.237 0.707 1.00 0.00 C ATOM 467 O CYS A 33 4.039 -9.572 0.983 1.00 0.00 O ATOM 468 CB CYS A 33 6.666 -8.208 2.396 1.00 0.00 C ATOM 469 SG CYS A 33 6.086 -8.153 4.126 1.00 0.00 S ATOM 0 H CYS A 33 8.275 -9.472 0.970 1.00 0.00 H new ATOM 0 HA CYS A 33 5.964 -10.229 2.416 1.00 0.00 H new ATOM 0 HB2 CYS A 33 7.748 -8.081 2.379 1.00 0.00 H new ATOM 0 HB3 CYS A 33 6.238 -7.368 1.850 1.00 0.00 H new ATOM 474 N LEU A 34 5.467 -8.632 -0.427 1.00 0.00 N ATOM 475 CA LEU A 34 4.410 -8.352 -1.384 1.00 0.00 C ATOM 476 C LEU A 34 3.613 -9.610 -1.684 1.00 0.00 C ATOM 477 O LEU A 34 2.401 -9.552 -1.883 1.00 0.00 O ATOM 478 CB LEU A 34 4.962 -7.718 -2.648 1.00 0.00 C ATOM 479 CG LEU A 34 6.359 -8.176 -3.035 1.00 0.00 C ATOM 480 CD1 LEU A 34 6.284 -9.205 -4.151 1.00 0.00 C ATOM 481 CD2 LEU A 34 7.206 -6.989 -3.442 1.00 0.00 C ATOM 0 H LEU A 34 6.401 -8.331 -0.706 1.00 0.00 H new ATOM 0 HA LEU A 34 3.729 -7.627 -0.937 1.00 0.00 H new ATOM 0 HB2 LEU A 34 4.283 -7.935 -3.472 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.973 -6.636 -2.520 1.00 0.00 H new ATOM 0 HG LEU A 34 6.830 -8.647 -2.172 1.00 0.00 H new ATOM 0 HD11 LEU A 34 7.291 -9.525 -4.419 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.707 -10.066 -3.814 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.800 -8.763 -5.022 1.00 0.00 H new ATOM 0 HD21 LEU A 34 8.204 -7.331 -3.717 1.00 0.00 H new ATOM 0 HD22 LEU A 34 6.746 -6.489 -4.295 1.00 0.00 H new ATOM 0 HD23 LEU A 34 7.279 -6.291 -2.608 1.00 0.00 H new ATOM 493 N SER A 35 4.292 -10.748 -1.715 1.00 0.00 N ATOM 494 CA SER A 35 3.607 -12.014 -1.926 1.00 0.00 C ATOM 495 C SER A 35 2.610 -12.214 -0.790 1.00 0.00 C ATOM 496 O SER A 35 1.523 -12.759 -0.972 1.00 0.00 O ATOM 497 CB SER A 35 4.612 -13.161 -1.936 1.00 0.00 C ATOM 498 OG SER A 35 3.969 -14.405 -2.151 1.00 0.00 O ATOM 0 H SER A 35 5.303 -10.821 -1.598 1.00 0.00 H new ATOM 0 HA SER A 35 3.090 -12.000 -2.886 1.00 0.00 H new ATOM 0 HB2 SER A 35 5.353 -12.992 -2.718 1.00 0.00 H new ATOM 0 HB3 SER A 35 5.149 -13.186 -0.988 1.00 0.00 H new ATOM 0 HG SER A 35 4.637 -15.122 -2.154 1.00 0.00 H new ATOM 504 N SER A 36 3.026 -11.754 0.387 1.00 0.00 N ATOM 505 CA SER A 36 2.221 -11.834 1.613 1.00 0.00 C ATOM 506 C SER A 36 0.825 -11.215 1.444 1.00 0.00 C ATOM 507 O SER A 36 -0.159 -11.771 1.928 1.00 0.00 O ATOM 508 CB SER A 36 2.961 -11.148 2.768 1.00 0.00 C ATOM 509 OG SER A 36 2.634 -11.741 4.012 1.00 0.00 O ATOM 0 H SER A 36 3.935 -11.312 0.523 1.00 0.00 H new ATOM 0 HA SER A 36 2.079 -12.891 1.837 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.037 -11.213 2.603 1.00 0.00 H new ATOM 0 HB3 SER A 36 2.705 -10.089 2.789 1.00 0.00 H new ATOM 0 HG SER A 36 3.121 -11.285 4.730 1.00 0.00 H new ATOM 515 N LEU A 37 0.727 -10.054 0.785 1.00 0.00 N ATOM 516 CA LEU A 37 -0.585 -9.426 0.573 1.00 0.00 C ATOM 517 C LEU A 37 -1.378 -10.322 -0.336 1.00 0.00 C ATOM 518 O LEU A 37 -2.500 -10.710 -0.025 1.00 0.00 O ATOM 519 CB LEU A 37 -0.490 -8.025 -0.052 1.00 0.00 C ATOM 520 CG LEU A 37 -1.745 -7.563 -0.797 1.00 0.00 C ATOM 521 CD1 LEU A 37 -2.897 -7.354 0.172 1.00 0.00 C ATOM 522 CD2 LEU A 37 -1.473 -6.303 -1.592 1.00 0.00 C ATOM 0 H LEU A 37 1.518 -9.540 0.397 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.063 -9.301 1.545 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.268 -7.306 0.737 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.352 -8.009 -0.744 1.00 0.00 H new ATOM 0 HG LEU A 37 -2.028 -8.346 -1.500 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.779 -7.026 -0.377 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.116 -8.291 0.684 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.623 -6.595 0.905 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.381 -5.997 -2.111 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.156 -5.508 -0.917 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.686 -6.496 -2.321 1.00 0.00 H new ATOM 534 N SER A 38 -0.762 -10.657 -1.461 1.00 0.00 N ATOM 535 CA SER A 38 -1.383 -11.536 -2.429 1.00 0.00 C ATOM 536 C SER A 38 -1.541 -12.932 -1.835 1.00 0.00 C ATOM 537 O SER A 38 -2.042 -13.847 -2.483 1.00 0.00 O ATOM 538 CB SER A 38 -0.557 -11.583 -3.720 1.00 0.00 C ATOM 539 OG SER A 38 -0.170 -12.908 -4.038 1.00 0.00 O ATOM 0 H SER A 38 0.168 -10.330 -1.722 1.00 0.00 H new ATOM 0 HA SER A 38 -2.371 -11.149 -2.676 1.00 0.00 H new ATOM 0 HB2 SER A 38 -1.139 -11.165 -4.542 1.00 0.00 H new ATOM 0 HB3 SER A 38 0.330 -10.960 -3.609 1.00 0.00 H new ATOM 0 HG SER A 38 -0.906 -13.522 -3.834 1.00 0.00 H new ATOM 545 N ALA A 39 -1.105 -13.080 -0.588 1.00 0.00 N ATOM 546 CA ALA A 39 -1.204 -14.349 0.120 1.00 0.00 C ATOM 547 C ALA A 39 -2.533 -14.433 0.859 1.00 0.00 C ATOM 548 O ALA A 39 -3.328 -15.332 0.591 1.00 0.00 O ATOM 549 CB ALA A 39 -0.039 -14.518 1.083 1.00 0.00 C ATOM 0 H ALA A 39 -0.677 -12.330 -0.045 1.00 0.00 H new ATOM 0 HA ALA A 39 -1.160 -15.160 -0.607 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -0.131 -15.472 1.602 1.00 0.00 H new ATOM 0 HB2 ALA A 39 0.898 -14.497 0.527 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -0.048 -13.707 1.811 1.00 0.00 H new ATOM 555 N SER A 40 -2.747 -13.478 1.787 1.00 0.00 N ATOM 556 CA SER A 40 -3.983 -13.373 2.586 1.00 0.00 C ATOM 557 C SER A 40 -3.696 -12.920 4.012 1.00 0.00 C ATOM 558 O SER A 40 -3.013 -13.610 4.768 1.00 0.00 O ATOM 559 CB SER A 40 -4.755 -14.696 2.649 1.00 0.00 C ATOM 560 OG SER A 40 -3.936 -15.744 3.141 1.00 0.00 O ATOM 0 H SER A 40 -2.062 -12.754 2.004 1.00 0.00 H new ATOM 0 HA SER A 40 -4.594 -12.628 2.076 1.00 0.00 H new ATOM 0 HB2 SER A 40 -5.628 -14.581 3.292 1.00 0.00 H new ATOM 0 HB3 SER A 40 -5.122 -14.954 1.656 1.00 0.00 H new ATOM 0 HG SER A 40 -3.501 -16.200 2.390 1.00 0.00 H new ATOM 566 N SER A 41 -4.222 -11.752 4.374 1.00 0.00 N ATOM 567 CA SER A 41 -4.067 -11.232 5.724 1.00 0.00 C ATOM 568 C SER A 41 -5.439 -11.090 6.347 1.00 0.00 C ATOM 569 O SER A 41 -6.370 -10.605 5.709 1.00 0.00 O ATOM 570 CB SER A 41 -3.357 -9.877 5.745 1.00 0.00 C ATOM 571 OG SER A 41 -2.642 -9.697 6.954 1.00 0.00 O ATOM 0 H SER A 41 -4.759 -11.150 3.749 1.00 0.00 H new ATOM 0 HA SER A 41 -3.450 -11.931 6.289 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.672 -9.808 4.900 1.00 0.00 H new ATOM 0 HB3 SER A 41 -4.089 -9.077 5.629 1.00 0.00 H new ATOM 0 HG SER A 41 -2.195 -8.825 6.943 1.00 0.00 H new ATOM 577 N ALA A 42 -5.555 -11.500 7.597 1.00 0.00 N ATOM 578 CA ALA A 42 -6.826 -11.430 8.310 1.00 0.00 C ATOM 579 C ALA A 42 -7.332 -9.998 8.360 1.00 0.00 C ATOM 580 O ALA A 42 -8.465 -9.734 8.765 1.00 0.00 O ATOM 581 CB ALA A 42 -6.669 -11.982 9.715 1.00 0.00 C ATOM 0 H ALA A 42 -4.785 -11.886 8.144 1.00 0.00 H new ATOM 0 HA ALA A 42 -7.557 -12.035 7.774 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -7.624 -11.925 10.237 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -6.346 -13.022 9.663 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.924 -11.397 10.255 1.00 0.00 H new ATOM 587 N ALA A 43 -6.479 -9.082 7.930 1.00 0.00 N ATOM 588 CA ALA A 43 -6.794 -7.669 7.946 1.00 0.00 C ATOM 589 C ALA A 43 -7.522 -7.203 6.697 1.00 0.00 C ATOM 590 O ALA A 43 -8.643 -6.723 6.791 1.00 0.00 O ATOM 591 CB ALA A 43 -5.513 -6.874 8.147 1.00 0.00 C ATOM 0 H ALA A 43 -5.553 -9.299 7.562 1.00 0.00 H new ATOM 0 HA ALA A 43 -7.480 -7.496 8.775 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.744 -5.809 8.160 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -5.054 -7.157 9.094 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -4.822 -7.085 7.331 1.00 0.00 H new ATOM 597 N CYS A 44 -6.896 -7.349 5.538 1.00 0.00 N ATOM 598 CA CYS A 44 -7.497 -6.899 4.286 1.00 0.00 C ATOM 599 C CYS A 44 -8.985 -7.222 4.205 1.00 0.00 C ATOM 600 O CYS A 44 -9.767 -6.469 3.620 1.00 0.00 O ATOM 601 CB CYS A 44 -6.744 -7.479 3.093 1.00 0.00 C ATOM 602 SG CYS A 44 -5.595 -8.834 3.502 1.00 0.00 S ATOM 0 H CYS A 44 -5.974 -7.774 5.436 1.00 0.00 H new ATOM 0 HA CYS A 44 -7.412 -5.813 4.259 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -7.469 -7.843 2.365 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -6.183 -6.678 2.611 1.00 0.00 H new ATOM 607 N ILE A 45 -9.373 -8.333 4.793 1.00 0.00 N ATOM 608 CA ILE A 45 -10.768 -8.739 4.795 1.00 0.00 C ATOM 609 C ILE A 45 -11.531 -8.049 5.925 1.00 0.00 C ATOM 610 O ILE A 45 -12.615 -7.453 5.723 1.00 0.00 O ATOM 611 CB ILE A 45 -10.918 -10.267 4.901 1.00 0.00 C ATOM 612 CG1 ILE A 45 -9.622 -10.962 4.480 1.00 0.00 C ATOM 613 CG2 ILE A 45 -12.073 -10.739 4.030 1.00 0.00 C ATOM 614 CD1 ILE A 45 -8.950 -11.723 5.602 1.00 0.00 C ATOM 0 H ILE A 45 -8.744 -8.974 5.277 1.00 0.00 H new ATOM 0 HA ILE A 45 -11.197 -8.430 3.842 1.00 0.00 H new ATOM 0 HB ILE A 45 -11.128 -10.526 5.939 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -9.838 -11.651 3.663 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -8.929 -10.216 4.092 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -12.171 -11.821 4.111 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -12.997 -10.265 4.362 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -11.880 -10.469 2.992 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -8.038 -12.190 5.230 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -8.702 -11.035 6.411 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -9.625 -12.493 5.975 1.00 0.00 H new ATOM 626 N ALA A 46 -10.939 -8.080 7.115 1.00 0.00 N ATOM 627 CA ALA A 46 -11.572 -7.432 8.259 1.00 0.00 C ATOM 628 C ALA A 46 -11.741 -5.976 7.885 1.00 0.00 C ATOM 629 O ALA A 46 -12.566 -5.223 8.420 1.00 0.00 O ATOM 630 CB ALA A 46 -10.727 -7.589 9.513 1.00 0.00 C ATOM 0 H ALA A 46 -10.047 -8.533 7.311 1.00 0.00 H new ATOM 0 HA ALA A 46 -12.536 -7.888 8.486 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -11.223 -7.097 10.350 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.602 -8.648 9.737 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -9.749 -7.135 9.352 1.00 0.00 H new ATOM 636 N ALA A 47 -10.939 -5.625 6.904 1.00 0.00 N ATOM 637 CA ALA A 47 -10.902 -4.310 6.344 1.00 0.00 C ATOM 638 C ALA A 47 -12.175 -4.028 5.579 1.00 0.00 C ATOM 639 O ALA A 47 -12.788 -2.978 5.755 1.00 0.00 O ATOM 640 CB ALA A 47 -9.709 -4.211 5.424 1.00 0.00 C ATOM 0 H ALA A 47 -10.280 -6.271 6.468 1.00 0.00 H new ATOM 0 HA ALA A 47 -10.816 -3.573 7.143 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -9.667 -3.213 4.989 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -8.797 -4.399 5.990 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -9.801 -4.950 4.628 1.00 0.00 H new ATOM 646 N VAL A 48 -12.580 -4.984 4.742 1.00 0.00 N ATOM 647 CA VAL A 48 -13.785 -4.823 3.937 1.00 0.00 C ATOM 648 C VAL A 48 -14.875 -4.188 4.756 1.00 0.00 C ATOM 649 O VAL A 48 -15.665 -3.387 4.260 1.00 0.00 O ATOM 650 CB VAL A 48 -14.317 -6.169 3.412 1.00 0.00 C ATOM 651 CG1 VAL A 48 -15.436 -5.947 2.404 1.00 0.00 C ATOM 652 CG2 VAL A 48 -13.204 -6.998 2.804 1.00 0.00 C ATOM 0 H VAL A 48 -12.094 -5.870 4.606 1.00 0.00 H new ATOM 0 HA VAL A 48 -13.512 -4.193 3.091 1.00 0.00 H new ATOM 0 HB VAL A 48 -14.721 -6.723 4.259 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -15.798 -6.910 2.045 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -16.254 -5.407 2.881 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -15.058 -5.365 1.563 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -13.610 -7.943 2.442 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -12.757 -6.453 1.973 