USER MOD reduce.3.24.130724 H: found=0, std=0, add=986, rem=0, adj=36 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 21 GLN : amide:sc= -7.97! C(o=-8!,f=-22!) USER MOD Set 1.2: B 24 SER OG : rot 150:sc= -0.0707! USER MOD Set 2.1: B 20 THR OG1 : rot 7:sc= 0.412 USER MOD Set 2.2: B 68 SER OG : rot 120:sc= -4.12! USER MOD Set 3.1: A 20 THR OG1 : rot -1:sc= 0.193 USER MOD Set 3.2: A 68 SER OG : rot 103:sc= -3.76! USER MOD Set 4.1: A 21 GLN : amide:sc= -7.72! C(o=-7.8!,f=-23!) USER MOD Set 4.2: A 24 SER OG : rot 150:sc= -0.104! USER MOD Single : A 4 SER OG : rot 180:sc= -0.0559 USER MOD Single : A 11 LYS NZ :NH3+ -138:sc= -0.0564 (180deg=-0.356) USER MOD Single : A 12 TYR OH : rot 180:sc=-0.00629 USER MOD Single : A 13 ASN :FLIP amide:sc= -12.6! C(o=-20!,f=-13!) USER MOD Single : A 23 SER OG : rot -79:sc= -6.15! USER MOD Single : A 27 ASN :FLIP amide:sc= -0.534 F(o=-4.5!,f=-0.53) USER MOD Single : A 35 SER OG : rot 73:sc= 0.396 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot -30:sc= -0.0832 USER MOD Single : A 40 SER OG : rot 27:sc= 0.166 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot -47:sc= 0.135 USER MOD Single : A 66 THR OG1 : rot -90:sc= -2.52! USER MOD Single : A 67 SER OG : rot 20:sc= -4! USER MOD Single : A 70 THR OG1 : rot -159:sc= 1.83 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 4 SER OG : rot 180:sc= -0.0165 USER MOD Single : B 11 LYS NZ :NH3+ -165:sc= -0.0589 (180deg=-0.312) USER MOD Single : B 12 TYR OH : rot 180:sc=-0.00819 USER MOD Single : B 13 ASN :FLIP amide:sc= -12.3! C(o=-19!,f=-12!) USER MOD Single : B 23 SER OG : rot -82:sc= -6.1! USER MOD Single : B 27 ASN :FLIP amide:sc= -0.458 F(o=-4.6!,f=-0.46) USER MOD Single : B 35 SER OG : rot 72:sc= 0.387 USER MOD Single : B 36 SER OG : rot 180:sc= 0 USER MOD Single : B 38 SER OG : rot -31:sc= -0.114 USER MOD Single : B 40 SER OG : rot 35:sc= 0.101 USER MOD Single : B 41 SER OG : rot 180:sc= 0 USER MOD Single : B 64 THR OG1 : rot -49:sc= 0.126 USER MOD Single : B 66 THR OG1 : rot -87:sc= -2.4! USER MOD Single : B 67 SER OG : rot 13:sc= -4.03! USER MOD Single : B 70 THR OG1 : rot -151:sc= 1.94 USER MOD Single : B 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 46 N SER A 4 -13.601 10.000 -5.343 1.00 0.00 N ATOM 47 CA SER A 4 -14.252 8.721 -5.599 1.00 0.00 C ATOM 48 C SER A 4 -13.284 7.587 -5.329 1.00 0.00 C ATOM 49 O SER A 4 -12.152 7.826 -4.930 1.00 0.00 O ATOM 50 CB SER A 4 -14.721 8.647 -7.047 1.00 0.00 C ATOM 51 OG SER A 4 -15.567 7.528 -7.256 1.00 0.00 O ATOM 0 HA SER A 4 -15.114 8.632 -4.938 1.00 0.00 H new ATOM 0 HB2 SER A 4 -15.253 9.562 -7.307 1.00 0.00 H new ATOM 0 HB3 SER A 4 -13.857 8.582 -7.709 1.00 0.00 H new ATOM 0 HG SER A 4 -15.855 7.506 -8.193 1.00 0.00 H new ATOM 57 N VAL A 5 -13.724 6.356 -5.542 1.00 0.00 N ATOM 58 CA VAL A 5 -12.856 5.210 -5.332 1.00 0.00 C ATOM 59 C VAL A 5 -11.863 5.094 -6.489 1.00 0.00 C ATOM 60 O VAL A 5 -10.653 5.028 -6.277 1.00 0.00 O ATOM 61 CB VAL A 5 -13.655 3.891 -5.175 1.00 0.00 C ATOM 62 CG1 VAL A 5 -15.139 4.174 -4.974 1.00 0.00 C ATOM 63 CG2 VAL A 5 -13.419 2.949 -6.354 1.00 0.00 C ATOM 0 H VAL A 5 -14.667 6.127 -5.857 1.00 0.00 H new ATOM 0 HA VAL A 5 -12.316 5.371 -4.399 1.00 0.00 H new ATOM 0 HB VAL A 5 -13.289 3.385 -4.282 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -15.678 3.233 -4.866 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -15.276 4.775 -4.075 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -15.526 4.717 -5.836 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -13.995 2.035 -6.210 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -13.735 3.435 -7.277 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -12.359 2.704 -6.417 1.00 0.00 H new ATOM 73 N GLY A 6 -12.390 5.081 -7.714 1.00 0.00 N ATOM 74 CA GLY A 6 -11.542 4.976 -8.888 1.00 0.00 C ATOM 75 C GLY A 6 -10.652 6.190 -9.050 1.00 0.00 C ATOM 76 O GLY A 6 -9.467 6.064 -9.362 1.00 0.00 O ATOM 0 H GLY A 6 -13.389 5.141 -7.912 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -10.925 4.081 -8.812 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -12.163 4.860 -9.776 1.00 0.00 H new ATOM 80 N ASP A 7 -11.225 7.370 -8.837 1.00 0.00 N ATOM 81 CA ASP A 7 -10.471 8.613 -8.936 1.00 0.00 C ATOM 82 C ASP A 7 -9.416 8.658 -7.846 1.00 0.00 C ATOM 83 O ASP A 7 -8.311 9.159 -8.052 1.00 0.00 O ATOM 84 CB ASP A 7 -11.400 9.817 -8.799 1.00 0.00 C ATOM 85 CG ASP A 7 -12.415 9.900 -9.921 1.00 0.00 C ATOM 86 OD1 ASP A 7 -13.416 9.153 -9.873 1.00 0.00 O ATOM 87 OD2 ASP A 7 -12.211 10.711 -10.849 1.00 0.00 O ATOM 0 H ASP A 7 -12.208 7.491 -8.595 1.00 0.00 H new ATOM 0 HA ASP A 7 -9.990 8.652 -9.914 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -11.923 9.761 -7.844 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -10.805 10.730 -8.784 1.00 0.00 H new ATOM 92 N ALA A 8 -9.776 8.132 -6.680 1.00 0.00 N ATOM 93 CA ALA A 8 -8.867 8.091 -5.550 1.00 0.00 C ATOM 94 C ALA A 8 -7.565 7.429 -5.955 1.00 0.00 C ATOM 95 O ALA A 8 -6.484 7.838 -5.533 1.00 0.00 O ATOM 96 CB ALA A 8 -9.487 7.325 -4.398 1.00 0.00 C ATOM 0 H ALA A 8 -10.695 7.728 -6.497 1.00 0.00 H new ATOM 0 HA ALA A 8 -8.669 9.114 -5.230 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -8.792 7.304 -3.559 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -10.411 7.814 -4.091 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -9.704 6.305 -4.715 1.00 0.00 H new ATOM 102 N PHE A 9 -7.688 6.395 -6.779 1.00 0.00 N ATOM 103 CA PHE A 9 -6.538 5.658 -7.255 1.00 0.00 C ATOM 104 C PHE A 9 -5.641 6.533 -8.121 1.00 0.00 C ATOM 105 O PHE A 9 -4.498 6.747 -7.777 1.00 0.00 O ATOM 106 CB PHE A 9 -6.982 4.418 -8.010 1.00 0.00 C ATOM 107 CG PHE A 9 -7.098 3.229 -7.115 1.00 0.00 C ATOM 108 CD1 PHE A 9 -6.012 2.405 -6.886 1.00 0.00 C ATOM 109 CD2 PHE A 9 -8.289 2.952 -6.479 1.00 0.00 C ATOM 110 CE1 PHE A 9 -6.115 1.328 -6.033 1.00 0.00 C ATOM 111 CE2 PHE A 9 -8.399 1.873 -5.632 1.00 0.00 C ATOM 112 CZ PHE A 9 -7.313 1.063 -5.404 1.00 0.00 C ATOM 0 H PHE A 9 -8.582 6.051 -7.130 1.00 0.00 H new ATOM 0 HA PHE A 9 -5.953 5.344 -6.390 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -7.944 4.609 -8.486 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -6.269 4.204 -8.806 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -5.074 2.607 -7.381 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -9.145 3.589 -6.647 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -5.259 0.693 -5.857 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -9.340 1.663 -5.146 1.00 0.00 H new ATOM 0 HZ PHE A 9 -7.397 0.221 -4.734 1.00 0.00 H new ATOM 122 N ASP A 10 -6.175 7.108 -9.199 1.00 0.00 N ATOM 123 CA ASP A 10 -5.351 7.933 -10.096 1.00 0.00 C ATOM 124 C ASP A 10 -4.437 8.850 -9.288 1.00 0.00 C ATOM 125 O ASP A 10 -3.274 9.074 -9.642 1.00 0.00 O ATOM 126 CB ASP A 10 -6.242 8.765 -11.022 1.00 0.00 C ATOM 127 CG ASP A 10 -5.438 9.612 -11.988 1.00 0.00 C ATOM 128 OD1 ASP A 10 -5.091 9.105 -13.076 1.00 0.00 O ATOM 129 OD2 ASP A 10 -5.153 10.782 -11.656 1.00 0.00 O ATOM 0 H ASP A 10 -7.154 7.024 -9.473 1.00 0.00 H new ATOM 0 HA ASP A 10 -4.734 7.270 -10.703 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -6.898 8.100 -11.584 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -6.882 9.412 -10.422 1.00 0.00 H new ATOM 134 N LYS A 11 -4.969 9.340 -8.181 1.00 0.00 N ATOM 135 CA LYS A 11 -4.228 10.210 -7.277 1.00 0.00 C ATOM 136 C LYS A 11 -3.180 9.383 -6.545 1.00 0.00 C ATOM 137 O LYS A 11 -1.989 9.690 -6.581 1.00 0.00 O ATOM 138 CB LYS A 11 -5.188 10.860 -6.279 1.00 0.00 C ATOM 139 CG LYS A 11 -4.725 12.214 -5.770 1.00 0.00 C ATOM 140 CD LYS A 11 -3.464 12.087 -4.940 1.00 0.00 C ATOM 141 CE LYS A 11 -2.980 13.442 -4.446 1.00 0.00 C ATOM 142 NZ LYS A 11 -2.713 14.380 -5.571 1.00 0.00 N ATOM 0 H LYS A 11 -5.925 9.148 -7.882 1.00 0.00 H new ATOM 0 HA LYS A 11 -3.734 11.000 -7.843 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -6.164 10.975 -6.751 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -5.322 10.190 -5.430 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -4.542 12.879 -6.614 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -5.514 12.669 -5.170 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -3.653 11.435 -4.088 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -2.682 11.615 -5.535 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -3.728 13.875 -3.782 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -2.071 13.311 -3.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -1.833 14.902 -5.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -2.617 13.842 -6.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -3.502 15.051 -5.658 1.00 0.00 H new ATOM 156 N TYR A 12 -3.648 8.334 -5.877 1.00 0.00 N ATOM 157 CA TYR A 12 -2.778 7.416 -5.158 1.00 0.00 C ATOM 158 C TYR A 12 -1.669 6.943 -6.050 1.00 0.00 C ATOM 159 O TYR A 12 -0.497 7.102 -5.764 1.00 0.00 O ATOM 160 CB TYR A 12 -3.538 6.162 -4.752 1.00 0.00 C ATOM 161 CG TYR A 12 -2.770 5.315 -3.762 1.00 0.00 C ATOM 162 CD1 TYR A 12 -1.953 5.894 -2.794 1.00 0.00 C ATOM 163 CD2 TYR A 12 -2.857 3.934 -3.804 1.00 0.00 C ATOM 164 CE1 TYR A 12 -1.245 5.116 -1.899 1.00 0.00 C ATOM 165 CE2 TYR A 12 -2.154 3.151 -2.912 1.00 0.00 C ATOM 166 CZ TYR A 12 -1.348 3.744 -1.963 1.00 0.00 C ATOM 167 OH TYR A 12 -0.647 2.962 -1.074 1.00 0.00 O ATOM 0 H TYR A 12 -4.639 8.098 -5.820 1.00 0.00 H new ATOM 0 HA TYR A 12 -2.399 7.954 -4.289 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -4.496 6.447 -4.316 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -3.756 5.569 -5.640 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -1.872 6.970 -2.742 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -3.484 3.463 -4.546 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -0.615 5.580 -1.154 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -2.235 2.075 -2.957 1.00 0.00 H new ATOM 0 HH TYR A 12 -0.831 2.016 -1.254 1.00 0.00 H new ATOM 177 N ASN A 13 -2.108 6.404 -7.159 1.00 0.00 N ATOM 178 CA ASN A 13 -1.276 5.812 -8.175 1.00 0.00 C ATOM 179 C ASN A 13 0.019 6.576 -8.362 1.00 0.00 C ATOM 180 O ASN A 13 1.103 6.018 -8.200 1.00 0.00 O ATOM 181 CB ASN A 13 -2.083 5.836 -9.469 1.00 0.00 C ATOM 182 CG ASN A 13 -3.327 4.955 -9.436 1.00 0.00 C ATOM 183 OD1 ASN A 13 -3.730 4.514 -8.246 1.00 0.00 O flip ATOM 184 ND2 ASN A 13 -3.916 4.665 -10.478 1.00 0.00 N flip ATOM 0 H ASN A 13 -3.101 6.364 -7.388 1.00 0.00 H new ATOM 0 HA ASN A 13 -1.001 4.798 -7.885 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -2.382 6.863 -9.681 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -1.443 5.514 -10.291 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -3.577 5.022 -11.372 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -4.742 4.068 -10.447 1.00 0.00 H new ATOM 191 N GLU A 14 -0.087 7.842 -8.691 1.00 0.00 N ATOM 192 CA GLU A 14 1.101 8.656 -8.877 1.00 0.00 C ATOM 193 C GLU A 14 1.900 8.722 -7.567 1.00 0.00 C ATOM 194 O GLU A 14 3.129 8.645 -7.556 1.00 0.00 O ATOM 195 CB GLU A 14 0.685 10.059 -9.336 1.00 0.00 C ATOM 196 CG GLU A 14 0.290 10.979 -8.198 1.00 0.00 C ATOM 197 CD GLU A 14 1.420 11.892 -7.761 1.00 0.00 C ATOM 198 OE1 GLU A 14 1.546 12.996 -8.332 1.00 0.00 O ATOM 199 OE2 GLU A 14 2.178 11.505 -6.846 1.00 0.00 O ATOM 0 H GLU A 14 -0.971 8.330 -8.835 1.00 0.00 H new ATOM 0 HA GLU A 14 1.739 8.211 -9.641 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.509 10.511 -9.888 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -0.152 9.972 -10.029 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -0.562 11.585 -8.506 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -0.036 10.379 -7.348 1.00 0.00 H new ATOM 206 N ALA A 15 1.165 8.794 -6.464 1.00 0.00 N ATOM 207 CA ALA A 15 1.734 8.911 -5.124 1.00 0.00 C ATOM 208 C ALA A 15 2.359 7.629 -4.597 1.00 0.00 C ATOM 209 O ALA A 15 3.349 7.675 -3.867 1.00 0.00 O ATOM 210 CB ALA A 15 0.636 9.342 -4.166 1.00 0.00 C ATOM 0 H ALA A 15 0.145 8.773 -6.473 1.00 0.00 H new ATOM 0 HA ALA A 15 2.538 9.644 -5.192 1.00 0.00 H new ATOM 0 HB1 ALA A 15 1.046 9.434 -3.160 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.234 10.304 -4.483 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -0.160 8.598 -4.167 1.00 0.00 H new ATOM 216 N VAL A 16 1.796 6.486 -4.950 1.00 0.00 N ATOM 217 CA VAL A 16 2.300 5.245 -4.422 1.00 0.00 C ATOM 218 C VAL A 16 3.417 4.701 -5.246 1.00 0.00 C ATOM 219 O VAL A 16 4.434 4.252 -4.716 1.00 0.00 O ATOM 220 CB VAL A 16 1.199 4.195 -4.238 1.00 0.00 C ATOM 221 CG1 VAL A 16 0.176 4.292 -5.347 1.00 0.00 C ATOM 222 CG2 VAL A 16 1.790 2.794 -4.145 1.00 0.00 C ATOM 0 H VAL A 16 1.005 6.398 -5.588 1.00 0.00 H new ATOM 0 HA VAL A 16 2.695 5.478 -3.433 1.00 0.00 H new ATOM 0 HB VAL A 16 0.688 4.397 -3.296 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.596 3.538 -5.197 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.278 5.283 -5.338 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.664 4.125 -6.307 1.00 0.00 H new ATOM 0 HG21 VAL A 16 0.987 2.068 -4.015 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.338 2.569 -5.060 1.00 0.00 H new ATOM 0 HG23 VAL A 16 2.469 2.741 -3.294 1.00 0.00 H new ATOM 232 N ARG A 17 3.232 4.732 -6.538 1.00 0.00 N ATOM 233 CA ARG A 17 4.241 4.230 -7.416 1.00 0.00 C ATOM 234 C ARG A 17 5.559 4.893 -7.147 1.00 0.00 C ATOM 235 O ARG A 17 6.619 4.260 -7.203 1.00 0.00 O ATOM 236 CB ARG A 17 3.795 4.335 -8.860 1.00 0.00 C ATOM 237 CG ARG A 17 2.539 3.528 -9.137 1.00 0.00 C ATOM 238 CD ARG A 17 2.390 2.346 -8.186 1.00 0.00 C ATOM 239 NE ARG A 17 1.095 2.291 -7.582 1.00 0.00 N ATOM 240 CZ ARG A 17 0.809 1.464 -6.623 1.00 0.00 C ATOM 241 NH1 ARG A 17 1.603 0.449 -6.344 1.00 0.00 N ATOM 242 NH2 ARG A 17 -0.290 1.624 -5.961 1.00 0.00 N ATOM 0 H ARG A 17 2.398 5.097 -6.998 1.00 0.00 H new ATOM 0 HA ARG A 17 4.391 3.168 -7.220 1.00 0.00 H new ATOM 0 HB2 ARG A 17 3.613 5.381 -9.106 1.00 0.00 H new ATOM 0 HB3 ARG A 17 4.597 3.989 -9.512 1.00 0.00 H new ATOM 0 HG2 ARG A 17 1.667 4.175 -9.048 1.00 0.00 H new ATOM 0 HG3 ARG A 17 2.562 3.164 -10.164 1.00 0.00 H new ATOM 0 HD2 ARG A 17 2.573 1.420 -8.731 1.00 0.00 H new ATOM 0 HD3 ARG A 17 3.149 2.413 -7.406 1.00 0.00 H new ATOM 0 HE ARG A 17 0.369 2.925 -7.917 1.00 0.00 H new ATOM 0 HH11 ARG A 17 2.456 0.305 -6.885 1.00 0.00 H new ATOM 0 HH12 ARG A 17 1.364 -0.192 -5.587 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -0.919 2.392 -6.195 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -0.528 0.982 -5.205 1.00 0.00 H new ATOM 256 N VAL A 18 5.504 6.144 -6.792 1.00 0.00 N ATOM 257 CA VAL A 18 6.713 6.837 -6.490 1.00 0.00 C ATOM 258 C VAL A 18 7.226 6.417 -5.121 1.00 0.00 C ATOM 259 O VAL A 18 8.412 6.224 -4.946 1.00 0.00 