USER MOD reduce.3.24.130724 H: found=0, std=0, add=986, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 988 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 23 SER OG : rot 115:sc= -0.413 USER MOD Set 1.2: B 74 LYS NZ :NH3+ -170:sc= 0.331 (180deg=0.216) USER MOD Set 2.1: B 20 THR OG1 : rot 56:sc= -2.57! USER MOD Set 2.2: B 68 SER OG : rot -93:sc= -1.83 USER MOD Set 3.1: A 38 SER OG : rot -68:sc= 0.114 USER MOD Set 3.2: B 40 SER OG : rot 77:sc= 0.369 USER MOD Set 4.1: B 21 GLN :FLIP amide:sc= -5.61! C(o=-16!,f=-12!) USER MOD Set 4.2: B 24 SER OG : rot -158:sc= -6.44! USER MOD Set 5.1: B 12 TYR OH : rot -57:sc= 0.331 USER MOD Set 5.2: B 67 SER OG : rot -133:sc= -1.07! USER MOD Set 6.1: A 20 THR OG1 : rot 24:sc= -2.58! USER MOD Set 6.2: A 68 SER OG : rot -97:sc= -1.89 USER MOD Set 7.1: A 40 SER OG : rot 75:sc= 0.365 USER MOD Set 7.2: B 38 SER OG : rot -68:sc= 0.113 USER MOD Set 8.1: A 23 SER OG : rot 115:sc= -0.306 USER MOD Set 8.2: A 74 LYS NZ :NH3+ -171:sc= 0.33 (180deg=0.225) USER MOD Set 9.1: A 21 GLN :FLIP amide:sc= -5.34! C(o=-16!,f=-12!) USER MOD Set 9.2: A 24 SER OG : rot -158:sc= -6.34! USER MOD Set10.1: A 12 TYR OH : rot -55:sc= 0.344 USER MOD Set10.2: A 67 SER OG : rot -134:sc= -1.22! USER MOD Set11.1: A 11 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0959) USER MOD Set11.2: B 11 LYS NZ :NH3+ 173:sc= -0.0171 (180deg=-0.137) USER MOD Single : A 4 SER OG : rot 36:sc= 0.191 USER MOD Single : A 13 ASN :FLIP amide:sc= -15.4! C(o=-22!,f=-15!) USER MOD Single : A 27 ASN :FLIP amide:sc= -0.605 F(o=-7.3!,f=-0.6) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 87:sc= 1.05 USER MOD Single : A 64 THR OG1 : rot -47:sc= 0.151 USER MOD Single : A 66 THR OG1 : rot 126:sc= -3.36! USER MOD Single : A 70 THR OG1 : rot -153:sc= 2.03 USER MOD Single : B 4 SER OG : rot 32:sc= 0.176 USER MOD Single : B 13 ASN :FLIP amide:sc= -15.6! C(o=-22!,f=-16!) USER MOD Single : B 27 ASN :FLIP amide:sc= -0.678 F(o=-7.5!,f=-0.68) USER MOD Single : B 35 SER OG : rot 180:sc= 0 USER MOD Single : B 36 SER OG : rot 180:sc= 0 USER MOD Single : B 41 SER OG : rot 89:sc= 1.02 USER MOD Single : B 64 THR OG1 : rot -51:sc= 0.138 USER MOD Single : B 66 THR OG1 : rot 129:sc= -3.31! USER MOD Single : B 70 THR OG1 : rot -152:sc= 2.02 USER MOD ----------------------------------------------------------------- ATOM 46 N SER A 4 -13.582 10.112 -5.537 1.00 0.00 N ATOM 47 CA SER A 4 -14.221 8.825 -5.789 1.00 0.00 C ATOM 48 C SER A 4 -13.253 7.698 -5.494 1.00 0.00 C ATOM 49 O SER A 4 -12.129 7.944 -5.075 1.00 0.00 O ATOM 50 CB SER A 4 -14.671 8.730 -7.243 1.00 0.00 C ATOM 51 OG SER A 4 -15.410 9.875 -7.632 1.00 0.00 O ATOM 0 HA SER A 4 -15.091 8.741 -5.137 1.00 0.00 H new ATOM 0 HB2 SER A 4 -13.800 8.621 -7.889 1.00 0.00 H new ATOM 0 HB3 SER A 4 -15.282 7.838 -7.379 1.00 0.00 H new ATOM 0 HG SER A 4 -15.036 10.669 -7.196 1.00 0.00 H new ATOM 57 N VAL A 5 -13.686 6.465 -5.706 1.00 0.00 N ATOM 58 CA VAL A 5 -12.818 5.325 -5.468 1.00 0.00 C ATOM 59 C VAL A 5 -11.825 5.175 -6.621 1.00 0.00 C ATOM 60 O VAL A 5 -10.619 5.093 -6.402 1.00 0.00 O ATOM 61 CB VAL A 5 -13.614 4.008 -5.263 1.00 0.00 C ATOM 62 CG1 VAL A 5 -15.087 4.293 -4.993 1.00 0.00 C ATOM 63 CG2 VAL A 5 -13.438 3.056 -6.445 1.00 0.00 C ATOM 0 H VAL A 5 -14.621 6.231 -6.038 1.00 0.00 H new ATOM 0 HA VAL A 5 -12.275 5.515 -4.542 1.00 0.00 H new ATOM 0 HB VAL A 5 -13.206 3.510 -4.383 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -15.620 3.352 -4.853 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -15.181 4.900 -4.093 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -15.515 4.830 -5.839 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -14.009 2.145 -6.267 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -13.796 3.536 -7.356 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -12.383 2.806 -6.557 1.00 0.00 H new ATOM 73 N GLY A 6 -12.343 5.158 -7.850 1.00 0.00 N ATOM 74 CA GLY A 6 -11.487 5.020 -9.014 1.00 0.00 C ATOM 75 C GLY A 6 -10.614 6.239 -9.217 1.00 0.00 C ATOM 76 O GLY A 6 -9.426 6.119 -9.518 1.00 0.00 O ATOM 0 H GLY A 6 -13.339 5.237 -8.057 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -10.858 4.137 -8.900 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -12.101 4.861 -9.900 1.00 0.00 H new ATOM 80 N ASP A 7 -11.205 7.419 -9.049 1.00 0.00 N ATOM 81 CA ASP A 7 -10.465 8.665 -9.193 1.00 0.00 C ATOM 82 C ASP A 7 -9.399 8.752 -8.118 1.00 0.00 C ATOM 83 O ASP A 7 -8.296 9.246 -8.356 1.00 0.00 O ATOM 84 CB ASP A 7 -11.405 9.864 -9.088 1.00 0.00 C ATOM 85 CG ASP A 7 -12.403 9.923 -10.230 1.00 0.00 C ATOM 86 OD1 ASP A 7 -13.453 9.256 -10.135 1.00 0.00 O ATOM 87 OD2 ASP A 7 -12.132 10.639 -11.217 1.00 0.00 O ATOM 0 H ASP A 7 -12.191 7.536 -8.814 1.00 0.00 H new ATOM 0 HA ASP A 7 -9.993 8.680 -10.176 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -11.943 9.817 -8.141 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -10.817 10.782 -9.076 1.00 0.00 H new ATOM 92 N ALA A 8 -9.744 8.269 -6.929 1.00 0.00 N ATOM 93 CA ALA A 8 -8.818 8.263 -5.815 1.00 0.00 C ATOM 94 C ALA A 8 -7.518 7.620 -6.235 1.00 0.00 C ATOM 95 O ALA A 8 -6.438 8.172 -6.031 1.00 0.00 O ATOM 96 CB ALA A 8 -9.391 7.491 -4.650 1.00 0.00 C ATOM 0 H ALA A 8 -10.662 7.877 -6.717 1.00 0.00 H new ATOM 0 HA ALA A 8 -8.644 9.295 -5.510 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -8.680 7.498 -3.824 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -10.324 7.955 -4.330 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -9.583 6.462 -4.954 1.00 0.00 H new ATOM 102 N PHE A 9 -7.645 6.434 -6.822 1.00 0.00 N ATOM 103 CA PHE A 9 -6.503 5.686 -7.286 1.00 0.00 C ATOM 104 C PHE A 9 -5.598 6.564 -8.140 1.00 0.00 C ATOM 105 O PHE A 9 -4.440 6.736 -7.811 1.00 0.00 O ATOM 106 CB PHE A 9 -6.959 4.451 -8.050 1.00 0.00 C ATOM 107 CG PHE A 9 -7.136 3.271 -7.152 1.00 0.00 C ATOM 108 CD1 PHE A 9 -6.079 2.424 -6.874 1.00 0.00 C ATOM 109 CD2 PHE A 9 -8.359 3.027 -6.561 1.00 0.00 C ATOM 110 CE1 PHE A 9 -6.244 1.355 -6.019 1.00 0.00 C ATOM 111 CE2 PHE A 9 -8.529 1.959 -5.712 1.00 0.00 C ATOM 112 CZ PHE A 9 -7.473 1.125 -5.438 1.00 0.00 C ATOM 0 H PHE A 9 -8.541 5.975 -6.984 1.00 0.00 H new ATOM 0 HA PHE A 9 -5.924 5.355 -6.424 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -7.900 4.665 -8.557 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -6.228 4.212 -8.823 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -5.116 2.601 -7.330 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -9.192 3.682 -6.768 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -5.413 0.700 -5.805 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -9.493 1.776 -5.261 1.00 0.00 H new ATOM 0 HZ PHE A 9 -7.605 0.289 -4.767 1.00 0.00 H new ATOM 122 N ASP A 10 -6.146 7.197 -9.176 1.00 0.00 N ATOM 123 CA ASP A 10 -5.329 8.035 -10.060 1.00 0.00 C ATOM 124 C ASP A 10 -4.383 8.896 -9.231 1.00 0.00 C ATOM 125 O ASP A 10 -3.175 8.970 -9.497 1.00 0.00 O ATOM 126 CB ASP A 10 -6.223 8.923 -10.928 1.00 0.00 C ATOM 127 CG ASP A 10 -5.426 9.784 -11.888 1.00 0.00 C ATOM 128 OD1 ASP A 10 -5.013 9.266 -12.948 1.00 0.00 O ATOM 129 OD2 ASP A 10 -5.216 10.976 -11.584 1.00 0.00 O ATOM 0 H ASP A 10 -7.134 7.149 -9.424 1.00 0.00 H new ATOM 0 HA ASP A 10 -4.742 7.388 -10.713 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -6.913 8.297 -11.493 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -6.827 9.564 -10.286 1.00 0.00 H new ATOM 134 N LYS A 11 -4.942 9.510 -8.202 1.00 0.00 N ATOM 135 CA LYS A 11 -4.177 10.348 -7.292 1.00 0.00 C ATOM 136 C LYS A 11 -3.173 9.489 -6.523 1.00 0.00 C ATOM 137 O LYS A 11 -2.002 9.841 -6.396 1.00 0.00 O ATOM 138 CB LYS A 11 -5.126 11.064 -6.327 1.00 0.00 C ATOM 139 CG LYS A 11 -4.609 12.406 -5.827 1.00 0.00 C ATOM 140 CD LYS A 11 -3.355 12.247 -4.986 1.00 0.00 C ATOM 141 CE LYS A 11 -2.743 13.594 -4.635 1.00 0.00 C ATOM 142 NZ LYS A 11 -3.698 14.468 -3.900 1.00 0.00 N ATOM 0 H LYS A 11 -5.934 9.443 -7.974 1.00 0.00 H new ATOM 0 HA LYS A 11 -3.629 11.099 -7.861 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -6.084 11.218 -6.824 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -5.312 10.416 -5.470 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -4.397 13.054 -6.677 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -5.383 12.897 -5.237 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -3.596 11.706 -4.071 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -2.626 11.646 -5.529 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -1.852 13.439 -4.027 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -2.423 14.095 -5.