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -12.443 -7.196 3.559 1.00 0.00 H new ATOM 662 N GLY A 49 -14.915 -4.561 6.013 1.00 0.00 N ATOM 663 CA GLY A 49 -15.929 -4.015 6.898 1.00 0.00 C ATOM 664 C GLY A 49 -15.576 -2.694 7.585 1.00 0.00 C ATOM 665 O GLY A 49 -16.473 -1.950 7.971 1.00 0.00 O ATOM 0 H GLY A 49 -14.274 -5.226 6.444 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -16.845 -3.870 6.324 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -16.149 -4.755 7.668 1.00 0.00 H new ATOM 669 N GLU A 50 -14.294 -2.373 7.711 1.00 0.00 N ATOM 670 CA GLU A 50 -13.889 -1.189 8.487 1.00 0.00 C ATOM 671 C GLU A 50 -13.495 0.114 7.762 1.00 0.00 C ATOM 672 O GLU A 50 -12.671 0.847 8.294 1.00 0.00 O ATOM 673 CB GLU A 50 -12.868 -1.597 9.522 1.00 0.00 C ATOM 674 CG GLU A 50 -13.531 -2.385 10.617 1.00 0.00 C ATOM 675 CD GLU A 50 -13.495 -1.677 11.958 1.00 0.00 C ATOM 676 OE1 GLU A 50 -12.494 -1.835 12.687 1.00 0.00 O ATOM 677 OE2 GLU A 50 -14.470 -0.964 12.279 1.00 0.00 O ATOM 0 H GLU A 50 -13.524 -2.899 7.298 1.00 0.00 H new ATOM 0 HA GLU A 50 -14.828 -0.861 8.933 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -12.085 -2.195 9.056 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -12.388 -0.712 9.939 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -14.568 -2.579 10.342 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -13.039 -3.353 10.710 1.00 0.00 H new ATOM 684 N LEU A 51 -13.948 0.344 6.528 1.00 0.00 N ATOM 685 CA LEU A 51 -13.708 1.638 5.827 1.00 0.00 C ATOM 686 C LEU A 51 -12.679 1.526 4.739 1.00 0.00 C ATOM 687 O LEU A 51 -11.459 1.442 4.996 1.00 0.00 O ATOM 688 CB LEU A 51 -13.350 2.785 6.766 1.00 0.00 C ATOM 689 CG LEU A 51 -13.519 4.177 6.158 1.00 0.00 C ATOM 690 CD1 LEU A 51 -14.990 4.517 5.949 1.00 0.00 C ATOM 691 CD2 LEU A 51 -12.829 5.232 7.012 1.00 0.00 C ATOM 0 H LEU A 51 -14.481 -0.334 5.984 1.00 0.00 H new ATOM 0 HA LEU A 51 -14.668 1.879 5.370 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -13.971 2.714 7.659 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -12.315 2.666 7.087 1.00 0.00 H new ATOM 0 HG LEU A 51 -13.041 4.171 5.179 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -15.075 5.513 5.515 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -15.440 3.788 5.275 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -15.509 4.493 6.907 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -12.964 6.213 6.557 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -13.263 5.232 8.012 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -11.765 5.007 7.079 1.00 0.00 H new ATOM 703 N GLY A 52 -13.219 1.550 3.517 1.00 0.00 N ATOM 704 CA GLY A 52 -12.451 1.403 2.310 1.00 0.00 C ATOM 705 C GLY A 52 -11.534 0.250 2.444 1.00 0.00 C ATOM 706 O GLY A 52 -10.626 0.056 1.640 1.00 0.00 O ATOM 0 H GLY A 52 -14.218 1.675 3.353 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -13.116 1.255 1.459 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -11.882 2.312 2.115 1.00 0.00 H new ATOM 710 N LEU A 53 -11.827 -0.513 3.485 1.00 0.00 N ATOM 711 CA LEU A 53 -11.094 -1.678 3.868 1.00 0.00 C ATOM 712 C LEU A 53 -10.097 -1.268 4.936 1.00 0.00 C ATOM 713 O LEU A 53 -8.898 -1.509 4.793 1.00 0.00 O ATOM 714 CB LEU A 53 -10.405 -2.376 2.685 1.00 0.00 C ATOM 715 CG LEU A 53 -11.302 -2.814 1.501 1.00 0.00 C ATOM 716 CD1 LEU A 53 -11.136 -4.295 1.217 1.00 0.00 C ATOM 717 CD2 LEU A 53 -12.769 -2.485 1.752 1.00 0.00 C ATOM 0 H LEU A 53 -12.616 -0.318 4.101 1.00 0.00 H new ATOM 0 HA LEU A 53 -11.790 -2.420 4.260 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -9.638 -1.706 2.298 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -9.893 -3.260 3.066 1.00 0.00 H new ATOM 0 HG LEU A 53 -10.979 -2.251 0.626 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -11.776 -4.579 0.382 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -10.096 -4.503 0.965 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -11.417 -4.869 2.100 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -13.365 -2.808 0.899 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -13.110 -3.002 2.649 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -12.883 -1.409 1.888 1.00 0.00 H new ATOM 729 N ASP A 54 -10.615 -0.634 6.015 1.00 0.00 N ATOM 730 CA ASP A 54 -9.777 -0.163 7.114 1.00 0.00 C ATOM 731 C ASP A 54 -8.341 -0.160 6.690 1.00 0.00 C ATOM 732 O ASP A 54 -7.708 -1.207 6.690 1.00 0.00 O ATOM 733 CB ASP A 54 -9.913 -1.066 8.328 1.00 0.00 C ATOM 734 CG ASP A 54 -9.759 -0.315 9.637 1.00 0.00 C ATOM 735 OD1 ASP A 54 -10.582 0.585 9.907 1.00 0.00 O ATOM 736 OD2 ASP A 54 -8.813 -0.625 10.391 1.00 0.00 O ATOM 0 H ASP A 54 -11.610 -0.443 6.136 1.00 0.00 H new ATOM 0 HA ASP A 54 -10.102 0.844 7.375 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -10.888 -1.553 8.306 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -9.162 -1.854 8.275 1.00 0.00 H new ATOM 741 N VAL A 55 -7.825 0.985 6.301 1.00 0.00 N ATOM 742 CA VAL A 55 -6.428 1.023 5.866 1.00 0.00 C ATOM 743 C VAL A 55 -5.531 0.192 6.773 1.00 0.00 C ATOM 744 O VAL A 55 -4.732 -0.589 6.258 1.00 0.00 O ATOM 745 CB VAL A 55 -5.835 2.443 5.712 1.00 0.00 C ATOM 746 CG1 VAL A 55 -4.973 2.847 6.909 1.00 0.00 C ATOM 747 CG2 VAL A 55 -5.019 2.499 4.430 1.00 0.00 C ATOM 0 H VAL A 55 -8.321 1.876 6.273 1.00 0.00 H new ATOM 0 HA VAL A 55 -6.451 0.587 4.867 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.660 3.154 5.667 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -4.580 3.852 6.752 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.579 2.832 7.815 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -4.145 2.146 7.014 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -4.596 3.497 4.311 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.213 1.767 4.479 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -5.662 2.274 3.579 1.00 0.00 H new ATOM 757 N PRO A 56 -5.666 0.303 8.127 1.00 0.00 N ATOM 758 CA PRO A 56 -4.823 -0.460 9.046 1.00 0.00 C ATOM 759 C PRO A 56 -4.953 -1.943 8.777 1.00 0.00 C ATOM 760 O PRO A 56 -4.130 -2.747 9.215 1.00 0.00 O ATOM 761 CB PRO A 56 -5.365 -0.109 10.437 1.00 0.00 C ATOM 762 CG PRO A 56 -6.086 1.179 10.249 1.00 0.00 C ATOM 763 CD PRO A 56 -6.660 1.118 8.865 1.00 0.00 C ATOM 0 HA PRO A 56 -3.765 -0.221 8.941 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -6.033 -0.886 10.809 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -4.558 -0.008 11.162 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -6.872 1.302 10.995 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -5.409 2.027 10.356 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -7.647 0.655 8.857 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -6.770 2.111 8.430 1.00 0.00 H new ATOM 771 N LEU A 57 -6.041 -2.303 8.115 1.00 0.00 N ATOM 772 CA LEU A 57 -6.276 -3.677 7.753 1.00 0.00 C ATOM 773 C LEU A 57 -5.860 -3.997 6.312 1.00 0.00 C ATOM 774 O LEU A 57 -4.900 -4.723 6.098 1.00 0.00 O ATOM 775 CB LEU A 57 -7.733 -4.055 7.980 1.00 0.00 C ATOM 776 CG LEU A 57 -8.253 -3.851 9.408 1.00 0.00 C ATOM 777 CD1 LEU A 57 -9.703 -4.287 9.517 1.00 0.00 C ATOM 778 CD2 LEU A 57 -7.399 -4.614 10.411 1.00 0.00 C ATOM 0 H LEU A 57 -6.772 -1.656 7.820 1.00 0.00 H new ATOM 0 HA LEU A 57 -5.643 -4.279 8.406 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -8.352 -3.470 7.300 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -7.865 -5.103 7.710 1.00 0.00 H new ATOM 0 HG LEU A 57 -8.189 -2.788 9.639 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -10.053 -4.134 10.538 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -10.313 -3.697 8.832 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -9.786 -5.343 9.259 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -7.788 -4.453 11.417 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -7.426 -5.678 10.177 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.370 -4.257 10.359 1.00 0.00 H new ATOM 790 N ASP A 58 -6.591 -3.445 5.331 1.00 0.00 N ATOM 791 CA ASP A 58 -6.346 -3.730 3.907 1.00 0.00 C ATOM 792 C ASP A 58 -5.087 -3.150 3.321 1.00 0.00 C ATOM 793 O ASP A 58 -4.240 -3.894 2.846 1.00 0.00 O ATOM 794 CB ASP A 58 -7.505 -3.250 3.071 1.00 0.00 C ATOM 795 CG ASP A 58 -7.256 -3.412 1.586 1.00 0.00 C ATOM 796 OD1 ASP A 58 -6.618 -4.412 1.195 1.00 0.00 O ATOM 797 OD2 ASP A 58 -7.691 -2.533 0.815 1.00 0.00 O ATOM 0 H ASP A 58 -7.360 -2.796 5.498 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.227 -4.813 3.879 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.402 -3.803 3.348 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.697 -2.200 3.291 1.00 0.00 H new ATOM 802 N LEU A 59 -4.962 -1.839 3.302 1.00 0.00 N ATOM 803 CA LEU A 59 -3.789 -1.251 2.705 1.00 0.00 C ATOM 804 C LEU A 59 -2.624 -1.496 3.586 1.00 0.00 C ATOM 805 O LEU A 59 -1.498 -1.228 3.226 1.00 0.00 O ATOM 806 CB LEU A 59 -3.964 0.206 2.358 1.00 0.00 C ATOM 807 CG LEU A 59 -4.241 0.433 0.880 1.00 0.00 C ATOM 808 CD1 LEU A 59 -2.970 0.357 0.067 1.00 0.00 C ATOM 809 CD2 LEU A 59 -5.267 -0.571 0.353 1.00 0.00 C ATOM 0 H LEU A 59 -5.640 -1.179 3.683 1.00 0.00 H new ATOM 0 HA LEU A 59 -3.613 -1.735 1.745 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -4.786 0.618 2.944 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -3.065 0.753 2.642 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.654 1.436 0.776 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.201 0.523 -0.985 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.272 1.121 0.411 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.519 -0.628 0.188 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.446 -0.386 -0.706 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.886 -1.584 0.485 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.201 -0.460 0.904 1.00 0.00 H new ATOM 821 N ALA A 60 -2.939 -1.913 4.787 1.00 0.00 N ATOM 822 CA ALA A 60 -1.937 -2.276 5.746 1.00 0.00 C ATOM 823 C ALA A 60 -1.606 -3.735 5.506 1.00 0.00 C ATOM 824 O ALA A 60 -0.503 -4.185 5.771 1.00 0.00 O ATOM 825 CB ALA A 60 -2.440 -2.041 7.143 1.00 0.00 C ATOM 0 H ALA A 60 -3.897 -2.009 5.123 1.00 0.00 H new ATOM 0 HA ALA A 60 -1.040 -1.667 5.634 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -1.668 -2.321 7.860 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -2.686 -0.987 7.269 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.331 -2.645 7.315 1.00 0.00 H new ATOM 831 N CYS A 61 -2.610 -4.467 5.013 1.00 0.00 N ATOM 832 CA CYS A 61 -2.443 -5.863 4.630 1.00 0.00 C ATOM 833 C CYS A 61 -1.607 -5.842 3.367 1.00 0.00 C ATOM 834 O CYS A 61 -0.718 -6.667 3.125 1.00 0.00 O ATOM 835 CB CYS A 61 -3.809 -6.514 4.348 1.00 0.00 C ATOM 836 SG CYS A 61 -3.748 -7.994 3.285 1.00 0.00 S ATOM 0 H CYS A 61 -3.554 -4.107 4.871 1.00 0.00 H new ATOM 0 HA CYS A 61 -1.969 -6.441 5.424 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -4.269 -6.785 5.298 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -4.458 -5.774 3.879 1.00 0.00 H new ATOM 841 N ALA A 62 -1.893 -4.818 2.589 1.00 0.00 N ATOM 842 CA ALA A 62 -1.228 -4.579 1.340 1.00 0.00 C ATOM 843 C ALA A 62 0.120 -3.906 1.578 1.00 0.00 C ATOM 844 O ALA A 62 1.124 -4.287 0.974 1.00 0.00 O ATOM 845 CB ALA A 62 -2.131 -3.748 0.450 1.00 0.00 C ATOM 0 H ALA A 62 -2.605 -4.123 2.816 1.00 0.00 H new ATOM 0 HA ALA A 62 -1.027 -5.524 0.835 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -1.633 -3.562 -0.501 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -3.062 -4.286 0.273 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -2.348 -2.798 0.938 1.00 0.00 H new ATOM 851 N ALA A 63 0.136 -2.908 2.469 1.00 0.00 N ATOM 852 CA ALA A 63 1.371 -2.211 2.815 1.00 0.00 C ATOM 853 C ALA A 63 2.282 -3.190 3.493 1.00 0.00 C ATOM 854 O ALA A 63 3.498 -3.150 3.334 1.00 0.00 O ATOM 855 CB ALA A 63 1.119 -1.027 3.733 1.00 0.00 C ATOM 0 H ALA A 63 -0.691 -2.569 2.960 1.00 0.00 H new ATOM 0 HA ALA A 63 1.821 -1.820 1.903 1.00 0.00 H new ATOM 0 HB1 ALA A 63 2.065 -0.538 3.964 1.00 0.00 H new ATOM 0 HB2 ALA A 63 0.456 -0.318 3.238 1.00 0.00 H new ATOM 0 HB3 ALA A 63 0.655 -1.375 4.656 1.00 0.00 H new ATOM 861 N THR A 64 1.669 -4.092 4.244 1.00 0.00 N ATOM 862 CA THR A 64 2.433 -5.124 4.921 1.00 0.00 C ATOM 863 C THR A 64 2.891 -6.132 3.885 1.00 0.00 C ATOM 864 O THR A 64 3.336 -7.230 4.220 1.00 0.00 O ATOM 865 CB THR A 64 1.675 -5.846 6.076 1.00 0.00 C ATOM 866 OG1 THR A 64 2.620 -6.483 6.944 1.00 0.00 O ATOM 867 CG2 THR A 64 0.684 -6.897 5.573 1.00 0.00 C ATOM 0 H THR A 64 0.661 -4.130 4.398 1.00 0.00 H new ATOM 0 HA THR A 64 3.275 -4.630 5.405 1.00 0.00 H new ATOM 0 HB THR A 64 1.106 -5.082 6.606 1.00 0.00 H new ATOM 0 HG1 THR A 64 3.257 -7.002 6.410 1.00 0.00 H new ATOM 0 HG21 THR A 64 0.187 -7.365 6.423 1.00 0.00 H new ATOM 0 HG22 THR A 64 -0.060 -6.420 4.936 1.00 0.00 H new ATOM 0 HG23 THR A 64 1.218 -7.656 5.001 1.00 0.00 H new ATOM 875 N ALA A 65 2.774 -5.742 2.608 1.00 0.00 N ATOM 876 CA ALA A 65 3.159 -6.618 1.527 1.00 0.00 C ATOM 877 C ALA A 65 3.321 -5.911 0.167 1.00 0.00 C ATOM 878 O ALA A 65 4.347 -5.305 -0.096 1.00 0.00 O ATOM 879 CB ALA A 65 2.154 -7.731 1.430 1.00 0.00 C ATOM 0 H ALA A 65 2.418 -4.832 2.315 1.00 0.00 H new ATOM 0 HA ALA A 65 4.150 -7.006 1.763 1.00 0.00 H new ATOM 0 HB1 ALA A 65 2.431 -8.402 0.617 1.00 0.00 H new ATOM 0 HB2 ALA A 65 2.134 -8.286 2.368 1.00 0.00 H new ATOM 0 HB3 ALA A 65 1.166 -7.313 1.235 1.00 0.00 H new ATOM 885 N THR A 66 2.307 -6.009 -0.703 1.00 0.00 N ATOM 886 CA THR A 66 2.394 -5.448 -2.061 1.00 0.00 C ATOM 887 C THR A 66 2.096 -3.958 -2.157 1.00 0.00 C ATOM 888 O THR A 66 2.827 -3.252 -2.850 1.00 0.00 O ATOM 889 CB THR A 66 1.492 -6.208 -3.047 1.00 0.00 C ATOM 890 OG1 THR A 66 1.121 -7.474 -2.500 1.00 0.00 O ATOM 891 CG2 THR A 66 2.201 -6.429 -4.368 1.00 0.00 C ATOM 0 H THR A 66 1.421 -6.469 -0.494 1.00 0.00 H new ATOM 0 HA THR A 66 3.442 -5.576 -2.333 1.00 0.00 H new ATOM 0 HB THR A 66 0.601 -5.605 -3.218 1.00 0.00 H new ATOM 0 HG1 THR A 66 1.908 -8.057 -2.462 1.00 0.00 H new ATOM 0 HG21 THR A 66 1.542 -6.969 -5.049 1.00 0.00 H new ATOM 0 HG22 THR A 66 2.464 -5.466 -4.805 1.00 0.00 H new ATOM 0 HG23 THR A 66 3.107 -7.012 -4.202 1.00 0.00 H new ATOM 899 N SER A 67 1.041 -3.455 -1.508 1.00 0.00 N ATOM 900 CA SER A 67 0.790 -2.005 -1.588 1.00 0.00 C ATOM 901 C SER A 67 2.093 -1.339 -1.244 1.00 0.00 C ATOM 902 O SER A 67 2.355 -0.181 -1.569 1.00 0.00 O ATOM 903 CB SER A 67 -0.315 -1.520 -0.670 1.00 0.00 C ATOM 904 OG SER A 67 -0.378 -0.110 -0.696 1.00 0.00 O ATOM 0 H SER A 67 0.377 -3.992 -0.949 1.00 0.00 H new ATOM 0 HA SER A 67 0.442 -1.756 -2.590 1.00 0.00 H new ATOM 0 HB2 SER A 67 -1.270 -1.941 -0.983 1.00 0.00 H new ATOM 0 HB3 SER A 67 -0.132 -1.866 0.347 1.00 0.00 H new ATOM 0 HG SER A 67 -0.556 0.226 0.207 1.00 0.00 H new ATOM 910 N SER A 68 2.870 -2.130 -0.521 1.00 0.00 N ATOM 911 CA SER A 68 4.217 -1.854 -0.164 1.00 0.00 C ATOM 912 C SER A 68 4.442 -0.767 0.848 1.00 0.00 C ATOM 913 O SER A 68 4.299 0.421 0.585 1.00 0.00 O ATOM 914 CB SER A 68 5.078 -1.642 -1.399 1.00 0.00 C ATOM 915 OG SER A 68 4.350 -1.075 -2.471 1.00 0.00 O ATOM 0 H SER A 68 2.543 -3.025 -0.157 1.00 0.00 H new ATOM 0 HA SER A 68 4.530 -2.756 0.362 1.00 0.00 H new ATOM 0 HB2 SER A 68 5.916 -0.992 -1.148 1.00 0.00 H new ATOM 0 HB3 SER A 68 5.499 -2.597 -1.714 1.00 0.00 H new ATOM 0 HG SER A 68 4.234 -0.114 -2.316 1.00 0.00 H new ATOM 921 N ALA A 69 4.812 -1.247 2.016 1.00 0.00 N ATOM 922 CA ALA A 69 5.185 -0.424 3.155 1.00 0.00 C ATOM 923 C ALA A 69 5.214 -1.279 4.410 1.00 0.00 C ATOM 924 O ALA A 69 4.684 -0.902 5.456 1.00 0.00 O ATOM 925 CB ALA A 69 4.251 0.761 3.329 1.00 0.00 C ATOM 0 H ALA A 69 4.864 -2.247 2.208 1.00 0.00 H new ATOM 0 HA ALA A 69 6.179 -0.017 2.971 1.00 0.00 H new ATOM 0 HB1 ALA A 69 4.566 1.349 4.191 1.00 0.00 H new ATOM 0 HB2 ALA A 69 4.282 1.383 2.435 1.00 0.00 H new ATOM 0 HB3 ALA A 69 3.234 0.402 3.486 1.00 0.00 H new ATOM 931 N THR A 70 5.845 -2.439 4.284 1.00 0.00 N ATOM 932 CA THR A 70 5.948 -3.387 5.383 1.00 0.00 C ATOM 933 C THR A 70 7.266 -3.237 6.121 1.00 0.00 C ATOM 934 O THR A 70 8.307 -3.713 5.672 1.00 0.00 O ATOM 935 CB THR A 70 5.802 -4.841 4.891 1.00 0.00 C ATOM 936 OG1 THR A 70 6.727 -5.692 5.575 1.00 0.00 O ATOM 937 CG2 THR A 70 6.025 -4.936 3.391 1.00 0.00 C ATOM 0 H THR A 70 6.297 -2.747 3.423 1.00 0.00 H new ATOM 0 HA THR A 70 5.130 -3.163 6.068 1.00 0.00 H new ATOM 0 HB THR A 70 4.785 -5.168 5.109 1.00 0.00 H new ATOM 0 HG1 THR A 70 6.502 -6.629 5.397 1.00 0.00 H new ATOM 0 HG21 THR A 70 5.916 -5.973 3.072 1.00 0.00 H new ATOM 0 HG22 THR A 70 5.291 -4.318 2.874 1.00 0.00 H new ATOM 0 HG23 THR A 70 7.029 -4.586 3.149 1.00 0.00 H new ATOM 945 N GLU A 71 7.205 -2.574 7.264 1.00 0.00 N ATOM 946 CA GLU A 71 8.377 -2.349 8.094 1.00 0.00 C ATOM 947 C GLU A 71 8.907 -3.668 8.649 1.00 0.00 C ATOM 948 O GLU A 71 9.934 -3.706 9.329 1.00 0.00 O ATOM 949 CB GLU A 71 8.007 -1.365 9.209 1.00 0.00 C ATOM 950 CG GLU A 71 9.055 -1.224 10.305 1.00 0.00 C ATOM 951 CD GLU A 71 8.632 -0.262 11.398 1.00 0.00 C ATOM 952 OE1 GLU A 71 8.908 0.948 11.263 1.00 0.00 O ATOM 953 OE2 GLU A 71 8.026 -0.720 12.389 1.00 0.00 O ATOM 0 H GLU A 71 6.344 -2.178 7.642 1.00 0.00 H new ATOM 0 HA GLU A 71 9.180 -1.917 7.497 1.00 0.00 H new ATOM 0 HB2 GLU A 71 7.829 -0.385 8.766 1.00 0.00 H new ATOM 0 HB3 GLU A 71 7.068 -1.685 9.661 1.00 0.00 H new ATOM 0 HG2 GLU A 71 9.250 -2.203 10.743 1.00 0.00 H new ATOM 0 HG3 GLU A 71 9.991 -0.879 9.865 1.00 0.00 H new ATOM 960 N ALA A 72 8.215 -4.756 8.329 1.00 0.00 N ATOM 961 CA ALA A 72 8.616 -6.071 8.804 1.00 0.00 C ATOM 962 C ALA A 72 9.486 -6.816 7.788 1.00 0.00 C ATOM 963 O ALA A 72 10.408 -7.536 8.173 1.00 0.00 O ATOM 964 CB ALA A 72 7.391 -6.900 9.158 1.00 0.00 C ATOM 0 H ALA A 72 7.378 -4.752 7.746 1.00 0.00 H new ATOM 0 HA ALA A 72 9.221 -5.920 9.698 1.00 0.00 H new ATOM 0 HB1 ALA A 72 7.706 -7.882 9.512 1.00 0.00 H new ATOM 0 HB2 ALA A 72 6.825 -6.396 9.941 1.00 0.00 H new ATOM 0 HB3 ALA A 72 6.763 -7.017 8.275 1.00 0.00 H new ATOM 970 N CYS A 73 9.200 -6.648 6.496 1.00 0.00 N ATOM 971 CA CYS A 73 9.976 -7.326 5.456 1.00 0.00 C ATOM 972 C CYS A 73 10.787 -6.342 4.658 1.00 0.00 C ATOM 973 O CYS A 73 11.504 -6.730 3.736 1.00 0.00 O ATOM 974 CB CYS A 73 9.070 -8.045 4.460 1.00 0.00 C ATOM 975 SG CYS A 73 7.641 -8.893 5.195 1.00 0.00 S ATOM 0 H CYS A 73 8.446 -6.056 6.147 1.00 0.00 H new ATOM 0 HA CYS A 73 10.619 -8.037 5.976 1.00 0.00 H new ATOM 0 HB2 CYS A 73 8.708 -7.319 3.732 1.00 0.00 H new ATOM 0 HB3 CYS A 73 9.665 -8.776 3.913 1.00 0.00 H new ATOM 980 N LYS A 74 10.689 -5.077 5.004 1.00 0.00 N ATOM 981 CA LYS A 74 11.367 -4.074 4.228 1.00 0.00 C ATOM 982 C LYS A 74 12.875 -4.137 4.287 1.00 0.00 C ATOM 983 O LYS A 74 13.494 -5.172 4.038 1.00 0.00 O ATOM 984 CB LYS A 74 10.894 -2.665 4.548 1.00 0.00 C ATOM 985 CG LYS A 74 11.170 -1.715 3.394 1.00 0.00 C ATOM 986 CD LYS A 74 12.275 -0.712 3.699 1.00 0.00 C ATOM 987 CE LYS A 74 12.644 0.148 2.503 1.00 0.00 C ATOM 988 NZ LYS A 74 13.470 1.323 2.897 1.00 0.00 N ATOM 0 H LYS A 74 10.157 -4.728 5.801 1.00 0.00 H new ATOM 0 HA LYS A 74 11.087 -4.318 3.203 1.00 0.00 H new ATOM 0 HB2 LYS A 74 9.826 -2.678 4.764 1.00 0.00 H new ATOM 0 HB3 LYS A 74 11.396 -2.305 5.446 1.00 0.00 H new ATOM 0 HG2 LYS A 74 11.446 -2.294 2.512 1.00 0.00 H new ATOM 0 HG3 LYS A 74 10.255 -1.176 3.148 1.00 0.00 H new ATOM 0 HD2 LYS A 74 11.957 -0.067 4.518 1.00 0.00 H new ATOM 0 HD3 LYS A 74 13.160 -1.248 4.041 1.00 0.00 H new ATOM 0 HE2 LYS A 74 13.192 -0.454 1.778 1.00 0.00 H new ATOM 0 HE3 LYS A 74 11.735 0.492 2.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 13.544 1.980 2.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 13.023 1.808 3.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 14.421 1.003 3.171 1.00 0.00 H new ATOM 1002 N GLY A 75 13.448 -3.003 4.622 1.00 0.00 N ATOM 1003 CA GLY A 75 14.863 -2.852 4.594 1.00 0.00 C ATOM 1004 C GLY A 75 15.264 -2.908 3.144 1.00 0.00 C ATOM 1005 O GLY A 75 16.407 -3.216 2.806 1.00 0.00 O ATOM 0 H GLY A 75 12.939 -2.170 4.918 1.00 0.00 H new ATOM 0 HA2 GLY A 75 15.162 -1.905 5.044 1.00 0.00 H new ATOM 0 HA3 GLY A 75 15.350 -3.644 5.163 1.00 0.00 H new ATOM 1009 N CYS A 76 14.280 -2.592 2.276 1.00 0.00 N ATOM 1010 CA CYS A 76 14.480 -2.661 0.846 1.00 0.00 C ATOM 1011 C CYS A 76 13.408 -1.933 0.007 1.00 0.00 C ATOM 1012 O CYS A 76 13.716 -0.974 -0.696 1.00 0.00 O ATOM 1013 CB CYS A 76 14.454 -4.134 0.432 1.00 0.00 C ATOM 1014 SG CYS A 76 16.071 -4.969 0.402 1.00 0.00 S ATOM 0 H CYS A 76 13.347 -2.289 2.557 1.00 0.00 H new ATOM 0 HA CYS A 76 15.431 -2.165 0.650 1.00 0.00 H new ATOM 0 HB2 CYS A 76 13.799 -4.674 1.116 1.00 0.00 H new ATOM 0 HB3 CYS A 76 14.009 -4.207 -0.560 1.00 0.00 H new ATOM 1019 N LEU A 77 12.144 -2.370 0.120 1.00 0.00 N ATOM 1020 CA LEU A 77 11.069 -1.888 -0.776 1.00 0.00 C ATOM 1021 C LEU A 77 10.064 -0.836 -0.260 1.00 0.00 C ATOM 1022 O LEU A 77 9.344 -0.285 -1.088 1.00 0.00 O ATOM 1023 CB LEU A 77 10.273 -3.117 -1.210 1.00 0.00 C ATOM 1024 CG LEU A 77 9.103 -2.864 -2.164 1.00 0.00 C ATOM 1025 CD1 LEU A 77 9.605 -2.273 -3.457 1.00 0.00 C ATOM 1026 CD2 LEU A 77 8.342 -4.147 -2.437 1.00 0.00 C ATOM 0 H LEU A 77 11.838 -3.051 0.815 1.00 0.00 H new ATOM 0 HA LEU A 77 11.603 -1.351 -1.560 1.00 0.00 H new ATOM 0 HB2 LEU A 77 10.958 -3.818 -1.687 1.00 0.00 H new ATOM 0 HB3 LEU A 77 9.886 -3.607 -0.317 1.00 0.00 H new ATOM 0 HG LEU A 77 8.423 -2.156 -1.690 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.764 -2.097 -4.128 1.00 0.00 H new ATOM 0 HD12 LEU A 77 10.110 -1.329 -3.254 1.00 0.00 H new ATOM 0 HD13 LEU A 77 10.305 -2.965 -3.926 1.00 0.00 H new ATOM 0 HD21 LEU A 77 7.515 -3.942 -3.117 1.00 0.00 H new ATOM 0 HD22 LEU A 77 9.012 -4.878 -2.890 1.00 0.00 H new ATOM 0 HD23 LEU A 77 7.951 -4.544 -1.500 1.00 0.00 H new ATOM 1038 N TRP A 78 9.996 -0.534 1.040 1.00 0.00 N ATOM 1039 CA TRP A 78 8.984 0.435 1.550 1.00 0.00 C ATOM 1040 C TRP A 78 8.366 1.282 0.442 1.00 0.00 C ATOM 1041 O TRP A 78 7.148 1.147 0.210 1.00 0.00 O ATOM 1042 CB TRP A 78 9.541 1.375 2.631 1.00 0.00 C ATOM 1043 CG TRP A 78 9.379 0.850 4.018 1.00 0.00 C ATOM 1044 CD1 TRP A 78 8.492 -0.090 4.442 1.00 0.00 C ATOM 1045 CD2 TRP A 78 10.142 1.225 5.158 1.00 0.00 C ATOM 1046 NE1 TRP A 78 8.683 -0.354 5.769 1.00 0.00 N ATOM 1047 CE2 TRP A 78 9.689 0.450 6.234 1.00 0.00 C ATOM 1048 CE3 TRP A 78 11.173 2.134 5.367 1.00 0.00 C ATOM 1049 CZ2 TRP A 78 10.239 0.552 7.498 1.00 0.00 C ATOM 1050 CZ3 TRP A 78 11.719 2.244 6.630 1.00 0.00 C ATOM 1051 CH2 TRP A 78 11.252 1.452 7.684 1.00 0.00 C ATOM 1052 OXT TRP A 78 9.103 2.067 -0.187 1.00 0.00 O ATOM 0 H TRP A 78 10.608 -0.928 1.755 1.00 0.00 H new ATOM 0 HA TRP A 78 8.211 -0.193 1.994 1.00 0.00 H new ATOM 0 HB2 TRP A 78 10.600 1.550 2.439 1.00 0.00 H new ATOM 0 HB3 TRP A 78 9.040 2.340 2.555 1.00 0.00 H new ATOM 0 HD1 TRP A 78 7.745 -0.560 3.820 1.00 0.00 H new ATOM 0 HE1 TRP A 78 8.163 -1.036 6.321 1.00 0.00 H new