O ATOM 260 CB VAL A 18 6.513 8.358 -6.536 1.00 0.00 C ATOM 261 CG1 VAL A 18 5.942 8.753 -7.887 1.00 0.00 C ATOM 262 CG2 VAL A 18 5.604 8.817 -5.402 1.00 0.00 C ATOM 0 H VAL A 18 4.649 6.694 -6.707 1.00 0.00 H new ATOM 0 HA VAL A 18 7.451 6.574 -7.248 1.00 0.00 H new ATOM 0 HB VAL A 18 7.477 8.850 -6.404 1.00 0.00 H new ATOM 0 HG11 VAL A 18 5.800 9.833 -7.920 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.632 8.454 -8.675 1.00 0.00 H new ATOM 0 HG13 VAL A 18 4.983 8.256 -8.036 1.00 0.00 H new ATOM 0 HG21 VAL A 18 5.476 9.898 -5.453 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.633 8.331 -5.495 1.00 0.00 H new ATOM 0 HG23 VAL A 18 6.053 8.550 -4.445 1.00 0.00 H new ATOM 272 N PHE A 19 6.319 6.183 -4.174 1.00 0.00 N ATOM 273 CA PHE A 19 6.723 5.849 -2.819 1.00 0.00 C ATOM 274 C PHE A 19 7.399 4.467 -2.682 1.00 0.00 C ATOM 275 O PHE A 19 8.482 4.364 -2.076 1.00 0.00 O ATOM 276 CB PHE A 19 5.530 6.092 -1.844 1.00 0.00 C ATOM 277 CG PHE A 19 4.607 4.937 -1.491 1.00 0.00 C ATOM 278 CD1 PHE A 19 5.080 3.689 -1.167 1.00 0.00 C ATOM 279 CD2 PHE A 19 3.241 5.143 -1.453 1.00 0.00 C ATOM 280 CE1 PHE A 19 4.218 2.664 -0.834 1.00 0.00 C ATOM 281 CE2 PHE A 19 2.370 4.125 -1.124 1.00 0.00 C ATOM 282 CZ PHE A 19 2.861 2.880 -0.818 1.00 0.00 C ATOM 0 H PHE A 19 5.310 6.219 -4.322 1.00 0.00 H new ATOM 0 HA PHE A 19 7.527 6.525 -2.528 1.00 0.00 H new ATOM 0 HB2 PHE A 19 5.943 6.477 -0.912 1.00 0.00 H new ATOM 0 HB3 PHE A 19 4.915 6.884 -2.271 1.00 0.00 H new ATOM 0 HD1 PHE A 19 6.144 3.507 -1.173 1.00 0.00 H new ATOM 0 HD2 PHE A 19 2.847 6.121 -1.686 1.00 0.00 H new ATOM 0 HE1 PHE A 19 4.611 1.689 -0.585 1.00 0.00 H new ATOM 0 HE2 PHE A 19 1.306 4.307 -1.107 1.00 0.00 H new ATOM 0 HZ PHE A 19 2.185 2.076 -0.566 1.00 0.00 H new ATOM 292 N THR A 20 6.845 3.400 -3.266 1.00 0.00 N ATOM 293 CA THR A 20 7.480 2.108 -3.065 1.00 0.00 C ATOM 294 C THR A 20 8.726 1.935 -3.900 1.00 0.00 C ATOM 295 O THR A 20 9.758 1.554 -3.371 1.00 0.00 O ATOM 296 CB THR A 20 6.581 0.894 -3.299 1.00 0.00 C ATOM 297 OG1 THR A 20 5.361 1.017 -2.580 1.00 0.00 O ATOM 298 CG2 THR A 20 7.317 -0.351 -2.873 1.00 0.00 C ATOM 0 H THR A 20 6.007 3.404 -3.848 1.00 0.00 H new ATOM 0 HA THR A 20 7.731 2.133 -2.005 1.00 0.00 H new ATOM 0 HB THR A 20 6.336 0.832 -4.359 1.00 0.00 H new ATOM 0 HG1 THR A 20 5.362 1.858 -2.076 1.00 0.00 H new ATOM 0 HG21 THR A 20 6.683 -1.222 -3.036 1.00 0.00 H new ATOM 0 HG22 THR A 20 8.231 -0.452 -3.459 1.00 0.00 H new ATOM 0 HG23 THR A 20 7.570 -0.280 -1.815 1.00 0.00 H new ATOM 306 N GLN A 21 8.671 2.196 -5.198 1.00 0.00 N ATOM 307 CA GLN A 21 9.866 2.007 -5.981 1.00 0.00 C ATOM 308 C GLN A 21 10.957 2.914 -5.473 1.00 0.00 C ATOM 309 O GLN A 21 12.127 2.718 -5.776 1.00 0.00 O ATOM 310 CB GLN A 21 9.614 2.179 -7.459 1.00 0.00 C ATOM 311 CG GLN A 21 9.555 0.842 -8.198 1.00 0.00 C ATOM 312 CD GLN A 21 8.701 -0.216 -7.506 1.00 0.00 C ATOM 313 OE1 GLN A 21 7.602 -0.518 -7.952 1.00 0.00 O ATOM 314 NE2 GLN A 21 9.198 -0.801 -6.416 1.00 0.00 N ATOM 0 H GLN A 21 7.849 2.524 -5.706 1.00 0.00 H new ATOM 0 HA GLN A 21 10.197 0.976 -5.861 1.00 0.00 H new ATOM 0 HB2 GLN A 21 8.676 2.714 -7.605 1.00 0.00 H new ATOM 0 HB3 GLN A 21 10.403 2.795 -7.890 1.00 0.00 H new ATOM 0 HG2 GLN A 21 9.163 1.011 -9.201 1.00 0.00 H new ATOM 0 HG3 GLN A 21 10.568 0.457 -8.312 1.00 0.00 H new ATOM 0 HE21 GLN A 21 10.117 -0.530 -6.066 1.00 0.00 H new ATOM 0 HE22 GLN A 21 8.659 -1.520 -5.932 1.00 0.00 H new ATOM 323 N LEU A 22 10.578 3.918 -4.691 1.00 0.00 N ATOM 324 CA LEU A 22 11.575 4.769 -4.089 1.00 0.00 C ATOM 325 C LEU A 22 12.453 3.858 -3.257 1.00 0.00 C ATOM 326 O LEU A 22 13.672 3.995 -3.234 1.00 0.00 O ATOM 327 CB LEU A 22 10.945 5.862 -3.218 1.00 0.00 C ATOM 328 CG LEU A 22 10.639 7.203 -3.915 1.00 0.00 C ATOM 329 CD1 LEU A 22 11.383 8.334 -3.229 1.00 0.00 C ATOM 330 CD2 LEU A 22 10.966 7.175 -5.410 1.00 0.00 C ATOM 0 H LEU A 22 9.611 4.153 -4.468 1.00 0.00 H new ATOM 0 HA LEU A 22 12.147 5.293 -4.855 1.00 0.00 H new ATOM 0 HB2 LEU A 22 10.016 5.474 -2.802 1.00 0.00 H new ATOM 0 HB3 LEU A 22 11.613 6.058 -2.379 1.00 0.00 H new ATOM 0 HG LEU A 22 9.566 7.373 -3.829 1.00 0.00 H new ATOM 0 HD11 LEU A 22 11.158 9.275 -3.731 1.00 0.00 H new ATOM 0 HD12 LEU A 22 11.071 8.395 -2.187 1.00 0.00 H new ATOM 0 HD13 LEU A 22 12.455 8.145 -3.276 1.00 0.00 H new ATOM 0 HD21 LEU A 22 10.732 8.144 -5.852 1.00 0.00 H new ATOM 0 HD22 LEU A 22 12.026 6.960 -5.547 1.00 0.00 H new ATOM 0 HD23 LEU A 22 10.373 6.401 -5.898 1.00 0.00 H new ATOM 342 N SER A 23 11.798 2.917 -2.573 1.00 0.00 N ATOM 343 CA SER A 23 12.500 1.916 -1.777 1.00 0.00 C ATOM 344 C SER A 23 13.306 0.938 -2.659 1.00 0.00 C ATOM 345 O SER A 23 14.519 0.803 -2.500 1.00 0.00 O ATOM 346 CB SER A 23 11.486 1.114 -0.974 1.00 0.00 C ATOM 347 OG SER A 23 10.769 0.255 -1.833 1.00 0.00 O ATOM 0 H SER A 23 10.782 2.830 -2.556 1.00 0.00 H new ATOM 0 HA SER A 23 13.195 2.443 -1.123 1.00 0.00 H new ATOM 0 HB2 SER A 23 11.995 0.533 -0.205 1.00 0.00 H new ATOM 0 HB3 SER A 23 10.799 1.788 -0.462 1.00 0.00 H new ATOM 0 HG SER A 23 10.077 0.765 -2.303 1.00 0.00 H new ATOM 353 N SER A 24 12.619 0.236 -3.569 1.00 0.00 N ATOM 354 CA SER A 24 13.272 -0.743 -4.444 1.00 0.00 C ATOM 355 C SER A 24 14.333 -0.103 -5.318 1.00 0.00 C ATOM 356 O SER A 24 15.506 -0.473 -5.251 1.00 0.00 O ATOM 357 CB SER A 24 12.251 -1.452 -5.335 1.00 0.00 C ATOM 358 OG SER A 24 11.941 -0.679 -6.481 1.00 0.00 O ATOM 0 H SER A 24 11.614 0.328 -3.718 1.00 0.00 H new ATOM 0 HA SER A 24 13.752 -1.471 -3.790 1.00 0.00 H new ATOM 0 HB2 SER A 24 12.645 -2.421 -5.643 1.00 0.00 H new ATOM 0 HB3 SER A 24 11.341 -1.644 -4.767 1.00 0.00 H new ATOM 0 HG SER A 24 11.709 -1.274 -7.224 1.00 0.00 H new ATOM 364 N ALA A 25 13.912 0.849 -6.144 1.00 0.00 N ATOM 365 CA ALA A 25 14.824 1.538 -7.034 1.00 0.00 C ATOM 366 C ALA A 25 16.029 2.013 -6.243 1.00 0.00 C ATOM 367 O ALA A 25 17.148 2.048 -6.750 1.00 0.00 O ATOM 368 CB ALA A 25 14.118 2.702 -7.729 1.00 0.00 C ATOM 0 H ALA A 25 12.942 1.158 -6.212 1.00 0.00 H new ATOM 0 HA ALA A 25 15.164 0.854 -7.812 1.00 0.00 H new ATOM 0 HB1 ALA A 25 14.818 3.208 -8.394 1.00 0.00 H new ATOM 0 HB2 ALA A 25 13.277 2.323 -8.309 1.00 0.00 H new ATOM 0 HB3 ALA A 25 13.755 3.406 -6.981 1.00 0.00 H new ATOM 374 N ALA A 26 15.789 2.338 -4.977 1.00 0.00 N ATOM 375 CA ALA A 26 16.850 2.801 -4.091 1.00 0.00 C ATOM 376 C ALA A 26 17.955 1.762 -3.951 1.00 0.00 C ATOM 377 O ALA A 26 19.136 2.111 -3.981 1.00 0.00 O ATOM 378 CB ALA A 26 16.301 3.169 -2.717 1.00 0.00 C ATOM 0 H ALA A 26 14.868 2.289 -4.541 1.00 0.00 H new ATOM 0 HA ALA A 26 17.277 3.695 -4.545 1.00 0.00 H new ATOM 0 HB1 ALA A 26 17.116 3.511 -2.079 1.00 0.00 H new ATOM 0 HB2 ALA A 26 15.564 3.965 -2.821 1.00 0.00 H new ATOM 0 HB3 ALA A 26 15.830 2.295 -2.267 1.00 0.00 H new ATOM 384 N ASN A 27 17.588 0.483 -3.805 1.00 0.00 N ATOM 385 CA ASN A 27 18.607 -0.557 -3.654 1.00 0.00 C ATOM 386 C ASN A 27 18.061 -1.990 -3.687 1.00 0.00 C ATOM 387 O ASN A 27 18.783 -2.902 -4.094 1.00 0.00 O ATOM 388 CB ASN A 27 19.379 -0.344 -2.349 1.00 0.00 C ATOM 389 CG ASN A 27 18.530 -0.575 -1.108 1.00 0.00 C ATOM 390 OD1 ASN A 27 17.225 -0.348 -1.219 1.00 0.00 O flip ATOM 391 ND2 ASN A 27 19.046 -0.960 -0.058 1.00 0.00 N flip ATOM 0 H ASN A 27 16.623 0.152 -3.789 1.00 0.00 H new ATOM 0 HA ASN A 27 19.260 -0.456 -4.521 1.00 0.00 H new ATOM 0 HB2 ASN A 27 20.235 -1.018 -2.326 1.00 0.00 H new ATOM 0 HB3 ASN A 27 19.773 0.672 -2.329 1.00 0.00 H new ATOM 0 HD21 ASN A 27 20.052 -1.123 -0.014 1.00 0.00 H new ATOM 0 HD22 ASN A 27 18.467 -1.116 0.767 1.00 0.00 H new ATOM 398 N CYS A 28 16.807 -2.210 -3.278 1.00 0.00 N ATOM 399 CA CYS A 28 16.271 -3.575 -3.246 1.00 0.00 C ATOM 400 C CYS A 28 14.802 -3.627 -2.831 1.00 0.00 C ATOM 401 O CYS A 28 14.263 -2.667 -2.307 1.00 0.00 O ATOM 402 CB CYS A 28 17.108 -4.405 -2.264 1.00 0.00 C ATOM 403 SG CYS A 28 16.218 -5.748 -1.422 1.00 0.00 S ATOM 0 H CYS A 28 16.160 -1.483 -2.972 1.00 0.00 H new ATOM 0 HA CYS A 28 16.329 -3.979 -4.257 1.00 0.00 H new ATOM 0 HB2 CYS A 28 17.952 -4.834 -2.805 1.00 0.00 H new ATOM 0 HB3 CYS A 28 17.520 -3.736 -1.509 1.00 0.00 H new ATOM 408 N ASP A 29 14.169 -4.770 -3.091 1.00 0.00 N ATOM 409 CA ASP A 29 12.768 -5.004 -2.730 1.00 0.00 C ATOM 410 C ASP A 29 12.651 -6.179 -1.753 1.00 0.00 C ATOM 411 O ASP A 29 13.485 -7.084 -1.783 1.00 0.00 O ATOM 412 CB ASP A 29 11.950 -5.313 -3.986 1.00 0.00 C ATOM 413 CG ASP A 29 12.763 -6.041 -5.039 1.00 0.00 C ATOM 414 OD1 ASP A 29 13.445 -5.364 -5.837 1.00 0.00 O ATOM 415 OD2 ASP A 29 12.716 -7.289 -5.066 1.00 0.00 O ATOM 0 H ASP A 29 14.612 -5.561 -3.558 1.00 0.00 H new ATOM 0 HA ASP A 29 12.384 -4.103 -2.252 1.00 0.00 H new ATOM 0 HB2 ASP A 29 11.086 -5.919 -3.714 1.00 0.00 H new ATOM 0 HB3 ASP A 29 11.567 -4.383 -4.405 1.00 0.00 H new ATOM 420 N TRP A 30 11.625 -6.181 -0.885 1.00 0.00 N ATOM 421 CA TRP A 30 11.465 -7.300 0.044 1.00 0.00 C ATOM 422 C TRP A 30 11.059 -8.530 -0.759 1.00 0.00 C ATOM 423 O TRP A 30 11.618 -9.613 -0.580 1.00 0.00 O ATOM 424 CB TRP A 30 10.461 -7.008 1.195 1.00 0.00 C ATOM 425 CG TRP A 30 9.141 -6.472 0.779 1.00 0.00 C ATOM 426 CD1 TRP A 30 8.169 -7.065 0.034 1.00 0.00 C ATOM 427 CD2 TRP A 30 8.648 -5.201 1.147 1.00 0.00 C ATOM 428 NE1 TRP A 30 7.120 -6.193 -0.134 1.00 0.00 N ATOM 429 CE2 TRP A 30 7.405 -5.036 0.546 1.00 0.00 C ATOM 430 CE3 TRP A 30 9.172 -4.170 1.912 1.00 0.00 C ATOM 431 CZ2 TRP A 30 6.676 -3.869 0.691 1.00 0.00 C ATOM 432 CZ3 TRP A 30 8.453 -3.019 2.063 1.00 0.00 C ATOM 433 CH2 TRP A 30 7.221 -2.866 1.454 1.00 0.00 C ATOM 0 H TRP A 30 10.921 -5.447 -0.811 1.00 0.00 H new ATOM 0 HA TRP A 30 12.418 -7.473 0.544 1.00 0.00 H new ATOM 0 HB2 TRP A 30 10.298 -7.930 1.753 1.00 0.00 H new ATOM 0 HB3 TRP A 30 10.921 -6.297 1.882 1.00 0.00 H new ATOM 0 HD1 TRP A 30 8.215 -8.068 -0.364 1.00 0.00 H new ATOM 0 HE1 TRP A 30 6.273 -6.375 -0.673 1.00 0.00 H new ATOM 0 HE3 TRP A 30 10.138 -4.276 2.383 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 5.711 -3.751 0.220 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 8.852 -2.217 2.666 1.00 0.00 H new ATOM 0 HH2 TRP A 30 6.678 -1.941 1.581 1.00 0.00 H new ATOM 444 N ALA A 31 10.101 -8.323 -1.670 1.00 0.00 N ATOM 445 CA ALA A 31 9.603 -9.361 -2.572 1.00 0.00 C ATOM 446 C ALA A 31 8.795 -10.430 -1.840 1.00 0.00 C ATOM 447 O ALA A 31 7.738 -10.859 -2.301 1.00 0.00 O ATOM 448 CB ALA A 31 10.766 -9.986 -3.318 1.00 0.00 C ATOM 0 H ALA A 31 9.647 -7.419 -1.801 1.00 0.00 H new ATOM 0 HA ALA A 31 8.924 -8.888 -3.282 1.00 0.00 H new ATOM 0 HB1 ALA A 31 10.394 -10.759 -3.990 1.00 0.00 H new ATOM 0 HB2 ALA A 31 11.281 -9.219 -3.897 1.00 0.00 H new ATOM 0 HB3 ALA A 31 11.460 -10.429 -2.604 1.00 0.00 H new ATOM 454 N ALA A 32 9.300 -10.855 -0.701 1.00 0.00 N ATOM 455 CA ALA A 32 8.635 -11.877 0.093 1.00 0.00 C ATOM 456 C ALA A 32 7.353 -11.341 0.720 1.00 0.00 C ATOM 457 O ALA A 32 6.317 -12.012 0.721 1.00 0.00 O ATOM 458 CB ALA A 32 9.573 -12.401 1.169 1.00 0.00 C ATOM 0 H ALA A 32 10.172 -10.510 -0.300 1.00 0.00 H new ATOM 0 HA ALA A 32 8.365 -12.698 -0.571 1.00 0.00 H new ATOM 0 HB1 ALA A 32 9.063 -13.165 1.756 1.00 0.00 H new ATOM 0 HB2 ALA A 32 10.458 -12.833 0.701 1.00 0.00 H new ATOM 0 HB3 ALA A 32 9.872 -11.581 1.822 1.00 0.00 H new ATOM 464 N CYS A 33 7.424 -10.121 1.240 1.00 0.00 N ATOM 465 CA CYS A 33 6.271 -9.510 1.883 1.00 0.00 C ATOM 466 C CYS A 33 5.162 -9.210 0.894 1.00 0.00 C ATOM 467 O CYS A 33 4.011 -9.516 1.149 1.00 0.00 O ATOM 468 CB CYS A 33 6.659 -8.229 2.604 1.00 0.00 C ATOM 469 SG CYS A 33 6.076 -8.166 4.334 1.00 0.00 S ATOM 0 H CYS A 33 8.262 -9.540 1.229 1.00 0.00 H new ATOM 0 HA CYS A 33 5.901 -10.235 2.608 1.00 0.00 H new ATOM 0 HB2 CYS A 33 7.744 -8.127 2.590 1.00 0.00 H new ATOM 0 HB3 CYS A 33 6.252 -7.377 2.060 1.00 0.00 H new ATOM 474 N LEU A 34 5.488 -8.607 -0.231 1.00 0.00 N ATOM 475 CA LEU A 34 4.457 -8.288 -1.199 1.00 0.00 C ATOM 476 C LEU A 34 3.646 -9.524 -1.531 1.00 0.00 C ATOM 477 O LEU A 34 2.432 -9.449 -1.710 1.00 0.00 O ATOM 478 CB LEU A 34 5.046 -7.653 -2.441 1.00 0.00 C ATOM 479 CG LEU A 34 6.396 -8.209 -2.853 1.00 0.00 C ATOM 480 CD1 LEU A 34 6.224 -9.215 -3.971 1.00 0.00 C ATOM 481 CD2 LEU A 34 7.319 -7.091 -3.275 1.00 0.00 C ATOM 0 H LEU A 34 6.435 -8.333 -0.495 1.00 0.00 H new ATOM 0 HA LEU A 34 3.784 -7.554 -0.756 1.00 0.00 H new ATOM 0 HB2 LEU A 34 4.346 -7.783 -3.267 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.145 -6.581 -2.273 1.00 0.00 H new ATOM 0 HG LEU A 34 6.845 -8.715 -1.999 1.00 0.00 H new ATOM 0 HD11 LEU A 34 7.199 -9.608 -4.260 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.589 -10.033 -3.630 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.760 -8.729 -4.829 1.00 0.00 H new ATOM 0 HD21 LEU A 34 8.283 -7.506 -3.568 1.00 0.00 H new ATOM 0 HD22 LEU A 34 6.882 -6.558 -4.119 1.00 0.00 H new ATOM 0 HD23 LEU A 34 7.459 -6.401 -2.443 1.00 0.00 H new ATOM 493 N SER A 35 4.313 -10.667 -1.610 1.00 0.00 N ATOM 494 CA SER A 35 3.609 -11.911 -1.856 1.00 0.00 C ATOM 495 C SER A 35 2.543 -12.072 -0.779 1.00 0.00 C ATOM 496 O SER A 35 1.436 -12.534 -1.039 1.00 0.00 O ATOM 497 CB SER A 35 4.577 -13.092 -1.812 1.00 0.00 C ATOM 498 OG SER A 35 5.606 -12.946 -2.775 1.00 0.00 O ATOM 0 H SER A 35 5.324 -10.756 -1.509 1.00 0.00 H new ATOM 0 HA SER A 35 3.151 -11.888 -2.845 1.00 0.00 H new ATOM 0 HB2 SER A 35 5.015 -13.170 -0.817 1.00 0.00 H new ATOM 0 HB3 SER A 35 4.033 -14.019 -1.995 1.00 0.00 H new ATOM 0 HG SER A 35 6.229 -12.248 -2.485 1.00 0.00 H new ATOM 504 N SER A 36 2.914 -11.659 0.432 1.00 0.00 N ATOM 505 CA SER A 36 2.031 -11.712 1.604 1.00 0.00 C ATOM 506 C SER A 36 0.665 -11.061 1.332 1.00 0.00 C ATOM 507 O SER A 36 -0.368 -11.612 1.710 1.00 0.00 O ATOM 508 CB SER A 36 2.713 -11.037 2.799 1.00 0.00 C ATOM 509 OG SER A 36 2.320 -11.635 4.022 1.00 0.00 O ATOM 0 H SER A 36 3.838 -11.276 0.632 1.00 0.00 H new ATOM 0 HA SER A 36 1.847 -12.762 1.832 1.00 0.00 H new ATOM 0 HB2 SER A 36 3.795 -11.106 2.689 1.00 0.00 H new ATOM 0 HB3 SER A 36 2.461 -9.977 2.813 1.00 0.00 H new ATOM 0 HG SER A 36 2.772 -11.185 4.766 1.00 0.00 H new ATOM 515 N LEU A 37 0.648 -9.883 0.697 1.00 0.00 N ATOM 516 CA LEU A 37 -0.627 -9.219 0.380 1.00 0.00 C ATOM 517 C LEU A 37 -1.302 -10.037 -0.685 1.00 0.00 C ATOM 518 O LEU A 37 -2.481 -10.363 -0.596 1.00 0.00 O ATOM 519 CB LEU A 37 -0.457 -7.777 -0.126 1.00 0.00 C ATOM 520 CG LEU A 37 -1.677 -7.215 -0.862 1.00 0.00 C ATOM 521 CD1 LEU A 37 -2.847 -7.048 0.092 1.00 0.00 C ATOM 522 CD2 LEU A 37 -1.352 -5.905 -1.559 1.00 0.00 C ATOM 0 H LEU A 37 1.481 -9.377 0.397 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.215 -9.155 1.296 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.231 -7.132 0.723 