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -3.198 15.309 -3.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -4.463 14.762 -4.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -4.101 13.944 -3.097 1.00 0.00 H new ATOM 156 N TYR A 12 -3.649 8.356 -6.019 1.00 0.00 N ATOM 157 CA TYR A 12 -2.813 7.425 -5.272 1.00 0.00 C ATOM 158 C TYR A 12 -1.641 6.951 -6.085 1.00 0.00 C ATOM 159 O TYR A 12 -0.498 7.128 -5.705 1.00 0.00 O ATOM 160 CB TYR A 12 -3.586 6.172 -4.883 1.00 0.00 C ATOM 161 CG TYR A 12 -2.840 5.328 -3.867 1.00 0.00 C ATOM 162 CD1 TYR A 12 -2.005 5.923 -2.922 1.00 0.00 C ATOM 163 CD2 TYR A 12 -2.955 3.944 -3.856 1.00 0.00 C ATOM 164 CE1 TYR A 12 -1.311 5.165 -2.002 1.00 0.00 C ATOM 165 CE2 TYR A 12 -2.260 3.183 -2.938 1.00 0.00 C ATOM 166 CZ TYR A 12 -1.439 3.795 -2.016 1.00 0.00 C ATOM 167 OH TYR A 12 -0.748 3.033 -1.102 1.00 0.00 O ATOM 0 H TYR A 12 -4.620 8.059 -6.116 1.00 0.00 H new ATOM 0 HA TYR A 12 -2.480 7.976 -4.392 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -4.555 6.458 -4.473 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -3.780 5.576 -5.775 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -1.900 6.998 -2.910 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -3.597 3.457 -4.575 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -0.671 5.644 -1.275 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -2.360 2.108 -2.942 1.00 0.00 H new ATOM 0 HH TYR A 12 0.208 3.242 -1.158 1.00 0.00 H new ATOM 177 N ASN A 13 -1.963 6.354 -7.213 1.00 0.00 N ATOM 178 CA ASN A 13 -0.980 5.767 -8.103 1.00 0.00 C ATOM 179 C ASN A 13 0.266 6.618 -8.205 1.00 0.00 C ATOM 180 O ASN A 13 1.368 6.144 -7.943 1.00 0.00 O ATOM 181 CB ASN A 13 -1.565 5.593 -9.496 1.00 0.00 C ATOM 182 CG ASN A 13 -3.052 5.259 -9.514 1.00 0.00 C ATOM 183 OD1 ASN A 13 -3.566 4.663 -8.438 1.00 0.00 O flip ATOM 184 ND2 ASN A 13 -3.736 5.533 -10.498 1.00 0.00 N flip ATOM 0 H ASN A 13 -2.924 6.261 -7.542 1.00 0.00 H new ATOM 0 HA ASN A 13 -0.709 4.798 -7.683 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -1.404 6.510 -10.062 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -1.020 4.801 -10.010 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -3.310 5.989 -11.304 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -4.730 5.304 -10.508 1.00 0.00 H new ATOM 191 N GLU A 14 0.098 7.866 -8.591 1.00 0.00 N ATOM 192 CA GLU A 14 1.240 8.755 -8.703 1.00 0.00 C ATOM 193 C GLU A 14 1.993 8.794 -7.366 1.00 0.00 C ATOM 194 O GLU A 14 3.222 8.747 -7.316 1.00 0.00 O ATOM 195 CB GLU A 14 0.763 10.157 -9.108 1.00 0.00 C ATOM 196 CG GLU A 14 0.308 11.012 -7.938 1.00 0.00 C ATOM 197 CD GLU A 14 1.407 11.909 -7.400 1.00 0.00 C ATOM 198 OE1 GLU A 14 2.596 11.584 -7.606 1.00 0.00 O ATOM 199 OE2 GLU A 14 1.078 12.939 -6.775 1.00 0.00 O ATOM 0 H GLU A 14 -0.801 8.284 -8.829 1.00 0.00 H new ATOM 0 HA GLU A 14 1.921 8.389 -9.471 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.572 10.670 -9.627 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -0.060 10.060 -9.817 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -0.536 11.627 -8.251 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -0.049 10.364 -7.138 1.00 0.00 H new ATOM 206 N ALA A 15 1.217 8.801 -6.288 1.00 0.00 N ATOM 207 CA ALA A 15 1.732 8.879 -4.928 1.00 0.00 C ATOM 208 C ALA A 15 2.363 7.584 -4.430 1.00 0.00 C ATOM 209 O ALA A 15 3.358 7.615 -3.707 1.00 0.00 O ATOM 210 CB ALA A 15 0.594 9.257 -3.993 1.00 0.00 C ATOM 0 H ALA A 15 0.199 8.752 -6.336 1.00 0.00 H new ATOM 0 HA ALA A 15 2.522 9.630 -4.937 1.00 0.00 H new ATOM 0 HB1 ALA A 15 0.968 9.318 -2.971 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.186 10.223 -4.289 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -0.189 8.500 -4.048 1.00 0.00 H new ATOM 216 N VAL A 16 1.795 6.448 -4.805 1.00 0.00 N ATOM 217 CA VAL A 16 2.290 5.188 -4.307 1.00 0.00 C ATOM 218 C VAL A 16 3.387 4.636 -5.149 1.00 0.00 C ATOM 219 O VAL A 16 4.406 4.169 -4.639 1.00 0.00 O ATOM 220 CB VAL A 16 1.166 4.159 -4.133 1.00 0.00 C ATOM 221 CG1 VAL A 16 0.170 4.254 -5.267 1.00 0.00 C ATOM 222 CG2 VAL A 16 1.722 2.750 -3.999 1.00 0.00 C ATOM 0 H VAL A 16 1.003 6.379 -5.444 1.00 0.00 H new ATOM 0 HA VAL A 16 2.709 5.396 -3.322 1.00 0.00 H new ATOM 0 HB VAL A 16 0.640 4.390 -3.206 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.618 3.515 -5.122 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.268 5.252 -5.284 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.677 4.064 -6.213 1.00 0.00 H new ATOM 0 HG21 VAL A 16 0.900 2.045 -3.877 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.289 2.496 -4.895 1.00 0.00 H new ATOM 0 HG23 VAL A 16 2.376 2.698 -3.129 1.00 0.00 H new ATOM 232 N ARG A 17 3.182 4.682 -6.432 1.00 0.00 N ATOM 233 CA ARG A 17 4.164 4.174 -7.332 1.00 0.00 C ATOM 234 C ARG A 17 5.498 4.812 -7.086 1.00 0.00 C ATOM 235 O ARG A 17 6.543 4.154 -7.136 1.00 0.00 O ATOM 236 CB ARG A 17 3.682 4.311 -8.769 1.00 0.00 C ATOM 237 CG ARG A 17 2.427 3.502 -9.049 1.00 0.00 C ATOM 238 CD ARG A 17 2.291 2.303 -8.122 1.00 0.00 C ATOM 239 NE ARG A 17 0.997 2.230 -7.525 1.00 0.00 N ATOM 240 CZ ARG A 17 0.732 1.426 -6.540 1.00 0.00 C ATOM 241 NH1 ARG A 17 1.543 0.428 -6.248 1.00 0.00 N ATOM 242 NH2 ARG A 17 -0.365 1.585 -5.874 1.00 0.00 N ATOM 0 H ARG A 17 2.346 5.065 -6.874 1.00 0.00 H new ATOM 0 HA ARG A 17 4.305 3.109 -7.150 1.00 0.00 H new ATOM 0 HB2 ARG A 17 3.487 5.362 -8.983 1.00 0.00 H new ATOM 0 HB3 ARG A 17 4.474 3.990 -9.445 1.00 0.00 H new ATOM 0 HG2 ARG A 17 1.553 4.143 -8.940 1.00 0.00 H new ATOM 0 HG3 ARG A 17 2.443 3.158 -10.083 1.00 0.00 H new ATOM 0 HD2 ARG A 17 2.483 1.388 -8.683 1.00 0.00 H new ATOM 0 HD3 ARG A 17 3.048 2.362 -7.340 1.00 0.00 H new ATOM 0 HE ARG A 17 0.254 2.830 -7.884 1.00 0.00 H new ATOM 0 HH11 ARG A 17 2.389 0.281 -6.798 1.00 0.00 H new ATOM 0 HH12 ARG A 17 1.324 -0.197 -5.472 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -1.010 2.335 -6.125 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -0.586 0.961 -5.098 1.00 0.00 H new ATOM 256 N VAL A 18 5.474 6.070 -6.755 1.00 0.00 N ATOM 257 CA VAL A 18 6.702 6.741 -6.483 1.00 0.00 C ATOM 258 C VAL A 18 7.242 6.315 -5.129 1.00 0.00 C ATOM 259 O VAL A 18 8.395 5.949 -5.017 1.00 0.00 O ATOM 260 CB VAL A 18 6.522 8.266 -6.517 1.00 0.00 C ATOM 261 CG1 VAL A 18 6.013 8.696 -7.885 1.00 0.00 C ATOM 262 CG2 VAL A 18 5.569 8.716 -5.415 1.00 0.00 C ATOM 0 H VAL A 18 4.632 6.640 -6.669 1.00 0.00 H new ATOM 0 HA VAL A 18 7.415 6.464 -7.260 1.00 0.00 H new ATOM 0 HB VAL A 18 7.487 8.742 -6.340 1.00 0.00 H new ATOM 0 HG11 VAL A 18 5.887 9.779 -7.903 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.732 8.402 -8.650 1.00 0.00 H new ATOM 0 HG13 VAL A 18 5.055 8.216 -8.084 1.00 0.00 H new ATOM 0 HG21 VAL A 18 5.453 9.799 -5.454 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.598 8.242 -5.558 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.974 8.429 -4.444 1.00 0.00 H new ATOM 272 N PHE A 19 6.364 6.228 -4.138 1.00 0.00 N ATOM 273 CA PHE A 19 6.786 5.938 -2.774 1.00 0.00 C ATOM 274 C PHE A 19 7.393 4.541 -2.580 1.00 0.00 C ATOM 275 O PHE A 19 8.430 4.394 -1.907 1.00 0.00 O ATOM 276 CB PHE A 19 5.621 6.266 -1.793 1.00 0.00 C ATOM 277 CG PHE A 19 4.619 5.183 -1.429 1.00 0.00 C ATOM 278 CD1 PHE A 19 4.989 3.886 -1.142 1.00 0.00 C ATOM 279 CD2 PHE A 19 3.276 5.505 -1.353 1.00 0.00 C ATOM 280 CE1 PHE A 19 4.049 2.931 -0.808 1.00 0.00 C ATOM 281 CE2 PHE A 19 2.329 4.557 -1.019 1.00 0.00 C ATOM 282 CZ PHE A 19 2.717 3.267 -0.751 1.00 0.00 C ATOM 0 H PHE A 19 5.358 6.354 -4.253 1.00 0.00 H new ATOM 0 HA PHE A 19 7.626 6.592 -2.538 1.00 0.00 H new ATOM 0 HB2 PHE A 19 6.067 6.623 -0.865 1.00 0.00 H new ATOM 0 HB3 PHE A 19 5.061 7.099 -2.218 1.00 0.00 H new ATOM 0 HD1 PHE A 19 6.033 3.612 -1.179 1.00 0.00 H new ATOM 0 HD2 PHE A 19 2.962 6.518 -1.559 1.00 0.00 H new ATOM 0 HE1 PHE A 19 4.360 1.920 -0.591 1.00 0.00 H new ATOM 0 HE2 PHE A 19 1.285 4.829 -0.969 1.00 0.00 H new ATOM 0 HZ PHE A 19 1.979 2.520 -0.497 1.00 0.00 H new ATOM 292 N THR A 20 6.830 3.514 -3.203 1.00 0.00 N ATOM 293 CA THR A 20 7.356 2.186 -2.959 1.00 0.00 C ATOM 294 C THR A 20 