ATOM 0 HE3 TRP A 78 11.540 2.744 4.555 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 9.880 -0.059 8.313 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 12.517 2.950 6.807 1.00 0.00 H new ATOM 0 HH2 TRP A 78 11.699 1.553 8.662 1.00 0.00 H new ATOM 1109 N SER B 4 6.890 10.177 2.185 1.00 0.00 N ATOM 1110 CA SER B 4 7.506 8.874 2.419 1.00 0.00 C ATOM 1111 C SER B 4 6.534 7.781 2.041 1.00 0.00 C ATOM 1112 O SER B 4 5.409 8.065 1.655 1.00 0.00 O ATOM 1113 CB SER B 4 7.885 8.715 3.888 1.00 0.00 C ATOM 1114 OG SER B 4 8.627 9.828 4.356 1.00 0.00 O ATOM 0 HA SER B 4 8.407 8.803 1.810 1.00 0.00 H new ATOM 0 HB2 SER B 4 6.982 8.600 4.488 1.00 0.00 H new ATOM 0 HB3 SER B 4 8.471 7.805 4.017 1.00 0.00 H new ATOM 0 HG SER B 4 8.332 10.638 3.890 1.00 0.00 H new ATOM 1120 N VAL B 5 6.957 6.534 2.156 1.00 0.00 N ATOM 1121 CA VAL B 5 6.084 5.426 1.825 1.00 0.00 C ATOM 1122 C VAL B 5 5.008 5.262 2.901 1.00 0.00 C ATOM 1123 O VAL B 5 3.823 5.170 2.592 1.00 0.00 O ATOM 1124 CB VAL B 5 6.869 4.107 1.634 1.00 0.00 C ATOM 1125 CG1 VAL B 5 8.323 4.396 1.264 1.00 0.00 C ATOM 1126 CG2 VAL B 5 6.770 3.214 2.868 1.00 0.00 C ATOM 0 H VAL B 5 7.889 6.267 2.473 1.00 0.00 H new ATOM 0 HA VAL B 5 5.605 5.656 0.873 1.00 0.00 H new ATOM 0 HB VAL B 5 6.415 3.560 0.808 1.00 0.00 H new ATOM 0 HG11 VAL B 5 8.859 3.456 1.134 1.00 0.00 H new ATOM 0 HG12 VAL B 5 8.356 4.964 0.334 1.00 0.00 H new ATOM 0 HG13 VAL B 5 8.793 4.974 2.060 1.00 0.00 H new ATOM 0 HG21 VAL B 5 7.333 2.296 2.699 1.00 0.00 H new ATOM 0 HG22 VAL B 5 7.181 3.738 3.731 1.00 0.00 H new ATOM 0 HG23 VAL B 5 5.725 2.969 3.057 1.00 0.00 H new ATOM 1136 N GLY B 6 5.432 5.246 4.167 1.00 0.00 N ATOM 1137 CA GLY B 6 4.493 5.098 5.263 1.00 0.00 C ATOM 1138 C GLY B 6 3.613 6.321 5.417 1.00 0.00 C ATOM 1139 O GLY B 6 2.398 6.208 5.590 1.00 0.00 O ATOM 0 H GLY B 6 6.408 5.333 4.449 1.00 0.00 H new ATOM 0 HA2 GLY B 6 3.869 4.220 5.092 1.00 0.00 H new ATOM 0 HA3 GLY B 6 5.040 4.924 6.190 1.00 0.00 H new ATOM 1143 N ASP B 7 4.229 7.498 5.348 1.00 0.00 N ATOM 1144 CA ASP B 7 3.493 8.752 5.460 1.00 0.00 C ATOM 1145 C ASP B 7 2.523 8.871 4.299 1.00 0.00 C ATOM 1146 O ASP B 7 1.422 9.403 4.440 1.00 0.00 O ATOM 1147 CB ASP B 7 4.450 9.941 5.459 1.00 0.00 C ATOM 1148 CG ASP B 7 5.386 9.931 6.651 1.00 0.00 C ATOM 1149 OD1 ASP B 7 6.432 9.252 6.581 1.00 0.00 O ATOM 1150 OD2 ASP B 7 5.072 10.601 7.658 1.00 0.00 O ATOM 0 H ASP B 7 5.234 7.609 5.215 1.00 0.00 H new ATOM 0 HA ASP B 7 2.943 8.755 6.401 1.00 0.00 H new ATOM 0 HB2 ASP B 7 5.036 9.931 4.540 1.00 0.00 H new ATOM 0 HB3 ASP B 7 3.875 10.867 5.460 1.00 0.00 H new ATOM 1155 N ALA B 8 2.954 8.378 3.146 1.00 0.00 N ATOM 1156 CA ALA B 8 2.127 8.396 1.956 1.00 0.00 C ATOM 1157 C ALA B 8 0.802 7.742 2.247 1.00 0.00 C ATOM 1158 O ALA B 8 -0.259 8.294 1.960 1.00 0.00 O ATOM 1159 CB ALA B 8 2.798 7.640 0.844 1.00 0.00 C ATOM 0 H ALA B 8 3.875 7.960 3.013 1.00 0.00 H new ATOM 0 HA ALA B 8 1.977 9.433 1.656 1.00 0.00 H new ATOM 0 HB1 ALA B 8 2.166 7.662 -0.044 1.00 0.00 H new ATOM 0 HB2 ALA B 8 3.758 8.103 0.617 1.00 0.00 H new ATOM 0 HB3 ALA B 8 2.957 6.606 1.151 1.00 0.00 H new ATOM 1165 N PHE B 9 0.883 6.540 2.804 1.00 0.00 N ATOM 1166 CA PHE B 9 -0.294 5.791 3.157 1.00 0.00 C ATOM 1167 C PHE B 9 -1.268 6.698 3.891 1.00 0.00 C ATOM 1168 O PHE B 9 -2.420 6.795 3.510 1.00 0.00 O ATOM 1169 CB PHE B 9 0.094 4.581 3.992 1.00 0.00 C ATOM 1170 CG PHE B 9 0.299 3.365 3.153 1.00 0.00 C ATOM 1171 CD1 PHE B 9 1.537 3.110 2.606 1.00 0.00 C ATOM 1172 CD2 PHE B 9 -0.745 2.498 2.878 1.00 0.00 C ATOM 1173 CE1 PHE B 9 1.740 2.014 1.805 1.00 0.00 C ATOM 1174 CE2 PHE B 9 -0.548 1.401 2.067 1.00 0.00 C ATOM 1175 CZ PHE B 9 0.700 1.163 1.531 1.00 0.00 C ATOM 0 H PHE B 9 1.762 6.069 3.018 1.00 0.00 H new ATOM 0 HA PHE B 9 -0.788 5.424 2.258 1.00 0.00 H new ATOM 0 HB2 PHE B 9 1.009 4.799 4.543 1.00 0.00 H new ATOM 0 HB3 PHE B 9 -0.684 4.385 4.730 1.00 0.00 H new ATOM 0 HD1 PHE B 9 2.358 3.781 2.810 1.00 0.00 H new ATOM 0 HD2 PHE B 9 -1.721 2.683 3.302 1.00 0.00 H new ATOM 0 HE1 PHE B 9 2.719 1.822 1.391 1.00 0.00 H new ATOM 0 HE2 PHE B 9 -1.367 0.731 1.852 1.00 0.00 H new ATOM 0 HZ PHE B 9 0.859 0.305 0.894 1.00 0.00 H new ATOM 1185 N ASP B 10 -0.774 7.435 4.884 1.00 0.00 N ATOM 1186 CA ASP B 10 -1.629 8.342 5.652 1.00 0.00 C ATOM 1187 C ASP B 10 -2.532 9.112 4.701 1.00 0.00 C ATOM 1188 O ASP B 10 -3.743 9.218 4.908 1.00 0.00 O ATOM 1189 CB ASP B 10 -0.774 9.327 6.443 1.00 0.00 C ATOM 1190 CG ASP B 10 -1.561 10.042 7.524 1.00 0.00 C ATOM 1191 OD1 ASP B 10 -1.680 9.488 8.638 1.00 0.00 O ATOM 1192 OD2 ASP B 10 -2.060 11.156 7.259 1.00 0.00 O ATOM 0 H ASP B 10 0.204 7.424 5.175 1.00 0.00 H new ATOM 0 HA ASP B 10 -2.234 7.757 6.345 1.00 0.00 H new ATOM 0 HB2 ASP B 10 0.061 8.794 6.898 1.00 0.00 H new ATOM 0 HB3 ASP B 10 -0.349 10.063 5.761 1.00 0.00 H new ATOM 1197 N LYS B 11 -1.916 9.634 3.653 1.00 0.00 N ATOM 1198 CA LYS B 11 -2.631 10.371 2.622 1.00 0.00 C ATOM 1199 C LYS B 11 -3.689 9.470 1.997 1.00 0.00 C ATOM 1200 O LYS B 11 -4.859 9.837 1.873 1.00 0.00 O ATOM 1201 CB LYS B 11 -1.661 10.821 1.529 1.00 0.00 C ATOM 1202 CG LYS B 11 -2.229 11.880 0.598 1.00 0.00 C ATOM 1203 CD LYS B 11 -2.109 13.267 1.203 1.00 0.00 C ATOM 1204 CE LYS B 11 -2.614 14.340 0.251 1.00 0.00 C ATOM 1205 NZ LYS B 11 -2.347 15.710 0.769 1.00 0.00 N ATOM 0 H LYS B 11 -0.911 9.560 3.493 1.00 0.00 H new ATOM 0 HA LYS B 11 -3.100 11.245 3.075 1.00 0.00 H new ATOM 0 HB2 LYS B 11 -0.757 11.210 1.997 1.00 0.00 H new ATOM 0 HB3 LYS B 11 -1.366 9.953 0.939 1.00 0.00 H new ATOM 0 HG2 LYS B 11 -1.702 11.850 -0.355 1.00 0.00 H new ATOM 0 HG3 LYS B 11 -3.276 11.661 0.390 1.00 0.00 H new ATOM 0 HD2 LYS B 11 -2.676 13.309 2.133 1.00 0.00 H new ATOM 0 HD3 LYS B 11 -1.067 13.465 1.456 1.00 0.00 H new ATOM 0 HE2 LYS B 11 -2.134 14.219 -0.720 1.00 0.00 H new ATOM 0 HE3 LYS B 11 -3.685 14.213 0.095 1.00 0.00 H new ATOM 0 HZ1 LYS B 11 -2.706 16.413 0.092 1.00 0.00 H new ATOM 0 HZ2 LYS B 11 -2.826 15.835 1.684 1.00 0.00 H new ATOM 0 HZ3 LYS B 11 -1.323 15.841 0.893 1.00 0.00 H new ATOM 1219 N TYR B 12 -3.247 8.278 1.612 1.00 0.00 N ATOM 1220 CA TYR B 12 -4.111 7.292 0.983 1.00 0.00 C ATOM 1221 C TYR B 12 -5.258 6.872 1.862 1.00 0.00 C ATOM 1222 O TYR B 12 -6.413 7.056 1.517 1.00 0.00 O ATOM 1223 CB TYR B 12 -3.350 6.014 0.667 1.00 0.00 C ATOM 1224 CG TYR B 12 -4.113 5.116 -0.288 1.00 0.00 C ATOM 1225 CD1 TYR B 12 -4.985 5.647 -1.238 1.00 0.00 C ATOM 1226 CD2 TYR B 12 -3.973 3.738 -0.234 1.00 0.00 C ATOM 1227 CE1 TYR B 12 -5.690 4.831 -2.101 1.00 0.00 C ATOM 1228 CE2 TYR B 12 -4.676 2.919 -1.094 1.00 0.00 C ATOM 1229 CZ TYR B 12 -5.532 3.466 -2.024 1.00 0.00 C ATOM 1230 OH TYR B 12 -6.232 2.645 -2.878 1.00 0.00 O ATOM 0 H TYR B 12 -2.281 7.971 1.728 1.00 0.00 H new ATOM 0 HA TYR B 12 -4.481 7.783 0.083 1.00 0.00 H new ATOM 0 HB2 TYR B 12 -2.383 6.267 0.232 1.00 0.00 H new ATOM 0 HB3 TYR B 12 -3.151 5.473 1.592 1.00 0.00 H new ATOM 0 HD1 TYR B 12 -5.112 6.718 -1.300 1.00 0.00 H new ATOM 0 HD2 TYR B 12 -3.304 3.299 0.491 1.00 0.00 H new ATOM 0 HE1 TYR B 12 -6.360 5.261 -2.831 1.00 0.00 H new ATOM 0 HE2 TYR B 12 -4.555 1.847 -1.038 1.00 0.00 H new ATOM 0 HH TYR B 12 -6.029 1.709 -2.671 1.00 0.00 H new ATOM 1240 N ASN B 13 -4.902 6.318 3.005 1.00 0.00 N ATOM 1241 CA ASN B 13 -5.860 5.771 3.949 1.00 0.00 C ATOM 1242 C ASN B 13 -7.114 6.616 4.034 1.00 0.00 C ATOM 1243 O ASN B 13 -8.219 6.114 3.847 1.00 0.00 O ATOM 1244 CB ASN B 13 -5.242 5.683 5.338 1.00 0.00 C ATOM 1245 CG ASN B 13 -3.747 5.382 5.349 1.00 0.00 C ATOM 1246 OD1 ASN B 13 -3.230 4.748 4.297 1.00 0.00 O flip ATOM 1247 ND2 ASN B 13 -3.054 5.724 6.307 1.00 0.00 N flip ATOM 0 H ASN B 13 -3.932 6.234 3.308 1.00 0.00 H new ATOM 0 HA ASN B 13 -6.129 4.778 3.589 1.00 0.00 H new ATOM 0 HB2 ASN B 13 -5.414 6.625 5.858 1.00 0.00 H new ATOM 0 HB3 ASN B 13 -5.760 4.908 5.903 1.00 0.00 H new ATOM 0 HD21 ASN B 13 -3.480 6.208 7.097 1.00 0.00 H new ATOM 0 HD22 ASN B 13 -2.054 5.523 6.310 1.00 0.00 H new ATOM 1254 N GLU B 14 -6.948 7.888 4.320 1.00 0.00 N ATOM 1255 CA GLU B 14 -8.088 8.778 4.411 1.00 0.00 C ATOM 1256 C GLU B 14 -8.871 8.744 3.091 1.00 0.00 C ATOM 1257 O GLU B 14 -10.101 8.654 3.076 1.00 0.00 O ATOM 1258 CB GLU B 14 -7.604 10.199 4.735 1.00 0.00 C ATOM 1259 CG GLU B 14 -7.152 10.984 3.519 1.00 0.00 C ATOM 1260 CD GLU B 14 -8.231 11.900 2.974 1.00 0.00 C ATOM 1261 OE1 GLU B 14 -8.374 13.025 3.497 1.00 0.00 O ATOM 1262 OE2 GLU B 14 -8.931 11.493 2.024 1.00 0.00 O ATOM 0 H GLU B 14 -6.044 8.328 4.492 1.00 0.00 H new ATOM 0 HA GLU B 14 -8.753 8.453 5.211 1.00 0.00 H new ATOM 0 HB2 GLU B 14 -8.409 10.743 5.228 1.00 0.00 H new ATOM 0 HB3 GLU B 14 -6.779 10.139 5.444 1.00 0.00 H new ATOM 0 HG2 GLU B 14 -6.276 11.578 3.781 1.00 0.00 H new ATOM 0 HG3 GLU B 14 -6.844 10.289 2.738 1.00 0.00 H new ATOM 1269 N ALA B 15 -8.124 8.740 1.990 1.00 0.00 N ATOM 1270 CA ALA B 15 -8.686 8.744 0.646 1.00 0.00 C ATOM 1271 C ALA B 15 -9.326 7.420 0.249 1.00 0.00 C ATOM 1272 O ALA B 15 -10.350 7.408 -0.431 1.00 0.00 O ATOM 1273 CB ALA B 15 -7.583 9.069 -0.356 1.00 0.00 C ATOM 0 H ALA B 15 -7.104 8.734 2.008 1.00 0.00 H new ATOM 0 HA ALA B 15 -9.474 9.497 0.640 1.00 0.00 H new ATOM 0 HB1 ALA B 15 -7.997 9.074 -1.364 1.00 0.00 H new ATOM 0 HB2 ALA B 15 -7.165 10.050 -0.131 1.00 0.00 H new ATOM 0 HB3 ALA B 15 -6.798 8.316 -0.290 1.00 0.00 H new ATOM 1279 N VAL B 16 -8.738 6.309 0.679 1.00 0.00 N ATOM 1280 CA VAL B 16 -9.224 5.010 0.271 1.00 0.00 C ATOM 1281 C VAL B 16 -10.294 4.484 1.160 1.00 0.00 C ATOM 1282 O VAL B 16 -11.328 4.010 0.691 1.00 0.00 O ATOM 1283 CB VAL B 16 -8.080 3.996 0.134 1.00 0.00 C ATOM 1284 CG1 VAL B 16 -7.081 4.158 1.257 1.00 0.00 C ATOM 1285 CG2 VAL B 16 -8.597 2.567 0.062 1.00 0.00 C ATOM 0 H VAL B 16 -7.932 6.288 1.304 1.00 0.00 H new ATOM 0 HA VAL B 16 -9.674 5.154 -0.711 1.00 0.00 H new ATOM 0 HB VAL B 16 -7.571 4.202 -0.808 1.00 0.00 H new ATOM 0 HG11 VAL B 16 -6.279 3.429 1.139 1.00 0.00 H new ATOM 0 HG12 VAL B 16 -6.663 5.164 1.230 1.00 0.00 H new ATOM 0 HG13 VAL B 16 -7.579 3.998 2.213 1.00 0.00 H new ATOM 0 HG21 VAL B 16 -7.756 1.880 -0.035 1.00 0.00 H new ATOM 0 HG22 VAL B 16 -9.153 2.335 0.971 1.00 0.00 H new ATOM 0 HG23 VAL B 16 -9.253 2.461 -0.802 1.00 0.00 H new ATOM 1295 N ARG B 17 -10.049 4.555 2.432 1.00 0.00 N ATOM 1296 CA ARG B 17 -11.002 4.065 3.368 1.00 0.00 C ATOM 1297 C ARG B 17 -12.349 4.678 3.138 1.00 0.00 C ATOM 1298 O ARG B 17 -13.380 4.001 3.213 1.00 0.00 O ATOM 1299 CB ARG B 17 -10.485 4.261 4.785 1.00 0.00 C ATOM 1300 CG ARG B 17 -9.208 3.492 5.059 1.00 0.00 C ATOM 1301 CD ARG B 17 -9.074 2.265 4.175 1.00 0.00 C ATOM 1302 NE ARG B 17 -7.788 2.185 3.568 1.00 0.00 N ATOM 1303 CZ ARG B 17 -7.522 1.356 2.608 1.00 0.00 C ATOM 1304 NH1 ARG B 17 -8.320 0.335 2.357 1.00 0.00 N ATOM 1305 NH2 ARG B 17 -6.437 1.510 1.928 1.00 0.00 N ATOM 0 H ARG B 17 -9.200 4.946 2.841 1.00 0.00 H new ATOM 0 HA ARG B 17 -11.136 2.993 3.222 1.00 0.00 H new ATOM 0 HB2 ARG B 17 -10.308 5.323 4.958 1.00 0.00 H new ATOM 0 HB3 ARG B 17 -11.252 3.946 5.493 1.00 0.00 H new ATOM 0 HG2 ARG B 17 -8.351 4.147 4.901 1.00 0.00 H new ATOM 0 HG3 ARG B 17 -9.187 3.187 6.105 1.00 0.00 H new ATOM 0 HD2 ARG B 17 -9.251 1.369 4.769 1.00 0.00 H new ATOM 0 HD3 ARG B 17 -9.840 2.291 3.400 1.00 0.00 H new ATOM 0 HE ARG B 17 -7.049 2.803 3.901 1.00 0.00 H new ATOM 0 HH11 ARG B 17 -9.157 0.191 2.922 1.00 0.00 H new ATOM 0 HH12 ARG B 17 -8.099 -0.310 1.598 1.00 0.00 H new ATOM 0 HH21 ARG B 17 -5.801 