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.404 -7.739 -0.793 1.00 0.00 H new ATOM 0 HG LEU A 37 -1.962 -7.932 -1.632 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.704 -6.648 -0.450 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.108 -8.016 0.520 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.570 -6.361 0.891 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.240 -5.535 -2.071 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.026 -5.171 -0.821 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.556 -6.067 -2.285 1.00 0.00 H new ATOM 534 N SER A 38 -0.521 -10.364 -1.702 1.00 0.00 N ATOM 535 CA SER A 38 -0.989 -11.186 -2.792 1.00 0.00 C ATOM 536 C SER A 38 -1.114 -12.632 -2.313 1.00 0.00 C ATOM 537 O SER A 38 -1.197 -13.558 -3.113 1.00 0.00 O ATOM 538 CB SER A 38 -0.025 -11.088 -3.975 1.00 0.00 C ATOM 539 OG SER A 38 1.006 -12.055 -3.877 1.00 0.00 O ATOM 0 H SER A 38 0.450 -10.066 -1.790 1.00 0.00 H new ATOM 0 HA SER A 38 -1.967 -10.836 -3.123 1.00 0.00 H new ATOM 0 HB2 SER A 38 -0.573 -11.230 -4.907 1.00 0.00 H new ATOM 0 HB3 SER A 38 0.411 -10.090 -4.010 1.00 0.00 H new ATOM 0 HG SER A 38 1.186 -12.247 -2.933 1.00 0.00 H new ATOM 545 N ALA A 39 -1.088 -12.811 -0.989 1.00 0.00 N ATOM 546 CA ALA A 39 -1.216 -14.127 -0.373 1.00 0.00 C ATOM 547 C ALA A 39 -2.528 -14.221 0.396 1.00 0.00 C ATOM 548 O ALA A 39 -3.339 -15.102 0.116 1.00 0.00 O ATOM 549 CB ALA A 39 -0.036 -14.408 0.546 1.00 0.00 C ATOM 0 H ALA A 39 -0.978 -12.049 -0.320 1.00 0.00 H new ATOM 0 HA ALA A 39 -1.218 -14.880 -1.161 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -0.151 -15.394 0.995 1.00 0.00 H new ATOM 0 HB2 ALA A 39 0.889 -14.377 -0.030 1.00 0.00 H new ATOM 0 HB3 ALA A 39 0.001 -13.654 1.332 1.00 0.00 H new ATOM 555 N SER A 40 -2.702 -13.304 1.372 1.00 0.00 N ATOM 556 CA SER A 40 -3.918 -13.210 2.207 1.00 0.00 C ATOM 557 C SER A 40 -3.600 -12.804 3.641 1.00 0.00 C ATOM 558 O SER A 40 -2.769 -13.424 4.306 1.00 0.00 O ATOM 559 CB SER A 40 -4.705 -14.525 2.253 1.00 0.00 C ATOM 560 OG SER A 40 -3.914 -15.577 2.774 1.00 0.00 O ATOM 0 H SER A 40 -1.998 -12.604 1.604 1.00 0.00 H new ATOM 0 HA SER A 40 -4.526 -12.441 1.730 1.00 0.00 H new ATOM 0 HB2 SER A 40 -5.596 -14.397 2.868 1.00 0.00 H new ATOM 0 HB3 SER A 40 -5.044 -14.784 1.250 1.00 0.00 H new ATOM 0 HG SER A 40 -3.235 -15.208 3.377 1.00 0.00 H new ATOM 566 N SER A 41 -4.268 -11.752 4.105 1.00 0.00 N ATOM 567 CA SER A 41 -4.118 -11.286 5.476 1.00 0.00 C ATOM 568 C SER A 41 -5.495 -11.161 6.092 1.00 0.00 C ATOM 569 O SER A 41 -6.418 -10.647 5.466 1.00 0.00 O ATOM 570 CB SER A 41 -3.397 -9.940 5.557 1.00 0.00 C ATOM 571 OG SER A 41 -2.647 -9.834 6.755 1.00 0.00 O ATOM 0 H SER A 41 -4.922 -11.204 3.546 1.00 0.00 H new ATOM 0 HA SER A 41 -3.509 -12.009 6.018 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.735 -9.826 4.699 1.00 0.00 H new ATOM 0 HB3 SER A 41 -4.125 -9.130 5.507 1.00 0.00 H new ATOM 0 HG SER A 41 -2.194 -8.965 6.782 1.00 0.00 H new ATOM 577 N ALA A 42 -5.626 -11.624 7.320 1.00 0.00 N ATOM 578 CA ALA A 42 -6.903 -11.579 8.025 1.00 0.00 C ATOM 579 C ALA A 42 -7.413 -10.151 8.132 1.00 0.00 C ATOM 580 O ALA A 42 -8.554 -9.908 8.530 1.00 0.00 O ATOM 581 CB ALA A 42 -6.758 -12.191 9.408 1.00 0.00 C ATOM 0 H ALA A 42 -4.864 -12.038 7.856 1.00 0.00 H new ATOM 0 HA ALA A 42 -7.630 -12.158 7.455 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -7.717 -12.152 9.925 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -6.438 -13.229 9.315 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -6.016 -11.632 9.977 1.00 0.00 H new ATOM 587 N ALA A 43 -6.559 -9.214 7.754 1.00 0.00 N ATOM 588 CA ALA A 43 -6.879 -7.804 7.832 1.00 0.00 C ATOM 589 C ALA A 43 -7.578 -7.281 6.589 1.00 0.00 C ATOM 590 O ALA A 43 -8.698 -6.795 6.681 1.00 0.00 O ATOM 591 CB ALA A 43 -5.607 -7.017 8.107 1.00 0.00 C ATOM 0 H ALA A 43 -5.628 -9.412 7.386 1.00 0.00 H new ATOM 0 HA ALA A 43 -7.586 -7.671 8.651 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.842 -5.954 8.167 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -5.172 -7.346 9.051 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -4.893 -7.186 7.301 1.00 0.00 H new ATOM 597 N CYS A 44 -6.928 -7.380 5.437 1.00 0.00 N ATOM 598 CA CYS A 44 -7.502 -6.872 4.194 1.00 0.00 C ATOM 599 C CYS A 44 -8.994 -7.169 4.075 1.00 0.00 C ATOM 600 O CYS A 44 -9.759 -6.374 3.525 1.00 0.00 O ATOM 601 CB CYS A 44 -6.738 -7.413 2.990 1.00 0.00 C ATOM 602 SG CYS A 44 -5.599 -8.786 3.358 1.00 0.00 S ATOM 0 H CYS A 44 -6.006 -7.805 5.335 1.00 0.00 H new ATOM 0 HA CYS A 44 -7.401 -5.787 4.214 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -7.457 -7.747 2.242 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -6.169 -6.598 2.543 1.00 0.00 H new ATOM 607 N ILE A 45 -9.408 -8.309 4.593 1.00 0.00 N ATOM 608 CA ILE A 45 -10.810 -8.688 4.551 1.00 0.00 C ATOM 609 C ILE A 45 -11.576 -8.049 5.706 1.00 0.00 C ATOM 610 O ILE A 45 -12.647 -7.425 5.526 1.00 0.00 O ATOM 611 CB ILE A 45 -10.991 -10.216 4.572 1.00 0.00 C ATOM 612 CG1 ILE A 45 -9.687 -10.916 4.184 1.00 0.00 C ATOM 613 CG2 ILE A 45 -12.108 -10.621 3.623 1.00 0.00 C ATOM 614 CD1 ILE A 45 -9.057 -11.695 5.318 1.00 0.00 C ATOM 0 H ILE A 45 -8.797 -8.988 5.047 1.00 0.00 H new ATOM 0 HA ILE A 45 -11.217 -8.319 3.610 1.00 0.00 H new ATOM 0 HB ILE A 45 -11.258 -10.521 5.584 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -9.882 -11.594 3.353 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -8.976 -10.170 3.828 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -12.229 -11.704 3.644 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -13.039 -10.146 3.933 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -11.858 -10.304 2.611 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -8.137 -12.164 4.970 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -8.830 -11.019 6.142 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -9.750 -12.464 5.660 1.00 0.00 H new ATOM 626 N ALA A 46 -10.999 -8.156 6.900 1.00 0.00 N ATOM 627 CA ALA A 46 -11.635 -7.560 8.068 1.00 0.00 C ATOM 628 C ALA A 46 -11.777 -6.081 7.773 1.00 0.00 C ATOM 629 O ALA A 46 -12.577 -5.342 8.360 1.00 0.00 O ATOM 630 CB ALA A 46 -10.806 -7.798 9.322 1.00 0.00 C ATOM 0 H ALA A 46 -10.117 -8.636 7.081 1.00 0.00 H new ATOM 0 HA ALA A 46 -12.609 -8.011 8.257 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -11.303 -7.343 10.179 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.701 -8.870 9.491 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -9.819 -7.352 9.196 1.00 0.00 H new ATOM 636 N ALA A 47 -10.987 -5.695 6.793 1.00 0.00 N ATOM 637 CA ALA A 47 -10.925 -4.351 6.307 1.00 0.00 C ATOM 638 C ALA A 47 -12.178 -3.998 5.534 1.00 0.00 C ATOM 639 O ALA A 47 -12.772 -2.947 5.767 1.00 0.00 O ATOM 640 CB ALA A 47 -9.713 -4.214 5.418 1.00 0.00 C ATOM 0 H ALA A 47 -10.357 -6.332 6.306 1.00 0.00 H new ATOM 0 HA ALA A 47 -10.849 -3.667 7.152 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -9.653 -3.194 5.040 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -8.814 -4.442 5.991 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -9.796 -4.907 4.581 1.00 0.00 H new ATOM 646 N VAL A 48 -12.586 -4.880 4.617 1.00 0.00 N ATOM 647 CA VAL A 48 -13.775 -4.621 3.807 1.00 0.00 C ATOM 648 C VAL A 48 -14.862 -4.032 4.667 1.00 0.00 C ATOM 649 O VAL A 48 -15.628 -3.174 4.233 1.00 0.00 O ATOM 650 CB VAL A 48 -14.345 -5.895 3.155 1.00 0.00 C ATOM 651 CG1 VAL A 48 -15.320 -5.535 2.045 1.00 0.00 C ATOM 652 CG2 VAL A 48 -13.242 -6.799 2.634 1.00 0.00 C ATOM 0 H VAL A 48 -12.118 -5.765 4.420 1.00 0.00 H new ATOM 0 HA VAL A 48 -13.463 -3.934 3.020 1.00 0.00 H new ATOM 0 HB VAL A 48 -14.884 -6.449 3.924 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -15.713 -6.447 1.596 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -16.142 -4.951 2.458 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -14.805 -4.949 1.284 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -13.683 -7.687 2.181 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -12.655 -6.264 1.887 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -12.595 -7.096 3.459 1.00 0.00 H new ATOM 662 N GLY A 49 -14.928 -4.514 5.889 1.00 0.00 N ATOM 663 CA GLY A 49 -15.938 -4.023 6.812 1.00 0.00 C ATOM 664 C GLY A 49 -15.555 -2.772 7.605 1.00 0.00 C ATOM 665 O GLY A 49 -16.432 -2.038 8.054 1.00 0.00 O ATOM 0 H GLY A 49 -14.309 -5.232 6.265 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -16.847 -3.811 6.249 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -16.178 -4.819 7.517 1.00 0.00 H new ATOM 669 N GLU A 50 -14.263 -2.501 7.754 1.00 0.00 N ATOM 670 CA GLU A 50 -13.812 -1.392 8.614 1.00 0.00 C ATOM 671 C GLU A 50 -13.413 -0.043 7.948 1.00 0.00 C ATOM 672 O GLU A 50 -12.581 0.660 8.505 1.00 0.00 O ATOM 673 CB GLU A 50 -12.728 -1.900 9.549 1.00 0.00 C ATOM 674 CG GLU A 50 -13.262 -2.856 10.595 1.00 0.00 C ATOM 675 CD GLU A 50 -14.057 -2.154 11.678 1.00 0.00 C ATOM 676 OE1 GLU A 50 -15.277 -1.962 11.489 1.00 0.00 O ATOM 677 OE2 GLU A 50 -13.460 -1.795 12.714 1.00 0.00 O ATOM 0 H GLU A 50 -13.512 -3.021 7.301 1.00 0.00 H new ATOM 0 HA GLU A 50 -14.713 -1.094 9.151 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -11.955 -2.400 8.965 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -12.254 -1.053 10.045 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -13.894 -3.601 10.111 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -12.429 -3.392 11.051 1.00 0.00 H new ATOM 684 N LEU A 51 -13.885 0.257 6.732 1.00 0.00 N ATOM 685 CA LEU A 51 -13.640 1.582 6.078 1.00 0.00 C ATOM 686 C LEU A 51 -12.599 1.533 4.993 1.00 0.00 C ATOM 687 O LEU A 51 -11.385 1.427 5.255 1.00 0.00 O ATOM 688 CB LEU A 51 -13.321 2.701 7.051 1.00 0.00 C ATOM 689 CG LEU A 51 -13.503 4.106 6.470 1.00 0.00 C ATOM 690 CD1 LEU A 51 -14.978 4.432 6.251 1.00 0.00 C ATOM 691 CD2 LEU A 51 -12.836 5.154 7.351 1.00 0.00 C ATOM 0 H LEU A 51 -14.440 -0.387 6.169 1.00 0.00 H new ATOM 0 HA LEU A 51 -14.599 1.815 5.615 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -13.959 2.597 7.929 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -12.291 2.590 7.390 1.00 0.00 H new ATOM 0 HG LEU A 51 -13.013 4.125 5.496 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -15.071 5.436 5.838 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -15.410 3.712 5.556 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -15.507 4.381 7.203 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -12.981 6.142 6.914 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -13.280 5.128 8.346 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -11.769 4.943 7.424 1.00 0.00 H new ATOM 703 N GLY A 52 -13.128 1.635 3.766 1.00 0.00 N ATOM 704 CA GLY A 52 -12.348 1.565 2.553 1.00 0.00 C ATOM 705 C GLY A 52 -11.439 0.397 2.618 1.00 0.00 C ATOM 706 O GLY A 52 -10.515 0.251 1.821 1.00 0.00 O ATOM 0 H GLY A 52 -14.125 1.770 3.601 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -13.007 1.479 1.689 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -11.772 2.481 2.425 1.00 0.00 H new ATOM 710 N LEU A 53 -11.755 -0.427 3.603 1.00 0.00 N ATOM 711 CA LEU A 53 -11.047 -1.620 3.923 1.00 0.00 C ATOM 712 C LEU A 53 -10.050 -1.278 5.012 1.00 0.00 C ATOM 713 O LEU A 53 -8.856 -1.528 4.864 1.00 0.00 O ATOM 714 CB LEU A 53 -10.367 -2.271 2.709 1.00 0.00 C ATOM 715 CG LEU A 53 -11.265 -2.633 1.497 1.00 0.00 C ATOM 716 CD1 LEU A 53 -11.200 -4.118 1.199 1.00 0.00 C ATOM 717 CD2 LEU A 53 -12.717 -2.198 1.699 1.00 0.00 C ATOM 0 H LEU A 53 -12.550 -0.260 4.219 1.00 0.00 H new ATOM 0 HA LEU A 53 -11.756 -2.372 4.271 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -9.585 -1.597 2.359 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -9.874 -3.183 3.047 1.00 0.00 H new ATOM 0 HG LEU A 53 -10.874 -2.082 0.642 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -11.838 -4.346 0.345 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -10.172 -4.398 0.969 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -11.543 -4.679 2.068 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -13.305 -2.474 0.823 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -13.126 -2.692 2.581 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -12.757 -1.118 1.837 1.00 0.00 H new ATOM 729 N ASP A 54 -10.566 -0.688 6.117 1.00 0.00 N ATOM 730 CA ASP A 54 -9.725 -0.282 7.242 1.00 0.00 C ATOM 731 C ASP A 54 -8.291 -0.244 6.817 1.00 0.00 C ATOM 732 O ASP A 54 -7.650 -1.285 6.735 1.00 0.00 O ATOM 733 CB ASP A 54 -9.845 -1.258 8.393 1.00 0.00 C ATOM 734 CG ASP A 54 -9.729 -0.586 9.749 1.00 0.00 C ATOM 735 OD1 ASP A 54 -10.521 0.339 10.024 1.00 0.00 O ATOM 736 OD2 ASP A 54 -8.846 -0.986 10.536 1.00 0.00 O ATOM 0 H ASP A 54 -11.558 -0.488 6.242 1.00 0.00 H new ATOM 0 HA ASP A 54 -10.059 0.704 7.564 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -10.804 -1.773 8.329 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -9.069 -2.018 8.302 1.00 0.00 H new ATOM 741 N VAL A 55 -7.781 0.928 6.531 1.00 0.00 N ATOM 742 CA VAL A 55 -6.394 1.009 6.098 1.00 0.00 C ATOM 743 C VAL A 55 -5.479 0.171 6.979 1.00 0.00 C ATOM 744 O VAL A 55 -4.620 -0.528 6.440 1.00 0.00 O ATOM 745 CB VAL A 55 -5.840 2.443 5.977 1.00 0.00 C ATOM 746 CG1 VAL A 55 -5.183 2.916 7.267 1.00 0.00 C ATOM 747 CG2 VAL A 55 -4.867 2.482 4.806 1.00 0.00 C ATOM 0 H VAL A 55 -8.279 1.816 6.585 1.00 0.00 H new ATOM 0 HA VAL A 55 -6.403 0.599 5.088 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.665 3.132 5.795 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -4.808 3.931 7.134 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.915 2.903 8.074 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -4.355 2.253 7.518 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -4.463 3.489 4.702 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.052 1.781 4.986 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -5.389 2.204 3.890 1.00 0.00 H new ATOM 757 N PRO A 56 -5.660 0.178 8.333 1.00 0.00 N ATOM 758 CA PRO A 56 -4.811 -0.612 9.221 1.00 0.00 C ATOM 759 C PRO A 56 -4.959 -2.085 8.907 1.00 0.00 C ATOM 760 O PRO A 56 -4.156 -2.913 9.339 1.00 0.00 O ATOM 761 CB PRO A 56 -5.334 -0.300 10.630 1.00 0.00 C ATOM 762 CG PRO A 56 -6.119 0.956 10.478 1.00 0.00 C ATOM 763 CD PRO A 56 -6.702 0.895 9.099 1.00 0.00 C ATOM 0 HA PRO A 56 -3.753 -0.374 9.115 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -5.956 -1.111 11.009 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -4.514 -0.170 11.336 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -6.902 1.024 11.233 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -5.484 1.834 10.598 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -7.653 