8.601 1.891 -3.769 1.00 0.00 C ATOM 295 O THR A 20 9.609 1.475 -3.196 1.00 0.00 O ATOM 296 CB THR A 20 6.316 1.087 -3.158 1.00 0.00 C ATOM 297 OG1 THR A 20 5.498 0.995 -2.002 1.00 0.00 O ATOM 298 CG2 THR A 20 6.986 -0.245 -3.424 1.00 0.00 C ATOM 0 H THR A 20 6.045 3.571 -3.852 1.00 0.00 H new ATOM 0 HA THR A 20 7.637 2.184 -1.906 1.00 0.00 H new ATOM 0 HB THR A 20 5.701 1.339 -4.022 1.00 0.00 H new ATOM 0 HG1 THR A 20 5.516 1.848 -1.520 1.00 0.00 H new ATOM 0 HG21 THR A 20 6.226 -1.014 -3.563 1.00 0.00 H new ATOM 0 HG22 THR A 20 7.596 -0.172 -4.324 1.00 0.00 H new ATOM 0 HG23 THR A 20 7.619 -0.510 -2.577 1.00 0.00 H new ATOM 306 N GLN A 21 8.572 2.086 -5.086 1.00 0.00 N ATOM 307 CA GLN A 21 9.777 1.812 -5.840 1.00 0.00 C ATOM 308 C GLN A 21 10.849 2.787 -5.395 1.00 0.00 C ATOM 309 O GLN A 21 12.018 2.610 -5.695 1.00 0.00 O ATOM 310 CB GLN A 21 9.556 1.841 -7.354 1.00 0.00 C ATOM 311 CG GLN A 21 9.082 0.498 -7.940 1.00 0.00 C ATOM 312 CD GLN A 21 9.654 -0.706 -7.235 1.00 0.00 C ATOM 313 OE1 GLN A 21 8.961 -1.157 -6.194 1.00 0.00 O flip ATOM 314 NE2 GLN A 21 10.703 -1.225 -7.616 1.00 0.00 N flip ATOM 0 H GLN A 21 7.770 2.415 -5.624 1.00 0.00 H new ATOM 0 HA GLN A 21 10.100 0.792 -5.630 1.00 0.00 H new ATOM 0 HB2 GLN A 21 8.820 2.609 -7.589 1.00 0.00 H new ATOM 0 HB3 GLN A 21 10.487 2.131 -7.842 1.00 0.00 H new ATOM 0 HG2 GLN A 21 7.994 0.454 -7.891 1.00 0.00 H new ATOM 0 HG3 GLN A 21 9.356 0.455 -8.994 1.00 0.00 H new ATOM 0 HE21 GLN A 21 11.199 -0.842 -8.421 1.00 0.00 H new ATOM 0 HE22 GLN A 21 11.077 -2.038 -7.127 1.00 0.00 H new ATOM 323 N LEU A 22 10.444 3.826 -4.661 1.00 0.00 N ATOM 324 CA LEU A 22 11.415 4.764 -4.127 1.00 0.00 C ATOM 325 C LEU A 22 12.368 3.974 -3.261 1.00 0.00 C ATOM 326 O LEU A 22 13.585 4.134 -3.343 1.00 0.00 O ATOM 327 CB LEU A 22 10.762 5.866 -3.274 1.00 0.00 C ATOM 328 CG LEU A 22 10.436 7.200 -3.974 1.00 0.00 C ATOM 329 CD1 LEU A 22 11.128 8.344 -3.264 1.00 0.00 C ATOM 330 CD2 LEU A 22 10.807 7.188 -5.457 1.00 0.00 C ATOM 0 H LEU A 22 9.472 4.031 -4.430 1.00 0.00 H new ATOM 0 HA LEU A 22 11.920 5.259 -4.957 1.00 0.00 H new ATOM 0 HB2 LEU A 22 9.836 5.468 -2.859 1.00 0.00 H new ATOM 0 HB3 LEU A 22 11.423 6.078 -2.434 1.00 0.00 H new ATOM 0 HG LEU A 22 9.356 7.339 -3.918 1.00 0.00 H new ATOM 0 HD11 LEU A 22 10.891 9.281 -3.767 1.00 0.00 H new ATOM 0 HD12 LEU A 22 10.786 8.390 -2.230 1.00 0.00 H new ATOM 0 HD13 LEU A 22 12.206 8.185 -3.283 1.00 0.00 H new ATOM 0 HD21 LEU A 22 10.557 8.151 -5.902 1.00 0.00 H new ATOM 0 HD22 LEU A 22 11.876 7.006 -5.563 1.00 0.00 H new ATOM 0 HD23 LEU A 22 10.253 6.399 -5.964 1.00 0.00 H new ATOM 342 N SER A 23 11.796 3.102 -2.431 1.00 0.00 N ATOM 343 CA SER A 23 12.607 2.268 -1.550 1.00 0.00 C ATOM 344 C SER A 23 13.387 1.189 -2.320 1.00 0.00 C ATOM 345 O SER A 23 14.594 1.036 -2.117 1.00 0.00 O ATOM 346 CB SER A 23 11.745 1.624 -0.458 1.00 0.00 C ATOM 347 OG SER A 23 11.462 2.554 0.573 1.00 0.00 O ATOM 0 H SER A 23 10.790 2.957 -2.351 1.00 0.00 H new ATOM 0 HA SER A 23 13.338 2.926 -1.081 1.00 0.00 H new ATOM 0 HB2 SER A 23 10.813 1.260 -0.891 1.00 0.00 H new ATOM 0 HB3 SER A 23 12.263 0.760 -0.042 1.00 0.00 H new ATOM 0 HG SER A 23 10.499 2.733 0.597 1.00 0.00 H new ATOM 353 N SER A 24 12.718 0.442 -3.201 1.00 0.00 N ATOM 354 CA SER A 24 13.392 -0.618 -3.952 1.00 0.00 C ATOM 355 C SER A 24 14.338 -0.063 -4.999 1.00 0.00 C ATOM 356 O SER A 24 15.513 -0.431 -5.029 1.00 0.00 O ATOM 357 CB SER A 24 12.386 -1.545 -4.611 1.00 0.00 C ATOM 358 OG SER A 24 11.331 -0.806 -5.181 1.00 0.00 O ATOM 0 H SER A 24 11.725 0.549 -3.410 1.00 0.00 H new ATOM 0 HA SER A 24 13.981 -1.184 -3.231 1.00 0.00 H new ATOM 0 HB2 SER A 24 12.880 -2.138 -5.381 1.00 0.00 H new ATOM 0 HB3 SER A 24 11.991 -2.245 -3.874 1.00 0.00 H new ATOM 0 HG SER A 24 10.544 -1.382 -5.280 1.00 0.00 H new ATOM 364 N ALA A 25 13.825 0.798 -5.873 1.00 0.00 N ATOM 365 CA ALA A 25 14.656 1.402 -6.901 1.00 0.00 C ATOM 366 C ALA A 25 15.916 1.931 -6.244 1.00 0.00 C ATOM 367 O ALA A 25 16.997 1.919 -6.828 1.00 0.00 O ATOM 368 CB ALA A 25 13.907 2.520 -7.627 1.00 0.00 C ATOM 0 H ALA A 25 12.847 1.089 -5.888 1.00 0.00 H new ATOM 0 HA ALA A 25 14.916 0.654 -7.650 1.00 0.00 H new ATOM 0 HB1 ALA A 25 14.552 2.954 -8.391 1.00 0.00 H new ATOM 0 HB2 ALA A 25 13.012 2.113 -8.097 1.00 0.00 H new ATOM 0 HB3 ALA A 25 13.622 3.291 -6.911 1.00 0.00 H new ATOM 374 N ALA A 26 15.757 2.360 -4.996 1.00 0.00 N ATOM 375 CA ALA A 26 16.863 2.886 -4.214 1.00 0.00 C ATOM 376 C ALA A 26 17.946 1.833 -3.998 1.00 0.00 C ATOM 377 O ALA A 26 19.133 2.135 -4.117 1.00 0.00 O ATOM 378 CB ALA A 26 16.366 3.418 -2.876 1.00 0.00 C ATOM 0 H ALA A 26 14.864 2.352 -4.504 1.00 0.00 H new ATOM 0 HA ALA A 26 17.305 3.708 -4.777 1.00 0.00 H new ATOM 0 HB1 ALA A 26 17.208 3.808 -2.304 1.00 0.00 H new ATOM 0 HB2 ALA A 26 15.643 4.216 -3.047 1.00 0.00 H new ATOM 0 HB3 ALA A 26 15.890 2.612 -2.318 1.00 0.00 H new ATOM 384 N ASN A 27 17.551 0.596 -3.679 1.00 0.00 N ATOM 385 CA ASN A 27 18.548 -0.451 -3.449 1.00 0.00 C ATOM 386 C ASN A 27 18.016 -1.888 -3.582 1.00 0.00 C ATOM 387 O ASN A 27 18.736 -2.756 -4.077 1.00 0.00 O ATOM 388 CB ASN A 27 19.188 -0.268 -2.070 1.00 0.00 C ATOM 389 CG ASN A 27 18.204 0.193 -1.006 1.00 0.00 C ATOM 390 OD1 ASN A 27 16.917 -0.063 -1.221 1.00 0.00 O flip ATOM 391 ND2 ASN A 27 18.598 0.785 -0.002 1.00 0.00 N flip ATOM 0 H ASN A 27 16.580 0.302 -3.577 1.00 0.00 H new ATOM 0 HA ASN A 27 19.284 -0.331 -4.244 1.00 0.00 H new ATOM 0 HB2 ASN A 27 19.635 -1.211 -1.757 1.00 0.00 H new ATOM 0 HB3 ASN A 27 19.997 0.459 -2.146 1.00 0.00 H new ATOM 0 HD21 ASN A 27 19.594 0.963 0.127 1.00 0.00 H new ATOM 0 HD22 ASN A 27 17.929 1.098 0.701 1.00 0.00 H new ATOM 398 N CYS A 28 16.776 -2.156 -3.161 1.00 0.00 N ATOM 399 CA CYS A 28 16.247 -3.525 -3.220 1.00 0.00 C ATOM 400 C CYS A 28 14.780 -3.605 -2.809 1.00 0.00 C ATOM 401 O CYS A 28 14.269 -2.716 -2.161 1.00 0.00 O ATOM 402 CB CYS A 28 17.074 -4.412 -2.284 1.00 0.00 C ATOM 403 SG CYS A 28 16.140 -5.726 -1.440 1.00 0.00 S ATOM 0 H CYS A 28 16.131 -1.462 -2.784 1.00 0.00 H new ATOM 0 HA CYS A 28 16.316 -3.863 -4.254 1.00 0.00 H new ATOM 0 HB2 CYS A 28 17.877 -4.871 -2.860 1.00 0.00 H new ATOM 0 HB3 CYS A 28 17.543 -3.780 -1.530 1.00 0.00 H new ATOM 408 N ASP A 29 14.117 -4.688 -3.201 1.00 0.00 N ATOM 409 CA ASP A 29 12.717 -4.920 -2.837 1.00 0.00 C ATOM 410 C ASP A 29 12.607 -6.126 -1.903 1.00 0.00 C ATOM 411 O ASP A 29 13.420 -7.047 -1.992 1.00 0.00 O ATOM 412 CB ASP A 29 11.873 -5.163 -4.092 1.00 0.00 C ATOM 413 CG ASP A 29 12.701 -5.664 -5.258 1.00 0.00 C ATOM 414 OD1 ASP A 29 13.237 -4.825 -6.011 1.00 0.00 O ATOM 415 OD2 ASP A 29 12.813 -6.898 -5.420 1.00 0.00 O ATOM 0 H ASP A 29 14.527 -5.425 -3.775 1.00 0.00 H new ATOM 0 HA ASP A 29 12.343 -4.034 -2.324 1.00 0.00 H new ATOM 0 HB2 ASP A 29 11.092 -5.889 -3.866 1.00 0.00 H new ATOM 0 HB3 ASP A 29 11.374 -4.236 -4.376 1.00 0.00 H new ATOM 420 N TRP A 30 11.613 -6.138 -1.004 1.00 0.00 N ATOM 421 CA TRP A 30 11.464 -7.274 -0.096 1.00 0.00 C ATOM 422 C TRP A 30 11.058 -8.496 -0.911 1.00 0.00 C ATOM 423 O TRP A 30 11.632 -9.574 -0.762 1.00 0.00 O ATOM 424 CB TRP A 30 10.462 -6.995 1.055 1.00 0.00 C ATOM 425 CG TRP A 30 9.134 -6.482 0.639 1.00 0.00 C ATOM 426 CD1 TRP A 30 8.170 -7.099 -0.099 1.00 0.00 C ATOM 427 CD2 TRP A 30 8.621 -5.217 0.998 1.00 0.00 C ATOM 428 NE1 TRP A 30 7.103 -6.251 -0.263 1.00 0.00 N ATOM 429 CE2 TRP A 30 7.366 -5.086 0.409 1.00 0.00 C ATOM 430 CE3 TRP A 30 9.129 -4.168 1.755 1.00 0.00 C ATOM 431 CZ2 TRP A 30 6.613 -3.939 0.551 1.00 0.00 C ATOM 432 CZ3 TRP A 30 8.381 -3.033 1.904 1.00 0.00 C ATOM 433 CH2 TRP A 30 7.137 -2.919 1.303 1.00 0.00 C ATOM 0 H TRP A 30 10.922 -5.397 -0.890 1.00 0.00 H new ATOM 0 HA TRP A 30 12.421 -7.457 0.393 1.00 0.00 H new ATOM 0 HB2 TRP A 30 10.315 -7.918 1.617 1.00 0.00 H new ATOM 0 HB3 TRP A 30 10.912 -6.274 1.738 1.00 0.00 H new ATOM 0 HD1 TRP A 30 8.235 -8.102 -0.495 1.00 0.00 H new ATOM 0 HE1 TRP A 30 6.257 -6.454 -0.795 1.00 0.00 H new ATOM 0 HE3 TRP A 30 10.101 -4.248 2.219 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 5.643 -3.847 0.085 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 8.764 -2.216 2.497 1.00 0.00 H new ATOM 0 HH2 TRP A 30 6.569 -2.009 1.430 1.00 0.00 H new ATOM 444 N ALA A 31 10.084 -8.284 -1.802 1.00 0.00 N ATOM 445 CA ALA A 31 9.577 -9.315 -2.706 1.00 0.00 C ATOM 446 C ALA A 31 