2.277 2.149 1.00 0.00 H new ATOM 0 HH22 ARG B 17 -6.215 0.865 1.170 1.00 0.00 H new ATOM 1319 N VAL B 18 -12.353 5.928 2.787 1.00 0.00 N ATOM 1320 CA VAL B 18 -13.597 6.575 2.543 1.00 0.00 C ATOM 1321 C VAL B 18 -14.178 6.105 1.224 1.00 0.00 C ATOM 1322 O VAL B 18 -15.317 5.684 1.167 1.00 0.00 O ATOM 1323 CB VAL B 18 -13.429 8.101 2.527 1.00 0.00 C ATOM 1324 CG1 VAL B 18 -12.874 8.578 3.860 1.00 0.00 C ATOM 1325 CG2 VAL B 18 -12.519 8.522 1.378 1.00 0.00 C ATOM 0 H VAL B 18 -11.523 6.508 2.666 1.00 0.00 H new ATOM 0 HA VAL B 18 -14.281 6.314 3.351 1.00 0.00 H new ATOM 0 HB VAL B 18 -14.404 8.563 2.374 1.00 0.00 H new ATOM 0 HG11 VAL B 18 -12.758 9.662 3.839 1.00 0.00 H new ATOM 0 HG12 VAL B 18 -13.561 8.302 4.660 1.00 0.00 H new ATOM 0 HG13 VAL B 18 -11.904 8.113 4.038 1.00 0.00 H new ATOM 0 HG21 VAL B 18 -12.409 9.606 1.379 1.00 0.00 H new ATOM 0 HG22 VAL B 18 -11.540 8.058 1.500 1.00 0.00 H new ATOM 0 HG23 VAL B 18 -12.956 8.203 0.432 1.00 0.00 H new ATOM 1335 N PHE B 19 -13.335 6.039 0.203 1.00 0.00 N ATOM 1336 CA PHE B 19 -13.794 5.720 -1.142 1.00 0.00 C ATOM 1337 C PHE B 19 -14.352 4.302 -1.314 1.00 0.00 C ATOM 1338 O PHE B 19 -15.380 4.114 -1.985 1.00 0.00 O ATOM 1339 CB PHE B 19 -12.687 6.086 -2.169 1.00 0.00 C ATOM 1340 CG PHE B 19 -11.612 5.068 -2.495 1.00 0.00 C ATOM 1341 CD1 PHE B 19 -11.884 3.732 -2.698 1.00 0.00 C ATOM 1342 CD2 PHE B 19 -10.304 5.486 -2.612 1.00 0.00 C ATOM 1343 CE1 PHE B 19 -10.875 2.836 -2.989 1.00 0.00 C ATOM 1344 CE2 PHE B 19 -9.289 4.600 -2.910 1.00 0.00 C ATOM 1345 CZ PHE B 19 -9.577 3.272 -3.091 1.00 0.00 C ATOM 0 H PHE B 19 -12.331 6.202 0.280 1.00 0.00 H new ATOM 0 HA PHE B 19 -14.669 6.340 -1.340 1.00 0.00 H new ATOM 0 HB2 PHE B 19 -13.182 6.351 -3.103 1.00 0.00 H new ATOM 0 HB3 PHE B 19 -12.188 6.985 -1.807 1.00 0.00 H new ATOM 0 HD1 PHE B 19 -12.903 3.381 -2.628 1.00 0.00 H new ATOM 0 HD2 PHE B 19 -10.068 6.530 -2.467 1.00 0.00 H new ATOM 0 HE1 PHE B 19 -11.107 1.792 -3.137 1.00 0.00 H new ATOM 0 HE2 PHE B 19 -8.272 4.951 -3.000 1.00 0.00 H new ATOM 0 HZ PHE B 19 -8.786 2.571 -3.313 1.00 0.00 H new ATOM 1355 N THR B 20 -13.752 3.296 -0.692 1.00 0.00 N ATOM 1356 CA THR B 20 -14.254 1.957 -0.921 1.00 0.00 C ATOM 1357 C THR B 20 -15.474 1.655 -0.079 1.00 0.00 C ATOM 1358 O THR B 20 -16.484 1.202 -0.617 1.00 0.00 O ATOM 1359 CB THR B 20 -13.197 0.871 -0.746 1.00 0.00 C ATOM 1360 OG1 THR B 20 -12.379 0.813 -1.907 1.00 0.00 O ATOM 1361 CG2 THR B 20 -13.851 -0.475 -0.511 1.00 0.00 C ATOM 0 H THR B 20 -12.958 3.375 -0.057 1.00 0.00 H new ATOM 0 HA THR B 20 -14.549 1.940 -1.970 1.00 0.00 H new ATOM 0 HB THR B 20 -12.583 1.114 0.122 1.00 0.00 H new ATOM 0 HG1 THR B 20 -12.464 1.650 -2.409 1.00 0.00 H new ATOM 0 HG21 THR B 20 -13.081 -1.237 -0.388 1.00 0.00 H new ATOM 0 HG22 THR B 20 -14.463 -0.430 0.390 1.00 0.00 H new ATOM 0 HG23 THR B 20 -14.480 -0.728 -1.365 1.00 0.00 H new ATOM 1369 N GLN B 21 -15.417 1.888 1.232 1.00 0.00 N ATOM 1370 CA GLN B 21 -16.599 1.624 2.019 1.00 0.00 C ATOM 1371 C GLN B 21 -17.683 2.584 1.577 1.00 0.00 C ATOM 1372 O GLN B 21 -18.841 2.426 1.926 1.00 0.00 O ATOM 1373 CB GLN B 21 -16.349 1.676 3.524 1.00 0.00 C ATOM 1374 CG GLN B 21 -15.868 0.338 4.107 1.00 0.00 C ATOM 1375 CD GLN B 21 -16.497 -0.865 3.444 1.00 0.00 C ATOM 1376 OE1 GLN B 21 -15.861 -1.343 2.382 1.00 0.00 O flip ATOM 1377 NE2 GLN B 21 -17.539 -1.357 3.878 1.00 0.00 N flip ATOM 0 H GLN B 21 -14.607 2.240 1.742 1.00 0.00 H new ATOM 0 HA GLN B 21 -16.920 0.598 1.839 1.00 0.00 H new ATOM 0 HB2 GLN B 21 -15.606 2.445 3.735 1.00 0.00 H new ATOM 0 HB3 GLN B 21 -17.268 1.974 4.028 1.00 0.00 H new ATOM 0 HG2 GLN B 21 -14.785 0.274 4.006 1.00 0.00 H new ATOM 0 HG3 GLN B 21 -16.091 0.314 5.174 1.00 0.00 H new ATOM 0 HE21 GLN B 21 -17.991 -0.953 4.698 1.00 0.00 H new ATOM 0 HE22 GLN B 21 -17.950 -2.169 3.417 1.00 0.00 H new ATOM 1386 N LEU B 22 -17.299 3.598 0.796 1.00 0.00 N ATOM 1387 CA LEU B 22 -18.286 4.515 0.256 1.00 0.00 C ATOM 1388 C LEU B 22 -19.249 3.689 -0.563 1.00 0.00 C ATOM 1389 O LEU B 22 -20.462 3.853 -0.475 1.00 0.00 O ATOM 1390 CB LEU B 22 -17.661 5.598 -0.644 1.00 0.00 C ATOM 1391 CG LEU B 22 -17.303 6.944 0.017 1.00 0.00 C ATOM 1392 CD1 LEU B 22 -17.943 8.083 -0.746 1.00 0.00 C ATOM 1393 CD2 LEU B 22 -17.704 6.999 1.491 1.00 0.00 C ATOM 0 H LEU B 22 -16.334 3.796 0.533 1.00 0.00 H new ATOM 0 HA LEU B 22 -18.775 5.035 1.080 1.00 0.00 H new ATOM 0 HB2 LEU B 22 -16.753 5.187 -1.086 1.00 0.00 H new ATOM 0 HB3 LEU B 22 -18.353 5.797 -1.463 1.00 0.00 H new ATOM 0 HG LEU B 22 -16.218 7.044 -0.020 1.00 0.00 H new ATOM 0 HD11 LEU B 22 -17.684 9.030 -0.271 1.00 0.00 H new ATOM 0 HD12 LEU B 22 -17.580 8.081 -1.774 1.00 0.00 H new ATOM 0 HD13 LEU B 22 -19.026 7.960 -0.743 1.00 0.00 H new ATOM 0 HD21 LEU B 22 -17.429 7.968 1.907 1.00 0.00 H new ATOM 0 HD22 LEU B 22 -18.781 6.858 1.581 1.00 0.00 H new ATOM 0 HD23 LEU B 22 -17.188 6.210 2.038 1.00 0.00 H new ATOM 1405 N SER B 23 -18.683 2.779 -1.361 1.00 0.00 N ATOM 1406 CA SER B 23 -19.499 1.894 -2.189 1.00 0.00 C ATOM 1407 C SER B 23 -20.197 0.810 -1.350 1.00 0.00 C ATOM 1408 O SER B 23 -21.397 0.576 -1.507 1.00 0.00 O ATOM 1409 CB SER B 23 -18.656 1.260 -3.304 1.00 0.00 C ATOM 1410 OG SER B 23 -18.422 2.187 -4.350 1.00 0.00 O ATOM 0 H SER B 23 -17.677 2.638 -1.449 1.00 0.00 H new ATOM 0 HA SER B 23 -20.277 2.503 -2.648 1.00 0.00 H new ATOM 0 HB2 SER B 23 -17.705 0.918 -2.896 1.00 0.00 H new ATOM 0 HB3 SER B 23 -19.168 0.382 -3.698 1.00 0.00 H new ATOM 0 HG SER B 23 -17.462 2.373 -4.414 1.00 0.00 H new ATOM 1416 N SER B 24 -19.456 0.143 -0.463 1.00 0.00 N ATOM 1417 CA SER B 24 -20.040 -0.902 0.382 1.00 0.00 C ATOM 1418 C SER B 24 -21.046 -0.334 1.364 1.00 0.00 C ATOM 1419 O SER B 24 -22.206 -0.745 1.378 1.00 0.00 O ATOM 1420 CB SER B 24 -18.962 -1.650 1.151 1.00 0.00 C ATOM 1421 OG SER B 24 -19.507 -2.322 2.274 1.00 0.00 O ATOM 0 H SER B 24 -18.460 0.305 -0.311 1.00 0.00 H new ATOM 0 HA SER B 24 -20.554 -1.593 -0.286 1.00 0.00 H new ATOM 0 HB2 SER B 24 -18.476 -2.371 0.493 1.00 0.00 H new ATOM 0 HB3 SER B 24 -18.194 -0.950 1.480 1.00 0.00 H new ATOM 0 HG SER B 24 -19.512 -3.288 2.107 1.00 0.00 H new ATOM 1427 N ALA B 25 -20.588 0.591 2.201 1.00 0.00 N ATOM 1428 CA ALA B 25 -21.458 1.225 3.178 1.00 0.00 C ATOM 1429 C ALA B 25 -22.720 1.685 2.475 1.00 0.00 C ATOM 1430 O ALA B 25 -23.810 1.667 3.043 1.00 0.00 O ATOM 1431 CB ALA B 25 -20.749 2.399 3.856 1.00 0.00 C ATOM 0 H ALA B 25 -19.621 0.916 2.221 1.00 0.00 H new ATOM 0 HA ALA B 25 -21.717 0.510 3.959 1.00 0.00 H new ATOM 0 HB1 ALA B 25 -21.419 2.858 4.583 1.00 0.00 H new ATOM 0 HB2 ALA B 25 -19.854 2.039 4.364 1.00 0.00 H new ATOM 0 HB3 ALA B 25 -20.468 3.137 3.105 1.00 0.00 H new ATOM 1437 N ALA B 26 -22.554 2.060 1.208 1.00 0.00 N ATOM 1438 CA ALA B 26 -23.666 2.520 0.390 1.00 0.00 C ATOM 1439 C ALA B 26 -24.729 1.441 0.231 1.00 0.00 C ATOM 1440 O ALA B 26 -25.924 1.742 0.256 1.00 0.00 O ATOM 1441 CB ALA B 26 -23.180 2.977 -0.979 1.00 0.00 C ATOM 0 H ALA B 26 -21.654 2.053 0.727 1.00 0.00 H new ATOM 0 HA ALA B 26 -24.117 3.368 0.906 1.00 0.00 H new ATOM 0 HB1 ALA B 26 -24.029 3.316 -1.572 1.00 0.00 H new ATOM 0 HB2 ALA B 26 -22.471 3.796 -0.859 1.00 0.00 H new ATOM 0 HB3 ALA B 26 -22.691 2.146 -1.488 1.00 0.00 H new ATOM 1447 N ASN B 27 -24.309 0.183 0.070 1.00 0.00 N ATOM 1448 CA ASN B 27 -25.285 -0.892 -0.105 1.00 0.00 C ATOM 1449 C ASN B 27 -24.706 -2.309 0.003 1.00 0.00 C ATOM 1450 O ASN B 27 -25.381 -3.201 0.517 1.00 0.00 O ATOM 1451 CB ASN B 27 -25.980 -0.735 -1.459 1.00 0.00 C ATOM 1452 CG ASN B 27 -25.054 -0.979 -2.642 1.00 0.00 C ATOM 1453 OD1 ASN B 27 -23.753 -0.759 -2.454 1.00 0.00 O flip ATOM 1454 ND2 ASN B 27 -25.505 -1.372 -3.717 1.00 0.00 N flip ATOM 0 H ASN B 27 -23.332 -0.109 0.057 1.00 0.00 H new ATOM 0 HA ASN B 27 -25.988 -0.790 0.722 1.00 0.00 H new ATOM 0 HB2 ASN B 27 -26.818 -1.430 -1.513 1.00 0.00 H new ATOM 0 HB3 ASN B 27 -26.395 0.270 -1.532 1.00 0.00 H new ATOM 0 HD21 ASN B 27 -26.507 -1.529 -3.823 1.00 0.00 H new ATOM 0 HD22 ASN B 27 -24.877 -1.541 -4.503 1.00 0.00 H new ATOM 1461 N CYS B 28 -23.474 -2.534 -0.460 1.00 0.00 N ATOM 1462 CA CYS B 28 -22.912 -3.886 -0.431 1.00 0.00 C ATOM 1463 C CYS B 28 -21.448 -3.929 -0.852 1.00 0.00 C ATOM 1464 O CYS B 28 -20.960 -3.028 -1.508 1.00 0.00 O ATOM 1465 CB CYS B 28 -23.731 -4.766 -1.378 1.00 0.00 C ATOM 1466 SG CYS B 28 -22.795 -6.074 -2.224 1.00 0.00 S ATOM 0 H CYS B 28 -22.860 -1.818 -0.850 1.00 0.00 H new ATOM 0 HA CYS B 28 -22.959 -4.246 0.597 1.00 0.00 H new ATOM 0 HB2 CYS B 28 -24.539 -5.228 -0.811 1.00 0.00 H new ATOM 0 HB3 CYS B 28 -24.195 -4.128 -2.131 1.00 0.00 H new ATOM 1471 N ASP B 29 -20.759 -4.995 -0.456 1.00 0.00 N ATOM 1472 CA ASP B 29 -19.357 -5.201 -0.820 1.00 0.00 C ATOM 1473 C ASP B 29 -19.225 -6.406 -1.754 1.00 0.00 C ATOM 1474 O ASP B 29 -20.027 -7.337 -1.671 1.00 0.00 O ATOM 1475 CB ASP B 29 -18.511 -5.429 0.435 1.00 0.00 C ATOM 1476 CG ASP B 29 -19.318 -6.014 1.577 1.00 0.00 C ATOM 1477 OD1 ASP B 29 -19.466 -7.253 1.627 1.00 0.00 O ATOM 1478 OD2 ASP B 29 -19.803 -5.232 2.423 1.00 0.00 O ATOM 0 H ASP B 29 -21.152 -5.737 0.123 1.00 0.00 H new ATOM 0 HA ASP B 29 -18.999 -4.309 -1.334 1.00 0.00 H new ATOM 0 HB2 ASP B 29 -17.685 -6.099 0.196 1.00 0.00 H new ATOM 0 HB3 ASP B 29 -18.072 -4.483 0.751 1.00 0.00 H new ATOM 1483 N TRP B 30 -18.223 -6.404 -2.645 1.00 0.00 N ATOM 1484 CA TRP B 30 -18.052 -7.542 -3.547 1.00 0.00 C ATOM 1485 C TRP B 30 -17.626 -8.751 -2.724 1.00 0.00 C ATOM 1486 O TRP B 30 -18.184 -9.839 -2.864 1.00 0.00 O ATOM 1487 CB TRP B 30 -17.054 -7.251 -4.700 1.00 0.00 C ATOM 1488 CG TRP B 30 -15.740 -6.705 -4.286 1.00 0.00 C ATOM 1489 CD1 TRP B 30 -14.767 -7.294 -3.539 1.00 0.00 C ATOM 1490 CD2 TRP B 30 -15.250 -5.431 -4.654 1.00 0.00 C ATOM 1491 NE1 TRP B 30 -13.718 -6.424 -3.378 1.00 0.00 N ATOM 1492 CE2 TRP B 30 -14.002 -5.270 -4.059 1.00 0.00 C ATOM 1493 CE3 TRP B 30 -15.774 -4.397 -5.423 1.00 0.00 C ATOM 1494 CZ2 TRP B 30 -13.269 -4.110 -4.204 1.00 0.00 C ATOM 1495 CZ3 TRP B 30 -15.048 -3.247 -5.574 1.00 0.00 C ATOM 1496 CH2 TRP B 30 -13.808 -3.105 -4.966 1.00 0.00 C ATOM 0 H TRP B 30 -17.542 -5.653 -2.757 1.00 0.00 H new ATOM 0 HA TRP B 30 -19.004 -7.745 -4.037 1.00 0.00 H new ATOM 0 HB2 TRP B 30 -16.886 -8.175 -5.253 1.00 0.00 H new ATOM 0 HB3 TRP B 30 -17.519 -6.547 -5.390 1.00 0.00 H new ATOM 0 HD1 TRP B 30 -14.813 -8.294 -3.134 1.00 0.00 H new ATOM 0 HE1 TRP B 30 -12.870 -6.606 -2.842 1.00 0.00 H new ATOM 0 HE3 TRP B 30 -16.740 -4.500 -5.894 1.00 0.00 H new ATOM 0 HZ2 TRP B 30 -12.303 -3.997 -3.733 1.00 0.00 H new ATOM 0 HZ3 TRP B 30 -15.444 -2.440 -6.173 1.00 0.00 H new ATOM 0 HH2 TRP B 30 -13.257 -2.185 -5.096 1.00 0.00 H new ATOM 1507 N ALA B 31 -16.655 -8.517 -1.833 1.00 0.00 N ATOM 1508 CA ALA B 31 -16.128 -9.533 -0.924 1.00 0.00 C ATOM 1509 C ALA B 31 -15.325 -10.606 -1.660 1.00 0.00 C ATOM 1510 O ALA B 31 -14.241 -11.002 -1.232 1.00 0.00 O ATOM 1511 CB ALA B 31 -17.266 -10.157 -0.139 1.00 0.00 C ATOM 0 H ALA B 31 -16.210 -7.605 -1.724 1.00 0.00 H new ATOM 0 HA ALA B 31 -15.440 -9.042 -0.236 1.00 0.00 H new ATOM 0 HB1 ALA B 31 -16.869 -10.914 0.538 1.00 0.00 H new ATOM 0 HB2 ALA B 31 -17.776 -9.386 0.438 1.00 0.00 H new ATOM 0 HB3 ALA B 31 -17.972 -10.621 -0.828 1.00 0.00 H new ATOM 1517 N ALA B 32 -15.864 -11.068 -2.770 1.00 0.00 N ATOM 1518 CA ALA B 32 -15.212 -12.098 -3.564 1.00 0.00 C ATOM 1519 C ALA B 32 -13.936 -11.570 -4.211 1.00 0.00 C ATOM 1520 O ALA B 32 -12.917 -12.264 -4.265 1.00 0.00 O ATOM 1521 CB ALA B 32 -16.165 -12.626 -4.627 1.00 0.00 C ATOM 0 H ALA B 32 -16.756 -10.747 -3.147 1.00 0.00 H new ATOM 0 HA ALA B 32 -14.937 -12.916 -2.897 1.00 0.00 H new ATOM 0 HB1 ALA B 32 -15.665 -13.396 -5.214 1.00 0.00 H new ATOM 0 HB2 ALA B 32 -17.046 -13.051 -4.147 1.00 0.00 H new ATOM 0 HB3 ALA B 32 -16.467 -11.809 -5.282 1.00 0.00 H new ATOM 1527 N CYS B 33 -13.991 -10.333 -4.690 1.00 0.00 N ATOM 1528 CA CYS B 33 -12.842 -9.733 -5.348 1.00 0.00 C ATOM 1529 C CYS B 33 -11.718 -9.435 -4.376 1.00 0.00 C ATOM 1530 O CYS B 33 -10.575 -9.752 -4.648 1.00 0.00 O ATOM 1531 CB CYS B 33 -13.228 -8.459 -6.080 1.00 0.00 C ATOM 1532 SG CYS B 33 -12.648 -8.418 -7.810 1.00 0.00 S ATOM 0 H CYS B 33 -14.813 -9.732 -4.635 1.00 0.00 H new ATOM 0 HA CYS B 33 -12.485 -10.467 -6.070 1.00 0.00 H new ATOM 0 HB2 CYS B 33 -14.313 -8.354 -6.065 1.00 0.00 H new ATOM 0 HB3 CYS B 33 -12.817 -7.602 -5.546 1.00 0.00 H new ATOM 1537 N LEU B 34 -12.021 -8.818 -3.250 1.00 0.00 N ATOM 1538 CA LEU B 34 -10.970 -8.504 -2.298 1.00 0.00 C ATOM 1539 C LEU B 34 -10.149 -9.742 -1.980 1.00 0.00 C ATOM 1540 O LEU B 34 -8.938 -9.657 -1.782 1.00 0.00 O ATOM 1541 CB LEU B 34 -11.534 -7.863 -1.043 1.00 0.00 C ATOM 1542 CG LEU B 34 -12.922 -8.343 -0.648 1.00 0.00 C ATOM 1543 CD1 LEU B 34 -12.827 -9.354 0.481 1.00 0.00 C ATOM 1544 CD2 LEU B 34 -13.792 -7.166 -0.259 1.00 0.00 C ATOM 0 H LEU B 34 -12.960 -8.530 -2.975 1.00 0.00 H new ATOM 0 HA LEU B 34 -10.304 -7.773 -2.755 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -10.850 -8.054 -0.216 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -11.566 -6.783 -1.187 1.00 0.00 H new ATOM 0 HG LEU B 34 -13.385 -8.836 -1.503 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -13.827 -9.689 0.754 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -12.234 -10.209 0.155 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -12.351 -8.891 1.345 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -14.783 -7.523 0.022 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -13.342 -6.644 0.585 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -13.878 -6.483 -1.104 1.00 0.00 H new ATOM 1556 N SER B 35 -10.806 -10.893 -1.933 1.00 0.00 N ATOM 1557 CA SER B 35 -10.097 -12.141 -1.705 1.00 0.00 C ATOM 1558 C SER B 35 -9.097 -12.338 -2.837 1.00 0.00 C ATOM 1559 O SER B 35 -7.997 -12.856 -2.646 1.00 0.00 O ATOM 1560 CB SER B 35 -11.080 -13.309 -1.678 1.00 0.00 C ATOM 1561 OG SER B 35 -10.413 -14.537 -1.445 1.00 0.00 O ATOM 0 H SER B 35 -11.815 -10.987 -2.048 1.00 0.00 H new ATOM 0 HA SER B 35 -9.581 -12.102 -0.746 1.00 0.00 H new ATOM 0 HB2 SER B 35 -11.824 -13.143 -0.899 1.00 0.00 H new ATOM 0 HB3 SER B 35 -11.616 -13.358 -2.626 1.00 0.00 H new ATOM 0 HG SER B 35 -11.067 -15.267 -1.431 1.00 0.00 H new ATOM 1567 N SER B 36 -9.521 -11.905 -4.021 1.00 0.00 N ATOM 1568 CA SER B 36 -8.715 -11.987 -5.246 1.00 0.00 C ATOM 1569 C SER B 36 -7.330 -11.337 -5.086 1.00 0.00 C ATOM 1570 O SER B 36 -6.336 -11.883 -5.562 1.00 0.00 O ATOM 1571 CB SER B 36 -9.467 -11.333 -6.410 1.00 0.00 C ATOM 1572 OG SER B 36 -9.128 -11.936 -7.647 1.00 0.00 O ATOM 0 H SER B 36 -10.439 -11.484 -4.164 1.00 0.00 H new ATOM 0 HA SER B 36 -8.552 -13.044 -5.455 1.00 0.00 H new ATOM 0 HB2 SER B 36 -10.541 -11.417 -6.245 1.00 0.00 H new ATOM 0 HB3 SER B 36 -9.232 -10.269 -6.445 1.00 0.00 H new ATOM 0 HG SER B 36 -9.624 -11.499 -8.371 1.00 0.00 H new ATOM 1578 N LEU B 37 -7.255 -10.167 -4.442 1.00 0.00 N ATOM 1579 CA LEU B 37 -5.955 -9.512 -4.241 1.00 0.00 C ATOM 1580 C LEU B 37 -5.145 -10.377 -3.319 1.00 0.00 C ATOM 1581 O LEU B 37 -4.015 -10.749 -3.624 1.00 0.00 O ATOM 1582 CB LEU B 37 -6.078 -8.104 -3.636 1.00 0.00 C ATOM 1583 CG LEU B 37 -4.831 -7.606 -2.898 1.00 0.00 C ATOM 1584 CD1 LEU B 37 -3.684 -7.389 -3.869 1.00 0.00 C ATOM 1585 CD2 LEU B 37 -5.126 -6.340 -2.120 1.00 0.00 C ATOM 0 H LEU B 37 -8.055 -9.664 -4.059 1.00 0.00 H new ATOM 0 HA LEU B 37 -5.480 -9.393 -5.215 1.00 0.00 H new ATOM 0 HB2 LEU B 37 -6.314 -7.401 -4.435 1.00 0.00 H new ATOM 0 HB3 LEU B 37 -6.920 -8.095 -2.944 1.00 0.00 H new ATOM 0 HG LEU B 37 -4.533 -8.374 -2.184 1.00 0.00 H new ATOM 0 HD11 LEU B 37 -2.808 -7.035 -3.325 1.00 0.00 H new ATOM 0 HD12 LEU B 37 -3.446 -8.329 -4.367 1.00 0.00 H new ATOM 0 HD13 LEU B 37 -3.973 -6.647 -4.613 1.00 0.00 H new ATOM 0 HD21 LEU B 37 -4.223 -6.010 -1.606 1.00 0.00 H new ATOM 0 HD22 LEU B 37 -5.459 -5.561 -2.806 1.00 0.00 H new ATOM 0 HD23 LEU B 37 -5.909 -6.537 -1.387 1.00 0.00 H new ATOM 1597 N SER B 38 -5.754 -10.709 -2.189 1.00 0.00 N ATOM 1598 CA SER B 38 -5.116 -11.562 -1.209 1.00 0.00 C ATOM 1599 C SER B 38 -4.932 -12.963 -1.783 1.00 0.00 C ATOM 1600 O SER B 38 -4.414 -13.860 -1.121 1.00 0.00 O ATOM 1601 CB SER B 38 -5.941 -11.605 0.083 1.00 0.00 C ATOM 1602 OG SER B 38 -6.304 -12.933 0.419 1.00 0.00 O ATOM 0 H SER B 38 -6.691 -10.397 -1.932 1.00 0.00 H new ATOM 0 HA SER B 38 -4.135 -11.153 -0.968 1.00 0.00 H new ATOM 0 HB2 SER B 38 -5.367 -11.166 0.898 1.00 0.00 H new ATOM 0 HB3 SER B 38 -6.839 -10.999 -0.037 1.00 0.00 H new ATOM 0 HG SER B 38 -6.828 -12.929 1.247 1.00 0.00 H new ATOM 1608 N ALA B 39 -5.364 -13.138 -3.027 1.00 0.00 N ATOM 1609 CA ALA B 39 -5.241 -14.414 -3.716 1.00 0.00 C ATOM 1610 C ALA B 39 -3.911 -14.483 -4.456 1.00 0.00 C ATOM 1611 O ALA B 39 -3.098 -15.363 -4.174 1.00 0.00 O ATOM 1612 CB ALA B 39 -6.403 -14.620 -4.677 1.00 0.00 C ATOM 0 H ALA B 39 -5.806 -12.405 -3.581 1.00 0.00 H new ATOM 0 HA ALA B 39 -5.270 -15.214 -2.976 1.00 0.00 H new ATOM 0 HB1 ALA B 39 -6.292 -15.580 -5.182 1.00 0.00 H new ATOM 0 HB2 ALA B 39 -7.341 -14.609 -4.122 1.00 0.00 H new ATOM 0 HB3 ALA B 39 -6.410 -13.820 -5.417 1.00 0.00 H new ATOM 1618 N SER B 40 -3.715 -13.538 -5.396 1.00 0.00 N ATOM 1619 CA SER B 40 -2.481 -13.421 -6.197 1.00 0.00 C ATOM 1620 C SER B 40 -2.777 -12.994 -7.630 1.00 0.00 C ATOM 1621 O SER B 40 -3.447 -13.707 -8.376 1.00 0.00 O ATOM 1622 CB SER B 40 -1.685 -14.730 -6.242 1.00 0.00 C ATOM 1623 OG SER B 40 -2.483 -15.799 -6.718 1.00 0.00 O ATOM 0 H SER B 40 -4.413 -12.830 -5.622 1.00 0.00 H new ATOM 0 HA SER B 40 -1.884 -12.658 -5.698 1.00 0.00 H new ATOM 0 HB2 SER B 40 -0.815 -14.607 -6.887 1.00 0.00 H new ATOM 0 HB3 SER B 40 -1.313 -14.967 -5.245 1.00 0.00 H new ATOM 0 HG SER B 40 -2.845 -16.301 -5.958 1.00 0.00 H new ATOM 1629 N SER B 41 -2.274 -11.821 -8.007 1.00 0.00 N ATOM 1630 CA SER B 41 -2.439 -11.324 -9.366 1.00 0.00 C ATOM 1631 C SER B 41 -1.070 -11.164 -9.992 1.00 0.00 C ATOM 1632 O SER B 41 -0.149 -10.653 -9.361 1.00 0.00 O ATOM 1633 CB SER B 41 -3.175 -9.983 -9.406 1.00 0.00 C ATOM 1634 OG SER B 41 -3.893 -9.834 -10.619 1.00 0.00 O ATOM 0 H SER B 41 -1.750 -11.200 -7.390 1.00 0.00 H new ATOM 0 HA SER B 41 -3.042 -12.044 -9.920 1.00 0.00 H new ATOM 0 HB2 SER B 41 -3.862 -9.916 -8.562 1.00 0.00 H new ATOM 0 HB3 SER B 41 -2.459 -9.168 -9.300 1.00 0.00 H new ATOM 0 HG SER B 41 -4.357 -8.971 -10.621 1.00 0.00 H new ATOM 1640 N ALA B 42 -0.947 -11.590 -11.235 1.00 0.00 N ATOM 1641 CA ALA B 42 0.323 -11.505 -11.950 1.00 0.00 C ATOM 1642 C ALA B 42 0.802 -10.065 -12.020 1.00 0.00 C ATOM 1643 O ALA B 42 1.930 -9.784 -12.429 1.00 0.00 O ATOM 1644 CB ALA B 42 0.177 -12.081 -13.347 1.00 0.00 C ATOM 0 H ALA B 42 -1.709 -12.000 -11.775 1.00 0.00 H new ATOM 0 HA ALA B 42 1.066 -12.088 -11.406 1.00 0.00 H new ATOM 0 HB1 ALA B 42 1.131 -12.012 -13.870 1.00 0.00 H new ATOM 0 HB2 ALA B 42 -0.125 -13.126 -13.280 1.00 0.00 H new ATOM 0 HB3 ALA B 42 -0.579 -11.519 -13.895 1.00 0.00 H new ATOM 1650 N ALA B 43 -0.068 -9.159 -11.605 1.00 0.00 N ATOM 1651 CA ALA B 43 0.219 -7.741 -11.640 1.00 0.00 C ATOM 1652 C ALA B 43 0.939 -7.244 -10.399 1.00 0.00 C ATOM 1653 O ALA B 43 2.051 -6.745 -10.500 1.00 0.00 O ATOM 1654 CB ALA B 43 -1.078 -6.974 -11.851 1.00 0.00 C ATOM 0 H ALA B 43 -0.991 -9.389 -11.236 1.00 0.00 H new ATOM 0 HA ALA B 43 0.901 -7.565 -12.472 1.00 0.00 H new ATOM 0 HB1 ALA B 43 -0.868 -5.905 -11.878 1.00 0.00 H new ATOM 0 HB2 ALA B 43 -1.532 -7.279 -12.794 1.00 0.00 H new ATOM 0 HB3 ALA B 43 -1.765 -7.188 -11.032 1.00 0.00 H new ATOM 1660 N CYS B 44 0.315 -7.386 -9.237 1.00 0.00 N ATOM 1661 CA CYS B 44 0.907 -6.905 -7.991 1.00 0.00 C ATOM 1662 C CYS B 44 2.402 -7.199 -7.907 1.00 0.00 C ATOM 1663 O CYS B 44 3.169 -6.424 -7.331 1.00 0.00 O ATOM 1664 CB CYS B 44 0.166 -7.483 -6.791 1.00 0.00 C ATOM 1665 SG CYS B 44 -0.957 -8.863 -7.178 1.00 0.00 S ATOM 0 H CYS B 44 -0.598 -7.828 -9.129 1.00 0.00 H new ATOM 0 HA CYS B 44 0.801 -5.820 -7.978 1.00 0.00 H new ATOM 0 HB2 CYS B 44 0.899 -7.824 -6.059 1.00 0.00 H new ATOM 0 HB3 CYS B 44 -0.409 -6.686 -6.319 1.00 0.00 H new ATOM 1670 N ILE B 45 2.811 -8.312 -8.479 1.00 0.00 N ATOM 1671 CA ILE B 45 4.214 -8.689 -8.474 1.00 0.00 C ATOM 1672 C ILE B 45 4.962 -8.002 -9.614 1.00 0.00 C ATOM 1673 O ILE B 45 6.035 -7.382 -9.422 1.00 0.00 O ATOM 1674 CB ILE B 45 4.392 -10.214 -8.559 1.00 0.00 C ATOM 1675 CG1 ILE B 45 3.109 -10.929 -8.128 1.00 0.00 C ATOM 1676 CG2 ILE B 45 5.556 -10.652 -7.680 1.00 0.00 C ATOM 1677 CD1 ILE B 45 2.452 -11.718 -9.239 1.00 0.00 C ATOM 0 H ILE B 45 2.195 -8.972 -8.953 1.00 0.00 H new ATOM 0 HA ILE B 45 4.638 -8.357 -7.526 1.00 0.00 H new ATOM 0 HB ILE B 45 4.607 -10.482 -9.593 1.00 0.00 H new ATOM 0 HG12 ILE B 45 3.338 -11.602 -7.302 1.00 0.00 H new ATOM 0 HG13 ILE B 45 2.401 -10.191 -7.750 1.00 0.00 H new ATOM 0 HG21 ILE B 45 5.675 -11.733 -7.746 1.00 0.00 H new ATOM 0 HG22 ILE B 45 6.471 -10.165 -8.018 1.00 0.00 H new ATOM 0 HG23 ILE B 45 5.357 -10.372 -6.646 1.00 0.00 H new ATOM 0 HD11 ILE B 45 1.549 -12.197 -8.860 1.00 0.00 H new ATOM 0 HD12 ILE B 45 2.191 -11.046 -10.057 1.00 0.00 H new ATOM 0 HD13 ILE B 45 3.142 -12.480 -9.602 1.00 0.00 H new ATOM 1689 N ALA B 46 4.372 -8.062 -10.803 1.00 0.00 N ATOM 1690 CA ALA B 46 4.992 -7.417 -11.957 1.00 0.00 C ATOM 1691 C ALA B 46 5.133 -5.953 -11.605 1.00 0.00 C ATOM 1692 O ALA B 46 5.944 -5.193 -12.150 1.00 0.00 O ATOM 1693 CB ALA B 46 4.150 -7.609 -13.209 1.00 0.00 C ATOM 0 H ALA B 46 3.489 -8.537 -10.992 1.00 0.00 H new ATOM 0 HA ALA B 46 5.965 -7.857 -12.177 1.00 0.00 H new ATOM 0 HB1 ALA B 46 4.635 -7.118 -14.053 1.00 0.00 H new ATOM 0 HB2 ALA B 46 4.047 -8.674 -13.418 1.00 0.00 H new ATOM 0 HB3 ALA B 46 3.163 -7.173 -13.054 1.00 0.00 H new ATOM 1699 N ALA B 47 4.326 -5.603 -10.627 1.00 0.00 N ATOM 1700 CA ALA B 47 4.263 -4.280 -10.088 1.00 0.00 C ATOM 1701 C ALA B 47 5.531 -3.965 -9.327 1.00 0.00 C ATOM 1702 O ALA B 47 6.124 -2.905 -9.516 1.00 0.00 O ATOM 1703 CB ALA B 47 3.068 -4.192 -9.169 1.00 0.00 C ATOM 0 H ALA B 47 3.682 -6.255 -10.179 1.00 0.00 H new ATOM 0 HA ALA B 47 4.163 -3.556 -10.896 1.00 0.00 H new ATOM 0 HB1 ALA B 47 3.005 -3.188 -8.749 1.00 0.00 H new ATOM 0 HB2 ALA B 47 2.160 -4.407 -9.732 1.00 0.00 H new ATOM 0 HB3 ALA B 47 3.175 -4.917 -8.362 1.00 0.00 H new ATOM 1709 N VAL B 48 5.954 -4.901 -8.476 1.00 0.00 N ATOM 1710 CA VAL B 48 7.155 -4.705 -7.674 1.00 0.00 C ATOM 1711 C VAL B 48 8.233 -4.061 -8.501 1.00 0.00 C ATOM 1712 O VAL B 48 9.008 -3.239 -8.016 1.00 0.00 O ATOM 1713 CB VAL B 48 7.714 -6.033 -7.128 1.00 0.00 C ATOM 1714 CG1 VAL B 48 8.828 -5.775 -6.125 1.00 0.00 C ATOM 1715 CG2 VAL B 48 6.616 -6.874 -6.509 1.00 0.00 C ATOM 0 H VAL B 48 5.485 -5.794 -8.327 1.00 0.00 H new ATOM 0 HA VAL B 48 6.868 -4.068 -6.837 1.00 0.00 H new ATOM 0 HB VAL B 48 8.131 -6.592 -7.966 1.00 0.00 H new ATOM 0 HG11 VAL B 48 9.209 -6.726 -5.752 1.00 0.00 H new ATOM 0 HG12 VAL B 48 9.635 -5.226 -6.611 1.00 0.00 H new ATOM 0 HG13 VAL B 48 8.440 -5.188 -5.293 1.00 0.00 H new ATOM 0 HG21 VAL B 48 7.039 -7.805 -6.132 1.00 0.00 H new ATOM 0 HG22 VAL B 48 6.157 -6.325 -5.687 1.00 0.00 H new ATOM 0 HG23 VAL B 48 5.861 -7.098 -7.262 1.00 0.00 H new ATOM 1725 N GLY B 49 8.280 -4.452 -9.753 1.00 0.00 N ATOM 1726 CA GLY B 49 9.284 -3.898 -10.646 1.00 0.00 C ATOM 1727 C GLY B 49 8.905 -2.595 -11.352 1.00 0.00 C ATOM 1728 O GLY B 49 9.788 -1.840 -11.749 1.00 0.00 O ATOM 0 H GLY B 49 7.652 -5.136 -10.175 1.00 0.00 H new ATOM 0 HA2 GLY B 49 10.196 -3.727 -10.074 1.00 0.00 H new ATOM 0 HA3 GLY B 49 9.519 -4.645 -11.405 1.00 0.00 H new ATOM 1732 N GLU B 50 7.616 -2.299 -11.482 1.00 0.00 N ATOM 1733 CA GLU B 50 7.190 -1.135 -12.274 1.00 0.00 C ATOM 1734 C GLU B 50 6.770 0.171 -11.568 1.00 0.00 C ATOM 1735 O GLU B 50 5.932 0.880 -12.111 1.00 0.00 O ATOM 1736 CB GLU B 50 6.176 -1.577 -13.304 1.00 0.00 C ATOM 1737 CG GLU B 50 6.854 -2.368 -14.388 1.00 0.00 C ATOM 1738 CD GLU B 50 6.805 -1.680 -15.738 1.00 0.00 C ATOM 1739 OE1 GLU B 50 5.806 -1.868 -16.464 1.00 0.00 O ATOM 1740 OE2 GLU B 50 7.765 -0.953 -16.071 1.00 0.00 O ATOM 0 H GLU B 50 6.856 -2.833 -11.061 1.00 0.00 H new ATOM 0 HA GLU B 50 8.123 -0.796 -12.723 1.00 0.00 H new ATOM 0 HB2 GLU B 50 5.404 -2.183 -12.829 1.00 0.00 H new ATOM 0 HB3 GLU B 50 5.679 -0.707 -13.734 1.00 0.00 H new ATOM 0 HG2 GLU B 50 7.894 -2.538 -14.110 1.00 0.00 H new ATOM 0 HG3 GLU B 50 6.381 -3.347 -14.467 1.00 0.00 H new ATOM 1747 N LEU B 51 7.219 0.427 -10.338 1.00 0.00 N ATOM 1748 CA LEU B 51 6.953 1.727 -9.656 1.00 0.00 C ATOM 1749 C LEU B 51 5.927 1.610 -8.567 1.00 0.00 C ATOM 1750 O LEU B 51 4.708 1.498 -8.821 1.00 0.00 O ATOM 1751 CB LEU B 51 6.574 2.852 -10.609 1.00 0.00 C ATOM 1752 CG LEU B 51 6.716 4.256 -10.023 1.00 0.00 C ATOM 1753 CD1 LEU B 51 8.180 4.628 -9.820 1.00 0.00 C ATOM 1754 CD2 LEU B 51 6.006 5.286 -10.891 1.00 0.00 C ATOM 0 H LEU B 51 7.766 -0.233 -9.785 1.00 0.00 H new ATOM 0 HA LEU B 51 7.908 1.993 -9.203 1.00 0.00 H new ATOM 0 HB2 LEU B 51 7.196 2.780 -11.501 1.00 0.00 H new ATOM 0 HB3 LEU B 51 5.542 2.708 -10.928 1.00 0.00 H new ATOM 0 HG LEU B 51 6.237 4.254 -9.044 1.00 0.00 H new ATOM 0 HD11 LEU B 51 8.246 5.633 -9.402 1.00 0.00 H new ATOM 0 HD12 LEU B 51 8.644 3.919 -9.135 1.00 0.00 H new ATOM 0 HD13 LEU B 51 8.699 4.599 -10.778 1.00 0.00 H new ATOM 0 HD21 LEU B 51 6.123 6.276 -10.450 1.00 0.00 H new ATOM 0 HD22 LEU B 51 6.440 5.280 -11.891 1.00 0.00 H new ATOM 0 HD23 LEU B 51 4.946 5.040 -10.954 1.00 0.00 H new ATOM 1766 N GLY B 52 6.467 1.662 -7.345 1.00 0.00 N ATOM 1767 CA GLY B 52 5.702 1.517 -6.135 1.00 0.00 C ATOM 1768 C GLY B 52 4.806 0.345 -6.253 1.00 0.00 C ATOM 1769 O GLY B 52 3.900 0.146 -5.446 1.00 0.00 O ATOM 0 H GLY B 52 7.463 1.809 -7.183 1.00 0.00 H new ATOM 0 HA2 GLY B 52 6.370 1.393 -5.283 1.00 0.00 H new ATOM 0 HA3 GLY B 52 5.117 2.418 -5.952 1.00 0.00 H new ATOM 1773 N LEU B 53 5.113 -0.428 -7.283 1.00 0.00 N ATOM 1774 CA LEU B 53 4.403 -1.611 -7.649 1.00 0.00 C ATOM 1775 C LEU B 53 3.399 -1.236 -8.722 1.00 0.00 C ATOM 1776 O LEU B 53 2.205 -1.498 -8.576 1.00 0.00 O ATOM 1777 CB LEU B 53 3.728 -2.307 -6.456 1.00 0.00 C ATOM 1778 CG LEU B 53 4.633 -2.710 -5.266 1.00 0.00 C ATOM 1779 CD1 LEU B 53 4.496 -4.189 -4.960 1.00 0.00 C ATOM 1780 CD2 LEU B 53 6.094 -2.356 -5.522 1.00 0.00 C ATOM 0 H LEU B 53 5.898 -0.227 -7.902 1.00 0.00 H new ATOM 0 HA LEU B 53 5.113 -2.344 -8.031 1.00 0.00 H new ATOM 0 HB2 LEU B 53 2.947 -1.647 -6.078 1.00 0.00 H new ATOM 0 HB3 LEU B 53 3.235 -3.206 -6.825 1.00 0.00 H new ATOM 0 HG LEU B 53 4.299 -2.140 -4.399 1.00 0.00 H new ATOM 0 HD11 LEU B 53 5.141 -4.448 -4.121 1.00 0.00 H new ATOM 0 HD12 LEU B 53 3.460 -4.413 -4.704 1.00 0.00 H new ATOM 0 HD13 LEU B 53 4.788 -4.770 -5.835 1.00 0.00 H new ATOM 0 HD21 LEU B 53 6.696 -2.655 -4.664 1.00 0.00 H new ATOM 0 HD22 LEU B 53 6.445 -2.879 -6.411 1.00 0.00 H new ATOM 0 HD23 LEU B 53 6.187 -1.281 -5.674 1.00 0.00 H new ATOM 1792 N ASP B 54 3.906 -0.607 -9.810 1.00 0.00 N ATOM 1793 CA ASP B 54 3.059 -0.169 -10.917 1.00 0.00 C ATOM 1794 C ASP B 54 1.622 -0.187 -10.492 1.00 0.00 C ATOM 1795 O ASP B 54 1.010 -1.246 -10.477 1.00 0.00 O ATOM 1796 CB ASP B 54 3.212 -1.086 -12.117 1.00 0.00 C ATOM 1797 CG ASP B 54 3.043 -0.357 -13.436 1.00 0.00 C ATOM 1798 OD1 ASP B 54 3.849 0.554 -13.720 1.00 0.00 O ATOM 1799 OD2 ASP B 54 2.104 -0.697 -14.186 1.00 0.00 O ATOM 0 H ASP B 54 4.897 -0.398 -9.933 1.00 0.00 H new ATOM 0 HA ASP B 54 3.366 0.840 -11.193 1.00 0.00 H new ATOM 0 HB2 ASP B 54 4.196 -1.554 -12.089 1.00 0.00 H new ATOM 0 HB3 ASP B 54 2.476 -1.888 -12.053 1.00 0.00 H new ATOM 1804 N VAL B 55 1.084 0.953 -10.119 1.00 0.00 N ATOM 1805 CA VAL B 55 -0.313 0.970 -9.684 1.00 0.00 C ATOM 1806 C VAL B 55 -1.193 0.110 -10.579 1.00 0.00 C ATOM 1807 O VAL B 55 -1.979 -0.679 -10.052 1.00 0.00 O ATOM 1808 CB VAL B 55 -0.934 2.380 -9.550 1.00 0.00 C ATOM 1809 CG1 VAL B 55 -1.802 2.750 -10.754 1.00 0.00 C ATOM 1810 CG2 VAL B 55 -1.751 2.440 -8.270 1.00 0.00 C ATOM 0 H VAL B 55 1.563 1.854 -10.104 1.00 0.00 H new ATOM 0 HA VAL B 55 -0.281 0.549 -8.679 1.00 0.00 H new ATOM 0 HB VAL B 55 -0.123 3.107 -9.514 1.00 0.00 H new ATOM 0 HG11 VAL B 55 -2.215 3.749 -10.612 1.00 0.00 H new ATOM 0 HG12 VAL B 55 -1.195 2.734 -11.659 1.00 0.00 H new ATOM 0 HG13 VAL B 55 -2.616 2.031 -10.850 1.00 0.00 H new ATOM 0 HG21 VAL B 55 -2.193 3.431 -8.167 1.00 0.00 H new ATOM 0 HG22 VAL B 55 -2.543 1.692 -8.308 1.00 0.00 H new ATOM 0 HG23 VAL B 55 -1.104 2.240 -7.416 1.00 0.00 H new ATOM 1820 N PRO B 56 -1.061 0.203 -11.935 1.00 0.00 N ATOM 1821 CA PRO B 56 -1.889 -0.588 -12.842 1.00 0.00 C ATOM 1822 C PRO B 56 -1.730 -2.064 -12.553 1.00 0.00 C ATOM 1823 O PRO B 56 -2.538 -2.889 -12.979 1.00 0.00 O ATOM 1824 CB PRO B 56 -1.354 -0.247 -14.238 1.00 0.00 C ATOM 1825 CG PRO B 56 -0.658 1.057 -14.069 1.00 0.00 C ATOM 1826 CD PRO B 56 -0.082 1.026 -12.683 1.00 0.00 C ATOM 0 HA PRO B 56 -2.951 -0.367 -12.740 1.00 0.00 H new ATOM 0 HB2 PRO B 56 -0.671 -1.016 -14.599 1.00 0.00 H new ATOM 0 HB3 PRO B 56 -2.163 -0.173 -14.965 1.00 0.00 H new ATOM 0 HG2 PRO B 56 0.125 1.184 -14.817 1.00 0.00 H new ATOM 0 HG3 PRO B 56 -1.351 1.890 -14.188 1.00 0.00 H new ATOM 0 HD2 PRO B 56 0.913 0.582 -12.669 1.00 0.00 H new ATOM 0 HD3 PRO B 56 0.010 2.027 -12.261 1.00 0.00 H new ATOM 1834 N LEU B 57 -0.636 -2.394 -11.884 1.00 0.00 N ATOM 1835 CA LEU B 57 -0.374 -3.758 -11.503 1.00 0.00 C ATOM 1836 C LEU B 57 -0.784 -4.066 -10.057 1.00 0.00 C ATOM 1837 O LEU B 57 -1.731 -4.806 -9.833 1.00 0.00 O ATOM 1838 CB LEU B 57 1.089 -4.112 -11.726 1.00 0.00 C ATOM 1839 CG LEU B 57 1.605 -3.917 -13.157 1.00 0.00 C ATOM 1840 CD1 LEU B 57 3.062 -4.326 -13.259 1.00 0.00 C ATOM 1841 CD2 LEU B 57 0.765 -4.711 -14.148 1.00 0.00 C ATOM 0 H LEU B 57 0.081 -1.728 -11.597 1.00 0.00 H new ATOM 0 HA LEU B 57 -0.995 -4.381 -12.147 1.00 0.00 H new ATOM 0 HB2 LEU B 57 1.698 -3.507 -11.053 1.00 0.00 H new ATOM 0 HB3 LEU B 57 1.240 -5.154 -11.443 1.00 0.00 H new ATOM 0 HG LEU B 57 1.522 -2.859 -13.405 1.00 0.00 H new ATOM 0 HD11 LEU B 57 3.410 -4.180 -14.282 1.00 0.00 H new ATOM 0 HD12 LEU B 57 3.660 -3.715 -12.582 1.00 0.00 H new ATOM 0 HD13 LEU B 57 3.165 -5.376 -12.987 1.00 0.00 H new ATOM 0 HD21 LEU B 57 1.150 -4.557 -15.156 1.00 0.00 H new ATOM 0 HD22 LEU B 57 0.814 -5.771 -13.899 1.00 0.00 H new ATOM 0 HD23 LEU B 57 -0.270 -4.374 -14.099 1.00 0.00 H new ATOM 1853 N ASP B 58 -0.064 -3.485 -9.085 1.00 0.00 N ATOM 1854 CA ASP B 58 -0.304 -3.754 -7.657 1.00 0.00 C ATOM 1855 C ASP B 58 -1.574 -3.190 -7.079 1.00 0.00 C ATOM 1856 O ASP B 58 -2.405 -3.944 -6.593 1.00 0.00 O ATOM 1857 CB ASP B 58 0.846 -3.240 -6.828 1.00 0.00 C ATOM 1858 CG ASP B 58 0.599 -3.386 -5.341 1.00 0.00 C ATOM 1859 OD1 ASP B 58 -0.020 -4.391 -4.936 1.00 0.00 O ATOM 1860 OD2 ASP B 58 1.019 -2.488 -4.583 1.00 0.00 O ATOM 0 H ASP B 58 0.692 -2.823 -9.262 1.00 0.00 H new ATOM 0 HA ASP B 58 -0.403 -4.839 -7.614 1.00 0.00 H new ATOM 0 HB2 ASP B 58 1.754 -3.780 -7.097 1.00 0.00 H new ATOM 0 HB3 ASP B 58 1.018 -2.190 -7.063 1.00 0.00 H new ATOM 1865 N LEU B 59 -1.723 -1.882 -7.079 1.00 0.00 N ATOM 1866 CA LEU B 59 -2.908 -1.307 -6.491 1.00 0.00 C ATOM 1867 C LEU B 59 -4.068 -1.587 -7.368 1.00 0.00 C ATOM 1868 O LEU B 59 -5.200 -1.336 -7.011 1.00 0.00 O ATOM 1869 CB LEU B 59 -2.761 0.157 -6.165 1.00 0.00 C ATOM 1870 CG LEU B 59 -2.489 0.411 -4.690 1.00 0.00 C ATOM 1871 CD1 LEU B 59 -3.758 0.323 -3.876 1.00 0.00 C ATOM 1872 CD2 LEU B 59 -1.443 -0.565 -4.148 1.00 0.00 C ATOM 0 H LEU B 59 -1.057 -1.215 -7.469 1.00 0.00 H new ATOM 0 HA LEU B 59 -3.076 -1.781 -5.524 1.00 0.00 H new ATOM 0 HB2 LEU B 59 -1.947 0.576 -6.757 1.00 0.00 H new ATOM 0 HB3 LEU B 59 -3.670 0.682 -6.457 1.00 0.00 H new ATOM 0 HG LEU B 59 -2.096 1.424 -4.600 1.00 0.00 H new ATOM 0 HD11 LEU B 59 -3.531 0.509 -2.826 1.00 0.00 H new ATOM 0 HD12 LEU B 59 -4.470 1.068 -4.231 1.00 0.00 H new ATOM 0 HD13 LEU B 59 -4.190 -0.672 -3.983 1.00 0.00 H new ATOM 0 HD21 LEU B 59 -1.268 -0.361 -3.092 1.00 0.00 H new ATOM 0 HD22 LEU B 59 -1.804 -1.587 -4.265 1.00 0.00 H new ATOM 0 HD23 LEU B 59 -0.511 -0.443 -4.700 1.00 0.00 H new ATOM 1884 N ALA B 60 -3.746 -2.016 -8.563 1.00 0.00 N ATOM 1885 CA ALA B 60 -4.739 -2.411 -9.516 1.00 0.00 C ATOM 1886 C ALA B 60 -5.043 -3.872 -9.256 1.00 0.00 C ATOM 1887 O ALA B 60 -6.137 -4.347 -9.516 1.00 0.00 O ATOM 1888 CB ALA B 60 -4.241 -2.187 -10.917 1.00 0.00 C ATOM 0 H ALA B 60 -2.786 -2.099 -8.897 1.00 0.00 H new ATOM 0 HA ALA B 60 -5.647 -1.817 -9.412 1.00 0.00 H new ATOM 0 HB1 ALA B 60 -5.008 -2.492 -11.629 1.00 0.00 H new ATOM 0 HB2 ALA B 60 -4.015 -1.130 -11.058 1.00 0.00 H new ATOM 0 HB3 ALA B 60 -3.339 -2.776 -11.081 1.00 0.00 H new ATOM 1894 N CYS B 61 -4.026 -4.578 -8.750 1.00 0.00 N ATOM 1895 CA CYS B 61 -4.166 -5.972 -8.349 1.00 0.00 C ATOM 1896 C CYS B 61 -5.003 -5.949 -7.085 1.00 0.00 C ATOM 1897 O CYS B 61 -5.876 -6.787 -6.831 1.00 0.00 O ATOM 1898 CB CYS B 61 -2.788 -6.592 -8.058 1.00 0.00 C ATOM 1899 SG CYS B 61 -2.820 -8.057 -6.974 1.00 0.00 S ATOM 0 H CYS B 61 -3.090 -4.197 -8.610 1.00 0.00 H new ATOM 0 HA CYS B 61 -4.628 -6.570 -9.135 1.00 0.00 H new ATOM 0 HB2 CYS B 61 -2.323 -6.868 -9.004 1.00 0.00 H new ATOM 0 HB3 CYS B 61 -2.153 -5.833 -7.600 1.00 0.00 H new ATOM 1904 N ALA B 62 -4.736 -4.908 -6.323 1.00 0.00 N ATOM 1905 CA ALA B 62 -5.405 -4.664 -5.077 1.00 0.00 C ATOM 1906 C ALA B 62 -6.766 -4.021 -5.323 1.00 0.00 C ATOM 1907 O ALA B 62 -7.762 -4.412 -4.713 1.00 0.00 O ATOM 1908 CB ALA B 62 -4.517 -3.803 -4.200 1.00 0.00 C ATOM 0 H ALA B 62 -4.038 -4.203 -6.561 1.00 0.00 H new ATOM 0 HA ALA B 62 -5.588 -5.605 -4.559 1.00 0.00 H new ATOM 0 HB1 ALA B 62 -5.018 -3.613 -3.251 1.00 0.00 H new ATOM 0 HB2 ALA B 62 -3.575 -4.321 -4.016 1.00 0.00 H new ATOM 0 HB3 ALA B 62 -4.318 -2.856 -4.702 1.00 0.00 H new ATOM 1914 N ALA B 63 -6.801 -3.037 -6.229 1.00 0.00 N ATOM 1915 CA ALA B 63 -8.048 -2.369 -6.585 1.00 0.00 C ATOM 1916 C ALA B 63 -8.940 -3.374 -7.249 1.00 0.00 C ATOM 1917 O ALA B 63 -10.157 -3.355 -7.092 1.00 0.00 O ATOM 1918 CB ALA B 63 -7.818 -1.193 -7.519 1.00 0.00 C ATOM 0 H ALA B 63 -5.980 -2.690 -6.725 1.00 0.00 H new ATOM 0 HA ALA B 63 -8.506 -1.974 -5.678 1.00 0.00 H new ATOM 0 HB1 ALA B 63 -8.773 -0.726 -7.758 1.00 0.00 H new ATOM 0 HB2 ALA B 63 -7.169 -0.464 -7.034 1.00 0.00 H new ATOM 0 HB3 ALA B 63 -7.347 -1.544 -8.437 1.00 0.00 H new ATOM 1924 N THR B 64 -8.310 -4.275 -7.987 1.00 0.00 N ATOM 