0.362 9.085 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -6.889 1.890 8.695 1.00 0.00 H new ATOM 771 N LEU A 57 -6.042 -2.415 8.214 1.00 0.00 N ATOM 772 CA LEU A 57 -6.284 -3.778 7.806 1.00 0.00 C ATOM 773 C LEU A 57 -5.850 -4.052 6.362 1.00 0.00 C ATOM 774 O LEU A 57 -4.893 -4.775 6.138 1.00 0.00 O ATOM 775 CB LEU A 57 -7.745 -4.159 7.994 1.00 0.00 C ATOM 776 CG LEU A 57 -8.275 -4.065 9.430 1.00 0.00 C ATOM 777 CD1 LEU A 57 -9.734 -4.484 9.489 1.00 0.00 C ATOM 778 CD2 LEU A 57 -7.442 -4.919 10.375 1.00 0.00 C ATOM 0 H LEU A 57 -6.762 -1.752 7.927 1.00 0.00 H new ATOM 0 HA LEU A 57 -5.668 -4.401 8.454 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -8.354 -3.516 7.358 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -7.884 -5.181 7.641 1.00 0.00 H new ATOM 0 HG LEU A 57 -8.197 -3.026 9.750 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -10.092 -4.411 10.516 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -10.327 -3.829 8.850 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -9.831 -5.513 9.143 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -7.839 -4.835 11.387 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -7.482 -5.960 10.055 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.408 -4.574 10.361 1.00 0.00 H new ATOM 790 N ASP A 58 -6.568 -3.465 5.389 1.00 0.00 N ATOM 791 CA ASP A 58 -6.304 -3.700 3.959 1.00 0.00 C ATOM 792 C ASP A 58 -5.031 -3.107 3.415 1.00 0.00 C ATOM 793 O ASP A 58 -4.188 -3.839 2.919 1.00 0.00 O ATOM 794 CB ASP A 58 -7.446 -3.181 3.119 1.00 0.00 C ATOM 795 CG ASP A 58 -7.198 -3.358 1.635 1.00 0.00 C ATOM 796 OD1 ASP A 58 -6.639 -4.404 1.248 1.00 0.00 O ATOM 797 OD2 ASP A 58 -7.561 -2.448 0.861 1.00 0.00 O ATOM 0 H ASP A 58 -7.339 -2.822 5.568 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.195 -4.783 3.895 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.363 -3.701 3.396 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.601 -2.124 3.335 1.00 0.00 H new ATOM 802 N LEU A 59 -4.892 -1.796 3.457 1.00 0.00 N ATOM 803 CA LEU A 59 -3.704 -1.194 2.902 1.00 0.00 C ATOM 804 C LEU A 59 -2.555 -1.482 3.793 1.00 0.00 C ATOM 805 O LEU A 59 -1.422 -1.203 3.464 1.00 0.00 O ATOM 806 CB LEU A 59 -3.863 0.276 2.604 1.00 0.00 C ATOM 807 CG LEU A 59 -4.100 0.563 1.122 1.00 0.00 C ATOM 808 CD1 LEU A 59 -2.806 0.518 0.329 1.00 0.00 C ATOM 809 CD2 LEU A 59 -5.115 -0.416 0.531 1.00 0.00 C ATOM 0 H LEU A 59 -5.568 -1.146 3.858 1.00 0.00 H new ATOM 0 HA LEU A 59 -3.514 -1.643 1.927 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -4.698 0.670 3.183 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -2.969 0.806 2.933 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.504 1.573 1.050 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.015 0.727 -0.720 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.115 1.266 0.717 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.358 -0.471 0.420 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.266 -0.190 -0.525 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.741 -1.435 0.634 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.063 -0.322 1.061 1.00 0.00 H new ATOM 821 N ALA A 60 -2.893 -1.944 4.973 1.00 0.00 N ATOM 822 CA ALA A 60 -1.908 -2.358 5.932 1.00 0.00 C ATOM 823 C ALA A 60 -1.599 -3.816 5.652 1.00 0.00 C ATOM 824 O ALA A 60 -0.505 -4.290 5.913 1.00 0.00 O ATOM 825 CB ALA A 60 -2.421 -2.158 7.332 1.00 0.00 C ATOM 0 H ALA A 60 -3.857 -2.042 5.291 1.00 0.00 H new ATOM 0 HA ALA A 60 -0.999 -1.762 5.846 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -1.662 -2.477 8.047 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -2.647 -1.103 7.489 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.326 -2.749 7.476 1.00 0.00 H new ATOM 831 N CYS A 61 -2.608 -4.524 5.130 1.00 0.00 N ATOM 832 CA CYS A 61 -2.452 -5.913 4.710 1.00 0.00 C ATOM 833 C CYS A 61 -1.598 -5.858 3.464 1.00 0.00 C ATOM 834 O CYS A 61 -0.716 -6.683 3.201 1.00 0.00 O ATOM 835 CB CYS A 61 -3.819 -6.537 4.372 1.00 0.00 C ATOM 836 SG CYS A 61 -3.752 -7.937 3.204 1.00 0.00 S ATOM 0 H CYS A 61 -3.546 -4.150 4.990 1.00 0.00 H new ATOM 0 HA CYS A 61 -2.005 -6.520 5.497 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -4.287 -6.875 5.296 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -4.463 -5.763 3.954 1.00 0.00 H new ATOM 841 N ALA A 62 -1.867 -4.802 2.733 1.00 0.00 N ATOM 842 CA ALA A 62 -1.198 -4.510 1.501 1.00 0.00 C ATOM 843 C ALA A 62 0.161 -3.872 1.766 1.00 0.00 C ATOM 844 O ALA A 62 1.163 -4.264 1.163 1.00 0.00 O ATOM 845 CB ALA A 62 -2.095 -3.617 0.669 1.00 0.00 C ATOM 0 H ALA A 62 -2.573 -4.112 2.989 1.00 0.00 H new ATOM 0 HA ALA A 62 -1.006 -5.429 0.947 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -1.602 -3.383 -0.275 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -3.036 -4.131 0.469 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -2.294 -2.693 1.213 1.00 0.00 H new ATOM 851 N ALA A 63 0.183 -2.887 2.672 1.00 0.00 N ATOM 852 CA ALA A 63 1.421 -2.212 3.048 1.00 0.00 C ATOM 853 C ALA A 63 2.315 -3.218 3.710 1.00 0.00 C ATOM 854 O ALA A 63 3.533 -3.184 3.564 1.00 0.00 O ATOM 855 CB ALA A 63 1.173 -1.051 3.996 1.00 0.00 C ATOM 0 H ALA A 63 -0.646 -2.543 3.156 1.00 0.00 H new ATOM 0 HA ALA A 63 1.883 -1.802 2.150 1.00 0.00 H new ATOM 0 HB1 ALA A 63 2.122 -0.579 4.249 1.00 0.00 H new ATOM 0 HB2 ALA A 63 0.521 -0.322 3.515 1.00 0.00 H new ATOM 0 HB3 ALA A 63 0.697 -1.419 4.905 1.00 0.00 H new ATOM 861 N THR A 64 1.688 -4.134 4.432 1.00 0.00 N ATOM 862 CA THR A 64 2.440 -5.189 5.084 1.00 0.00 C ATOM 863 C THR A 64 2.892 -6.161 4.015 1.00 0.00 C ATOM 864 O THR A 64 3.336 -7.269 4.310 1.00 0.00 O ATOM 865 CB THR A 64 1.667 -5.947 6.207 1.00 0.00 C ATOM 866 OG1 THR A 64 2.601 -6.623 7.057 1.00 0.00 O ATOM 867 CG2 THR A 64 0.672 -6.971 5.656 1.00 0.00 C ATOM 0 H THR A 64 0.679 -4.168 4.579 1.00 0.00 H new ATOM 0 HA THR A 64 3.280 -4.719 5.595 1.00 0.00 H new ATOM 0 HB THR A 64 1.100 -5.200 6.762 1.00 0.00 H new ATOM 0 HG1 THR A 64 3.249 -7.112 6.508 1.00 0.00 H new ATOM 0 HG21 THR A 64 0.164 -7.467 6.483 1.00 0.00 H new ATOM 0 HG22 THR A 64 -0.063 -6.464 5.031 1.00 0.00 H new ATOM 0 HG23 THR A 64 1.205 -7.713 5.061 1.00 0.00 H new ATOM 875 N ALA A 65 2.769 -5.727 2.752 1.00 0.00 N ATOM 876 CA ALA A 65 3.149 -6.567 1.644 1.00 0.00 C ATOM 877 C ALA A 65 3.346 -5.828 0.303 1.00 0.00 C ATOM 878 O ALA A 65 4.362 -5.185 0.095 1.00 0.00 O ATOM 879 CB ALA A 65 2.124 -7.652 1.502 1.00 0.00 C ATOM 0 H ALA A 65 2.412 -4.808 2.490 1.00 0.00 H new ATOM 0 HA ALA A 65 4.133 -6.973 1.878 1.00 0.00 H new ATOM 0 HB1 ALA A 65 2.393 -8.300 0.668 1.00 0.00 H new ATOM 0 HB2 ALA A 65 2.086 -8.239 2.420 1.00 0.00 H new ATOM 0 HB3 ALA A 65 1.147 -7.207 1.315 1.00 0.00 H new ATOM 885 N THR A 66 2.371 -5.936 -0.613 1.00 0.00 N ATOM 886 CA THR A 66 2.501 -5.360 -1.966 1.00 0.00 C ATOM 887 C THR A 66 2.174 -3.880 -2.062 1.00 0.00 C ATOM 888 O THR A 66 2.842 -3.173 -2.811 1.00 0.00 O ATOM 889 CB THR A 66 1.659 -6.130 -3.000 1.00 0.00 C ATOM 890 OG1 THR A 66 1.307 -7.418 -2.493 1.00 0.00 O ATOM 891 CG2 THR A 66 2.426 -6.301 -4.297 1.00 0.00 C ATOM 0 H THR A 66 1.486 -6.415 -0.445 1.00 0.00 H new ATOM 0 HA THR A 66 3.562 -5.465 -2.193 1.00 0.00 H new ATOM 0 HB THR A 66 0.755 -5.553 -3.192 1.00 0.00 H new ATOM 0 HG1 THR A 66 1.997 -8.068 -2.743 1.00 0.00 H new ATOM 0 HG21 THR A 66 1.812 -6.848 -5.013 1.00 0.00 H new ATOM 0 HG22 THR A 66 2.674 -5.321 -4.705 1.00 0.00 H new ATOM 0 HG23 THR A 66 3.344 -6.857 -4.106 1.00 0.00 H new ATOM 899 N SER A 67 1.157 -3.388 -1.360 1.00 0.00 N ATOM 900 CA SER A 67 0.887 -1.951 -1.427 1.00 0.00 C ATOM 901 C SER A 67 2.176 -1.276 -1.048 1.00 0.00 C ATOM 902 O SER A 67 2.437 -0.113 -1.358 1.00 0.00 O ATOM 903 CB SER A 67 -0.250 -1.530 -0.525 1.00 0.00 C ATOM 904 OG SER A 67 -1.496 -1.700 -1.180 1.00 0.00 O ATOM 0 H SER A 67 0.531 -3.930 -0.764 1.00 0.00 H new ATOM 0 HA SER A 67 0.563 -1.667 -2.428 1.00 0.00 H new ATOM 0 HB2 SER A 67 -0.232 -2.120 0.392 1.00 0.00 H new ATOM 0 HB3 SER A 67 -0.125 -0.487 -0.236 1.00 0.00 H new ATOM 0 HG SER A 67 -1.391 -2.330 -1.923 1.00 0.00 H new ATOM 910 N SER A 68 2.957 -2.071 -0.331 1.00 0.00 N ATOM 911 CA SER A 68 4.294 -1.774 0.052 1.00 0.00 C ATOM 912 C SER A 68 4.468 -0.741 1.122 1.00 0.00 C ATOM 913 O SER A 68 4.279 0.449 0.914 1.00 0.00 O ATOM 914 CB SER A 68 5.148 -1.425 -1.149 1.00 0.00 C ATOM 915 OG SER A 68 4.387 -1.306 -2.331 1.00 0.00 O ATOM 0 H SER A 68 2.642 -2.981 0.007 1.00 0.00 H new ATOM 0 HA SER A 68 4.634 -2.704 0.507 1.00 0.00 H new ATOM 0 HB2 SER A 68 5.671 -0.487 -0.960 1.00 0.00 H new ATOM 0 HB3 SER A 68 5.910 -2.193 -1.286 1.00 0.00 H new ATOM 0 HG SER A 68 4.254 -0.358 -2.540 1.00 0.00 H new ATOM 921 N ALA A 69 4.846 -1.254 2.270 1.00 0.00 N ATOM 922 CA ALA A 69 5.180 -0.449 3.431 1.00 0.00 C ATOM 923 C ALA A 69 5.218 -1.317 4.675 1.00 0.00 C ATOM 924 O ALA A 69 4.667 -0.969 5.720 1.00 0.00 O ATOM 925 CB ALA A 69 4.226 0.722 3.603 1.00 0.00 C ATOM 0 H ALA A 69 4.933 -2.258 2.430 1.00 0.00 H new ATOM 0 HA ALA A 69 6.171 -0.025 3.272 1.00 0.00 H new ATOM 0 HB1 ALA A 69 4.512 1.298 4.483 1.00 0.00 H new ATOM 0 HB2 ALA A 69 4.271 1.361 2.721 1.00 0.00 H new ATOM 0 HB3 ALA A 69 3.210 0.348 3.728 1.00 0.00 H new ATOM 931 N THR A 70 5.882 -2.456 4.539 1.00 0.00 N ATOM 932 CA THR A 70 6.013 -3.410 5.627 1.00 0.00 C ATOM 933 C THR A 70 7.376 -3.285 6.288 1.00 0.00 C ATOM 934 O THR A 70 8.372 -3.804 5.788 1.00 0.00 O ATOM 935 CB THR A 70 5.820 -4.858 5.133 1.00 0.00 C ATOM 936 OG1 THR A 70 6.731 -5.736 5.805 1.00 0.00 O ATOM 937 CG2 THR A 70 6.020 -4.957 3.627 1.00 0.00 C ATOM 0 H THR A 70 6.342 -2.742 3.675 1.00 0.00 H new ATOM 0 HA THR A 70 5.233 -3.181 6.353 1.00 0.00 H new ATOM 0 HB THR A 70 4.797 -5.157 5.362 1.00 0.00 H new ATOM 0 HG1 THR A 70 6.840 -6.557 5.281 1.00 0.00 H new ATOM 0 HG21 THR A 70 5.878 -5.990 3.308 1.00 0.00 H new ATOM 0 HG22 THR A 70 5.296 -4.318 3.121 1.00 0.00 H new ATOM 0 HG23 THR A 70 7.030 -4.635 3.372 1.00 0.00 H new ATOM 945 N GLU A 71 7.413 -2.588 7.414 1.00 0.00 N ATOM 946 CA GLU A 71 8.654 -2.393 8.145 1.00 0.00 C ATOM 947 C GLU A 71 9.153 -3.703 8.725 1.00 0.00 C ATOM 948 O GLU A 71 10.210 -3.754 9.354 1.00 0.00 O ATOM 949 CB GLU A 71 8.477 -1.343 9.239 1.00 0.00 C ATOM 950 CG GLU A 71 7.570 -1.749 10.381 1.00 0.00 C ATOM 951 CD GLU A 71 6.107 -1.780 9.988 1.00 0.00 C ATOM 952 OE1 GLU A 71 5.453 -0.717 10.046 1.00 0.00 O ATOM 953 OE2 GLU A 71 5.612 -2.869 9.625 1.00 0.00 O ATOM 0 H GLU A 71 6.597 -2.148 7.841 1.00 0.00 H new ATOM 0 HA GLU A 71 9.406 -2.029 7.445 1.00 0.00 H new ATOM 0 HB2 GLU A 71 9.458 -1.096 9.645 1.00 0.00 H new ATOM 0 HB3 GLU A 71 8.081 -0.434 8.787 1.00 0.00 H new ATOM 0 HG2 GLU A 71 7.866 -2.735 10.741 1.00 0.00 H new ATOM 0 HG3 GLU A 71 7.704 -1.054 11.210 1.00 0.00 H new ATOM 960 N ALA A 72 8.385 -4.763 8.509 1.00 0.00 N ATOM 961 CA ALA A 72 8.756 -6.071 9.009 1.00 0.00 C ATOM 962 C ALA A 72 9.557 -6.860 7.975 1.00 0.00 C ATOM 963 O ALA A 72 10.394 -7.688 8.335 1.00 0.00 O ATOM 964 CB ALA A 72 7.520 -6.849 9.436 1.00 0.00 C ATOM 0 H ALA A 72 7.506 -4.739 7.993 1.00 0.00 H new ATOM 0 HA ALA A 72 9.395 -5.924 9.880 1.00 0.00 H new ATOM 0 HB1 ALA A 72 7.818 -7.829 9.809 1.00 0.00 H new ATOM 0 HB2 ALA A 72 7.001 -6.303 10.224 1.00 0.00 H new ATOM 0 HB3 ALA A 72 6.855 -6.973 8.581 1.00 0.00 H new ATOM 970 N CYS A 73 9.304 -6.603 6.689 1.00 0.00 N ATOM 971 CA CYS A 73 10.024 -7.303 5.626 1.00 0.00 C ATOM 972 C CYS A 73 10.846 -6.340 4.809 1.00 0.00 C ATOM 973 O CYS A 73 11.563 -6.751 3.899 1.00 0.00 O ATOM 974 CB CYS A 73 9.069 -7.993 4.653 1.00 0.00 C ATOM 975 SG CYS A 73 7.651 -8.825 5.427 1.00 0.00 S ATOM 0 H CYS A 73 8.615 -5.925 6.363 1.00 0.00 H new ATOM 0 HA CYS A 73 10.655 -8.038 6.125 1.00 0.00 H new ATOM 0 HB2 CYS A 73 8.695 -7.251 3.947 1.00 0.00 H new ATOM 0 HB3 CYS A 73 9.631 -8.727 4.076 1.00 0.00 H new ATOM 980 N LYS A 74 10.754 -5.063 5.129 1.00 0.00 N ATOM 981 CA LYS A 74 11.443 -4.079 4.335 1.00 0.00 C ATOM 982 C LYS A 74 12.948 -4.163 4.389 1.00 0.00 C ATOM 983 O LYS A 74 13.552 -5.223 4.231 1.00 0.00 O ATOM 984 CB LYS A 74 10.981 -2.650 4.623 1.00 0.00 C ATOM 985 CG LYS A 74 11.273 -1.710 3.450 1.00 0.00 C ATOM 986 CD LYS A 74 12.378 -0.696 3.756 1.00 0.00 C ATOM 987 CE LYS A 74 12.780 0.130 2.549 1.00 0.00 C ATOM 988 NZ LYS A 74 13.893 1.068 2.863 1.00 0.00 N ATOM 0 H LYS A 74 10.220 -4.694 5.916 1.00 0.00 H new ATOM 0 HA LYS A 74 11.157 -4.336 3.315 1.00 0.00 H new ATOM 0 HB2 LYS A 74 9.911 -2.649 4.832 1.00 0.00 H new ATOM 0 HB3 LYS A 74 11.481 -2.280 5.518 1.00 0.00 H new ATOM 0 HG2 LYS A 74 11.561 -2.301 2.581 1.00 0.00 H new ATOM 0 HG3 LYS A 74 10.361 -1.176 3.184 1.00 0.00 H new ATOM 0 HD2 LYS A 74 12.041 -0.029 4.549 1.00 0.00 H new ATOM 0 HD3 LYS A 74 13.253 -1.225 4.135 1.00 0.00 H new ATOM 0 HE2 LYS A 74 13.083 -0.534 1.739 1.00 0.00 H new ATOM 0 HE3 LYS A 74 11.919 0.695 2.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 14.138 1.614 2.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 13.596 1.719 3.