8.786 -10.393 -1.969 1.00 0.00 C ATOM 447 O ALA A 31 7.719 -10.820 -2.413 1.00 0.00 O ATOM 448 CB ALA A 31 10.728 -9.932 -3.478 1.00 0.00 C ATOM 0 H ALA A 31 9.622 -7.382 -1.915 1.00 0.00 H new ATOM 0 HA ALA A 31 8.887 -8.836 -3.401 1.00 0.00 H new ATOM 0 HB1 ALA A 31 10.345 -10.700 -4.150 1.00 0.00 H new ATOM 0 HB2 ALA A 31 11.232 -9.160 -4.059 1.00 0.00 H new ATOM 0 HB3 ALA A 31 11.435 -10.381 -2.780 1.00 0.00 H new ATOM 454 N ALA A 32 9.315 -10.826 -0.844 1.00 0.00 N ATOM 455 CA ALA A 32 8.672 -11.860 -0.047 1.00 0.00 C ATOM 456 C ALA A 32 7.397 -11.344 0.605 1.00 0.00 C ATOM 457 O ALA A 32 6.376 -12.036 0.640 1.00 0.00 O ATOM 458 CB ALA A 32 9.631 -12.383 1.011 1.00 0.00 C ATOM 0 H ALA A 32 10.192 -10.479 -0.456 1.00 0.00 H new ATOM 0 HA ALA A 32 8.400 -12.677 -0.715 1.00 0.00 H new ATOM 0 HB1 ALA A 32 9.137 -13.156 1.600 1.00 0.00 H new ATOM 0 HB2 ALA A 32 10.513 -12.804 0.527 1.00 0.00 H new ATOM 0 HB3 ALA A 32 9.932 -11.565 1.666 1.00 0.00 H new ATOM 464 N CYS A 33 7.452 -10.118 1.113 1.00 0.00 N ATOM 465 CA CYS A 33 6.302 -9.529 1.777 1.00 0.00 C ATOM 466 C CYS A 33 5.164 -9.255 0.816 1.00 0.00 C ATOM 467 O CYS A 33 4.026 -9.575 1.106 1.00 0.00 O ATOM 468 CB CYS A 33 6.676 -8.244 2.494 1.00 0.00 C ATOM 469 SG CYS A 33 6.108 -8.196 4.229 1.00 0.00 S ATOM 0 H CYS A 33 8.276 -9.518 1.077 1.00 0.00 H new ATOM 0 HA CYS A 33 5.964 -10.263 2.508 1.00 0.00 H new ATOM 0 HB2 CYS A 33 7.759 -8.124 2.470 1.00 0.00 H new ATOM 0 HB3 CYS A 33 6.250 -7.398 1.955 1.00 0.00 H new ATOM 474 N LEU A 34 5.451 -8.656 -0.322 1.00 0.00 N ATOM 475 CA LEU A 34 4.387 -8.368 -1.262 1.00 0.00 C ATOM 476 C LEU A 34 3.588 -9.626 -1.551 1.00 0.00 C ATOM 477 O LEU A 34 2.360 -9.590 -1.601 1.00 0.00 O ATOM 478 CB LEU A 34 4.926 -7.722 -2.529 1.00 0.00 C ATOM 479 CG LEU A 34 6.303 -8.205 -2.953 1.00 0.00 C ATOM 480 CD1 LEU A 34 6.179 -9.212 -4.081 1.00 0.00 C ATOM 481 CD2 LEU A 34 7.165 -7.029 -3.367 1.00 0.00 C ATOM 0 H LEU A 34 6.385 -8.366 -0.613 1.00 0.00 H new ATOM 0 HA LEU A 34 3.710 -7.642 -0.811 1.00 0.00 H new ATOM 0 HB2 LEU A 34 4.224 -7.908 -3.342 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.964 -6.643 -2.382 1.00 0.00 H new ATOM 0 HG LEU A 34 6.783 -8.698 -2.108 1.00 0.00 H new ATOM 0 HD11 LEU A 34 7.172 -9.551 -4.377 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.590 -10.065 -3.744 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.686 -8.744 -4.934 1.00 0.00 H new ATOM 0 HD21 LEU A 34 8.149 -7.388 -3.669 1.00 0.00 H new ATOM 0 HD22 LEU A 34 6.696 -6.510 -4.203 1.00 0.00 H new ATOM 0 HD23 LEU A 34 7.271 -6.342 -2.527 1.00 0.00 H new ATOM 493 N SER A 35 4.274 -10.746 -1.711 1.00 0.00 N ATOM 494 CA SER A 35 3.584 -12.006 -1.932 1.00 0.00 C ATOM 495 C SER A 35 2.583 -12.219 -0.800 1.00 0.00 C ATOM 496 O SER A 35 1.492 -12.745 -1.002 1.00 0.00 O ATOM 497 CB SER A 35 4.584 -13.158 -1.957 1.00 0.00 C ATOM 498 OG SER A 35 3.939 -14.392 -2.221 1.00 0.00 O ATOM 0 H SER A 35 5.292 -10.809 -1.693 1.00 0.00 H new ATOM 0 HA SER A 35 3.066 -11.976 -2.891 1.00 0.00 H new ATOM 0 HB2 SER A 35 5.340 -12.970 -2.719 1.00 0.00 H new ATOM 0 HB3 SER A 35 5.103 -13.213 -1.000 1.00 0.00 H new ATOM 0 HG SER A 35 4.603 -15.112 -2.233 1.00 0.00 H new ATOM 504 N SER A 36 2.991 -11.785 0.390 1.00 0.00 N ATOM 505 CA SER A 36 2.178 -11.890 1.608 1.00 0.00 C ATOM 506 C SER A 36 0.766 -11.302 1.429 1.00 0.00 C ATOM 507 O SER A 36 -0.221 -11.942 1.794 1.00 0.00 O ATOM 508 CB SER A 36 2.892 -11.192 2.772 1.00 0.00 C ATOM 509 OG SER A 36 2.538 -11.774 4.015 1.00 0.00 O ATOM 0 H SER A 36 3.900 -11.347 0.542 1.00 0.00 H new ATOM 0 HA SER A 36 2.058 -12.951 1.826 1.00 0.00 H new ATOM 0 HB2 SER A 36 3.971 -11.257 2.631 1.00 0.00 H new ATOM 0 HB3 SER A 36 2.634 -10.133 2.777 1.00 0.00 H new ATOM 0 HG SER A 36 3.009 -11.311 4.739 1.00 0.00 H new ATOM 515 N LEU A 37 0.662 -10.084 0.885 1.00 0.00 N ATOM 516 CA LEU A 37 -0.660 -9.472 0.672 1.00 0.00 C ATOM 517 C LEU A 37 -1.420 -10.352 -0.279 1.00 0.00 C ATOM 518 O LEU A 37 -2.550 -10.752 -0.021 1.00 0.00 O ATOM 519 CB LEU A 37 -0.579 -8.053 0.090 1.00 0.00 C ATOM 520 CG LEU A 37 -1.821 -7.592 -0.671 1.00 0.00 C ATOM 521 CD1 LEU A 37 -2.987 -7.383 0.272 1.00 0.00 C ATOM 522 CD2 LEU A 37 -1.541 -6.333 -1.453 1.00 0.00 C ATOM 0 H LEU A 37 1.454 -9.513 0.590 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.156 -9.385 1.639 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.391 -7.353 0.904 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.279 -8.001 -0.580 1.00 0.00 H new ATOM 0 HG LEU A 37 -2.089 -8.378 -1.377 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.859 -7.055 -0.294 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.216 -8.319 0.781 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.727 -6.624 1.010 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.442 -6.027 -1.985 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.236 -5.540 -0.770 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.742 -6.520 -2.170 1.00 0.00 H new ATOM 534 N SER A 38 -0.762 -10.644 -1.387 1.00 0.00 N ATOM 535 CA SER A 38 -1.315 -11.502 -2.408 1.00 0.00 C ATOM 536 C SER A 38 -1.442 -12.932 -1.877 1.00 0.00 C ATOM 537 O SER A 38 -1.887 -13.839 -2.581 1.00 0.00 O ATOM 538 CB SER A 38 -0.418 -11.446 -3.648 1.00 0.00 C ATOM 539 OG SER A 38 0.127 -12.719 -3.952 1.00 0.00 O ATOM 0 H SER A 38 0.171 -10.290 -1.600 1.00 0.00 H new ATOM 0 HA SER A 38 -2.313 -11.160 -2.683 1.00 0.00 H new ATOM 0 HB2 SER A 38 -0.994 -11.083 -4.499 1.00 0.00 H new ATOM 0 HB3 SER A 38 0.390 -10.733 -3.482 1.00 0.00 H new ATOM 0 HG SER A 38 0.764 -12.977 -3.254 1.00 0.00 H new ATOM 545 N ALA A 39 -1.051 -13.108 -0.615 1.00 0.00 N ATOM 546 CA ALA A 39 -1.108 -14.407 0.051 1.00 0.00 C ATOM 547 C ALA A 39 -2.270 -14.458 1.038 1.00 0.00 C ATOM 548 O ALA A 39 -2.583 -15.517 1.580 1.00 0.00 O ATOM 549 CB ALA A 39 0.206 -14.699 0.760 1.00 0.00 C ATOM 0 H ALA A 39 -0.687 -12.357 -0.028 1.00 0.00 H new ATOM 0 HA ALA A 39 -1.271 -15.173 -0.707 1.00 0.00 H new ATOM 0 HB1 ALA A 39 0.147 -15.670 1.251 1.00 0.00 H new ATOM 0 HB2 ALA A 39 1.018 -14.709 0.032 1.00 0.00 H new ATOM 0 HB3 ALA A 39 0.397 -13.927 1.505 1.00 0.00 H new ATOM 555 N SER A 40 -2.871 -13.285 1.275 1.00 0.00 N ATOM 556 CA SER A 40 -4.035 -13.130 2.162 1.00 0.00 C ATOM 557 C SER A 40 -3.661 -12.800 3.601 1.00 0.00 C ATOM 558 O SER A 40 -2.852 -13.484 4.229 1.00 0.00 O ATOM 559 CB SER A 40 -4.934 -14.372 2.140 1.00 0.00 C ATOM 560 OG SER A 40 -6.167 -14.119 2.790 1.00 0.00 O ATOM 0 H SER A 40 -2.562 -12.409 0.854 1.00 0.00 H new ATOM 0 HA SER A 40 -4.584 -12.278 1.762 1.00 0.00 H new ATOM 0 HB2 SER A 40 -5.118 -14.674 1.109 1.00 0.00 H new ATOM 0 HB3 SER A 40 -4.425 -15.202 2.629 1.00 0.00 H new ATOM 0 HG SER A 40 -6.735 -13.569 2.211 1.00 0.00 H new ATOM 566 N SER A 41 -4.271 -11.727 4.104 1.00 0.00 N ATOM 567 CA SER A 41 -4.082 -11.284 5.479 1.00 0.00 C ATOM 568 C SER A 41 -5.448 -11.157 6.129 1.00 0.00 C ATOM 569 O SER A 41 -6.384 -10.646 5.518 1.00 0.00 O ATOM 570 CB SER A 41 -3.361 -9.935 5.541 1.00 0.00 C ATOM 571 OG SER A 41 -2.301 -9.881 4.601 1.00 0.00 O ATOM 0 H SER A 41 -4.910 -11.142 3.566 1.00 0.00 H new ATOM 0 HA SER A 41 -3.465 -12.014 6.004 1.00 0.00 H new ATOM 0 HB2 SER A 41 -4.069 -9.131 5.342 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.970 -9.774 6.545 1.00 0.00 H new ATOM 0 HG SER A 41 -2.646 -9.573 3.737 1.00 0.00 H new ATOM 577 N ALA A 42 -5.557 -11.613 7.364 1.00 0.00 N ATOM 578 CA ALA A 42 -6.823 -11.561 8.090 1.00 0.00 C ATOM 579 C ALA A 42 -7.334 -10.131 8.197 1.00 0.00 C ATOM 580 O ALA A 42 -8.466 -9.887 8.619 1.00 0.00 O ATOM 581 CB ALA A 42 -6.655 -12.163 9.475 1.00 0.00 C ATOM 0 H ALA A 42 -4.786 -12.025 7.890 1.00 0.00 H new ATOM 0 HA ALA A 42 -7.559 -12.143 7.535 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -7.605 -12.119 10.008 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -6.337 -13.202 9.384 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.903 -11.600 10.027 1.00 0.00 H new ATOM 587 N ALA A 43 -6.489 -9.194 7.796 1.00 0.00 N ATOM 588 CA ALA A 43 -6.810 -7.782 7.868 1.00 0.00 C ATOM 589 C ALA A 43 -7.549 -7.267 6.642 1.00 0.00 C ATOM 590 O ALA A 43 -8.671 -6.799 6.762 1.00 0.00 O ATOM 591 CB ALA A 43 -5.529 -6.994 8.091 1.00 0.00 C ATOM 0 H ALA A 43 -5.565 -9.393 7.413 1.00 0.00 H new ATOM 0 HA ALA A 43 -7.493 -7.644 8.706 