1925 CA THR B 64 -9.056 -5.332 -8.650 1.00 0.00 C ATOM 1926 C THR B 64 -9.494 -6.332 -7.599 1.00 0.00 C ATOM 1927 O THR B 64 -9.919 -7.442 -7.917 1.00 0.00 O ATOM 1928 CB THR B 64 -8.284 -6.056 -9.794 1.00 0.00 C ATOM 1929 OG1 THR B 64 -9.217 -6.722 -10.652 1.00 0.00 O ATOM 1930 CG2 THR B 64 -7.273 -7.080 -9.276 1.00 0.00 C ATOM 0 H THR B 64 -7.302 -4.297 -8.140 1.00 0.00 H new ATOM 0 HA THR B 64 -9.908 -4.862 -9.142 1.00 0.00 H new ATOM 0 HB THR B 64 -7.729 -5.290 -10.335 1.00 0.00 H new ATOM 0 HG1 THR B 64 -9.854 -7.232 -10.109 1.00 0.00 H new ATOM 0 HG21 THR B 64 -6.767 -7.551 -10.119 1.00 0.00 H new ATOM 0 HG22 THR B 64 -6.538 -6.579 -8.646 1.00 0.00 H new ATOM 0 HG23 THR B 64 -7.792 -7.841 -8.693 1.00 0.00 H new ATOM 1938 N ALA B 65 -9.384 -5.922 -6.327 1.00 0.00 N ATOM 1939 CA ALA B 65 -9.753 -6.789 -5.233 1.00 0.00 C ATOM 1940 C ALA B 65 -9.927 -6.066 -3.884 1.00 0.00 C ATOM 1941 O ALA B 65 -10.965 -5.476 -3.629 1.00 0.00 O ATOM 1942 CB ALA B 65 -8.726 -7.881 -5.121 1.00 0.00 C ATOM 0 H ALA B 65 -9.044 -5.002 -6.047 1.00 0.00 H new ATOM 0 HA ALA B 65 -10.737 -7.198 -5.462 1.00 0.00 H new ATOM 0 HB1 ALA B 65 -8.990 -8.546 -4.298 1.00 0.00 H new ATOM 0 HB2 ALA B 65 -8.696 -8.449 -6.051 1.00 0.00 H new ATOM 0 HB3 ALA B 65 -7.747 -7.441 -4.932 1.00 0.00 H new ATOM 1948 N THR B 66 -8.912 -6.132 -3.013 1.00 0.00 N ATOM 1949 CA THR B 66 -9.009 -5.554 -1.662 1.00 0.00 C ATOM 1950 C THR B 66 -8.740 -4.058 -1.588 1.00 0.00 C ATOM 1951 O THR B 66 -9.483 -3.356 -0.905 1.00 0.00 O ATOM 1952 CB THR B 66 -8.091 -6.282 -0.667 1.00 0.00 C ATOM 1953 OG1 THR B 66 -7.696 -7.548 -1.195 1.00 0.00 O ATOM 1954 CG2 THR B 66 -8.797 -6.496 0.658 1.00 0.00 C ATOM 0 H THR B 66 -8.017 -6.577 -3.216 1.00 0.00 H new ATOM 0 HA THR B 66 -10.054 -5.699 -1.387 1.00 0.00 H new ATOM 0 HB THR B 66 -7.210 -5.661 -0.506 1.00 0.00 H new ATOM 0 HG1 THR B 66 -8.442 -8.180 -1.122 1.00 0.00 H new ATOM 0 HG21 THR B 66 -8.129 -7.013 1.347 1.00 0.00 H new ATOM 0 HG22 THR B 66 -9.078 -5.531 1.080 1.00 0.00 H new ATOM 0 HG23 THR B 66 -9.692 -7.098 0.500 1.00 0.00 H new ATOM 1962 N SER B 67 -7.695 -3.543 -2.246 1.00 0.00 N ATOM 1963 CA SER B 67 -7.472 -2.089 -2.187 1.00 0.00 C ATOM 1964 C SER B 67 -8.788 -1.453 -2.538 1.00 0.00 C ATOM 1965 O SER B 67 -9.072 -0.294 -2.229 1.00 0.00 O ATOM 1966 CB SER B 67 -6.377 -1.595 -3.110 1.00 0.00 C ATOM 1967 OG SER B 67 -6.341 -0.184 -3.106 1.00 0.00 O ATOM 0 H SER B 67 -7.022 -4.074 -2.798 1.00 0.00 H new ATOM 0 HA SER B 67 -7.128 -1.819 -1.188 1.00 0.00 H new ATOM 0 HB2 SER B 67 -5.414 -1.992 -2.790 1.00 0.00 H new ATOM 0 HB3 SER B 67 -6.552 -1.959 -4.122 1.00 0.00 H new ATOM 0 HG SER B 67 -6.297 0.145 -4.028 1.00 0.00 H new ATOM 1973 N SER B 68 -9.549 -2.268 -3.250 1.00 0.00 N ATOM 1974 CA SER B 68 -10.901 -2.024 -3.611 1.00 0.00 C ATOM 1975 C SER B 68 -11.148 -0.955 -4.639 1.00 0.00 C ATOM 1976 O SER B 68 -11.027 0.239 -4.391 1.00 0.00 O ATOM 1977 CB SER B 68 -11.768 -1.810 -2.380 1.00 0.00 C ATOM 1978 OG SER B 68 -11.050 -1.213 -1.316 1.00 0.00 O ATOM 0 H SER B 68 -9.204 -3.161 -3.602 1.00 0.00 H new ATOM 0 HA SER B 68 -11.194 -2.941 -4.123 1.00 0.00 H new ATOM 0 HB2 SER B 68 -12.618 -1.179 -2.642 1.00 0.00 H new ATOM 0 HB3 SER B 68 -12.171 -2.768 -2.051 1.00 0.00 H new ATOM 0 HG SER B 68 -11.008 -0.244 -1.453 1.00 0.00 H new ATOM 1984 N ALA B 69 -11.507 -1.460 -5.800 1.00 0.00 N ATOM 1985 CA ALA B 69 -11.896 -0.660 -6.950 1.00 0.00 C ATOM 1986 C ALA B 69 -11.908 -1.533 -8.192 1.00 0.00 C ATOM 1987 O ALA B 69 -11.387 -1.161 -9.244 1.00 0.00 O ATOM 1988 CB ALA B 69 -10.985 0.539 -7.141 1.00 0.00 C ATOM 0 H ALA B 69 -11.538 -2.464 -5.978 1.00 0.00 H new ATOM 0 HA ALA B 69 -12.898 -0.269 -6.772 1.00 0.00 H new ATOM 0 HB1 ALA B 69 -11.311 1.109 -8.011 1.00 0.00 H new ATOM 0 HB2 ALA B 69 -11.027 1.173 -6.255 1.00 0.00 H new ATOM 0 HB3 ALA B 69 -9.961 0.197 -7.294 1.00 0.00 H new ATOM 1994 N THR B 70 -12.518 -2.703 -8.051 1.00 0.00 N ATOM 1995 CA THR B 70 -12.601 -3.668 -9.135 1.00 0.00 C ATOM 1996 C THR B 70 -13.923 -3.554 -9.875 1.00 0.00 C ATOM 1997 O THR B 70 -14.954 -4.044 -9.418 1.00 0.00 O ATOM 1998 CB THR B 70 -12.428 -5.113 -8.623 1.00 0.00 C ATOM 1999 OG1 THR B 70 -13.337 -5.990 -9.297 1.00 0.00 O ATOM 2000 CG2 THR B 70 -12.650 -5.190 -7.122 1.00 0.00 C ATOM 0 H THR B 70 -12.966 -3.007 -7.186 1.00 0.00 H new ATOM 0 HA THR B 70 -11.786 -3.438 -9.821 1.00 0.00 H new ATOM 0 HB THR B 70 -11.406 -5.426 -8.835 1.00 0.00 H new ATOM 0 HG1 THR B 70 -13.545 -6.753 -8.718 1.00 0.00 H new ATOM 0 HG21 THR B 70 -12.522 -6.220 -6.788 1.00 0.00 H new ATOM 0 HG22 THR B 70 -11.928 -4.551 -6.614 1.00 0.00 H new ATOM 0 HG23 THR B 70 -13.660 -4.855 -6.886 1.00 0.00 H new ATOM 2008 N GLU B 71 -13.875 -2.906 -11.026 1.00 0.00 N ATOM 2009 CA GLU B 71 -15.050 -2.715 -11.860 1.00 0.00 C ATOM 2010 C GLU B 71 -15.557 -4.053 -12.396 1.00 0.00 C ATOM 2011 O GLU B 71 -16.581 -4.121 -13.076 1.00 0.00 O ATOM 2012 CB GLU B 71 -14.700 -1.741 -12.990 1.00 0.00 C ATOM 2013 CG GLU B 71 -15.751 -1.636 -14.087 1.00 0.00 C ATOM 2014 CD GLU B 71 -15.345 -0.682 -15.194 1.00 0.00 C ATOM 2015 OE1 GLU B 71 -15.643 0.525 -15.075 1.00 0.00 O ATOM 2016 OE2 GLU B 71 -14.730 -1.143 -16.178 1.00 0.00 O ATOM 0 H GLU B 71 -13.022 -2.498 -11.409 1.00 0.00 H new ATOM 0 HA GLU B 71 -15.860 -2.288 -11.269 1.00 0.00 H new ATOM 0 HB2 GLU B 71 -14.541 -0.751 -12.562 1.00 0.00 H new ATOM 0 HB3 GLU B 71 -13.756 -2.050 -13.438 1.00 0.00 H new ATOM 0 HG2 GLU B 71 -15.928 -2.624 -14.511 1.00 0.00 H new ATOM 0 HG3 GLU B 71 -16.693 -1.302 -13.652 1.00 0.00 H new ATOM 2023 N ALA B 72 -14.844 -5.123 -12.061 1.00 0.00 N ATOM 2024 CA ALA B 72 -15.218 -6.452 -12.516 1.00 0.00 C ATOM 2025 C ALA B 72 -16.074 -7.199 -11.489 1.00 0.00 C ATOM 2026 O ALA B 72 -16.982 -7.942 -11.863 1.00 0.00 O ATOM 2027 CB ALA B 72 -13.978 -7.263 -12.858 1.00 0.00 C ATOM 0 H ALA B 72 -14.007 -5.094 -11.478 1.00 0.00 H new ATOM 0 HA ALA B 72 -15.825 -6.326 -13.412 1.00 0.00 H new ATOM 0 HB1 ALA B 72 -14.275 -8.256 -13.197 1.00 0.00 H new ATOM 0 HB2 ALA B 72 -13.421 -6.761 -13.649 1.00 0.00 H new ATOM 0 HB3 ALA B 72 -13.348 -7.355 -11.973 1.00 0.00 H new ATOM 2033 N CYS B 73 -15.792 -7.006 -10.199 1.00 0.00 N ATOM 2034 CA CYS B 73 -16.554 -7.684 -9.150 1.00 0.00 C ATOM 2035 C CYS B 73 -17.384 -6.705 -8.366 1.00 0.00 C ATOM 2036 O CYS B 73 -18.094 -7.092 -7.439 1.00 0.00 O ATOM 2037 CB CYS B 73 -15.634 -8.371 -8.145 1.00 0.00 C ATOM 2038 SG CYS B 73 -14.190 -9.201 -8.868 1.00 0.00 S ATOM 0 H CYS B 73 -15.051 -6.393 -9.859 1.00 0.00 H new ATOM 0 HA CYS B 73 -17.183 -8.414 -9.659 1.00 0.00 H new ATOM 0 HB2 CYS B 73 -15.286 -7.628 -7.427 1.00 0.00 H new ATOM 0 HB3 CYS B 73 -16.215 -9.106 -7.587 1.00 0.00 H new ATOM 2043 N LYS B 74 -17.310 -5.443 -8.730 1.00 0.00 N ATOM 2044 CA LYS B 74 -18.007 -4.442 -7.969 1.00 0.00 C ATOM 2045 C LYS B 74 -19.513 -4.534 -8.026 1.00 0.00 C ATOM 2046 O LYS B 74 -20.113 -5.577 -7.763 1.00 0.00 O ATOM 2047 CB LYS B 74 -17.562 -3.029 -8.310 1.00 0.00 C ATOM 2048 CG LYS B 74 -17.856 -2.068 -7.169 1.00 0.00 C ATOM 2049 CD LYS B 74 -18.980 -1.091 -7.488 1.00 0.00 C ATOM 2050 CE LYS B 74 -19.364 -0.222 -6.304 1.00 0.00 C ATOM 2051 NZ LYS B 74 -20.214 0.931 -6.714 1.00 0.00 N ATOM 0 H LYS B 74 -16.784 -5.095 -9.532 1.00 0.00 H new ATOM 0 HA LYS B 74 -17.721 -4.666 -6.941 1.00 0.00 H new ATOM 0 HB2 LYS B 74 -16.494 -3.024 -8.527 1.00 0.00 H new ATOM 0 HB3 LYS B 74 -18.072 -2.692 -9.213 1.00 0.00 H new ATOM 0 HG2 LYS B 74 -18.120 -2.639 -6.279 1.00 0.00 H new ATOM 0 HG3 LYS B 74 -16.952 -1.508 -6.931 1.00 0.00 H new ATOM 0 HD2 LYS B 74 -18.674 -0.452 -8.317 1.00 0.00 H new ATOM 0 HD3 LYS B 74 -19.855 -1.649 -7.821 1.00 0.00 H new ATOM 0 HE2 LYS B 74 -19.899 -0.824 -5.570 1.00 0.00 H new ATOM 0 HE3 LYS B 74 -18.462 0.147 -5.817 1.00 0.00 H new ATOM 0 HZ1 LYS B 74 -20.300 1.598 -5.921 1.00 0.00 H new ATOM 0 HZ2 LYS B 74 -19.777 1.413 -7.526 1.00 0.00 H new ATOM 0 HZ3 LYS B 74 -21.158 0.588 -6.982 1.00 0.00 H new ATOM 2065 N GLY B 75 -20.107 -3.416 -8.377 1.00 0.00 N ATOM 2066 CA GLY B 75 -21.526 -3.294 -8.351 1.00 0.00 C ATOM 2067 C GLY B 75 -21.926 -3.336 -6.901 1.00 0.00 C ATOM 2068 O GLY B 75 -23.062 -3.662 -6.558 1.00 0.00 O ATOM 0 H GLY B 75 -19.614 -2.578 -8.685 1.00 0.00 H new ATOM 0 HA2 GLY B 75 -21.845 -2.361 -8.816 1.00 0.00 H new ATOM 0 HA3 GLY B 75 -21.996 -4.104 -8.908 1.00 0.00 H new ATOM 2072 N CYS B 76 -20.947 -2.988 -6.037 1.00 0.00 N ATOM 2073 CA CYS B 76 -21.145 -3.041 -4.607 1.00 0.00 C ATOM 2074 C CYS B 76 -20.088 -2.280 -3.779 1.00 0.00 C ATOM 2075 O CYS B 76 -20.415 -1.318 -3.089 1.00 0.00 O ATOM 2076 CB CYS B 76 -21.093 -4.507 -4.172 1.00 0.00 C ATOM 2077 SG CYS B 76 -22.693 -5.372 -4.130 1.00 0.00 S ATOM 0 H CYS B 76 -20.021 -2.671 -6.323 1.00 0.00 H new ATOM 0 HA CYS B 76 -22.105 -2.561 -4.417 1.00 0.00 H new ATOM 0 HB2 CYS B 76 -20.427 -5.044 -4.848 1.00 0.00 H new ATOM 0 HB3 CYS B 76 -20.647 -4.557 -3.179 1.00 0.00 H new ATOM 2082 N LEU B 77 -18.817 -2.694 -3.885 1.00 0.00 N ATOM 2083 CA LEU B 77 -17.752 -2.179 -2.997 1.00 0.00 C ATOM 2084 C LEU B 77 -16.767 -1.116 -3.528 1.00 0.00 C ATOM 2085 O LEU B 77 -16.057 -0.540 -2.708 1.00 0.00 O ATOM 2086 CB LEU B 77 -16.932 -3.386 -2.546 1.00 0.00 C ATOM 2087 CG LEU B 77 -15.768 -3.097 -1.596 1.00 0.00 C ATOM 2088 CD1 LEU B 77 -16.280 -2.498 -0.310 1.00 0.00 C ATOM 2089 CD2 LEU B 77 -14.979 -4.360 -1.305 1.00 0.00 C ATOM 0 H LEU B 77 -18.498 -3.379 -4.570 1.00 0.00 H new ATOM 0 HA LEU B 77 -18.296 -1.641 -2.221 1.00 0.00 H new ATOM 0 HB2 LEU B 77 -17.603 -4.093 -2.059 1.00 0.00 H new ATOM 0 HB3 LEU B 77 -16.536 -3.881 -3.432 1.00 0.00 H new ATOM 0 HG LEU B 77 -15.103 -2.382 -2.081 1.00 0.00 H new ATOM 0 HD11 LEU B 77 -15.442 -2.297 0.357 1.00 0.00 H new ATOM 0 HD12 LEU B 77 -16.803 -1.566 -0.526 1.00 0.00 H new ATOM 0 HD13 LEU B 77 -16.966 -3.197 0.169 1.00 0.00 H new ATOM 0 HD21 LEU B 77 -14.157 -4.128 -0.628 1.00 0.00 H new ATOM 0 HD22 LEU B 77 -15.633 -5.099 -0.842 1.00 0.00 H new ATOM 0 HD23 LEU B 77 -14.579 -4.762 -2.236 1.00 0.00 H new ATOM 2101 N TRP B 78 -16.704 -0.832 -4.831 1.00 0.00 N ATOM 2102 CA TRP B 78 -15.711 0.149 -5.357 1.00 0.00 C ATOM 2103 C TRP B 78 -15.109 1.024 -4.262 1.00 0.00 C ATOM 2104 O TRP B 78 -13.887 0.916 -4.029 1.00 0.00 O ATOM 2105 CB TRP B 78 -16.286 1.062 -6.452 1.00 0.00 C ATOM 2106 CG TRP B 78 -16.114 0.520 -7.831 1.00 0.00 C ATOM 2107 CD1 TRP B 78 -15.208 -0.408 -8.241 1.00 0.00 C ATOM 2108 CD2 TRP B 78 -16.883 0.866 -8.976 1.00 0.00 C ATOM 2109 NE1 TRP B 78 -15.394 -0.694 -9.565 1.00 0.00 N ATOM 2110 CE2 TRP B 78 -16.417 0.083 -10.040 1.00 0.00 C ATOM 2111 CE3 TRP B 78 -17.933 1.751 -9.197 1.00 0.00 C ATOM 2112 CZ2 TRP B 78 -16.967 0.158 -11.306 1.00 0.00 C ATOM 2113 CZ3 TRP B 78 -18.480 1.832 -10.462 1.00 0.00 C ATOM 2114 CH2 TRP B 78 -17.998 1.034 -11.505 1.00 0.00 C ATOM 2115 OXT TRP B 78 -15.861 1.802 -3.642 1.00 0.00 O ATOM 0 H TRP B 78 -17.308 -1.249 -5.540 1.00 0.00 H new ATOM 0 HA TRP B 78 -14.927 -0.471 -5.792 1.00 0.00 H new ATOM 0 HB2 TRP B 78 -17.348 1.219 -6.262 1.00 0.00 H new ATOM 0 HB3 TRP B 78 -15.803 2.037 -6.391 1.00 0.00 H new ATOM 0 HD1 TRP B 78 -14.452 -0.854 -7.612 1.00 0.00 H new ATOM 0 HE1 TRP B 78 -14.860 -1.373 -10.108 1.00 0.00 H new ATOM 0 HE3 TRP B 78 -18.314 2.364 -8.393 1.00 0.00 H new ATOM 0 HZ2 TRP B 78 -16.594 -0.456 -12.113 1.00 0.00 H new ATOM 0 HZ3 TRP B 78 -19.291 2.521 -10.649 1.00 0.00 H new ATOM 0 HH2 TRP B 78 -18.448 1.111 -12.484 1.00 0.00 H new