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 14.724 0.528 3.179 1.00 0.00 H new ATOM 1002 N GLY A 75 13.528 -3.015 4.617 1.00 0.00 N ATOM 1003 CA GLY A 75 14.940 -2.867 4.562 1.00 0.00 C ATOM 1004 C GLY A 75 15.289 -2.942 3.103 1.00 0.00 C ATOM 1005 O GLY A 75 16.424 -3.228 2.724 1.00 0.00 O ATOM 0 H GLY A 75 13.024 -2.158 4.846 1.00 0.00 H new ATOM 0 HA2 GLY A 75 15.253 -1.916 4.993 1.00 0.00 H new ATOM 0 HA3 GLY A 75 15.440 -3.653 5.127 1.00 0.00 H new ATOM 1009 N CYS A 76 14.258 -2.660 2.274 1.00 0.00 N ATOM 1010 CA CYS A 76 14.386 -2.756 0.841 1.00 0.00 C ATOM 1011 C CYS A 76 13.235 -2.096 0.055 1.00 0.00 C ATOM 1012 O CYS A 76 13.464 -1.153 -0.701 1.00 0.00 O ATOM 1013 CB CYS A 76 14.400 -4.235 0.462 1.00 0.00 C ATOM 1014 SG CYS A 76 16.036 -5.032 0.470 1.00 0.00 S ATOM 0 H CYS A 76 13.336 -2.366 2.594 1.00 0.00 H new ATOM 0 HA CYS A 76 15.304 -2.229 0.579 1.00 0.00 H new ATOM 0 HB2 CYS A 76 13.749 -4.774 1.150 1.00 0.00 H new ATOM 0 HB3 CYS A 76 13.969 -4.341 -0.533 1.00 0.00 H new ATOM 1019 N LEU A 77 11.991 -2.558 0.272 1.00 0.00 N ATOM 1020 CA LEU A 77 10.861 -2.110 -0.564 1.00 0.00 C ATOM 1021 C LEU A 77 9.782 -1.209 0.081 1.00 0.00 C ATOM 1022 O LEU A 77 8.663 -1.172 -0.413 1.00 0.00 O ATOM 1023 CB LEU A 77 10.173 -3.346 -1.123 1.00 0.00 C ATOM 1024 CG LEU A 77 9.103 -3.098 -2.196 1.00 0.00 C ATOM 1025 CD1 LEU A 77 9.736 -2.736 -3.520 1.00 0.00 C ATOM 1026 CD2 LEU A 77 8.202 -4.302 -2.348 1.00 0.00 C ATOM 0 H LEU A 77 11.744 -3.226 1.002 1.00 0.00 H new ATOM 0 HA LEU A 77 11.326 -1.464 -1.309 1.00 0.00 H new ATOM 0 HB2 LEU A 77 10.935 -4.002 -1.544 1.00 0.00 H new ATOM 0 HB3 LEU A 77 9.711 -3.885 -0.296 1.00 0.00 H new ATOM 0 HG LEU A 77 8.494 -2.255 -1.870 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.956 -2.566 -4.262 1.00 0.00 H new ATOM 0 HD12 LEU A 77 10.330 -1.830 -3.404 1.00 0.00 H new ATOM 0 HD13 LEU A 77 10.379 -3.551 -3.851 1.00 0.00 H new ATOM 0 HD21 LEU A 77 7.453 -4.101 -3.114 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.797 -5.167 -2.640 1.00 0.00 H new ATOM 0 HD23 LEU A 77 7.706 -4.507 -1.400 1.00 0.00 H new ATOM 1038 N TRP A 78 10.047 -0.502 1.158 1.00 0.00 N ATOM 1039 CA TRP A 78 9.005 0.381 1.705 1.00 0.00 C ATOM 1040 C TRP A 78 8.278 1.148 0.600 1.00 0.00 C ATOM 1041 O TRP A 78 8.912 1.984 -0.067 1.00 0.00 O ATOM 1042 CB TRP A 78 9.559 1.362 2.748 1.00 0.00 C ATOM 1043 CG TRP A 78 9.444 0.847 4.141 1.00 0.00 C ATOM 1044 CD1 TRP A 78 8.584 -0.105 4.588 1.00 0.00 C ATOM 1045 CD2 TRP A 78 10.225 1.240 5.265 1.00 0.00 C ATOM 1046 NE1 TRP A 78 8.805 -0.358 5.909 1.00 0.00 N ATOM 1047 CE2 TRP A 78 9.806 0.460 6.349 1.00 0.00 C ATOM 1048 CE3 TRP A 78 11.247 2.166 5.458 1.00 0.00 C ATOM 1049 CZ2 TRP A 78 10.374 0.572 7.600 1.00 0.00 C ATOM 1050 CZ3 TRP A 78 11.809 2.284 6.718 1.00 0.00 C ATOM 1051 CH2 TRP A 78 11.368 1.478 7.776 1.00 0.00 C ATOM 1052 OXT TRP A 78 7.068 0.899 0.413 1.00 0.00 O ATOM 0 H TRP A 78 10.932 -0.508 1.665 1.00 0.00 H new ATOM 0 HA TRP A 78 8.289 -0.271 2.206 1.00 0.00 H new ATOM 0 HB2 TRP A 78 10.606 1.568 2.527 1.00 0.00 H new ATOM 0 HB3 TRP A 78 9.025 2.309 2.670 1.00 0.00 H new ATOM 0 HD1 TRP A 78 7.833 -0.592 3.983 1.00 0.00 H new ATOM 0 HE1 TRP A 78 8.306 -1.044 6.475 1.00 0.00 H new ATOM 0 HE3 TRP A 78 11.595 2.780 4.641 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 10.036 -0.046 8.419 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 12.595 3.005 6.887 1.00 0.00 H new ATOM 0 HH2 TRP A 78 11.827 1.580 8.748 1.00 0.00 H new ATOM 1109 N SER B 4 6.832 10.202 1.617 1.00 0.00 N ATOM 1110 CA SER B 4 7.506 8.937 1.877 1.00 0.00 C ATOM 1111 C SER B 4 6.560 7.783 1.612 1.00 0.00 C ATOM 1112 O SER B 4 5.424 8.000 1.213 1.00 0.00 O ATOM 1113 CB SER B 4 7.978 8.875 3.326 1.00 0.00 C ATOM 1114 OG SER B 4 8.845 7.774 3.538 1.00 0.00 O ATOM 0 HA SER B 4 8.369 8.863 1.215 1.00 0.00 H new ATOM 0 HB2 SER B 4 8.493 9.801 3.583 1.00 0.00 H new ATOM 0 HB3 SER B 4 7.116 8.795 3.988 1.00 0.00 H new ATOM 0 HG SER B 4 9.133 7.760 4.475 1.00 0.00 H new ATOM 1120 N VAL B 5 7.023 6.563 1.830 1.00 0.00 N ATOM 1121 CA VAL B 5 6.177 5.398 1.623 1.00 0.00 C ATOM 1122 C VAL B 5 5.187 5.268 2.781 1.00 0.00 C ATOM 1123 O VAL B 5 3.977 5.179 2.570 1.00 0.00 O ATOM 1124 CB VAL B 5 7.000 4.094 1.471 1.00 0.00 C ATOM 1125 CG1 VAL B 5 8.478 4.402 1.269 1.00 0.00 C ATOM 1126 CG2 VAL B 5 6.781 3.152 2.654 1.00 0.00 C ATOM 0 H VAL B 5 7.970 6.354 2.147 1.00 0.00 H new ATOM 0 HA VAL B 5 5.635 5.544 0.689 1.00 0.00 H new ATOM 0 HB VAL B 5 6.643 3.579 0.579 1.00 0.00 H new ATOM 0 HG11 VAL B 5 9.033 3.470 1.165 1.00 0.00 H new ATOM 0 HG12 VAL B 5 8.605 5.002 0.368 1.00 0.00 H new ATOM 0 HG13 VAL B 5 8.855 4.955 2.129 1.00 0.00 H new ATOM 0 HG21 VAL B 5 7.374 2.248 2.514 1.00 0.00 H new ATOM 0 HG22 VAL B 5 7.088 3.647 3.575 1.00 0.00 H new ATOM 0 HG23 VAL B 5 5.725 2.888 2.718 1.00 0.00 H new ATOM 1136 N GLY B 6 5.713 5.269 4.006 1.00 0.00 N ATOM 1137 CA GLY B 6 4.868 5.151 5.180 1.00 0.00 C ATOM 1138 C GLY B 6 3.954 6.350 5.337 1.00 0.00 C ATOM 1139 O GLY B 6 2.772 6.202 5.650 1.00 0.00 O ATOM 0 H GLY B 6 6.710 5.350 4.204 1.00 0.00 H new ATOM 0 HA2 GLY B 6 4.268 4.244 5.107 1.00 0.00 H new ATOM 0 HA3 GLY B 6 5.492 5.050 6.068 1.00 0.00 H new ATOM 1143 N ASP B 7 4.506 7.540 5.120 1.00 0.00 N ATOM 1144 CA ASP B 7 3.728 8.769 5.216 1.00 0.00 C ATOM 1145 C ASP B 7 2.673 8.791 4.126 1.00 0.00 C ATOM 1146 O ASP B 7 1.558 9.272 4.331 1.00 0.00 O ATOM 1147 CB ASP B 7 4.636 9.989 5.075 1.00 0.00 C ATOM 1148 CG ASP B 7 5.649 10.094 6.197 1.00 0.00 C ATOM 1149 OD1 ASP B 7 6.663 9.367 6.151 1.00 0.00 O ATOM 1150 OD2 ASP B 7 5.430 10.906 7.121 1.00 0.00 O ATOM 0 H ASP B 7 5.487 7.678 4.877 1.00 0.00 H new ATOM 0 HA ASP B 7 3.246 8.802 6.193 1.00 0.00 H new ATOM 0 HB2 ASP B 7 5.160 9.939 4.121 1.00 0.00 H new ATOM 0 HB3 ASP B 7 4.025 10.892 5.056 1.00 0.00 H new ATOM 1155 N ALA B 8 3.044 8.267 2.962 1.00 0.00 N ATOM 1156 CA ALA B 8 2.135 8.206 1.832 1.00 0.00 C ATOM 1157 C ALA B 8 0.845 7.521 2.240 1.00 0.00 C ATOM 1158 O ALA B 8 -0.243 7.908 1.817 1.00 0.00 O ATOM 1159 CB ALA B 8 2.769 7.448 0.683 1.00 0.00 C ATOM 0 H ALA B 8 3.970 7.879 2.780 1.00 0.00 H new ATOM 0 HA ALA B 8 1.918 9.224 1.508 1.00 0.00 H new ATOM 0 HB1 ALA B 8 2.074 7.411 -0.156 1.00 0.00 H new ATOM 0 HB2 ALA B 8 3.684 7.953 0.375 1.00 0.00 H new ATOM 0 HB3 ALA B 8 3.005 6.433 1.003 1.00 0.00 H new ATOM 1165 N PHE B 9 0.988 6.492 3.067 1.00 0.00 N ATOM 1166 CA PHE B 9 -0.148 5.735 3.546 1.00 0.00 C ATOM 1167 C PHE B 9 -1.062 6.595 4.409 1.00 0.00 C ATOM 1168 O PHE B 9 -2.209 6.787 4.065 1.00 0.00 O ATOM 1169 CB PHE B 9 0.319 4.506 4.303 1.00 0.00 C ATOM 1170 CG PHE B 9 0.456 3.317 3.413 1.00 0.00 C ATOM 1171 CD1 PHE B 9 -0.614 2.472 3.187 1.00 0.00 C ATOM 1172 CD2 PHE B 9 1.653 3.060 2.777 1.00 0.00 C ATOM 1173 CE1 PHE B 9 -0.490 1.394 2.338 1.00 0.00 C ATOM 1174 CE2 PHE B 9 1.783 1.981 1.935 1.00 0.00 C ATOM 1175 CZ PHE B 9 0.711 1.148 1.710 1.00 0.00 C ATOM 0 H PHE B 9 1.888 6.166 3.418 1.00 0.00 H new ATOM 0 HA PHE B 9 -0.728 5.408 2.683 1.00 0.00 H new ATOM 0 HB2 PHE B 9 1.278 4.716 4.777 1.00 0.00 H new ATOM 0 HB3 PHE B 9 -0.389 4.281 5.101 1.00 0.00 H new ATOM 0 HD1 PHE B 9 -1.556 2.658 3.681 1.00 0.00 H new ATOM 0 HD2 PHE B 9 2.497 3.713 2.942 1.00 0.00 H new ATOM 0 HE1 PHE B 9 -1.334 0.742 2.165 1.00 0.00 H new ATOM 0 HE2 PHE B 9 2.728 1.787 1.449 1.00 0.00 H new ATOM 0 HZ PHE B 9 0.811 0.304 1.043 1.00 0.00 H new ATOM 1185 N ASP B 10 -0.539 7.185 5.484 1.00 0.00 N ATOM 1186 CA ASP B 10 -1.377 7.997 6.379 1.00 0.00 C ATOM 1187 C ASP B 10 -2.309 8.895 5.568 1.00 0.00 C ATOM 1188 O ASP B 10 -3.475 9.099 5.922 1.00 0.00 O ATOM 1189 CB ASP B 10 -0.503 8.847 7.302 1.00 0.00 C ATOM 1190 CG ASP B 10 -1.322 9.683 8.265 1.00 0.00 C ATOM 1191 OD1 ASP B 10 -1.657 9.174 9.355 1.00 0.00 O ATOM 1192 OD2 ASP B 10 -1.628 10.847 7.929 1.00 0.00 O ATOM 0 H ASP B 10 0.442 7.121 5.757 1.00 0.00 H new ATOM 0 HA ASP B 10 -1.981 7.324 6.988 1.00 0.00 H new ATOM 0 HB2 ASP B 10 0.164 8.196 7.867 1.00 0.00 H new ATOM 0 HB3 ASP B 10 0.126 9.503 6.700 1.00 0.00 H new ATOM 1197 N LYS B 11 -1.786 9.391 4.459 1.00 0.00 N ATOM 1198 CA LYS B 11 -2.542 10.243 3.552 1.00 0.00 C ATOM 1199 C LYS B 11 -3.575 9.394 2.824 1.00 0.00 C ATOM 1200 O LYS B 11 -4.772 9.678 2.860 1.00 0.00 O ATOM 1201 CB LYS B 11 -1.595 10.907 2.552 1.00 0.00 C ATOM 1202 CG LYS B 11 -2.083 12.251 2.039 1.00 0.00 C ATOM 1203 CD LYS B 11 -3.342 12.098 1.208 1.00 0.00 C ATOM 1204 CE LYS B 11 -3.850 13.441 0.711 1.00 0.00 C ATOM 1205 NZ LYS B 11 -4.136 14.378 1.833 1.00 0.00 N ATOM 0 H LYS B 11 -0.826 9.215 4.161 1.00 0.00 H new ATOM 0 HA LYS B 11 -3.050 11.026 4.115 1.00 0.00 H new ATOM 0 HB2 LYS B 11 -0.621 11.041 3.023 1.00 0.00 H new ATOM 0 HB3 LYS B 11 -1.450 10.237 1.705 1.00 0.00 H new ATOM 0 HG2 LYS B 11 -2.279 12.915 2.881 1.00 0.00 H new ATOM 0 HG3 LYS B 11 -1.303 12.719 1.439 1.00 0.00 H new ATOM 0 HD2 LYS B 11 -3.140 11.447 0.357 1.00 0.00 H new ATOM 0 HD3 LYS B 11 -4.115 11.613 1.804 1.00 0.00 H new ATOM 0 HE2 LYS B 11 -3.109 13.886 0.047 1.00 0.00 H new ATOM 0 HE3 LYS B 11 -4.756 13.291 0.123 1.00 0.00 H new ATOM 0 HZ1 LYS B 11 -4.709 15.173 1.484 1.00 0.00 H new ATOM 0 HZ2 LYS B 11 -4.658 13.876 2.580 1.00 0.00 H new ATOM 0 HZ3 LYS B 11 -3.241 14.740 2.219 1.00 0.00 H new ATOM 1219 N TYR B 12 -3.088 8.351 2.159 1.00 0.00 N ATOM 1220 CA TYR B 12 -3.940 7.415 1.444 1.00 0.00 C ATOM 1221 C TYR B 12 -5.042 6.924 2.337 1.00 0.00 C ATOM 1222 O TYR B 12 -6.216 7.061 2.049 1.00 0.00 O ATOM 1223 CB TYR B 12 -3.158 6.175 1.040 1.00 0.00 C ATOM 1224 CG TYR B 12 -3.909 5.310 0.054 1.00 0.00 C ATOM 1225 CD1 TYR B 12 -4.737 5.871 -0.916 1.00 0.00 C ATOM 1226 CD2 TYR B 12 -3.797 3.932 0.101 1.00 0.00 C ATOM 1227 CE1 TYR B 12 -5.430 5.076 -1.809 1.00 0.00 C ATOM 1228 CE2 TYR B 12 -4.487 3.133 -0.789 1.00 0.00 C ATOM 1229 CZ TYR B 12 -5.302 3.707 -1.740 1.00 0.00 C ATOM 1230 OH TYR B 12 -5.989 2.909 -2.626 1.00 0.00 O ATOM 0 H TYR B 12 -2.093 8.134 2.102 1.00 0.00 H new ATOM 0 HA TYR B 12 -4.328 7.944 0.573 1.00 0.00 H new ATOM 0 HB2 TYR B 12 -2.207 6.477 0.602 1.00 0.00 H new ATOM 0 HB3 TYR B 12 -2.928 5.589 1.930 1.00 0.00 H new ATOM 0 HD1 TYR B 12 -4.839 6.945 -0.971 1.00 0.00 H new ATOM 0 HD2 TYR B 12 -3.161 3.475 0.844 1.00 0.00 H new ATOM 0 HE1 TYR B 12 -6.068 5.526 -2.556 1.00 0.00 H new ATOM 0 HE2 TYR B 12 -4.388 2.059 -0.740 1.00 0.00 H new ATOM 0 HH TYR B 12 -5.788 1.968 -2.442 1.00 0.00 H new ATOM 1240 N ASN B 13 -4.592 6.398 3.447 1.00 0.00 N ATOM 1241 CA ASN B 13 -5.413 5.795 4.466 1.00 0.00 C ATOM 1242 C ASN B 13 -6.722 6.534 4.650 1.00 0.00 C ATOM 1243 O ASN B 13 -7.795 5.957 4.491 1.00 0.00 O ATOM 1244 CB ASN B 13 -4.606 5.838 5.760 1.00 0.00 C ATOM 1245 CG ASN B 13 -3.346 4.980 5.730 1.00 0.00 C ATOM 1246 OD1 ASN B 13 -2.935 4.543 4.541 1.00 0.00 O flip ATOM 1247 ND2 ASN B 13 -2.751 4.704 6.772 1.00 0.00 N flip ATOM 0 H ASN B 13 -3.598 6.377 3.676 1.00 0.00 H new ATOM 0 HA ASN B 13 -5.669 4.775 4.180 1.00 0.00 H new ATOM 0 HB2 ASN B 13 -4.326 6.871 5.968 1.00 0.00 H new ATOM 0 HB3 ASN B 13 -5.240 5.508 6.583 1.00 0.00 H new ATOM 0 HD21 ASN B 13 -3.096 5.057 7.665 1.00 0.00 H new ATOM 0 HD22 ASN B 13 -1.914 4.122 6.742 1.00 0.00 H new ATOM 1254 N GLU B 14 -6.639 7.804 4.975 1.00 0.00 N ATOM 1255 CA GLU B 14 -7.841 8.596 5.158 1.00 0.00 C ATOM 1256 C GLU B 14 -8.643 8.642 3.848 1.00 0.00 C ATOM 1257 O GLU B 14 -9.870 8.544 3.839 1.00 0.00 O ATOM 1258 CB GLU B 14 -7.453 10.007 5.613 1.00 0.00 C ATOM 1259 CG GLU B 14 -7.075 10.932 4.472 1.00 0.00 C ATOM 1260 CD GLU B 14 -8.222 11.823 4.032 1.00 0.00 C ATOM 1261 OE1 GLU B 14 -8.368 12.925 4.600 1.00 0.00 O ATOM 1262 OE2 GLU B 14 -8.971 11.419 3.118 1.00 0.00 O ATOM 0 H GLU B 14 -5.764 8.309 5.117 1.00 0.00 H new ATOM 0 HA GLU B 14 -8.470 8.141 5.924 1.00 0.00 H new ATOM 0 HB2 GLU B 14 -8.287 10.444 6.163 1.00 0.00 H new ATOM 0 HB3 GLU B 14 -6.615 9.938 6.306 1.00 0.00 H new ATOM 0 HG2 GLU B 14 -6.234 11.555 4.778 1.00 0.00 H new ATOM 0 HG3 GLU B 14 -6.738 10.336 3.624 1.00 0.00 H new ATOM 1269 N ALA B 15 -7.909 8.724 2.745 1.00 0.00 N ATOM 1270 CA ALA B 15 -8.480 8.827 1.405 1.00 0.00 C ATOM 1271 C ALA B 15 -9.080 7.531 0.882 1.00 0.00 C ATOM 1272 O ALA B 15 -10.072 7.555 0.152 1.00 0.00 O ATOM 1273 CB ALA B 15 -7.389 9.273 0.445 1.00 0.00 C ATOM 0 H ALA B 15 -6.889 8.721 2.754 1.00 0.00 H new ATOM 0 HA ALA B 15 -9.296 9.546 1.471 1.00 0.00 H new ATOM 0 HB1 ALA B 15 -7.801 9.355 -0.561 1.00 0.00 H new ATOM 0 HB2 ALA B 15 -7.002 10.243 0.759 1.00 0.00 H new ATOM 0 HB3 ALA B 15 -6.581 8.542 0.448 1.00 0.00 H new ATOM 1279 N VAL B 16 -8.498 6.400 1.239 1.00 0.00 N ATOM 1280 CA VAL B 16 -8.977 5.148 0.715 1.00 0.00 C ATOM 1281 C VAL B 16 -10.084 4.586 1.541 1.00 0.00 C ATOM 1282 O VAL B 16 -11.093 4.116 1.012 1.00 0.00 O ATOM 1283 CB VAL B 16 -7.856 4.118 0.533 1.00 0.00 C ATOM 1284 CG1 VAL B 16 -6.836 4.237 1.642 1.00 0.00 C ATOM 1285 CG2 VAL B 16 -8.422 2.706 0.445 1.00 0.00 C ATOM 0 H VAL B 16 -7.707 6.329 1.879 1.00 0.00 H new ATOM 0 HA VAL B 16 -9.375 5.369 -0.275 1.00 0.00 H new ATOM 0 HB VAL B 16 -7.349 4.327 -0.409 1.00 0.00 H new ATOM 0 HG11 VAL B 16 -6.049 3.497 1.494 1.00 0.00 H new ATOM 0 HG12 VAL B 16 -6.401 5.236 1.631 1.00 0.00 H new ATOM 0 HG13 VAL B 16 -7.321 4.063 2.603 1.00 0.00 H new ATOM 0 HG21 VAL B 16 -7.606 1.994 0.316 1.00 0.00 H new ATOM 0 HG22 VAL B 16 -8.965 2.474 1.361 1.00 0.00 H new ATOM 0 HG23 VAL B 16 -9.100 2.638 -0.405 1.00 0.00 H new ATOM 1295 N ARG B 17 -9.899 4.624 2.832 1.00 0.00 N ATOM 1296 CA ARG B 17 -10.899 4.107 3.711 1.00 0.00 C ATOM 1297 C ARG B 17 -12.230 4.744 3.441 1.00 0.00 C ATOM 1298 O ARG B 17 -13.278 4.091 3.500 1.00 0.00 O ATOM 1299 CB ARG B 17 -10.455 4.224 5.156 1.00 0.00 C ATOM 1300 CG ARG B 17 -9.184 3.443 5.435 1.00 0.00 C ATOM 1301 CD ARG B 17 -9.013 2.259 4.489 1.00 0.00 C ATOM 1302 NE ARG B 17 -7.718 2.228 3.884 1.00 0.00 N ATOM 1303 CZ ARG B 17 -7.416 1.403 2.928 1.00 0.00 C ATOM 1304 NH1 ARG B 17 -8.191 0.372 2.654 1.00 0.00 N ATOM 1305 NH2 ARG B 17 -6.320 1.581 2.265 1.00 0.00 N ATOM 0 H ARG B 17 -9.072 5.005 3.291 1.00 0.00 H new ATOM 0 HA ARG B 17 -11.029 3.042 3.517 1.00 0.00 H new ATOM 0 HB2 ARG B 17 -10.294 5.274 5.400 1.00 0.00 H new ATOM 0 HB3 ARG B 17 -11.250 3.863 5.808 1.00 0.00 H new ATOM 0 HG2 ARG B 17 -8.324 4.107 5.342 1.00 0.00 H new ATOM 0 HG3 ARG B 17 -9.199 3.084 6.464 1.00 0.00 H new ATOM 0 HD2 ARG B 17 -9.177 1.332 5.038 1.00 0.00 H new ATOM 0 HD3 ARG B 17 -9.774 2.307 3.710 1.00 0.00 H new ATOM 0 HE ARG B 17 -7.005 2.878 4.216 1.00 0.00 H new ATOM 0 HH11 ARG B 17 -9.041 0.214 3.196 1.00 0.00 H new ATOM 0 HH12 ARG B 17 -7.941 -0.268 1.900 1.00 0.00 H new ATOM 0 HH21 ARG B 17 -5.705 2.362 2.496 1.00 0.00 H new ATOM 0 HH22 ARG B 17 -6.070 0.941 1.511 1.00 0.00 H new ATOM 1319 N VAL B 18 -12.198 5.994 3.082 1.00 0.00 N ATOM 1320 CA VAL B 18 -13.419 6.663 2.779 1.00 0.00 C ATOM 1321 C VAL B 18 -13.924 6.229 1.411 1.00 0.00 C ATOM 1322 O VAL B 18 -15.107 6.015 1.237 1.00 0.00 O ATOM 1323 CB VAL B 18 -13.247 8.188 2.819 1.00 0.00 C ATOM 1324 CG1 VAL B 18 -12.683 8.600 4.169 1.00 0.00 C ATOM 1325 CG2 VAL B 18 -12.348 8.661 1.683 1.00 0.00 C ATOM 0 H VAL B 18 -11.353 6.559 2.994 1.00 0.00 H new ATOM 0 HA VAL B 18 -14.151 6.389 3.538 1.00 0.00 H new ATOM 0 HB VAL B 18 -14.220 8.660 2.685 1.00 0.00 H new ATOM 0 HG11 VAL B 18 -12.561 9.683 4.197 1.00 0.00 H new ATOM 0 HG12 VAL B 18 -13.368 8.291 4.959 1.00 0.00 H new ATOM 0 HG13 VAL B 18 -11.715 8.122 4.320 1.00 0.00 H new ATOM 0 HG21 VAL B 18 -12.240 9.745 1.731 1.00 0.00 H new ATOM 0 HG22 VAL B 18 -11.367 8.194 1.777 1.00 0.00 H new ATOM 0 HG23 VAL B 18 -12.792 8.383 0.727 1.00 0.00 H new ATOM 1335 N PHE B 19 -13.014 6.010 0.465 1.00 0.00 N ATOM 1336 CA PHE B 19 -13.411 5.663 -0.889 1.00 0.00 C ATOM 1337 C PHE B 19 -14.060 4.269 -1.021 1.00 0.00 C ATOM 1338 O PHE B 19 -15.141 4.143 -1.628 1.00 0.00 O ATOM 1339 CB PHE B 19 -12.223 5.925 -1.866 1.00 0.00 C ATOM 1340 CG PHE B 19 -11.279 4.787 -2.215 1.00 0.00 C ATOM 1341 CD1 PHE B 19 -11.728 3.529 -2.536 1.00 0.00 C ATOM 1342 CD2 PHE B 19 -9.917 5.018 -2.252 1.00 0.00 C ATOM 1343 CE1 PHE B 19 -10.847 2.519 -2.865 1.00 0.00 C ATOM 1344 CE2 PHE B 19 -9.027 4.015 -2.578 1.00 0.00 C ATOM 1345 CZ PHE B 19 -9.495 2.761 -2.880 1.00 0.00 C ATOM 0 H PHE B 19 -12.006 6.067 0.613 1.00 0.00 H new ATOM 0 HA PHE B 19 -14.227 6.323 -1.182 1.00 0.00 H new ATOM 0 HB2 PHE B 19 -12.644 6.299 -2.799 1.00 0.00 H new ATOM 0 HB3 PHE B 19 -11.622 6.730 -1.442 1.00 0.00 H new ATOM 0 HD1 PHE B 19 -12.789 3.327 -2.531 1.00 0.00 H new ATOM 0 HD2 PHE B 19 -9.541 6.004 -2.021 1.00 0.00 H new ATOM 0 HE1 PHE B 19 -11.221 1.536 -3.111 1.00 0.00 H new ATOM 0 HE2 PHE B 19 -7.966 4.216 -2.595 1.00 0.00 H new ATOM 0 HZ PHE B 19 -8.804 1.969 -3.128 1.00 0.00 H new ATOM 1355 N THR B 20 -13.488 3.215 -0.432 1.00 0.00 N ATOM 1356 CA THR B 20 -14.099 1.909 -0.630 1.00 0.00 C ATOM 1357 C THR B 20 -15.341 1.716 0.206 1.00 0.00 C ATOM 1358 O THR B 20 -16.365 1.315 -0.322 1.00 0.00 O ATOM 1359 CB THR B 20 -13.177 0.713 -0.392 1.00 0.00 C ATOM 1360 OG1 THR B 20 -11.959 0.856 -1.112 1.00 0.00 O ATOM 1361 CG2 THR B 20 -13.890 -0.545 -0.814 1.00 0.00 C ATOM 0 H THR B 20 -12.652 3.237 0.152 1.00 0.00 H new ATOM 0 HA THR B 20 -14.350 1.925 -1.691 1.00 0.00 H new ATOM 0 HB THR B 20 -12.929 0.659 0.668 1.00 0.00 H new ATOM 0 HG1 THR B 20 -11.925 1.745 -1.524 1.00 0.00 H new ATOM 0 HG21 THR B 20 -13.240 -1.404 -0.648 1.00 0.00 H new ATOM 0 HG22 THR B 20 -14.802 -0.661 -0.228 1.00 0.00 H new ATOM 0 HG23 THR B 20 -14.145 -0.481 -1.872 1.00 0.00 H new ATOM 1369 N GLN B 21 -15.290 1.983 1.502 1.00 0.00 N ATOM 1370 CA GLN B 21 -16.482 1.775 2.286 1.00 0.00 C ATOM 1371 C GLN B 21 -17.591 2.659 1.775 1.00 0.00 C ATOM 1372 O GLN B 21 -18.756 2.442 2.080 1.00 0.00 O ATOM 1373 CB GLN B 21 -16.233 1.956 3.762 1.00 0.00 C ATOM 1374 CG GLN B 21 -16.150 0.623 4.507 1.00 0.00 C ATOM 1375 CD GLN B 21 -15.276 -0.422 3.819 1.00 0.00 C ATOM 1376 OE1 GLN B 21 -14.172 -0.701 4.265 1.00 0.00 O ATOM 1377 NE2 GLN B 21 -15.762 -1.019 2.732 1.00 0.00 N ATOM 0 H GLN B 21 -14.474 2.328 2.008 1.00 0.00 H new ATOM 0 HA GLN B 21 -16.795 0.737 2.169 1.00 0.00 H new ATOM 0 HB2 GLN B 21 -15.304 2.508 3.906 1.00 0.00 H new ATOM 0 HB3 GLN B 21 -17.033 2.560 4.191 1.00 0.00 H new ATOM 0 HG2 GLN B 21 -15.762 0.803 5.509 1.00 0.00 H new ATOM 0 HG3 GLN B 21 -17.156 0.220 4.623 1.00 0.00 H new ATOM 0 HE21 GLN B 21 -16.686 -0.767 2.382 1.00 0.00 H new ATOM 0 HE22 GLN B 21 -15.210 -1.728 2.250 1.00 0.00 H new ATOM 1386 N LEU B 22 -17.231 3.667 0.989 1.00 0.00 N ATOM 1387 CA LEU B 22 -18.243 4.498 0.385 1.00 0.00 C ATOM 1388 C LEU B 22 -19.103 3.568 -0.444 1.00 0.00 C ATOM 1389 O LEU B 22 -20.325 3.683 -0.470 1.00 0.00 O ATOM 1390 CB LEU B 22 -17.633 5.600 -0.490 1.00 0.00 C ATOM 1391 CG LEU B 22 -17.351 6.949 0.202 1.00 0.00 C ATOM 1392 CD1 LEU B 22 -18.117 8.064 -0.487 1.00 0.00 C ATOM 1393 CD2 LEU B 22 -17.679 6.919 1.698 1.00 0.00 C ATOM 0 H LEU B 22 -16.268 3.918 0.764 1.00 0.00 H new ATOM 0 HA LEU B 22 -18.824 5.014 1.149 1.00 0.00 H new ATOM 0 HB2 LEU B 22 -16.697 5.227 -0.905 1.00 0.00 H new ATOM 0 HB3 LEU B 22 -18.305 5.781 -1.329 1.00 0.00 H new ATOM 0 HG LEU B 22 -16.281 7.139 0.114 1.00 0.00 H new ATOM 0 HD11 LEU B 22 -17.909 9.011 0.012 1.00 0.00 H new ATOM 0 HD12 LEU B 22 -17.807 8.128 -1.530 1.00 0.00 H new ATOM 0 HD13 LEU B 22 -19.186 7.855 -0.438 1.00 0.00 H new ATOM 0 HD21 LEU B 22 -17.463 7.893 2.138 1.00 0.00 H new ATOM 0 HD22 LEU B 22 -18.735 6.686 1.834 1.00 0.00 H new ATOM 0 HD23 LEU B 22 -17.073 6.157 2.188 1.00 0.00 H new ATOM 1405 N SER B 23 -18.430 2.637 -1.124 1.00 0.00 N ATOM 1406 CA SER B 23 -19.113 1.620 -1.917 1.00 0.00 C ATOM 1407 C SER B 23 -19.901 0.631 -1.032 1.00 0.00 C ATOM 1408 O SER B 23 -21.111 0.472 -1.189 1.00 0.00 O ATOM 1409 CB SER B 23 -18.085 0.834 -2.716 1.00 0.00 C ATOM 1410 OG SER B 23 -17.352 -0.010 -1.856 1.00 0.00 O ATOM 0 H SER B 23 -17.412 2.569 -1.140 1.00 0.00 H new ATOM 0 HA SER B 23 -19.816 2.132 -2.574 1.00 0.00 H new ATOM 0 HB2 SER B 23 -18.583 0.242 -3.483 1.00 0.00 H new ATOM 0 HB3 SER B 23 -17.410 1.519 -3.230 1.00 0.00 H new ATOM 0 HG SER B 23 -16.638 0.504 -1.424 1.00 0.00 H new ATOM 1416 N SER B 24 -19.200 -0.057 -0.120 1.00 0.00 N ATOM 1417 CA SER B 24 -19.835 -1.045 0.760 1.00 0.00 C ATOM 1418 C SER B 24 -20.909 -0.421 1.630 1.00 0.00 C ATOM 1419 O SER B 24 -22.074 -0.813 1.565 1.00 0.00 O ATOM 1420 CB SER B 24 -18.802 -1.730 1.652 1.00 0.00 C ATOM 1421 OG SER B 24 -18.506 -0.949 2.797 1.00 0.00 O ATOM 0 H SER B 24 -18.197 0.053 0.027 1.00 0.00 H new ATOM 0 HA SER B 24 -20.302 -1.785 0.110 1.00 0.00 H new ATOM 0 HB2 SER B 24 -19.177 -2.705 1.962 1.00 0.00 H new ATOM 0 HB3 SER B 24 -17.888 -1.906 1.084 1.00 0.00 H new ATOM 0 HG SER B 24 -18.263 -1.539 3.541 1.00 0.00 H new ATOM 1427 N ALA B 25 -20.505 0.541 2.454 1.00 0.00 N ATOM 1428 CA ALA B 25 -21.430 1.216 3.341 1.00 0.00 C ATOM 1429 C ALA B 25 -22.645 1.665 2.550 1.00 0.00 C ATOM 1430 O ALA B 25 -23.764 1.681 3.056 1.00 0.00 O ATOM 1431 CB ALA B 25 -20.746 2.396 4.032 1.00 0.00 C ATOM 0 H ALA B 25 -19.541 0.867 2.522 1.00 0.00 H new ATOM 0 HA ALA B 25 -21.757 0.528 4.121 1.00 0.00 H new ATOM 0 HB1 ALA B 25 -21.456 2.891 4.694 1.00 0.00 H new ATOM 0 HB2 ALA B 25 -19.898 2.035 4.614 1.00 0.00 H new ATOM 0 HB3 ALA B 25 -20.396 3.104 3.281 1.00 0.00 H new ATOM 1437 N ALA B 26 -22.410 1.992 1.282 1.00 0.00 N ATOM 1438 CA ALA B 26 -23.480 2.432 0.395 1.00 0.00 C ATOM 1439 C ALA B 26 -24.566 1.371 0.259 1.00 0.00 C ATOM 1440 O ALA B 26 -25.753 1.698 0.289 1.00 0.00 O ATOM 1441 CB ALA B 26 -22.937 2.805 -0.979 1.00 0.00 C ATOM 0 H ALA B 26 -21.488 1.960 0.847 1.00 0.00 H new ATOM 0 HA ALA B 26 -23.925 3.319 0.846 1.00 0.00 H new ATOM 0 HB1 ALA B 26 -23.758 3.129 -1.619 1.00 0.00 H new ATOM 0 HB2 ALA B 26 -22.215 3.615 -0.877 1.00 0.00 H new ATOM 0 HB3 ALA B 26 -22.450 1.938 -1.425 1.00 0.00 H new ATOM 1447 N ASN B 27 -24.174 0.100 0.118 1.00 0.00 N ATOM 1448 CA ASN B 27 -25.173 -0.960 -0.030 1.00 0.00 C ATOM 1449 C ASN B 27 -24.601 -2.383 0.007 1.00 0.00 C ATOM 1450 O ASN B 27 -25.304 -3.307 0.417 1.00 0.00 O ATOM 1451 CB ASN B 27 -25.948 -0.767 -1.337 1.00 0.00 C ATOM 1452 CG ASN B 27 -25.095 -0.987 -2.576 1.00 0.00 C ATOM 1453 OD1 ASN B 27 -23.795 -0.734 -2.467 1.00 0.00 O flip ATOM 1454 ND2 ASN B 27 -25.604 -1.384 -3.624 1.00 0.00 N flip ATOM 0 H ASN B 27 -23.203 -0.212 0.103 1.00 0.00 H new ATOM 0 HA ASN B 27 -25.827 -0.868 0.837 1.00 0.00 H new ATOM 0 HB2 ASN B 27 -26.792 -1.457 -1.357 1.00 0.00 H new ATOM 0 HB3 ASN B 27 -26.361 0.242 -1.362 1.00 0.00 H new ATOM 0 HD21 ASN B 27 -26.607 -1.567 -3.667 1.00 0.00 H new ATOM 0 HD22 ASN B 27 -25.023 -1.530 -4.450 1.00 0.00 H new ATOM 1461 N CYS B 28 -23.342 -2.581 -0.400 1.00 0.00 N ATOM 1462 CA CYS B 28 -22.782 -3.936 -0.429 1.00 0.00 C ATOM 1463 C CYS B 28 -21.312 -3.961 -0.844 1.00 0.00 C ATOM 1464 O CYS B 28 -20.791 -2.992 -1.371 1.00 0.00 O ATOM 1465 CB CYS B 28 -23.603 -4.784 -1.407 1.00 0.00 C ATOM 1466 SG CYS B 28 -22.688 -6.114 -2.245 1.00 0.00 S ATOM 0 H CYS B 28 -22.707 -1.843 -0.706 1.00 0.00 H new ATOM 0 HA CYS B 28 -22.833 -4.339 0.583 1.00 0.00 H new ATOM 0 HB2 CYS B 28 -24.438 -5.227 -0.865 1.00 0.00 H new ATOM 0 HB3 CYS B 28 -24.028 -4.125 -2.164 1.00 0.00 H new ATOM 1471 N ASP B 29 -20.657 -5.091 -0.580 1.00 0.00 N ATOM 1472 CA ASP B 29 -19.252 -5.301 -0.941 1.00 0.00 C ATOM 1473 C ASP B 29 -19.113 -6.477 -1.913 1.00 0.00 C ATOM 1474 O ASP B 29 -19.930 -7.397 -1.881 1.00 0.00 O ATOM 1475 CB ASP B 29 -18.430 -5.590 0.316 1.00 0.00 C ATOM 1476 CG ASP B 29 -19.229 -6.330 1.372 1.00 0.00 C ATOM 1477 OD1 ASP B 29 -19.925 -5.663 2.166 1.00 0.00 O ATOM 1478 OD2 ASP B 29 -19.160 -7.578 1.403 1.00 0.00 O ATOM 0 H ASP B 29 -21.084 -5.889 -0.109 1.00 0.00 H new ATOM 0 HA ASP B 29 -18.884 -4.396 -1.424 1.00 0.00 H new ATOM 0 HB2 ASP B 29 -17.555 -6.181 0.046 1.00 0.00 H new ATOM 0 HB3 ASP B 29 -18.065 -4.651 0.732 1.00 0.00 H new ATOM 1483 N TRP B 30 -18.088 -6.462 -2.781 1.00 0.00 N ATOM 1484 CA TRP B 30 -17.908 -7.580 -3.708 1.00 0.00 C ATOM 1485 C TRP B 30 -17.479 -8.801 -2.901 1.00 0.00 C ATOM 1486 O TRP B 30 -18.017 -9.894 -3.076 1.00 0.00 O ATOM 1487 CB TRP B 30 -16.909 -7.273 -4.860 1.00 0.00 C ATOM 1488 CG TRP B 30 -15.599 -6.712 -4.445 1.00 0.00 C ATOM 1489 CD1 TRP B 30 -14.616 -7.285 -3.698 1.00 0.00 C ATOM 1490 CD2 TRP B 30 -15.131 -5.433 -4.817 1.00 0.00 C ATOM 1491 NE1 TRP B 30 -13.584 -6.392 -3.533 1.00 0.00 N ATOM 1492 CE2 TRP B 30 -13.890 -5.243 -4.218 1.00 0.00 C ATOM 1493 CE3 TRP B 30 -15.673 -4.416 -5.586 1.00 0.00 C ATOM 1494 CZ2 TRP B 30 -13.184 -4.064 -4.366 1.00 0.00 C ATOM 1495 CZ3 TRP B 30 -14.977 -3.252 -5.742 1.00 0.00 C ATOM 1496 CH2 TRP B 30 -13.746 -3.074 -5.134 1.00 0.00 C ATOM 0 H TRP B 30 -17.397 -5.716 -2.857 1.00 0.00 H new ATOM 0 HA TRP B 30 -18.857 -7.771 -4.208 1.00 0.00 H new ATOM 0 HB2 TRP B 30 -16.729 -8.194 -5.415 1.00 0.00 H new ATOM 0 HB3 TRP B 30 -17.381 -6.573 -5.549 1.00 0.00 H new ATOM 0 HD1 TRP B 30 -14.643 -8.287 -3.297 1.00 0.00 H new ATOM 0 HE1 TRP B 30 -12.734 -6.556 -2.993 1.00 0.00 H new ATOM 0 HE3 TRP B 30 -16.636 -4.543 -6.057 1.00 0.00 H new ATOM 0 HZ2 TRP B 30 -12.223 -3.926 -3.894 1.00 0.00 H new ATOM 0 HZ3 TRP B 30 -15.392 -2.460 -6.347 1.00 0.00 H new ATOM 0 HH2 TRP B 30 -13.219 -2.141 -5.266 1.00 0.00 H new ATOM 1507 N ALA B 31 -16.524 -8.573 -1.989 1.00 0.00 N ATOM 1508 CA ALA B 31 -16.008 -9.598 -1.083 1.00 0.00 C ATOM 1509 C ALA B 31 -15.179 -10.654 -1.813 1.00 0.00 C ATOM 1510 O ALA B 31 -14.114 -11.061 -1.349 1.00 0.00 O ATOM 1511 CB ALA B 31 -17.158 -10.244 -0.336 1.00 0.00 C ATOM 0 H ALA B 31 -16.086 -7.661 -1.861 1.00 0.00 H new ATOM 0 HA ALA B 31 -15.340 -9.110 -0.373 1.00 0.00 H new ATOM 0 HB1 ALA B 31 -16.771 -11.008 0.339 1.00 0.00 H new ATOM 0 HB2 ALA B 31 -17.689 -9.486 0.240 1.00 0.00 H new ATOM 0 HB3 ALA B 31 -17.843 -10.703 -1.049 1.00 0.00 H new ATOM 1517 N ALA B 32 -15.676 -11.092 -2.951 1.00 0.00 N ATOM 1518 CA ALA B 32 -14.993 -12.104 -3.741 1.00 0.00 C ATOM 1519 C ALA B 32 -13.722 -11.546 -4.370 1.00 0.00 C ATOM 1520 O ALA B 32 -12.674 -12.198 -4.370 1.00 0.00 O ATOM 1521 CB ALA B 32 -15.921 -12.650 -4.814 1.00 0.00 C ATOM 0 H ALA B 32 -16.554 -10.764 -3.354 1.00 0.00 H new ATOM 0 HA ALA B 32 -14.708 -12.918 -3.075 1.00 0.00 H new ATOM 0 HB1 ALA B 32 -15.397 -13.407 -5.398 1.00 0.00 H new ATOM 0 HB2 ALA B 32 -16.797 -13.097 -4.344 1.00 0.00 H new ATOM 0 HB3 ALA B 32 -16.235 -11.839 -5.470 1.00 0.00 H new ATOM 1527 N CYS B 33 -13.815 -10.330 -4.894 1.00 0.00 N ATOM 1528 CA CYS B 33 -12.675 -9.698 -5.539 1.00 0.00 C ATOM 1529 C CYS B 33 -11.570 -9.375 -4.553 1.00 0.00 C ATOM 1530 O CYS B 33 -10.415 -9.660 -4.807 1.00 0.00 O ATOM 1531 CB CYS B 33 -13.085 -8.428 -6.266 1.00 0.00 C ATOM 1532 SG CYS B 33 -12.504 -8.361 -7.995 1.00 0.00 S ATOM 0 H CYS B 33 -14.664 -9.765 -4.884 1.00 0.00 H new ATOM 0 HA CYS B 33 -12.294 -10.419 -6.262 1.00 0.00 H new ATOM 0 HB2 CYS B 33 -14.172 -8.345 -6.253 1.00 0.00 H new ATOM 0 HB3 CYS B 33 -12.693 -7.566 -5.725 1.00 0.00 H new ATOM 1537 N LEU B 34 -11.908 -8.776 -3.428 1.00 0.00 N ATOM 1538 CA LEU B 34 -10.882 -8.434 -2.462 1.00 0.00 C ATOM 1539 C LEU B 34 -10.048 -9.654 -2.125 1.00 0.00 C ATOM 1540 O LEU B 34 -8.836 -9.555 -1.946 1.00 0.00 O ATOM 1541 CB LEU B 34 -11.483 -7.806 -1.221 1.00 0.00 C ATOM 1542 CG LEU B 34 -12.822 -8.385 -0.809 1.00 0.00 C ATOM 1543 CD1 LEU B 34 -12.632 -9.385 0.313 1.00 0.00 C ATOM 1544 CD2 LEU B 34 -13.765 -7.283 -0.390 1.00 0.00 C ATOM 0 H LEU B 34 -12.860 -8.521 -3.164 1.00 0.00 H new ATOM 0 HA LEU B 34 -10.223 -7.689 -2.908 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -10.782 -7.922 -0.395 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -11.601 -6.736 -1.391 1.00 0.00 H new ATOM 0 HG LEU B 34 -13.261 -8.902 -1.662 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -13.599 -9.796 0.602 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -11.982 -10.192 -0.025 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -12.178 -8.888 1.170 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -14.722 -7.715 -0.097 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -13.338 -6.740 0.454 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -13.916 -6.597 -1.224 1.00 0.00 H new ATOM 1556 N SER B 35 -10.693 -10.809 -2.044 1.00 0.00 N ATOM 1557 CA SER B 35 -9.966 -12.039 -1.794 1.00 0.00 C ATOM 1558 C SER B 35 -8.897 -12.183 -2.869 1.00 0.00 C ATOM 1559 O SER B 35 -7.782 -12.622 -2.610 1.00 0.00 O ATOM 1560 CB SER B 35 -10.911 -13.238 -1.833 1.00 0.00 C ATOM 1561 OG SER B 35 -11.943 -13.107 -0.871 1.00 0.00 O ATOM 0 H SER B 35 -11.702 -10.917 -2.146 1.00 0.00 H new ATOM 0 HA SER B 35 -9.509 -12.004 -0.805 1.00 0.00 H new ATOM 0 HB2 SER B 35 -11.347 -13.329 -2.828 1.00 0.00 H new ATOM 0 HB3 SER B 35 -10.350 -14.153 -1.646 1.00 0.00 H new ATOM 0 HG SER B 35 -12.570 -12.410 -1.156 1.00 0.00 H new ATOM 1567 N SER B 36 -9.276 -11.781 -4.083 1.00 0.00 N ATOM 1568 CA SER B 36 -8.393 -11.822 -5.253 1.00 0.00 C ATOM 1569 C SER B 36 -7.039 -11.144 -4.984 1.00 0.00 C ATOM 1570 O SER B 36 -5.997 -11.676 -5.361 1.00 0.00 O ATOM 1571 CB SER B 36 -9.088 -11.163 -6.451 1.00 0.00 C ATOM 1572 OG SER B 36 -8.685 -11.759 -7.672 1.00 0.00 O ATOM 0 H SER B 36 -10.207 -11.416 -4.285 1.00 0.00 H new ATOM 0 HA SER B 36 -8.189 -12.869 -5.476 1.00 0.00 H new ATOM 0 HB2 SER B 36 -10.169 -11.251 -6.340 1.00 0.00 H new ATOM 0 HB3 SER B 36 -8.855 -10.098 -6.469 1.00 0.00 H new ATOM 0 HG SER B 36 -9.145 -11.320 -8.418 1.00 0.00 H new ATOM 1578 N LEU B 37 -7.045 -9.964 -4.352 1.00 0.00 N ATOM 1579 CA LEU B 37 -5.783 -9.275 -4.038 1.00 0.00 C ATOM 1580 C LEU B 37 -5.092 -10.077 -2.969 1.00 0.00 C ATOM 1581 O LEU B 37 -3.907 -10.381 -3.058 1.00 0.00 O ATOM 1582 CB LEU B 37 -5.978 -7.836 -3.539 1.00 0.00 C ATOM 1583 CG LEU B 37 -4.770 -7.248 -2.804 1.00 0.00 C ATOM 1584 CD1 LEU B 37 -3.602 -7.063 -3.758 1.00 0.00 C ATOM 1585 CD2 LEU B 37 -5.118 -5.942 -2.110 1.00 0.00 C ATOM 0 H LEU B 37 -7.888 -9.474 -4.053 1.00 0.00 H new ATOM 0 HA LEU B 37 -5.197 -9.204 -4.955 1.00 0.00 H new ATOM 0 HB2 LEU B 37 -6.214 -7.199 -4.391 1.00 0.00 H new ATOM 0 HB3 LEU B 37 -6.840 -7.810 -2.873 1.00 0.00 H new ATOM 0 HG LEU B 37 -4.474 -7.957 -2.031 1.00 0.00 H new ATOM 0 HD11 LEU B 37 -2.753 -6.644 -3.217 1.00 0.00 H new ATOM 0 HD12 LEU B 37 -3.322 -8.027 -4.182 1.00 0.00 H new ATOM 0 HD13 LEU B 37 -3.892 -6.384 -4.560 1.00 0.00 H new ATOM 0 HD21 LEU B 37 -4.236 -5.555 -1.599 1.00 0.00 H new ATOM 0 HD22 LEU B 37 -5.457 -5.216 -2.849 1.00 0.00 H new ATOM 0 HD23 LEU B 37 -5.911 -6.116 -1.383 1.00 0.00 H new ATOM 1597 N SER B 38 -5.867 -10.415 -1.952 1.00 0.00 N ATOM 1598 CA SER B 38 -5.382 -11.224 -0.860 1.00 0.00 C ATOM 1599 C SER B 38 -5.231 -12.671 -1.333 1.00 0.00 C ATOM 1600 O SER B 38 -5.132 -13.590 -0.531 1.00 0.00 O ATOM 1601 CB SER B 38 -6.348 -11.141 0.323 1.00 0.00 C ATOM 1602 OG SER B 38 -7.360 -12.128 0.229 1.00 0.00 O ATOM 0 H SER B 38 -6.844 -10.135 -1.865 1.00 0.00 H new ATOM 0 HA SER B 38 -4.410 -10.854 -0.533 