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.761 -5.930 8.146 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -5.063 -7.313 9.024 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -4.843 -7.173 7.263 1.00 0.00 H new ATOM 597 N CYS A 44 -6.924 -7.354 5.474 1.00 0.00 N ATOM 598 CA CYS A 44 -7.539 -6.861 4.240 1.00 0.00 C ATOM 599 C CYS A 44 -9.025 -7.195 4.159 1.00 0.00 C ATOM 600 O CYS A 44 -9.815 -6.435 3.594 1.00 0.00 O ATOM 601 CB CYS A 44 -6.797 -7.395 3.019 1.00 0.00 C ATOM 602 SG CYS A 44 -5.671 -8.784 3.367 1.00 0.00 S ATOM 0 H CYS A 44 -5.996 -7.759 5.352 1.00 0.00 H new ATOM 0 HA CYS A 44 -7.458 -5.774 4.253 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -7.528 -7.714 2.276 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -6.224 -6.582 2.574 1.00 0.00 H new ATOM 607 N ILE A 45 -9.403 -8.330 4.714 1.00 0.00 N ATOM 608 CA ILE A 45 -10.795 -8.740 4.711 1.00 0.00 C ATOM 609 C ILE A 45 -11.545 -8.083 5.866 1.00 0.00 C ATOM 610 O ILE A 45 -12.634 -7.485 5.694 1.00 0.00 O ATOM 611 CB ILE A 45 -10.944 -10.269 4.774 1.00 0.00 C ATOM 612 CG1 ILE A 45 -9.646 -10.954 4.346 1.00 0.00 C ATOM 613 CG2 ILE A 45 -12.094 -10.721 3.883 1.00 0.00 C ATOM 614 CD1 ILE A 45 -8.996 -11.760 5.449 1.00 0.00 C ATOM 0 H ILE A 45 -8.768 -8.984 5.172 1.00 0.00 H new ATOM 0 HA ILE A 45 -11.232 -8.409 3.769 1.00 0.00 H new ATOM 0 HB ILE A 45 -11.161 -10.553 5.804 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -9.853 -11.611 3.501 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -8.943 -10.197 3.997 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -12.190 -11.805 3.935 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -13.021 -10.258 4.222 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -11.895 -10.424 2.853 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -8.080 -12.218 5.074 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -8.757 -11.104 6.287 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -9.681 -12.540 5.782 1.00 0.00 H new ATOM 626 N ALA A 46 -10.936 -8.141 7.047 1.00 0.00 N ATOM 627 CA ALA A 46 -11.558 -7.523 8.214 1.00 0.00 C ATOM 628 C ALA A 46 -11.732 -6.056 7.880 1.00 0.00 C ATOM 629 O ALA A 46 -12.549 -5.316 8.444 1.00 0.00 O ATOM 630 CB ALA A 46 -10.701 -7.715 9.456 1.00 0.00 C ATOM 0 H ALA A 46 -10.039 -8.595 7.220 1.00 0.00 H new ATOM 0 HA ALA A 46 -12.520 -7.984 8.438 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -11.188 -7.245 10.310 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.576 -8.780 9.651 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -9.724 -7.258 9.298 1.00 0.00 H new ATOM 636 N ALA A 47 -10.945 -5.682 6.896 1.00 0.00 N ATOM 637 CA ALA A 47 -10.910 -4.354 6.368 1.00 0.00 C ATOM 638 C ALA A 47 -12.184 -4.058 5.607 1.00 0.00 C ATOM 639 O ALA A 47 -12.792 -3.006 5.794 1.00 0.00 O ATOM 640 CB ALA A 47 -9.713 -4.233 5.455 1.00 0.00 C ATOM 0 H ALA A 47 -10.296 -6.319 6.434 1.00 0.00 H new ATOM 0 HA ALA A 47 -10.829 -3.634 7.182 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -9.670 -3.225 5.043 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -8.803 -4.433 6.020 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -9.801 -4.954 4.642 1.00 0.00 H new ATOM 646 N VAL A 48 -12.597 -5.003 4.760 1.00 0.00 N ATOM 647 CA VAL A 48 -13.804 -4.824 3.962 1.00 0.00 C ATOM 648 C VAL A 48 -14.885 -4.198 4.800 1.00 0.00 C ATOM 649 O VAL A 48 -15.684 -3.400 4.317 1.00 0.00 O ATOM 650 CB VAL A 48 -14.341 -6.157 3.407 1.00 0.00 C ATOM 651 CG1 VAL A 48 -15.457 -5.910 2.404 1.00 0.00 C ATOM 652 CG2 VAL A 48 -13.228 -6.975 2.782 1.00 0.00 C ATOM 0 H VAL A 48 -12.117 -5.891 4.612 1.00 0.00 H new ATOM 0 HA VAL A 48 -13.535 -4.180 3.125 1.00 0.00 H new ATOM 0 HB VAL A 48 -14.750 -6.729 4.240 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -15.822 -6.864 2.024 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -16.273 -5.377 2.892 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -15.076 -5.312 1.576 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -13.635 -7.911 2.399 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -12.778 -6.412 1.964 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -12.469 -7.191 3.534 1.00 0.00 H new ATOM 662 N GLY A 49 -14.908 -4.580 6.054 1.00 0.00 N ATOM 663 CA GLY A 49 -15.910 -4.040 6.957 1.00 0.00 C ATOM 664 C GLY A 49 -15.547 -2.733 7.665 1.00 0.00 C ATOM 665 O GLY A 49 -16.441 -1.992 8.066 1.00 0.00 O ATOM 0 H GLY A 49 -14.261 -5.249 6.472 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -16.829 -3.880 6.393 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -16.128 -4.792 7.716 1.00 0.00 H new ATOM 669 N GLU A 50 -14.262 -2.416 7.798 1.00 0.00 N ATOM 670 CA GLU A 50 -13.859 -1.248 8.598 1.00 0.00 C ATOM 671 C GLU A 50 -13.450 0.072 7.908 1.00 0.00 C ATOM 672 O GLU A 50 -12.633 0.792 8.469 1.00 0.00 O ATOM 673 CB GLU A 50 -12.848 -1.679 9.636 1.00 0.00 C ATOM 674 CG GLU A 50 -13.531 -2.448 10.733 1.00 0.00 C ATOM 675 CD GLU A 50 -13.329 -1.829 12.102 1.00 0.00 C ATOM 676 OE1 GLU A 50 -14.095 -0.909 12.456 1.00 0.00 O ATOM 677 OE2 GLU A 50 -12.405 -2.266 12.820 1.00 0.00 O ATOM 0 H GLU A 50 -13.492 -2.934 7.375 1.00 0.00 H new ATOM 0 HA GLU A 50 -14.805 -0.927 9.033 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -12.079 -2.297 9.172 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -12.346 -0.805 10.052 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -14.598 -2.505 10.520 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -13.153 -3.470 10.743 1.00 0.00 H new ATOM 684 N LEU A 51 -13.887 0.334 6.674 1.00 0.00 N ATOM 685 CA LEU A 51 -13.631 1.645 6.007 1.00 0.00 C ATOM 686 C LEU A 51 -12.590 1.554 4.932 1.00 0.00 C ATOM 687 O LEU A 51 -11.374 1.461 5.199 1.00 0.00 O ATOM 688 CB LEU A 51 -13.285 2.770 6.972 1.00 0.00 C ATOM 689 CG LEU A 51 -13.445 4.174 6.392 1.00 0.00 C ATOM 690 CD1 LEU A 51 -14.913 4.518 6.171 1.00 0.00 C ATOM 691 CD2 LEU A 51 -12.769 5.211 7.277 1.00 0.00 C ATOM 0 H LEU A 51 -14.417 -0.328 6.107 1.00 0.00 H new ATOM 0 HA LEU A 51 -14.585 1.899 5.545 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -13.917 2.681 7.855 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -12.255 2.643 7.304 1.00 0.00 H new ATOM 0 HG LEU A 51 -12.952 4.188 5.420 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -14.993 5.523 5.758 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -15.353 3.804 5.475 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -15.444 4.473 7.122 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -12.898 6.201 6.841 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -13.218 5.190 8.270 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -11.706 4.985 7.355 1.00 0.00 H new ATOM 703 N GLY A 52 -13.116 1.608 3.705 1.00 0.00 N ATOM 704 CA GLY A 52 -12.337 1.484 2.505 1.00 0.00 C ATOM 705 C GLY A 52 -11.430 0.325 2.625 1.00 0.00 C ATOM 706 O GLY A 52 -10.513 0.144 1.829 1.00 0.00 O ATOM 0 H GLY A 52 -14.112 1.742 3.532 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -12.993 1.358 1.644 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -11.761 2.394 2.337 1.00 0.00 H new ATOM 710 N LEU A 53 -11.744 -0.457 3.645 1.00 0.00 N ATOM 711 CA LEU A 53 -11.021 -1.630 4.016 1.00 0.00 C ATOM 712 C LEU A 53 -10.037 -1.250 5.106 1.00 0.00 C ATOM 713 O LEU A 53 -8.841 -1.512 4.983 1.00 0.00 O ATOM 714 CB LEU A 53 -10.320 -2.301 2.829 1.00 0.00 C ATOM 715 CG LEU A 53 -11.196 -2.696 1.622 1.00 0.00 C ATOM 716 CD1 LEU A 53 -10.957 -4.149 1.229 1.00 0.00 C ATOM 717 CD2 LEU A 53 -12.673 -2.456 1.904 1.00 0.00 C ATOM 0 H LEU A 53 -12.543 -0.272 4.251 1.00 0.00 H new ATOM 0 HA LEU A 53 -11.725 -2.375 4.387 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -9.540 -1.628 2.474 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -9.824 -3.200 3.194 1.00 0.00 H new ATOM 0 HG LEU A 53 -10.907 -2.060 0.786 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -11.586 -4.403 0.376 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -9.909 -4.286 0.961 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -11.204 -4.798 2.069 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -13.261 -2.745 1.033 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -12.981 -3.051 2.764 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -12.836 -1.400 2.118 1.00 0.00 H new ATOM 729 N ASP A 54 -10.562 -0.623 6.183 1.00 