1.00 0.00 H new ATOM 0 HB2 SER B 38 -5.797 -11.269 1.255 1.00 0.00 H new ATOM 0 HB3 SER B 38 -6.804 -10.151 0.355 1.00 0.00 H new ATOM 0 HG SER B 38 -7.548 -12.314 -0.714 1.00 0.00 H new ATOM 1608 N ALA B 39 -5.254 -12.853 -2.657 1.00 0.00 N ATOM 1609 CA ALA B 39 -5.101 -14.169 -3.268 1.00 0.00 C ATOM 1610 C ALA B 39 -3.788 -14.241 -4.038 1.00 0.00 C ATOM 1611 O ALA B 39 -2.961 -15.105 -3.753 1.00 0.00 O ATOM 1612 CB ALA B 39 -6.275 -14.475 -4.187 1.00 0.00 C ATOM 0 H ALA B 39 -5.379 -12.095 -3.328 1.00 0.00 H new ATOM 0 HA ALA B 39 -5.084 -14.918 -2.477 1.00 0.00 H new ATOM 0 HB1 ALA B 39 -6.141 -15.461 -4.632 1.00 0.00 H new ATOM 0 HB2 ALA B 39 -7.201 -14.459 -3.612 1.00 0.00 H new ATOM 0 HB3 ALA B 39 -6.325 -13.724 -4.976 1.00 0.00 H new ATOM 1618 N SER B 40 -3.631 -13.325 -5.017 1.00 0.00 N ATOM 1619 CA SER B 40 -2.417 -13.212 -5.852 1.00 0.00 C ATOM 1620 C SER B 40 -2.744 -12.816 -7.287 1.00 0.00 C ATOM 1621 O SER B 40 -3.563 -13.453 -7.950 1.00 0.00 O ATOM 1622 CB SER B 40 -1.605 -14.510 -5.893 1.00 0.00 C ATOM 1623 OG SER B 40 -2.378 -15.579 -6.412 1.00 0.00 O ATOM 0 H SER B 40 -4.348 -12.639 -5.251 1.00 0.00 H new ATOM 0 HA SER B 40 -1.822 -12.431 -5.378 1.00 0.00 H new ATOM 0 HB2 SER B 40 -0.716 -14.368 -6.508 1.00 0.00 H new ATOM 0 HB3 SER B 40 -1.261 -14.759 -4.889 1.00 0.00 H new ATOM 0 HG SER B 40 -2.977 -15.241 -7.110 1.00 0.00 H new ATOM 1629 N SER B 41 -2.094 -11.753 -7.755 1.00 0.00 N ATOM 1630 CA SER B 41 -2.254 -11.295 -9.128 1.00 0.00 C ATOM 1631 C SER B 41 -0.879 -11.147 -9.745 1.00 0.00 C ATOM 1632 O SER B 41 0.034 -10.613 -9.121 1.00 0.00 O ATOM 1633 CB SER B 41 -3.000 -9.962 -9.214 1.00 0.00 C ATOM 1634 OG SER B 41 -3.751 -9.876 -10.412 1.00 0.00 O ATOM 0 H SER B 41 -1.449 -11.192 -7.198 1.00 0.00 H new ATOM 0 HA SER B 41 -2.850 -12.031 -9.667 1.00 0.00 H new ATOM 0 HB2 SER B 41 -3.664 -9.857 -8.356 1.00 0.00 H new ATOM 0 HB3 SER B 41 -2.287 -9.139 -9.168 1.00 0.00 H new ATOM 0 HG SER B 41 -4.220 -9.016 -10.443 1.00 0.00 H new ATOM 1640 N ALA B 42 -0.740 -11.611 -10.972 1.00 0.00 N ATOM 1641 CA ALA B 42 0.536 -11.545 -11.677 1.00 0.00 C ATOM 1642 C ALA B 42 1.019 -10.106 -11.788 1.00 0.00 C ATOM 1643 O ALA B 42 2.154 -9.842 -12.189 1.00 0.00 O ATOM 1644 CB ALA B 42 0.404 -12.163 -13.057 1.00 0.00 C ATOM 0 H ALA B 42 -1.495 -12.040 -11.507 1.00 0.00 H new ATOM 0 HA ALA B 42 1.273 -12.109 -11.106 1.00 0.00 H new ATOM 0 HB1 ALA B 42 1.362 -12.108 -13.573 1.00 0.00 H new ATOM 0 HB2 ALA B 42 0.103 -13.206 -12.961 1.00 0.00 H new ATOM 0 HB3 ALA B 42 -0.348 -11.619 -13.629 1.00 0.00 H new ATOM 1650 N ALA B 43 0.147 -9.185 -11.413 1.00 0.00 N ATOM 1651 CA ALA B 43 0.440 -7.769 -11.495 1.00 0.00 C ATOM 1652 C ALA B 43 1.130 -7.229 -10.254 1.00 0.00 C ATOM 1653 O ALA B 43 2.240 -6.722 -10.349 1.00 0.00 O ATOM 1654 CB ALA B 43 -0.845 -7.006 -11.773 1.00 0.00 C ATOM 0 H ALA B 43 -0.780 -9.399 -11.045 1.00 0.00 H new ATOM 0 HA ALA B 43 1.144 -7.626 -12.315 1.00 0.00 H new ATOM 0 HB1 ALA B 43 -0.629 -5.940 -11.835 1.00 0.00 H new ATOM 0 HB2 ALA B 43 -1.273 -7.345 -12.716 1.00 0.00 H new ATOM 0 HB3 ALA B 43 -1.556 -7.185 -10.967 1.00 0.00 H new ATOM 1660 N CYS B 44 0.483 -7.336 -9.102 1.00 0.00 N ATOM 1661 CA CYS B 44 1.048 -6.813 -7.859 1.00 0.00 C ATOM 1662 C CYS B 44 2.546 -7.083 -7.741 1.00 0.00 C ATOM 1663 O CYS B 44 3.295 -6.271 -7.194 1.00 0.00 O ATOM 1664 CB CYS B 44 0.295 -7.363 -6.654 1.00 0.00 C ATOM 1665 SG CYS B 44 -0.819 -8.758 -7.018 1.00 0.00 S ATOM 0 H CYS B 44 -0.430 -7.778 -8.999 1.00 0.00 H new ATOM 0 HA CYS B 44 0.926 -5.730 -7.881 1.00 0.00 H new ATOM 0 HB2 CYS B 44 1.020 -7.682 -5.905 1.00 0.00 H new ATOM 0 HB3 CYS B 44 -0.289 -6.557 -6.210 1.00 0.00 H new ATOM 1670 N ILE B 45 2.980 -8.215 -8.255 1.00 0.00 N ATOM 1671 CA ILE B 45 4.389 -8.569 -8.212 1.00 0.00 C ATOM 1672 C ILE B 45 5.142 -7.919 -9.371 1.00 0.00 C ATOM 1673 O ILE B 45 6.203 -7.276 -9.193 1.00 0.00 O ATOM 1674 CB ILE B 45 4.598 -10.092 -8.229 1.00 0.00 C ATOM 1675 CG1 ILE B 45 3.306 -10.815 -7.838 1.00 0.00 C ATOM 1676 CG2 ILE B 45 5.723 -10.474 -7.278 1.00 0.00 C ATOM 1677 CD1 ILE B 45 2.692 -11.610 -8.970 1.00 0.00 C ATOM 0 H ILE B 45 2.381 -8.906 -8.707 1.00 0.00 H new ATOM 0 HA ILE B 45 4.790 -8.191 -7.271 1.00 0.00 H new ATOM 0 HB ILE B 45 4.871 -10.395 -9.240 1.00 0.00 H new ATOM 0 HG12 ILE B 45 3.513 -11.486 -7.004 1.00 0.00 H new ATOM 0 HG13 ILE B 45 2.581 -10.081 -7.485 1.00 0.00 H new ATOM 0 HG21 ILE B 45 5.864 -11.555 -7.297 1.00 0.00 H new ATOM 0 HG22 ILE B 45 6.645 -9.982 -7.589 1.00 0.00 H new ATOM 0 HG23 ILE B 45 5.467 -10.159 -6.266 1.00 0.00 H new ATOM 0 HD11 ILE B 45 1.780 -12.095 -8.621 1.00 0.00 H new ATOM 0 HD12 ILE B 45 2.453 -10.941 -9.797 1.00 0.00 H new ATOM 0 HD13 ILE B 45 3.399 -12.367 -9.308 1.00 0.00 H new ATOM 1689 N ALA B 46 4.568 -8.041 -10.564 1.00 0.00 N ATOM 1690 CA ALA B 46 5.192 -7.437 -11.735 1.00 0.00 C ATOM 1691 C ALA B 46 5.308 -5.955 -11.444 1.00 0.00 C ATOM 1692 O ALA B 46 6.092 -5.203 -12.035 1.00 0.00 O ATOM 1693 CB ALA B 46 4.368 -7.695 -12.987 1.00 0.00 C ATOM 0 H ALA B 46 3.696 -8.538 -10.743 1.00 0.00 H new ATOM 0 HA ALA B 46 6.174 -7.871 -11.924 1.00 0.00 H new ATOM 0 HB1 ALA B 46 4.856 -7.234 -13.845 1.00 0.00 H new ATOM 0 HB2 ALA B 46 4.283 -8.769 -13.152 1.00 0.00 H new ATOM 0 HB3 ALA B 46 3.373 -7.267 -12.862 1.00 0.00 H new ATOM 1699 N ALA B 47 4.509 -5.580 -10.466 1.00 0.00 N ATOM 1700 CA ALA B 47 4.424 -4.236 -9.983 1.00 0.00 C ATOM 1701 C ALA B 47 5.670 -3.857 -9.213 1.00 0.00 C ATOM 1702 O ALA B 47 6.242 -2.796 -9.449 1.00 0.00 O ATOM 1703 CB ALA B 47 3.208 -4.119 -9.094 1.00 0.00 C ATOM 0 H ALA B 47 3.888 -6.226 -9.979 1.00 0.00 H new ATOM 0 HA ALA B 47 4.337 -3.555 -10.829 1.00 0.00 H new ATOM 0 HB1 ALA B 47 3.129 -3.099 -8.718 1.00 0.00 H new ATOM 0 HB2 ALA B 47 2.314 -4.364 -9.667 1.00 0.00 H new ATOM 0 HB3 ALA B 47 3.303 -4.809 -8.255 1.00 0.00 H new ATOM 1709 N VAL B 48 6.094 -4.729 -8.291 1.00 0.00 N ATOM 1710 CA VAL B 48 7.278 -4.444 -7.483 1.00 0.00 C ATOM 1711 C VAL B 48 8.353 -3.838 -8.346 1.00 0.00 C ATOM 1712 O VAL B 48 9.104 -2.966 -7.914 1.00 0.00 O ATOM 1713 CB VAL B 48 7.873 -5.705 -6.827 1.00 0.00 C ATOM 1714 CG1 VAL B 48 8.841 -5.322 -5.718 1.00 0.00 C ATOM 1715 CG2 VAL B 48 6.786 -6.627 -6.303 1.00 0.00 C ATOM 0 H VAL B 48 5.642 -5.621 -8.090 1.00 0.00 H new ATOM 0 HA VAL B 48 6.953 -3.760 -6.699 1.00 0.00 H new ATOM 0 HB VAL B 48 8.423 -6.252 -7.593 1.00 0.00 H new ATOM 0 HG11 VAL B 48 9.252 -6.225 -5.266 1.00 0.00 H new ATOM 0 HG12 VAL B 48 9.652 -4.723 -6.133 1.00 0.00 H new ATOM 0 HG13 VAL B 48 8.314 -4.743 -4.959 1.00 0.00 H new ATOM 0 HG21 VAL B 48 7.243 -7.506 -5.847 1.00 0.00 H new ATOM 0 HG22 VAL B 48 6.190 -6.100 -5.558 1.00 0.00 H new ATOM 0 HG23 VAL B 48 6.144 -6.938 -7.127 1.00 0.00 H new ATOM 1725 N GLY B 49 8.428 -4.323 -9.566 1.00 0.00 N ATOM 1726 CA GLY B 49 9.429 -3.816 -10.490 1.00 0.00 C ATOM 1727 C GLY B 49 9.022 -2.575 -11.287 1.00 0.00 C ATOM 1728 O GLY B 49 9.884 -1.827 -11.739 1.00 0.00 O ATOM 0 H GLY B 49 7.823 -5.054 -9.940 1.00 0.00 H new ATOM 0 HA2 GLY B 49 10.333 -3.584 -9.927 1.00 0.00 H new ATOM 0 HA3 GLY B 49 9.685 -4.609 -11.192 1.00 0.00 H new ATOM 1732 N GLU B 50 7.725 -2.328 -11.438 1.00 0.00 N ATOM 1733 CA GLU B 50 7.253 -1.232 -12.300 1.00 0.00 C ATOM 1734 C GLU B 50 6.830 0.111 -11.640 1.00 0.00 C ATOM 1735 O GLU B 50 5.985 0.797 -12.200 1.00 0.00 O ATOM 1736 CB GLU B 50 6.179 -1.764 -13.233 1.00 0.00 C ATOM 1737 CG GLU B 50 6.732 -2.714 -14.277 1.00 0.00 C ATOM 1738 CD GLU B 50 7.513 -1.999 -15.363 1.00 0.00 C ATOM 1739 OE1 GLU B 50 8.729 -1.782 -15.175 1.00 0.00 O ATOM 1740 OE2 GLU B 50 6.909 -1.654 -16.400 1.00 0.00 O ATOM 0 H GLU B 50 6.983 -2.861 -10.984 1.00 0.00 H new ATOM 0 HA GLU B 50 8.148 -0.918 -12.838 1.00 0.00 H new ATOM 0 HB2 GLU B 50 5.416 -2.277 -12.648 1.00 0.00 H new ATOM 0 HB3 GLU B 50 5.689 -0.928 -13.731 1.00 0.00 H new ATOM 0 HG2 GLU B 50 7.379 -3.445 -13.791 1.00 0.00 H new ATOM 0 HG3 GLU B 50 5.910 -3.267 -14.731 1.00 0.00 H new ATOM 1747 N LEU B 51 7.296 0.425 -10.424 1.00 0.00 N ATOM 1748 CA LEU B 51 7.026 1.747 -9.775 1.00 0.00 C ATOM 1749 C LEU B 51 5.987 1.682 -8.690 1.00 0.00 C ATOM 1750 O LEU B 51 4.776 1.553 -8.951 1.00 0.00 O ATOM 1751 CB LEU B 51 6.686 2.858 -10.752 1.00 0.00 C ATOM 1752 CG LEU B 51 6.843 4.268 -10.175 1.00 0.00 C ATOM 1753 CD1 LEU B 51 8.312 4.621 -9.958 1.00 0.00 C ATOM 1754 CD2 LEU B 51 6.157 5.299 -11.059 1.00 0.00 C ATOM 0 H LEU B 51 7.862 -0.207 -9.858 1.00 0.00 H new ATOM 0 HA LEU B 51 7.980 1.999 -9.313 1.00 0.00 H new ATOM 0 HB2 LEU B 51 7.325 2.763 -11.630 1.00 0.00 H new ATOM 0 HB3 LEU B 51 5.658 2.728 -11.090 1.00 0.00 H new ATOM 0 HG LEU B 51 6.354 4.282 -9.201 1.00 0.00 H new ATOM 0 HD11 LEU B 51 8.387 5.628 -9.548 1.00 0.00 H new ATOM 0 HD12 LEU B 51 8.758 3.911 -9.261 1.00 0.00 H new ATOM 0 HD13 LEU B 51 8.841 4.576 -10.910 1.00 0.00 H new ATOM 0 HD21 LEU B 51 6.284 6.291 -10.626 1.00 0.00 H new ATOM 0 HD22 LEU B 51 6.601 5.278 -12.054 1.00 0.00 H new ATOM 0 HD23 LEU B 51 5.094 5.067 -11.131 1.00 0.00 H new ATOM 1766 N GLY B 52 6.514 1.798 -7.463 1.00 0.00 N ATOM 1767 CA GLY B 52 5.736 1.718 -6.250 1.00 0.00 C ATOM 1768 C GLY B 52 4.849 0.533 -6.311 1.00 0.00 C ATOM 1769 O GLY B 52 3.928 0.373 -5.514 1.00 0.00 O ATOM 0 H GLY B 52 7.509 1.952 -7.299 1.00 0.00 H new ATOM 0 HA2 GLY B 52 6.396 1.648 -5.386 1.00 0.00 H new ATOM 0 HA3 GLY B 52 5.143 2.624 -6.125 1.00 0.00 H new ATOM 1773 N LEU B 53 5.179 -0.287 -7.292 1.00 0.00 N ATOM 1774 CA LEU B 53 4.495 -1.495 -7.609 1.00 0.00 C ATOM 1775 C LEU B 53 3.492 -1.174 -8.698 1.00 0.00 C ATOM 1776 O LEU B 53 2.302 -1.447 -8.549 1.00 0.00 O ATOM 1777 CB LEU B 53 3.827 -2.155 -6.393 1.00 0.00 C ATOM 1778 CG LEU B 53 4.731 -2.496 -5.179 1.00 0.00 C ATOM 1779 CD1 LEU B 53 4.694 -3.982 -4.876 1.00 0.00 C ATOM 1780 CD2 LEU B 53 6.175 -2.035 -5.383 1.00 0.00 C ATOM 0 H LEU B 53 5.971 -0.106 -7.909 1.00 0.00 H new ATOM 0 HA LEU B 53 5.218 -2.234 -7.955 1.00 0.00 H new ATOM 0 HB2 LEU B 53 3.032 -1.495 -6.046 1.00 0.00 H new ATOM 0 HB3 LEU B 53 3.352 -3.077 -6.729 1.00 0.00 H new ATOM 0 HG LEU B 53 4.329 -1.950 -4.326 1.00 0.00 H new ATOM 0 HD11 LEU B 53 5.336 -4.195 -4.021 1.00 0.00 H new ATOM 0 HD12 LEU B 53 3.671 -4.281 -4.646 1.00 0.00 H new ATOM 0 HD13 LEU B 53 5.048 -4.539 -5.743 1.00 0.00 H new ATOM 0 HD21 LEU B 53 6.768 -2.296 -4.506 1.00 0.00 H new ATOM 0 HD22 LEU B 53 6.593 -2.525 -6.263 1.00 0.00 H new ATOM 0 HD23 LEU B 53 6.195 -0.955 -5.526 1.00 0.00 H new ATOM 1792 N ASP B 54 3.997 -0.580 -9.805 1.00 0.00 N ATOM 1793 CA ASP B 54 3.148 -0.192 -10.932 1.00 0.00 C ATOM 1794 C ASP B 54 1.714 -0.181 -10.507 1.00 0.00 C ATOM 1795 O ASP B 54 1.092 -1.232 -10.422 1.00 0.00 O ATOM 1796 CB ASP B 54 3.285 -1.171 -12.080 1.00 0.00 C ATOM 1797 CG ASP B 54 3.157 -0.506 -13.438 1.00 0.00 C ATOM 1798 OD1 ASP B 54 3.934 0.431 -13.718 1.00 0.00 O ATOM 1799 OD2 ASP B 54 2.281 -0.924 -14.222 1.00 0.00 O ATOM 0 H ASP B 54 4.986 -0.364 -9.932 1.00 0.00 H new ATOM 0 HA ASP B 54 3.464 0.799 -11.257 1.00 0.00 H new ATOM 0 HB2 ASP B 54 4.253 -1.668 -12.014 1.00 0.00 H new ATOM 0 HB3 ASP B 54 2.522 -1.944 -11.986 1.00 0.00 H new ATOM 1804 N VAL B 55 1.182 0.983 -10.223 1.00 0.00 N ATOM 1805 CA VAL B 55 -0.207 1.039 -9.791 1.00 0.00 C ATOM 1806 C VAL B 55 -1.106 0.181 -10.670 1.00 0.00 C ATOM 1807 O VAL B 55 -1.952 -0.531 -10.128 1.00 0.00 O ATOM 1808 CB VAL B 55 -0.787 2.463 -9.674 1.00 0.00 C ATOM 1809 CG1 VAL B 55 -1.453 2.919 -10.967 1.00 0.00 C ATOM 1810 CG2 VAL B 55 -1.760 2.489 -8.503 1.00 0.00 C ATOM 0 H VAL B 55 1.664 1.880 -10.278 1.00 0.00 H new ATOM 0 HA VAL B 55 -0.191 0.632 -8.780 1.00 0.00 H new ATOM 0 HB VAL B 55 0.025 3.168 -9.494 1.00 0.00 H new ATOM 0 HG11 VAL B 55 -1.847 3.927 -10.838 1.00 0.00 H new ATOM 0 HG12 VAL B 55 -0.720 2.916 -11.774 1.00 0.00 H new ATOM 0 HG13 VAL B 55 -2.269 2.240 -11.215 1.00 0.00 H new ATOM 0 HG21 VAL B 55 -2.182 3.489 -8.403 1.00 0.00 H new ATOM 0 HG22 VAL B 55 -2.562 1.773 -8.680 1.00 0.00 H new ATOM 0 HG23 VAL B 55 -1.233 2.224 -7.586 1.00 0.00 H new ATOM 1820 N PRO B 56 -0.926 0.187 -12.025 1.00 0.00 N ATOM 1821 CA PRO B 56 -1.761 -0.622 -12.909 1.00 0.00 C ATOM 1822 C PRO B 56 -1.584 -2.091 -12.591 1.00 0.00 C ATOM 1823 O PRO B 56 -2.372 -2.935 -13.020 1.00 0.00 O ATOM 1824 CB PRO B 56 -1.244 -0.304 -14.319 1.00 0.00 C ATOM 1825 CG PRO B 56 -0.483 0.965 -14.172 1.00 0.00 C ATOM 1826 CD PRO B 56 0.103 0.920 -12.793 1.00 0.00 C ATOM 0 HA PRO B 56 -2.824 -0.405 -12.802 1.00 0.00 H new ATOM 0 HB2 PRO B 56 -0.608 -1.105 -14.696 1.00 0.00 H new ATOM 0 HB3 PRO B 56 -2.067 -0.191 -15.025 1.00 0.00 H new ATOM 0 HG2 PRO B 56 0.298 1.045 -14.928 1.00 0.00 H new ATOM 0 HG3 PRO B 56 -1.135 1.830 -14.294 1.00 0.00 H new ATOM 0 HD2 PRO B 56 1.063 0.404 -12.778 1.00 0.00 H new ATOM 0 HD3 PRO B 56 0.272 1.919 -12.392 1.00 0.00 H new ATOM 1834 N LEU B 57 -0.496 -2.397 -11.896 1.00 0.00 N ATOM 1835 CA LEU B 57 -0.228 -3.753 -11.483 1.00 0.00 C ATOM 1836 C LEU B 57 -0.657 -4.032 -10.039 1.00 0.00 C ATOM 1837 O LEU B 57 -1.600 -4.773 -9.811 1.00 0.00 O ATOM 1838 CB LEU B 57 1.240 -4.109 -11.670 1.00 0.00 C ATOM 1839 CG LEU B 57 1.768 -4.009 -13.107 1.00 0.00 C ATOM 1840 CD1 LEU B 57 3.234 -4.403 -13.165 1.00 0.00 C ATOM 1841 CD2 LEU B 57 0.952 -4.884 -14.049 1.00 0.00 C ATOM 0 H LEU B 57 0.210 -1.719 -11.610 1.00 0.00 H new ATOM 0 HA LEU B 57 -0.833 -4.388 -12.130 1.00 0.00 H new ATOM 0 HB2 LEU B 57 1.838 -3.454 -11.036 1.00 0.00 H new ATOM 0 HB3 LEU B 57 1.397 -5.127 -11.314 1.00 0.00 H new ATOM 0 HG LEU B 57 1.670 -2.972 -13.430 1.00 0.00 H new ATOM 0 HD11 LEU B 57 3.591 -4.326 -14.192 1.00 0.00 H new ATOM 0 HD12 LEU B 57 3.815 -3.737 -12.528 1.00 0.00 H new ATOM 0 HD13 LEU B 57 3.349 -5.430 -12.817 1.00 0.00 H new ATOM 0 HD21 LEU B 57 1.346 -4.795 -15.061 1.00 0.00 H new ATOM 0 HD22 LEU B 57 1.014 -5.923 -13.725 1.00 0.00 H new ATOM 0 HD23 LEU B 57 -0.089 -4.561 -14.036 1.00 0.00 H new ATOM 1853 N ASP B 58 0.051 -3.429 -9.068 1.00 0.00 N ATOM 1854 CA ASP B 58 -0.209 -3.664 -7.636 1.00 0.00 C ATOM 1855 C ASP B 58 -1.493 -3.093 -7.095 1.00 0.00 C ATOM 1856 O ASP B 58 -2.322 -3.839 -6.594 1.00 0.00 O ATOM 1857 CB ASP B 58 0.923 -3.121 -6.799 1.00 0.00 C ATOM 1858 CG ASP B 58 0.678 -3.297 -5.314 1.00 0.00 C ATOM 1859 OD1 ASP B 58 0.137 -4.352 -4.923 1.00 0.00 O ATOM 1860 OD2 ASP B 58 1.026 -2.380 -4.542 1.00 0.00 O ATOM 0 H ASP B 58 0.811 -2.773 -9.250 1.00 0.00 H new ATOM 0 HA ASP B 58 -0.298 -4.748 -7.567 1.00 0.00 H new ATOM 0 HB2 ASP B 58 1.849 -3.625 -7.074 1.00 0.00 H new ATOM 0 HB3 ASP B 58 1.059 -2.062 -7.019 1.00 0.00 H new ATOM 1865 N LEU B 59 -1.656 -1.784 -7.141 1.00 0.00 N ATOM 1866 CA LEU B 59 -2.855 -1.203 -6.587 1.00 0.00 C ATOM 1867 