0.00 N ATOM 730 CA ASP A 54 -9.734 -0.186 7.302 1.00 0.00 C ATOM 731 C ASP A 54 -8.291 -0.198 6.897 1.00 0.00 C ATOM 732 O ASP A 54 -7.676 -1.254 6.897 1.00 0.00 O ATOM 733 CB ASP A 54 -9.906 -1.115 8.490 1.00 0.00 C ATOM 734 CG ASP A 54 -9.862 -0.385 9.818 1.00 0.00 C ATOM 735 OD1 ASP A 54 -10.229 0.809 9.854 1.00 0.00 O ATOM 736 OD2 ASP A 54 -9.469 -1.010 10.825 1.00 0.00 O ATOM 0 H ASP A 54 -11.555 -0.414 6.290 1.00 0.00 H new ATOM 0 HA ASP A 54 -10.043 0.821 7.581 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -10.857 -1.640 8.400 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -9.122 -1.872 8.470 1.00 0.00 H new ATOM 741 N VAL A 55 -7.752 0.942 6.518 1.00 0.00 N ATOM 742 CA VAL A 55 -6.350 0.962 6.093 1.00 0.00 C ATOM 743 C VAL A 55 -5.472 0.076 6.970 1.00 0.00 C ATOM 744 O VAL A 55 -4.713 -0.726 6.424 1.00 0.00 O ATOM 745 CB VAL A 55 -5.727 2.375 5.986 1.00 0.00 C ATOM 746 CG1 VAL A 55 -4.851 2.717 7.190 1.00 0.00 C ATOM 747 CG2 VAL A 55 -4.919 2.468 4.699 1.00 0.00 C ATOM 0 H VAL A 55 -8.234 1.841 6.492 1.00 0.00 H new ATOM 0 HA VAL A 55 -6.377 0.558 5.081 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.539 3.102 5.972 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -4.438 3.718 7.067 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.452 2.682 8.099 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -4.038 1.995 7.265 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -4.477 3.461 4.618 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.127 1.719 4.711 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -5.573 2.291 3.845 1.00 0.00 H new ATOM 757 N PRO A 56 -5.576 0.162 8.331 1.00 0.00 N ATOM 758 CA PRO A 56 -4.748 -0.658 9.218 1.00 0.00 C ATOM 759 C PRO A 56 -4.908 -2.126 8.892 1.00 0.00 C ATOM 760 O PRO A 56 -4.099 -2.961 9.299 1.00 0.00 O ATOM 761 CB PRO A 56 -5.279 -0.357 10.625 1.00 0.00 C ATOM 762 CG PRO A 56 -6.610 0.274 10.414 1.00 0.00 C ATOM 763 CD PRO A 56 -6.507 1.008 9.111 1.00 0.00 C ATOM 0 HA PRO A 56 -3.686 -0.434 9.118 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -5.365 -1.268 11.217 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -4.608 0.311 11.164 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -7.399 -0.477 10.379 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -6.854 0.955 11.229 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -7.476 1.101 8.621 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -6.120 2.018 9.245 1.00 0.00 H new ATOM 771 N LEU A 57 -6.000 -2.441 8.216 1.00 0.00 N ATOM 772 CA LEU A 57 -6.260 -3.795 7.805 1.00 0.00 C ATOM 773 C LEU A 57 -5.844 -4.070 6.356 1.00 0.00 C ATOM 774 O LEU A 57 -4.904 -4.813 6.116 1.00 0.00 O ATOM 775 CB LEU A 57 -7.725 -4.153 8.018 1.00 0.00 C ATOM 776 CG LEU A 57 -8.249 -3.965 9.447 1.00 0.00 C ATOM 777 CD1 LEU A 57 -9.705 -4.382 9.539 1.00 0.00 C ATOM 778 CD2 LEU A 57 -7.409 -4.757 10.440 1.00 0.00 C ATOM 0 H LEU A 57 -6.718 -1.770 7.943 1.00 0.00 H new ATOM 0 HA LEU A 57 -5.642 -4.434 8.436 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -8.331 -3.547 7.345 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -7.872 -5.194 7.729 1.00 0.00 H new ATOM 0 HG LEU A 57 -8.173 -2.907 9.700 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -10.060 -4.242 10.560 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -10.302 -3.772 8.861 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -9.801 -5.432 9.263 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -7.799 -4.608 11.447 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -7.450 -5.817 10.188 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.375 -4.414 10.397 1.00 0.00 H new ATOM 790 N ASP A 58 -6.549 -3.454 5.394 1.00 0.00 N ATOM 791 CA ASP A 58 -6.303 -3.693 3.962 1.00 0.00 C ATOM 792 C ASP A 58 -5.031 -3.112 3.403 1.00 0.00 C ATOM 793 O ASP A 58 -4.187 -3.853 2.921 1.00 0.00 O ATOM 794 CB ASP A 58 -7.452 -3.160 3.140 1.00 0.00 C ATOM 795 CG ASP A 58 -7.148 -3.104 1.654 1.00 0.00 C ATOM 796 OD1 ASP A 58 -6.249 -3.840 1.201 1.00 0.00 O ATOM 797 OD2 ASP A 58 -7.805 -2.314 0.946 1.00 0.00 O ATOM 0 H ASP A 58 -7.296 -2.785 5.582 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.203 -4.776 3.894 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.328 -3.788 3.302 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.708 -2.160 3.490 1.00 0.00 H new ATOM 802 N LEU A 59 -4.892 -1.803 3.419 1.00 0.00 N ATOM 803 CA LEU A 59 -3.706 -1.213 2.848 1.00 0.00 C ATOM 804 C LEU A 59 -2.549 -1.509 3.725 1.00 0.00 C ATOM 805 O LEU A 59 -1.420 -1.237 3.384 1.00 0.00 O ATOM 806 CB LEU A 59 -3.855 0.257 2.547 1.00 0.00 C ATOM 807 CG LEU A 59 -4.102 0.539 1.069 1.00 0.00 C ATOM 808 CD1 LEU A 59 -2.814 0.511 0.282 1.00 0.00 C ATOM 809 CD2 LEU A 59 -5.098 -0.458 0.477 1.00 0.00 C ATOM 0 H LEU A 59 -5.566 -1.145 3.810 1.00 0.00 H new ATOM 0 HA LEU A 59 -3.532 -1.666 1.872 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -4.682 0.660 3.132 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -2.954 0.781 2.866 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.527 1.540 0.998 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.024 0.716 -0.768 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.134 1.269 0.670 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.352 -0.472 0.374 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.255 -0.233 -0.578 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.704 -1.469 0.577 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.047 -0.384 1.009 1.00 0.00 H new ATOM 821 N ALA A 60 -2.879 -1.971 4.905 1.00 0.00 N ATOM 822 CA ALA A 60 -1.890 -2.390 5.854 1.00 0.00 C ATOM 823 C ALA A 60 -1.576 -3.842 5.550 1.00 0.00 C ATOM 824 O ALA A 60 -0.474 -4.314 5.779 1.00 0.00 O ATOM 825 CB ALA A 60 -2.404 -2.212 7.255 1.00 0.00 C ATOM 0 H ALA A 60 -3.841 -2.065 5.230 1.00 0.00 H new ATOM 0 HA ALA A 60 -0.984 -1.789 5.778 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -1.643 -2.534 7.966 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -2.638 -1.161 7.426 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.304 -2.811 7.391 1.00 0.00 H new ATOM 831 N CYS A 61 -2.594 -4.542 5.038 1.00 0.00 N ATOM 832 CA CYS A 61 -2.450 -5.924 4.595 1.00 0.00 C ATOM 833 C CYS A 61 -1.613 -5.861 3.326 1.00 0.00 C ATOM 834 O CYS A 61 -0.746 -6.696 3.044 1.00 0.00 O ATOM 835 CB CYS A 61 -3.832 -6.531 4.290 1.00 0.00 C ATOM 836 SG CYS A 61 -3.812 -7.969 3.172 1.00 0.00 S ATOM 0 H CYS A 61 -3.534 -4.165 4.921 1.00 0.00 H new ATOM 0 HA CYS A 61 -1.983 -6.547 5.358 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -4.297 -6.827 5.230 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -4.463 -5.758 3.852 1.00 0.00 H new ATOM 841 N ALA A 62 -1.869 -4.787 2.597 1.00 0.00 N ATOM 842 CA ALA A 62 -1.199 -4.505 1.355 1.00 0.00 C ATOM 843 C ALA A 62 0.157 -3.859 1.614 1.00 0.00 C ATOM 844 O ALA A 62 1.153 -4.218 0.983 1.00 0.00 O ATOM 845 CB ALA A 62 -2.084 -3.617 0.499 1.00 0.00 C ATOM 0 H ALA A 62 -2.558 -4.083 2.861 1.00 0.00 H new ATOM 0 HA ALA A 62 -1.017 -5.436 0.818 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -1.580 -3.401 -0.443 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -3.026 -4.127 0.298 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -2.282 -2.684 1.027 1.00 0.00 H new ATOM 851 N ALA A 63 0.183 -2.903 2.550 1.00 0.00 N ATOM 852 CA ALA A 63 1.420 -2.227 2.925 1.00 0.00 C ATOM 853 C ALA A 63 2.326 -3.238 3.559 1.00 0.00 C ATOM 854 O ALA A 63 3.543 -3.195 3.405 1.00 0.00 O ATOM 855 CB ALA A 63 1.171 -1.090 3.899 1.00 0.00 C ATOM 0 H ALA A 63 -0.641 -2.584 3.059 1.00 0.00 H new ATOM 0 HA ALA A 63 1.871 -1.796 2.031 1.00 0.00 H new ATOM 0 HB1 ALA A 63 2.118 -0.614 4.152 1.00 0.00 H new ATOM 0 HB2 ALA A 63 0.507 -0.357 3.441 1.00 0.00 H new ATOM 0 HB3 ALA A 63 0.708 -1.482 4.805 1.00 0.00 H new ATOM 861 N THR A 64 1.710 -4.167 4.272 1.00 0.00 N ATOM 862 CA THR A 64 2.469 -5.227 4.904 1.00 0.00 C ATOM 863 C THR A 64 2.903 -6.194 3.823 1.00 0.00 C ATOM 864 O THR A 64 3.349 -7.306 4.107 1.00 0.00 O ATOM 865 CB THR A 64 1.709 -5.986 6.030 1.00 0.00 C ATOM 866 OG1 THR A 64 2.648 -6.681 6.858 1.00 0.00 O ATOM 867 CG2 THR A 64 0.695 -6.991 5.482 1.00 0.00 C ATOM 0 H THR A 64 0.702 -4.207 4.425 1.00 0.00 H new ATOM 0 HA THR A 64 3.320 -4.764 5.404 1.00 0.00 H new ATOM 0 HB THR A 64 1.160 -5.239 6.604 1.00 0.00 H