C LEU B 59 -3.999 -1.515 -7.477 1.00 0.00 C ATOM 1868 O LEU B 59 -5.137 -1.255 -7.151 1.00 0.00 O ATOM 1869 CB LEU B 59 -2.723 0.271 -6.294 1.00 0.00 C ATOM 1870 CG LEU B 59 -2.491 0.568 -4.814 1.00 0.00 C ATOM 1871 CD1 LEU B 59 -3.784 0.500 -4.022 1.00 0.00 C ATOM 1872 CD2 LEU B 59 -1.457 -0.390 -4.220 1.00 0.00 C ATOM 0 H LEU B 59 -0.992 -1.123 -7.545 1.00 0.00 H new ATOM 0 HA LEU B 59 -3.036 -1.653 -5.611 1.00 0.00 H new ATOM 0 HB2 LEU B 59 -1.895 0.678 -6.874 1.00 0.00 H new ATOM 0 HB3 LEU B 59 -3.626 0.784 -6.624 1.00 0.00 H new ATOM 0 HG LEU B 59 -2.106 1.585 -4.745 1.00 0.00 H new ATOM 0 HD11 LEU B 59 -3.580 0.717 -2.973 1.00 0.00 H new ATOM 0 HD12 LEU B 59 -4.489 1.233 -4.414 1.00 0.00 H new ATOM 0 HD13 LEU B 59 -4.212 -0.499 -4.110 1.00 0.00 H new ATOM 0 HD21 LEU B 59 -1.310 -0.158 -3.165 1.00 0.00 H new ATOM 0 HD22 LEU B 59 -1.812 -1.416 -4.320 1.00 0.00 H new ATOM 0 HD23 LEU B 59 -0.512 -0.280 -4.751 1.00 0.00 H new ATOM 1884 N ALA B 60 -3.652 -1.975 -8.656 1.00 0.00 N ATOM 1885 CA ALA B 60 -4.628 -2.410 -9.615 1.00 0.00 C ATOM 1886 C ALA B 60 -4.912 -3.873 -9.329 1.00 0.00 C ATOM 1887 O ALA B 60 -5.996 -4.367 -9.590 1.00 0.00 O ATOM 1888 CB ALA B 60 -4.121 -2.206 -11.014 1.00 0.00 C ATOM 0 H ALA B 60 -2.686 -2.056 -8.973 1.00 0.00 H new ATOM 0 HA ALA B 60 -5.546 -1.829 -9.532 1.00 0.00 H new ATOM 0 HB1 ALA B 60 -4.874 -2.542 -11.727 1.00 0.00 H new ATOM 0 HB2 ALA B 60 -3.914 -1.148 -11.175 1.00 0.00 H new ATOM 0 HB3 ALA B 60 -3.206 -2.780 -11.157 1.00 0.00 H new ATOM 1894 N CYS B 61 -3.889 -4.560 -8.805 1.00 0.00 N ATOM 1895 CA CYS B 61 -4.019 -5.950 -8.380 1.00 0.00 C ATOM 1896 C CYS B 61 -4.875 -5.908 -7.135 1.00 0.00 C ATOM 1897 O CYS B 61 -5.742 -6.747 -6.868 1.00 0.00 O ATOM 1898 CB CYS B 61 -2.641 -6.547 -8.040 1.00 0.00 C ATOM 1899 SG CYS B 61 -2.681 -7.943 -6.867 1.00 0.00 S ATOM 0 H CYS B 61 -2.958 -4.168 -8.667 1.00 0.00 H new ATOM 0 HA CYS B 61 -4.454 -6.568 -9.165 1.00 0.00 H new ATOM 0 HB2 CYS B 61 -2.167 -6.880 -8.963 1.00 0.00 H new ATOM 0 HB3 CYS B 61 -2.012 -5.760 -7.625 1.00 0.00 H new ATOM 1904 N ALA B 62 -4.625 -4.843 -6.407 1.00 0.00 N ATOM 1905 CA ALA B 62 -5.298 -4.561 -5.176 1.00 0.00 C ATOM 1906 C ALA B 62 -6.670 -3.950 -5.442 1.00 0.00 C ATOM 1907 O ALA B 62 -7.664 -4.357 -4.838 1.00 0.00 O ATOM 1908 CB ALA B 62 -4.419 -3.648 -4.347 1.00 0.00 C ATOM 0 H ALA B 62 -3.933 -4.140 -6.666 1.00 0.00 H new ATOM 0 HA ALA B 62 -5.471 -5.482 -4.619 1.00 0.00 H new ATOM 0 HB1 ALA B 62 -4.916 -3.422 -3.404 1.00 0.00 H new ATOM 0 HB2 ALA B 62 -3.468 -4.142 -4.147 1.00 0.00 H new ATOM 0 HB3 ALA B 62 -4.239 -2.722 -4.893 1.00 0.00 H new ATOM 1914 N ALA B 63 -6.709 -2.968 -6.351 1.00 0.00 N ATOM 1915 CA ALA B 63 -7.960 -2.318 -6.731 1.00 0.00 C ATOM 1916 C ALA B 63 -8.835 -3.341 -7.389 1.00 0.00 C ATOM 1917 O ALA B 63 -10.053 -3.330 -7.244 1.00 0.00 O ATOM 1918 CB ALA B 63 -7.733 -1.154 -7.682 1.00 0.00 C ATOM 0 H ALA B 63 -5.886 -2.609 -6.835 1.00 0.00 H new ATOM 0 HA ALA B 63 -8.430 -1.914 -5.834 1.00 0.00 H new ATOM 0 HB1 ALA B 63 -8.691 -0.701 -7.938 1.00 0.00 H new ATOM 0 HB2 ALA B 63 -7.096 -0.411 -7.202 1.00 0.00 H new ATOM 0 HB3 ALA B 63 -7.249 -1.515 -8.589 1.00 0.00 H new ATOM 1924 N THR B 64 -8.191 -4.248 -8.107 1.00 0.00 N ATOM 1925 CA THR B 64 -8.923 -5.319 -8.756 1.00 0.00 C ATOM 1926 C THR B 64 -9.358 -6.296 -7.684 1.00 0.00 C ATOM 1927 O THR B 64 -9.782 -7.414 -7.975 1.00 0.00 O ATOM 1928 CB THR B 64 -8.137 -6.066 -9.876 1.00 0.00 C ATOM 1929 OG1 THR B 64 -9.058 -6.763 -10.723 1.00 0.00 O ATOM 1930 CG2 THR B 64 -7.123 -7.070 -9.322 1.00 0.00 C ATOM 0 H THR B 64 -7.182 -4.264 -8.252 1.00 0.00 H new ATOM 0 HA THR B 64 -9.771 -4.865 -9.269 1.00 0.00 H new ATOM 0 HB THR B 64 -7.584 -5.310 -10.433 1.00 0.00 H new ATOM 0 HG1 THR B 64 -9.676 -7.287 -10.172 1.00 0.00 H new ATOM 0 HG21 THR B 64 -6.607 -7.559 -10.148 1.00 0.00 H new ATOM 0 HG22 THR B 64 -6.397 -6.548 -8.699 1.00 0.00 H new ATOM 0 HG23 THR B 64 -7.642 -7.819 -8.724 1.00 0.00 H new ATOM 1938 N ALA B 65 -9.242 -5.855 -6.422 1.00 0.00 N ATOM 1939 CA ALA B 65 -9.606 -6.700 -5.310 1.00 0.00 C ATOM 1940 C ALA B 65 -9.818 -5.959 -3.971 1.00 0.00 C ATOM 1941 O ALA B 65 -10.846 -5.335 -3.765 1.00 0.00 O ATOM 1942 CB ALA B 65 -8.561 -7.764 -5.165 1.00 0.00 C ATOM 0 H ALA B 65 -8.902 -4.929 -6.164 1.00 0.00 H new ATOM 0 HA ALA B 65 -10.582 -7.126 -5.542 1.00 0.00 H new ATOM 0 HB1 ALA B 65 -8.818 -8.414 -4.329 1.00 0.00 H new ATOM 0 HB2 ALA B 65 -8.512 -8.353 -6.081 1.00 0.00 H new ATOM 0 HB3 ALA B 65 -7.592 -7.300 -4.980 1.00 0.00 H new ATOM 1948 N THR B 66 -8.840 -6.046 -3.056 1.00 0.00 N ATOM 1949 CA THR B 66 -8.980 -5.467 -1.705 1.00 0.00 C ATOM 1950 C THR B 66 -8.682 -3.981 -1.614 1.00 0.00 C ATOM 1951 O THR B 66 -9.363 -3.284 -0.867 1.00 0.00 O ATOM 1952 CB THR B 66 -8.124 -6.219 -0.669 1.00 0.00 C ATOM 1953 OG1 THR B 66 -7.749 -7.501 -1.170 1.00 0.00 O ATOM 1954 CG2 THR B 66 -8.889 -6.398 0.629 1.00 0.00 C ATOM 0 H THR B 66 -7.947 -6.509 -3.223 1.00 0.00 H new ATOM 0 HA THR B 66 -10.039 -5.590 -1.477 1.00 0.00 H new ATOM 0 HB THR B 66 -7.229 -5.626 -0.480 1.00 0.00 H new ATOM 0 HG1 THR B 66 -8.450 -8.152 -0.960 1.00 0.00 H new ATOM 0 HG21 THR B 66 -8.267 -6.931 1.348 1.00 0.00 H new ATOM 0 HG22 THR B 66 -9.154 -5.421 1.033 1.00 0.00 H new ATOM 0 HG23 THR B 66 -9.797 -6.970 0.440 1.00 0.00 H new ATOM 1962 N SER B 67 -7.674 -3.473 -2.318 1.00 0.00 N ATOM 1963 CA SER B 67 -7.430 -2.030 -2.256 1.00 0.00 C ATOM 1964 C SER B 67 -8.732 -1.381 -2.638 1.00 0.00 C ATOM 1965 O SER B 67 -9.015 -0.222 -2.331 1.00 0.00 O ATOM 1966 CB SER B 67 -6.301 -1.591 -3.159 1.00 0.00 C ATOM 1967 OG SER B 67 -5.053 -1.736 -2.504 1.00 0.00 O ATOM 0 H SER B 67 -7.039 -4.006 -2.912 1.00 0.00 H new ATOM 0 HA SER B 67 -7.111 -1.736 -1.256 1.00 0.00 H new ATOM 0 HB2 SER B 67 -6.309 -2.183 -4.074 1.00 0.00 H new ATOM 0 HB3 SER B 67 -6.446 -0.551 -3.452 1.00 0.00 H new ATOM 0 HG SER B 67 -5.169 -2.276 -1.694 1.00 0.00 H new ATOM 1973 N SER B 68 -9.498 -2.194 -3.351 1.00 0.00 N ATOM 1974 CA SER B 68 -10.840 -1.922 -3.736 1.00 0.00 C ATOM 1975 C SER B 68 -11.034 -0.896 -4.809 1.00 0.00 C ATOM 1976 O SER B 68 -10.868 0.298 -4.605 1.00 0.00 O ATOM 1977 CB SER B 68 -11.701 -1.585 -2.536 1.00 0.00 C ATOM 1978 OG SER B 68 -10.942 -1.448 -1.354 1.00 0.00 O ATOM 0 H SER B 68 -9.167 -3.100 -3.683 1.00 0.00 H new ATOM 0 HA SER B 68 -11.161 -2.860 -4.189 1.00 0.00 H new ATOM 0 HB2 SER B 68 -12.241 -0.658 -2.728 1.00 0.00 H new ATOM 0 HB3 SER B 68 -12.448 -2.366 -2.397 1.00 0.00 H new ATOM 0 HG SER B 68 -11.051 -0.541 -0.998 1.00 0.00 H new ATOM 1984 N ALA B 69 -11.401 -1.421 -5.955 1.00 0.00 N ATOM 1985 CA ALA B 69 -11.751 -0.626 -7.118 1.00 0.00 C ATOM 1986 C ALA B 69 -11.774 -1.498 -8.359 1.00 0.00 C ATOM 1987 O ALA B 69 -11.230 -1.144 -9.406 1.00 0.00 O ATOM 1988 CB ALA B 69 -10.818 0.562 -7.295 1.00 0.00 C ATOM 0 H ALA B 69 -11.467 -2.427 -6.112 1.00 0.00 H new ATOM 0 HA ALA B 69 -12.750 -0.220 -6.959 1.00 0.00 H new ATOM 0 HB1 ALA B 69 -11.115 1.130 -8.177 1.00 0.00 H new ATOM 0 HB2 ALA B 69 -10.874 1.203 -6.415 1.00 0.00 H new ATOM 0 HB3 ALA B 69 -9.795 0.206 -7.421 1.00 0.00 H new ATOM 1994 N THR B 70 -12.416 -2.649 -8.219 1.00 0.00 N ATOM 1995 CA THR B 70 -12.531 -3.609 -9.304 1.00 0.00 C ATOM 1996 C THR B 70 -13.895 -3.511 -9.965 1.00 0.00 C ATOM 1997 O THR B 70 -14.881 -4.047 -9.462 1.00 0.00 O ATOM 1998 CB THR B 70 -12.309 -5.052 -8.805 1.00 0.00 C ATOM 1999 OG1 THR B 70 -13.204 -5.949 -9.474 1.00 0.00 O ATOM 2000 CG2 THR B 70 -12.507 -5.149 -7.298 1.00 0.00 C ATOM 0 H THR B 70 -12.870 -2.942 -7.353 1.00 0.00 H new ATOM 0 HA THR B 70 -11.757 -3.368 -10.032 1.00 0.00 H new ATOM 0 HB THR B 70 -11.281 -5.333 -9.033 1.00 0.00 H new ATOM 0 HG1 THR B 70 -13.400 -6.711 -8.890 1.00 0.00 H new ATOM 0 HG21 THR B 70 -12.344 -6.177 -6.975 1.00 0.00 H new ATOM 0 HG22 THR B 70 -11.796 -4.494 -6.795 1.00 0.00 H new ATOM 0 HG23 THR B 70 -13.523 -4.846 -7.044 1.00 0.00 H new ATOM 2008 N GLU B 71 -13.944 -2.819 -11.094 1.00 0.00 N ATOM 2009 CA GLU B 71 -15.190 -2.650 -11.825 1.00 0.00 C ATOM 2010 C GLU B 71 -15.664 -3.971 -12.401 1.00 0.00 C ATOM 2011 O GLU B 71 -16.720 -4.044 -13.029 1.00 0.00 O ATOM 2012 CB GLU B 71 -15.032 -1.602 -12.922 1.00 0.00 C ATOM 2013 CG GLU B 71 -14.118 -1.994 -14.062 1.00 0.00 C ATOM 2014 CD GLU B 71 -12.653 -1.998 -13.671 1.00 0.00 C ATOM 2015 OE1 GLU B 71 -12.020 -0.923 -13.731 1.00 0.00 O ATOM 2016 OE2 GLU B 71 -12.139 -3.075 -13.304 1.00 0.00 O ATOM 0 H GLU B 71 -13.137 -2.366 -11.523 1.00 0.00 H new ATOM 0 HA GLU B 71 -15.949 -2.299 -11.126 1.00 0.00 H new ATOM 0 HB2 GLU B 71 -16.017 -1.375 -13.329 1.00 0.00 H new ATOM 0 HB3 GLU B 71 -14.653 -0.684 -12.473 1.00 0.00 H new ATOM 0 HG2 GLU B 71 -14.396 -2.986 -14.419 1.00 0.00 H new ATOM 0 HG3 GLU B 71 -14.265 -1.303 -14.892 1.00 0.00 H new ATOM 2023 N ALA B 72 -14.877 -5.015 -12.181 1.00 0.00 N ATOM 2024 CA ALA B 72 -15.223 -6.332 -12.677 1.00 0.00 C ATOM 2025 C ALA B 72 -16.009 -7.131 -11.640 1.00 0.00 C ATOM 2026 O ALA B 72 -16.831 -7.976 -11.997 1.00 0.00 O ATOM 2027 CB ALA B 72 -13.973 -7.088 -13.100 1.00 0.00 C ATOM 0 H ALA B 72 -13.999 -4.972 -11.664 1.00 0.00 H new ATOM 0 HA ALA B 72 -15.864 -6.201 -13.549 1.00 0.00 H new ATOM 0 HB1 ALA B 72 -14.252 -8.075 -13.470 1.00 0.00 H new ATOM 0 HB2 ALA B 72 -13.463 -6.536 -13.889 1.00 0.00 H new ATOM 0 HB3 ALA B 72 -13.306 -7.196 -12.244 1.00 0.00 H new ATOM 2033 N CYS B 73 -15.761 -6.866 -10.355 1.00 0.00 N ATOM 2034 CA CYS B 73 -16.468 -7.575 -9.288 1.00 0.00 C ATOM 2035 C CYS B 73 -17.306 -6.626 -8.476 1.00 0.00 C ATOM 2036 O CYS B 73 -18.017 -7.047 -7.565 1.00 0.00 O ATOM 2037 CB CYS B 73 -15.499 -8.245 -8.314 1.00 0.00 C ATOM 2038 SG CYS B 73 -14.067 -9.052 -9.086 1.00 0.00 S ATOM 0 H CYS B 73 -15.085 -6.174 -10.032 1.00 0.00 H new ATOM 0 HA CYS B 73 -17.087 -8.323 -9.783 1.00 0.00 H new ATOM 0 HB2 CYS B 73 -15.138 -7.495 -7.611 1.00 0.00 H new ATOM 0 HB3 CYS B 73 -16.047 -8.988 -7.734 1.00 0.00 H new ATOM 2043 N LYS B 74 -17.239 -5.349 -8.799 1.00 0.00 N ATOM 2044 CA LYS B 74 -17.946 -4.375 -8.008 1.00 0.00 C ATOM 2045 C LYS B 74 -19.449 -4.487 -8.061 1.00 0.00 C ATOM 2046 O LYS B 74 -20.033 -5.557 -7.899 1.00 0.00 O ATOM 2047 CB LYS B 74 -17.511 -2.938 -8.301 1.00 0.00 C ATOM 2048 CG LYS B 74 -17.820 -1.999 -7.132 1.00 0.00 C ATOM 2049 CD LYS B 74 -18.943 -1.008 -7.441 1.00 0.00 C ATOM 2050 CE LYS B 74 -19.360 -0.185 -6.237 1.00 0.00 C ATOM 2051 NZ LYS B 74 -20.492 0.730 -6.555 1.00 0.00 N ATOM 0 H LYS B 74 -16.713 -4.972 -9.587 1.00 0.00 H new ATOM 0 HA LYS B 74 -17.655 -4.623 -6.987 1.00 0.00 H new ATOM 0 HB2 LYS B 74 -16.441 -2.918 -8.510 1.00 0.00 H new ATOM 0 HB3 LYS B 74 -18.018 -2.581 -9.197 1.00 0.00 H new ATOM 0 HG2 LYS B 74 -18.096 -2.592 -6.260 1.00 0.00 H new ATOM 0 HG3 LYS B 74 -16.918 -1.447 -6.869 1.00 0.00 H new ATOM 0 HD2 LYS B 74 -18.619 -0.338 -8.237 1.00 0.00 H new ATOM 0 HD3 LYS B 74 -19.808 -1.554 -7.817 1.00 0.00 H new ATOM 0 HE2 LYS B 74 -19.649 -0.851 -5.424 1.00 0.00 H new ATOM 0 HE3 LYS B 74 -18.510 0.398 -5.884 1.00 0.00 H new ATOM 0 HZ1 LYS B 74 -20.747 1.275 -5.707 1.00 0.00 H new ATOM 0 HZ2 LYS B 74 -20.208 1.383 -7.313 1.00 0.00 H new ATOM 0 HZ3 LYS B 74 -21.312 0.172 -6.868 1.00 0.00 H new ATOM 2065 N GLY B 75 -20.051 -3.351 -8.294 1.00 0.00 N ATOM 2066 CA GLY B 75 -21.465 -3.228 -8.238 1.00 0.00 C ATOM 2067 C GLY B 75 -21.812 -3.306 -6.780 1.00 0.00 C ATOM 2068 O GLY B 75 -22.941 -3.613 -6.400 1.00 0.00 O ATOM 0 H GLY B 75 -19.563 -2.487 -8.528 1.00 0.00 H new ATOM 0 HA2 GLY B 75 -21.795 -2.284 -8.671 1.00 0.00 H new ATOM 0 HA3 GLY B 75 -21.952 -4.024 -8.801 1.00 0.00 H new ATOM 2072 N CYS B 76 -20.787 -3.001 -5.951 1.00 0.00 N ATOM 2073 CA CYS B 76 -20.913 -3.096 -4.518 1.00 0.00 C ATOM 2074 C CYS B 76 -19.775 -2.412 -3.735 1.00 0.00 C ATOM 2075 O CYS B 76 -20.021 -1.471 -2.982 1.00 0.00 O ATOM 2076 CB CYS B 76 -20.899 -4.573 -4.135 1.00 0.00 C ATOM 2077 SG CYS B 76 -22.519 -5.401 -4.140 1.00 0.00 S ATOM 0 H CYS B 76 -19.871 -2.689 -6.272 1.00 0.00 H new ATOM 0 HA CYS B 76 -21.841 -2.587 -4.257 1.00 0.00 H new ATOM 0 HB2 CYS B 76 -20.238 -5.102 -4.822 1.00 0.00 H new ATOM 0 HB3 CYS B 76 -20.465 -4.668 -3.139 1.00 0.00 H new ATOM 2082 N LEU B 77 -18.523 -2.850 -3.951 1.00 0.00 N ATOM 2083 CA LEU B 77 -17.400 -2.379 -3.117 1.00 0.00 C ATOM 2084 C LEU B 77 -16.338 -1.459 -3.765 1.00 0.00 C ATOM 2085 O LEU B 77 -15.220 -1.400 -3.271 1.00 0.00 O ATOM 2086 CB LEU B 77 -16.689 -3.600 -2.554 1.00 0.00 C ATOM 2087 CG LEU B 77 -15.624 -3.328 -1.481 1.00 0.00 C ATOM 2088 CD1 LEU B 77 -16.262 -2.973 -0.160 1.00 0.00 C ATOM 2089 CD2 LEU B 77 -14.701 -4.514 -1.325 1.00 0.00 C ATOM 0 H LEU B 77 -18.264 -3.515 -4.680 1.00 0.00 H new ATOM 0 HA LEU B 77 -17.876 -1.740 -2.373 1.00 0.00 H new ATOM 0 HB2 LEU B 77 -17.439 -4.269 -2.131 1.00 0.00 H new ATOM 0 HB3 LEU B 77 -16.216 -4.132 -3.379 1.00 0.00 H new ATOM 0 HG LEU B 77 -15.031 -2.475 -1.810 1.00 0.00 H new ATOM 0 HD11 LEU B 77 -15.485 -2.786 0.581 1.00 0.00 H new ATOM 0 HD12 LEU B 77 -16.873 -2.078 -0.280 1.00 0.00 H new ATOM 0 HD13 LEU B 77 -16.890 -3.799 0.174 1.00 0.00 H new ATOM 0 HD21 LEU B 77 -13.956 -4.297 -0.560 1.00 0.00 H new ATOM 0 HD22 LEU B 77 -15.280 -5.389 -1.030 1.00 0.00 H new ATOM 0 HD23 LEU B 77 -14.201 -4.713 -2.273 1.00 0.00 H new ATOM 2101 N TRP B 78 -16.616 -0.761 -4.843 1.00 0.00 N ATOM 2102 CA TRP B 78 -15.591 0.139 -5.395 1.00 0.00 C ATOM 2103 C TRP B 78 -14.880 0.923 -4.292 1.00 0.00 C ATOM 2104 O TRP B 78 -15.530 1.751 -3.630 1.00 0.00 O ATOM 2105 CB TRP B 78 -16.163 1.106 -6.441 1.00 0.00 C ATOM 2106 CG TRP B 78 -16.040 0.589 -7.832 1.00 0.00 C ATOM 2107 CD1 TRP B 78 -15.162 -0.350 -8.275 1.00 0.00 C ATOM 2108 CD2 TRP B 78 -16.828 0.963 -8.958 1.00 0.00 C ATOM 2109 NE1 TRP B 78 -15.379 -0.611 -9.596 1.00 0.00 N ATOM 2110 CE2 TRP B 78 -16.395 0.188 -10.038 1.00 0.00 C ATOM 2111 CE3 TRP B 78 -17.867 1.870 -9.152 1.00 0.00 C ATOM 2112 CZ2 TRP B 78 -16.965 0.284 -11.289 1.00 0.00 C ATOM 2113 CZ3 TRP B 78 -18.431 1.972 -10.411 1.00 0.00 C ATOM 2114 CH2 TRP B 78 -17.975 1.171 -11.467 1.00 0.00 C ATOM 2115 OXT TRP B 78 -13.666 0.696 -4.103 1.00 0.00 O ATOM 0 H TRP B 78 -17.502 -0.785 -5.349 1.00 0.00 H new ATOM 0 HA TRP B 78 -14.864 -0.501 -5.895 1.00 0.00 H new ATOM 0 HB2 TRP B 78 -17.214 1.294 -6.220 1.00 0.00 H new ATOM 0 HB3 TRP B 78 -15.646 2.062 -6.366 1.00 0.00 H new ATOM 0 HD1 TRP B 78 -14.403 -0.821 -7.669 1.00 0.00 H new ATOM 0 HE1 TRP B 78 -14.868 -1.290 -10.160 1.00 0.00 H new ATOM 0 HE3 TRP B 78 -18.225 2.481 -8.336 1.00 0.00 H new ATOM 0 HZ2 TRP B 78 -16.617 -0.331 -12.106 1.00 0.00 H new ATOM 0 HZ3 TRP B 78 -19.231 2.677 -10.582 1.00 0.00 H new ATOM 0 HH2 TRP B 78 -18.436 1.262 -12.439 1.00 0.00 H new