new ATOM 0 HG1 THR A 64 3.284 -7.169 6.294 1.00 0.00 H new ATOM 0 HG21 THR A 64 0.194 -7.491 6.311 1.00 0.00 H new ATOM 0 HG22 THR A 64 -0.044 -6.468 4.874 1.00 0.00 H new ATOM 0 HG23 THR A 64 1.211 -7.731 4.870 1.00 0.00 H new ATOM 875 N ALA A 65 2.765 -5.756 2.563 1.00 0.00 N ATOM 876 CA ALA A 65 3.129 -6.597 1.446 1.00 0.00 C ATOM 877 C ALA A 65 3.295 -5.858 0.101 1.00 0.00 C ATOM 878 O ALA A 65 4.332 -5.265 -0.144 1.00 0.00 O ATOM 879 CB ALA A 65 2.112 -7.691 1.330 1.00 0.00 C ATOM 0 H ALA A 65 2.408 -4.835 2.308 1.00 0.00 H new ATOM 0 HA ALA A 65 4.121 -6.995 1.658 1.00 0.00 H new ATOM 0 HB1 ALA A 65 2.368 -8.339 0.491 1.00 0.00 H new ATOM 0 HB2 ALA A 65 2.100 -8.276 2.250 1.00 0.00 H new ATOM 0 HB3 ALA A 65 1.127 -7.256 1.164 1.00 0.00 H new ATOM 885 N THR A 66 2.284 -5.912 -0.783 1.00 0.00 N ATOM 886 CA THR A 66 2.420 -5.305 -2.123 1.00 0.00 C ATOM 887 C THR A 66 2.180 -3.808 -2.155 1.00 0.00 C ATOM 888 O THR A 66 2.971 -3.092 -2.765 1.00 0.00 O ATOM 889 CB THR A 66 1.512 -5.954 -3.186 1.00 0.00 C ATOM 890 OG1 THR A 66 0.238 -5.319 -3.190 1.00 0.00 O ATOM 891 CG2 THR A 66 1.343 -7.439 -2.944 1.00 0.00 C ATOM 0 H THR A 66 1.384 -6.357 -0.603 1.00 0.00 H new ATOM 0 HA THR A 66 3.465 -5.498 -2.367 1.00 0.00 H new ATOM 0 HB THR A 66 1.991 -5.824 -4.157 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.030 -5.008 -4.096 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.697 -7.862 -3.713 1.00 0.00 H new ATOM 0 HG22 THR A 66 2.317 -7.927 -2.980 1.00 0.00 H new ATOM 0 HG23 THR A 66 0.893 -7.599 -1.964 1.00 0.00 H new ATOM 899 N SER A 67 1.105 -3.305 -1.537 1.00 0.00 N ATOM 900 CA SER A 67 0.896 -1.850 -1.560 1.00 0.00 C ATOM 901 C SER A 67 2.227 -1.257 -1.206 1.00 0.00 C ATOM 902 O SER A 67 2.600 -0.158 -1.618 1.00 0.00 O ATOM 903 CB SER A 67 -0.185 -1.376 -0.607 1.00 0.00 C ATOM 904 OG SER A 67 -0.248 0.036 -0.605 1.00 0.00 O ATOM 0 H SER A 67 0.399 -3.848 -1.039 1.00 0.00 H new ATOM 0 HA SER A 67 0.542 -1.536 -2.542 1.00 0.00 H new ATOM 0 HB2 SER A 67 -1.149 -1.790 -0.904 1.00 0.00 H new ATOM 0 HB3 SER A 67 0.022 -1.740 0.399 1.00 0.00 H new ATOM 0 HG SER A 67 -0.302 0.360 0.318 1.00 0.00 H new ATOM 910 N SER A 68 2.912 -2.046 -0.397 1.00 0.00 N ATOM 911 CA SER A 68 4.260 -1.828 -0.021 1.00 0.00 C ATOM 912 C SER A 68 4.500 -0.768 1.015 1.00 0.00 C ATOM 913 O SER A 68 4.387 0.428 0.770 1.00 0.00 O ATOM 914 CB SER A 68 5.112 -1.582 -1.247 1.00 0.00 C ATOM 915 OG SER A 68 6.427 -1.208 -0.880 1.00 0.00 O ATOM 0 H SER A 68 2.510 -2.885 0.022 1.00 0.00 H new ATOM 0 HA SER A 68 4.556 -2.751 0.477 1.00 0.00 H new ATOM 0 HB2 SER A 68 5.143 -2.483 -1.860 1.00 0.00 H new ATOM 0 HB3 SER A 68 4.663 -0.797 -1.856 1.00 0.00 H new ATOM 0 HG SER A 68 6.508 -0.232 -0.905 1.00 0.00 H new ATOM 921 N ALA A 69 4.846 -1.271 2.178 1.00 0.00 N ATOM 922 CA ALA A 69 5.221 -0.464 3.323 1.00 0.00 C ATOM 923 C ALA A 69 5.261 -1.333 4.567 1.00 0.00 C ATOM 924 O ALA A 69 4.744 -0.967 5.624 1.00 0.00 O ATOM 925 CB ALA A 69 4.283 0.716 3.512 1.00 0.00 C ATOM 0 H ALA A 69 4.876 -2.274 2.361 1.00 0.00 H new ATOM 0 HA ALA A 69 6.214 -0.052 3.143 1.00 0.00 H new ATOM 0 HB1 ALA A 69 4.598 1.296 4.380 1.00 0.00 H new ATOM 0 HB2 ALA A 69 4.310 1.348 2.624 1.00 0.00 H new ATOM 0 HB3 ALA A 69 3.267 0.352 3.668 1.00 0.00 H new ATOM 931 N THR A 70 5.886 -2.493 4.421 1.00 0.00 N ATOM 932 CA THR A 70 6.001 -3.451 5.507 1.00 0.00 C ATOM 933 C THR A 70 7.336 -3.311 6.223 1.00 0.00 C ATOM 934 O THR A 70 8.358 -3.819 5.768 1.00 0.00 O ATOM 935 CB THR A 70 5.841 -4.902 5.002 1.00 0.00 C ATOM 936 OG1 THR A 70 6.777 -5.761 5.658 1.00 0.00 O ATOM 937 CG2 THR A 70 6.036 -4.985 3.496 1.00 0.00 C ATOM 0 H THR A 70 6.325 -2.794 3.551 1.00 0.00 H new ATOM 0 HA THR A 70 5.195 -3.233 6.208 1.00 0.00 H new ATOM 0 HB THR A 70 4.827 -5.227 5.236 1.00 0.00 H new ATOM 0 HG1 THR A 70 6.981 -6.525 5.079 1.00 0.00 H new ATOM 0 HG21 THR A 70 5.917 -6.018 3.170 1.00 0.00 H new ATOM 0 HG22 THR A 70 5.295 -4.360 2.998 1.00 0.00 H new ATOM 0 HG23 THR A 70 7.036 -4.636 3.239 1.00 0.00 H new ATOM 945 N GLU A 71 7.310 -2.616 7.349 1.00 0.00 N ATOM 946 CA GLU A 71 8.503 -2.401 8.153 1.00 0.00 C ATOM 947 C GLU A 71 9.024 -3.724 8.707 1.00 0.00 C ATOM 948 O GLU A 71 10.065 -3.775 9.362 1.00 0.00 O ATOM 949 CB GLU A 71 8.179 -1.411 9.277 1.00 0.00 C ATOM 950 CG GLU A 71 9.270 -1.271 10.330 1.00 0.00 C ATOM 951 CD GLU A 71 8.938 -0.229 11.380 1.00 0.00 C ATOM 952 OE1 GLU A 71 9.082 0.976 11.087 1.00 0.00 O ATOM 953 OE2 GLU A 71 8.535 -0.620 12.496 1.00 0.00 O ATOM 0 H GLU A 71 6.467 -2.187 7.730 1.00 0.00 H new ATOM 0 HA GLU A 71 9.292 -1.979 7.531 1.00 0.00 H new ATOM 0 HB2 GLU A 71 7.988 -0.432 8.838 1.00 0.00 H new ATOM 0 HB3 GLU A 71 7.257 -1.726 9.767 1.00 0.00 H new ATOM 0 HG2 GLU A 71 9.426 -2.234 10.816 1.00 0.00 H new ATOM 0 HG3 GLU A 71 10.208 -1.004 9.843 1.00 0.00 H new ATOM 960 N ALA A 72 8.304 -4.801 8.416 1.00 0.00 N ATOM 961 CA ALA A 72 8.692 -6.115 8.894 1.00 0.00 C ATOM 962 C ALA A 72 9.537 -6.881 7.872 1.00 0.00 C ATOM 963 O ALA A 72 10.428 -7.641 8.250 1.00 0.00 O ATOM 964 CB ALA A 72 7.463 -6.923 9.283 1.00 0.00 C ATOM 0 H ALA A 72 7.453 -4.787 7.854 1.00 0.00 H new ATOM 0 HA ALA A 72 9.315 -5.965 9.776 1.00 0.00 H new ATOM 0 HB1 ALA A 72 7.772 -7.906 9.639 1.00 0.00 H new ATOM 0 HB2 ALA A 72 6.922 -6.404 10.074 1.00 0.00 H new ATOM 0 HB3 ALA A 72 6.814 -7.039 8.415 1.00 0.00 H new ATOM 970 N CYS A 73 9.260 -6.684 6.581 1.00 0.00 N ATOM 971 CA CYS A 73 10.017 -7.373 5.533 1.00 0.00 C ATOM 972 C CYS A 73 10.822 -6.395 4.720 1.00 0.00 C ATOM 973 O CYS A 73 11.538 -6.789 3.801 1.00 0.00 O ATOM 974 CB CYS A 73 9.096 -8.089 4.547 1.00 0.00 C ATOM 975 SG CYS A 73 7.670 -8.929 5.294 1.00 0.00 S ATOM 0 H CYS A 73 8.528 -6.062 6.239 1.00 0.00 H new ATOM 0 HA CYS A 73 10.659 -8.087 6.049 1.00 0.00 H new ATOM 0 HB2 CYS A 73 8.731 -7.362 3.822 1.00 0.00 H new ATOM 0 HB3 CYS A 73 9.682 -8.823 3.994 1.00 0.00 H new ATOM 980 N LYS A 74 10.716 -5.125 5.051 1.00 0.00 N ATOM 981 CA LYS A 74 11.383 -4.125 4.262 1.00 0.00 C ATOM 982 C LYS A 74 12.891 -4.171 4.314 1.00 0.00 C ATOM 983 O LYS A 74 13.518 -5.203 4.073 1.00 0.00 O ATOM 984 CB LYS A 74 10.896 -2.717 4.568 1.00 0.00 C ATOM 985 CG LYS A 74 11.156 -1.772 3.404 1.00 0.00 C ATOM 986 CD LYS A 74 12.264 -0.767 3.692 1.00 0.00 C ATOM 987 CE LYS A 74 12.592 0.111 2.500 1.00 0.00 C ATOM 988 NZ LYS A 74 13.431 1.280 2.884 1.00 0.00 N ATOM 0 H LYS A 74 10.184 -4.771 5.846 1.00 0.00 H new ATOM 0 HA LYS A 74 11.103 -4.385 3.241 1.00 0.00 H new ATOM 0 HB2 LYS A 74 9.829 -2.740 4.788 1.00 0.00 H new ATOM 0 HB3 LYS A 74 11.398 -2.343 5.461 1.00 0.00 H new ATOM 0 HG2 LYS A 74 11.421 -2.355 2.522 1.00 0.00 H new ATOM 0 HG3 LYS A 74 10.238 -1.235 3.167 1.00 0.00 H new ATOM 0 HD2 LYS A 74 11.966 -0.136 4.530 1.00 0.00 H new ATOM 0 HD3 LYS A 74 13.162 -1.303 4.000 1.00 0.00 H new ATOM 0 HE2 LYS A 74 13.115 -0.479 1.748 1.00 0.00 H new ATOM 0 HE3 LYS A 74 11.667 0.463 2.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 13.506 1.933 2.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 12.993 1.772 3.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 14.381 0.952 3.153 1.00 0.00 H new ATOM 1002 N GLY A 75 13.454 -3.030 4.632 1.00 0.00 N ATOM 1003 CA GLY A 75 14.869 -2.867 4.590 1.00 0.00 C ATOM 1004 C GLY A 75 15.246 -2.903 3.134 1.00 0.00 C ATOM 1005 O GLY A 75 16.391 -3.178 2.773 1.00 0.00 O ATOM 0 H GLY A 75 12.939 -2.199 4.924 1.00 0.00 H new ATOM 0 HA2 GLY A 75 15.167 -1.924 5.047 1.00 0.00 H new ATOM 0 HA3 GLY A 75 15.370 -3.662 5.143 1.00 0.00 H new ATOM 1009 N CYS A 76 14.238 -2.608 2.282 1.00 0.00 N ATOM 1010 CA CYS A 76 14.413 -2.666 0.853 1.00 0.00 C ATOM 1011 C CYS A 76 13.331 -1.929 0.030 1.00 0.00 C ATOM 1012 O CYS A 76 13.628 -0.950 -0.649 1.00 0.00 O ATOM 1013 CB CYS A 76 14.372 -4.137 0.438 1.00 0.00 C ATOM 1014 SG CYS A 76 15.973 -5.003 0.454 1.00 0.00 S ATOM 0 H CYS A 76 13.303 -2.330 2.581 1.00 0.00 H new ATOM 0 HA CYS A 76 15.360 -2.169 0.643 1.00 0.00 H new ATOM 0 HB2 CYS A 76 13.687 -4.664 1.102 1.00 0.00 H new ATOM 0 HB3 CYS A 76 13.954 -4.201 -0.567 1.00 0.00 H new ATOM 1019 N LEU A 77 12.075 -2.388 0.130 1.00 0.00 N ATOM 1020 CA LEU A 77 10.990 -1.904 -0.754 1.00 0.00 C ATOM 1021 C LEU A 77 9.989 -0.852 -0.227 1.00 0.00 C ATOM 1022 O LEU A 77 9.259 -0.300 -1.048 1.00 0.00 O ATOM 1023 CB LEU A 77 10.191 -3.132 -1.173 1.00 0.00 C ATOM 1024 CG LEU A 77 9.025 -2.887 -2.134 1.00 0.00 C ATOM 1025 CD1 LEU A 77 9.523 -2.285 -3.427 1.00 0.00 C ATOM 1026 CD2 LEU A 77 8.278 -4.178 -2.409 1.00 0.00 C ATOM 0 H LEU A 77 11.780 -3.090 0.809 1.00 0.00 H new ATOM 0 HA LEU A 77 11.514 -1.366 -1.544 1.00 0.00 H new ATOM 0 HB2 LEU A 77 10.874 -3.842 -1.638 1.00 0.00 H new ATOM 0 HB3 LEU A 77 9.799 -3.608 -0.274 1.00 0.00 H new ATOM 0 HG LEU A 77 8.338 -2.184 -1.664 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.681 -2.117 -4.098 1.00 0.00 H new ATOM 0 HD12 LEU A 77 10.016 -1.335 -3.220 1.00 0.00 H new ATOM 0 HD13 LEU A 77 10.231 -2.967 -3.897 1.00 0.00 H new ATOM 0 HD21 LEU A 77 7.453 -3.982 -3.094 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.957 -4.903 -2.857 1.00 0.00 H new ATOM 0 HD23 LEU A 77 7.886 -4.578 -1.474 1.00 0.00 H new ATOM 1038 N TRP A 78 9.932 -0.558 1.074 1.00 0.00 N ATOM 1039 CA TRP A 78 8.926 0.408 1.602 1.00 0.00 C ATOM 1040 C TRP A 78 8.265 1.241 0.506 1.00 0.00 C ATOM 1041 O TRP A 78 7.047 1.069 0.294 1.00 0.00 O ATOM 1042 CB TRP A 78 9.504 1.355 2.667 1.00 0.00 C ATOM 1043 CG TRP A 78 9.392 0.825 4.057 1.00 0.00 C ATOM 1044 CD1 TRP A 78 8.522 -0.119 4.508 1.00 0.00 C ATOM 1045 CD2 TRP A 78 10.192 1.198 5.172 1.00 0.00 C ATOM 1046 NE1 TRP A 78 8.758 -0.384 5.829 1.00 0.00 N ATOM 1047 CE2 TRP A 78 9.778 0.419 6.260 1.00 0.00 C ATOM 1048 CE3 TRP A 78 11.229 2.109 5.349 1.00 0.00 C ATOM 1049 CZ2 TRP A 78 10.369 0.518 7.506 1.00 0.00 C ATOM 1050 CZ3 TRP A 78 11.815 2.215 6.594 1.00 0.00 C ATOM 1051 CH2 TRP A 78 11.386 1.419 7.661 1.00 0.00 C ATOM 1052 OXT TRP A 78 8.964 2.052 -0.133 1.00 0.00 O ATOM 0 H TRP A 78 10.550 -0.958 1.780 1.00 0.00 H new ATOM 0 HA TRP A 78 8.168 -0.222 2.067 1.00 0.00 H new ATOM 0 HB2 TRP A 78 10.554 1.545 2.442 1.00 0.00 H new ATOM 0 HB3 TRP A 78 8.987 2.313 2.609 1.00 0.00 H new ATOM 0 HD1 TRP A 78 7.756 -0.591 3.910 1.00 0.00 H new ATOM 0 HE1 TRP A 78 8.257 -1.067 6.398 1.00 0.00 H new ATOM 0 HE3 TRP A 78 11.569 2.722 4.527 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 10.038 -0.096 8.330 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 12.616 2.923 6.747 1.00 0.00 H new ATOM 0 HH2 TRP A 78 11.866 1.518 8.623 1.00 0.00 H new ATOM 1109 N SER B 4 6.794 10.260 1.780 1.00 0.00 N ATOM 1110 CA SER B 4 7.449 8.984 2.039 1.00 0.00 C ATOM 1111 C SER B 4 6.496 7.842 1.749 1.00 0.00 C ATOM 1112 O SER B 4 5.369 8.072 1.330 1.00 0.00 O ATOM 1113 CB SER B 4 7.900 8.901 3.493 1.00 0.00 C ATOM 1114 OG SER B 4 8.625 10.057 3.875 1.00 0.00 O ATOM 0 HA SER B 4 8.320 8.909 1.388 1.00 0.00 H new ATOM 0 HB2 SER B 4 7.030 8.785 4.140 1.00 0.00 H new ATOM 0 HB3 SER B 4 8.522 8.017 3.633 1.00 0.00 H new ATOM 0 HG SER B 4 8.283 10.834 3.386 1.00 0.00 H new ATOM 1120 N VAL B 5 6.946 6.615 1.967 1.00 0.00 N ATOM 1121 CA VAL B 5 6.092 5.464 1.736 1.00 0.00 C ATOM 1122 C VAL B 5 5.100 5.307 2.889 1.00 0.00 C ATOM 1123 O VAL B 5 3.895 5.209 2.670 1.00 0.00 O ATOM 1124 CB VAL B 5 6.904 4.156 1.538 1.00 0.00 C ATOM 1125 CG1 VAL B 5 8.373 4.459 1.268 1.00 0.00 C ATOM 1126 CG2 VAL B 5 6.740 3.207 2.724 1.00 0.00 C ATOM 0 H VAL B 5 7.885 6.394 2.299 1.00 0.00 H new ATOM 0 HA VAL B 5 5.546 5.644 0.810 1.00 0.00 H new ATOM 0 HB VAL B 5 6.502 3.649 0.661 1.00 0.00 H new ATOM 0 HG11 VAL B 5 8.918 3.525 1.133 1.00 0.00 H new ATOM 0 HG12 VAL B 5 8.460 5.063 0.365 1.00 0.00 H new ATOM 0 HG13 VAL B 5 8.793 5.006 2.112 1.00 0.00 H new ATOM 0 HG21 VAL B 5 7.323 2.303 2.550 1.00 0.00 H new ATOM 0 HG22 VAL B 5 7.092 3.696 3.632 1.00 0.00 H new ATOM 0 HG23 VAL B 5 5.688 2.945 2.837 1.00 0.00 H new ATOM 1136 N GLY B 6 5.618 5.304 4.119 1.00 0.00 N ATOM 1137 CA GLY B 6 4.764 5.160 5.283 1.00 0.00 C ATOM 1138 C GLY B 6 3.874 6.369 5.479 1.00 0.00 C ATOM 1139 O GLY B 6 2.688 6.236 5.782 1.00 0.00 O ATOM 0 H GLY B 6 6.612 5.399 4.326 1.00 0.00 H new ATOM 0 HA2 GLY B 6 4.147 4.268 5.173 1.00 0.00 H new ATOM 0 HA3 GLY B 6 5.380 5.014 6.170 1.00 0.00 H new ATOM 1143 N ASP B 7 4.450 7.556 5.306 1.00 0.00 N ATOM 1144 CA ASP B 7 3.695 8.794 5.445 1.00 0.00 C ATOM 1145 C ASP B 7 2.628 8.861 4.368 1.00 0.00 C ATOM 1146 O ASP B 7 1.519 9.343 4.603 1.00 0.00 O ATOM 1147 CB ASP B 7 4.621 10.005 5.332 1.00 0.00 C ATOM 1148 CG ASP B 7 5.618 10.082 6.473 1.00 0.00 C ATOM 1149 OD1 ASP B 7 6.676 9.427 6.382 1.00 0.00 O ATOM 1150 OD2 ASP B 7 5.338 10.799 7.458 1.00 0.00 O ATOM 0 H ASP B 7 5.434 7.685 5.070 1.00 0.00 H new ATOM 0 HA ASP B 7 3.224 8.809 6.428 1.00 0.00 H new ATOM 0 HB2 ASP B 7 5.160 9.959 4.385 1.00 0.00 H new ATOM 0 HB3 ASP B 7 4.022 10.916 5.315 1.00 0.00 H new ATOM 1155 N ALA B 8 2.979 8.377 3.182 1.00 0.00 N ATOM 1156 CA ALA B 8 2.054 8.354 2.067 1.00 0.00 C ATOM 1157 C ALA B 8 0.762 7.696 2.492 1.00 0.00 C ATOM 1158 O ALA B 8 -0.323 8.234 2.286 1.00 0.00 O ATOM 1159 CB ALA B 8 2.638 7.582 0.907 1.00 0.00 C ATOM 0 H ALA B 8 3.901 7.995 2.973 1.00 0.00 H new ATOM 0 HA ALA B 8 1.867 9.381 1.755 1.00 0.00 H new ATOM 0 HB1 ALA B 8 1.928 7.576 0.080 1.00 0.00 H new ATOM 0 HB2 ALA B 8 3.566 8.055 0.586 1.00 0.00 H new ATOM 0 HB3 ALA B 8 2.842 6.557 1.218 1.00 0.00 H new ATOM 1165 N PHE B 9 0.904 6.515 3.084 1.00 0.00 N ATOM 1166 CA PHE B 9 -0.229 5.755 3.553 1.00 0.00 C ATOM 1167 C PHE B 9 -1.144 6.625 4.401 1.00 0.00 C ATOM 1168 O PHE B 9 -2.304 6.782 4.070 1.00 0.00 O ATOM 1169 CB PHE B 9 0.244 4.529 4.323 1.00 0.00 C ATOM 1170 CG PHE B 9 0.436 3.347 3.430 1.00 0.00 C ATOM 1171 CD1 PHE B 9 -0.611 2.485 3.157 1.00 0.00 C ATOM 1172 CD2 PHE B 9 1.661 3.115 2.841 1.00 0.00 C ATOM 1173 CE1 PHE B 9 -0.432 1.414 2.308 1.00 0.00 C ATOM 1174 CE2 PHE B 9 1.844 2.045 1.998 1.00 0.00 C ATOM 1175 CZ PHE B 9 0.800 1.195 1.728 1.00 0.00 C ATOM 0 H PHE B 9 1.806 6.067 3.248 1.00 0.00 H new ATOM 0 HA PHE B 9 -0.805 5.413 2.693 1.00 0.00 H new ATOM 0 HB2 PHE B 9 1.182 4.758 4.828 1.00 0.00 H new ATOM 0 HB3 PHE B 9 -0.483 4.284 5.097 1.00 0.00 H new ATOM 0 HD1 PHE B 9 -1.576 2.652 3.612 1.00 0.00 H new ATOM 0 HD2 PHE B 9 2.486 3.782 3.044 1.00 0.00 H new ATOM 0 HE1 PHE B 9 -1.255 0.747 2.097 1.00 0.00 H new ATOM 0 HE2 PHE B 9 2.810 1.873 1.547 1.00 0.00 H new ATOM 0 HZ PHE B 9 0.943 0.356 1.063 1.00 0.00 H new ATOM 1185 N ASP B 10 -0.605 7.271 5.434 1.00 0.00 N ATOM 1186 CA ASP B 10 -1.432 8.103 6.313 1.00 0.00 C ATOM 1187 C ASP B 10 -2.388 8.949 5.480 1.00 0.00 C ATOM 1188 O ASP B 10 -3.595 9.009 5.745 1.00 0.00 O ATOM 1189 CB ASP B 10 -0.550 9.007 7.178 1.00 0.00 C ATOM 1190 CG ASP B 10 -1.358 9.861 8.134 1.00 0.00 C ATOM 1191 OD1 ASP B 10 -1.764 9.344 9.195 1.00 0.00 O ATOM 1192 OD2 ASP B 10 -1.584 11.050 7.822 1.00 0.00 O ATOM 0 H ASP B 10 0.384 7.237 5.682 1.00 0.00 H new ATOM 0 HA ASP B 10 -2.010 7.451 6.968 1.00 0.00 H new ATOM 0 HB2 ASP B 10 0.148 8.392 7.746 1.00 0.00 H new ATOM 0 HB3 ASP B 10 0.046 9.653 6.533 1.00 0.00 H new ATOM 1197 N LYS B 11 -1.837 9.563 4.448 1.00 0.00 N ATOM 1198 CA LYS B 11 -2.613 10.387 3.533 1.00 0.00 C ATOM 1199 C LYS B 11 -3.606 9.512 2.770 1.00 0.00 C ATOM 1200 O LYS B 11 -4.782 9.848 2.643 1.00 0.00 O ATOM 1201 CB LYS B 11 -1.672 11.110 2.565 1.00 0.00 C ATOM 1202 CG LYS B 11 -2.207 12.442 2.059 1.00 0.00 C ATOM 1203 CD LYS B 11 -3.459 12.263 1.220 1.00 0.00 C ATOM 1204 CE LYS B 11 -4.089 13.600 0.860 1.00 0.00 C ATOM 1205 NZ LYS B 11 -3.146 14.483 0.121 1.00 0.00 N ATOM 0 H LYS B 11 -0.844 9.506 4.220 1.00 0.00 H new ATOM 0 HA LYS B 11 -3.171 11.135 4.097 1.00 0.00 H new ATOM 0 HB2 LYS B 11 -0.717 11.279 3.062 1.00 0.00 H new ATOM 0 HB3 LYS B 11 -1.477 10.461 1.711 1.00 0.00 H new ATOM 0 HG2 LYS B 11 -2.427 13.091 2.907 1.00 0.00 H new ATOM 0 HG3 LYS B 11 -1.440 12.940 1.466 1.00 0.00 H new ATOM 0 HD2 LYS B 11 -3.212 11.720 0.308 1.00 0.00 H new ATOM 0 HD3 LYS B 11 -4.180 11.656 1.767 1.00 0.00 H new ATOM 0 HE2 LYS B 11 -4.977 13.429 0.252 1.00 0.00 H new ATOM 0 HE3 LYS B 11 -4.417 14.102 1.770 1.00 0.00 H new ATOM 0 HZ1 LYS B 11 -3.650 15.332 -0.207 1.00 0.00 H new ATOM 0 HZ2 LYS B 11 -2.368 14.764 0.751 1.00 0.00 H new ATOM 0 HZ3 LYS B 11 -2.761 13.971 -0.698 1.00 0.00 H new ATOM 1219 N TYR B 12 -3.115 8.381 2.271 1.00 0.00 N ATOM 1220 CA TYR B 12 -3.940 7.437 1.530 1.00 0.00 C ATOM 1221 C TYR B 12 -5.106 6.951 2.347 1.00 0.00 C ATOM 1222 O TYR B 12 -6.251 7.113 1.967 1.00 0.00 O ATOM 1223 CB TYR B 12 -3.151 6.191 1.148 1.00 0.00 C ATOM 1224 CG TYR B 12 -3.886 5.333 0.137 1.00 0.00 C ATOM 1225 CD1 TYR B 12 -4.729 5.911 -0.812 1.00 0.00 C ATOM 1226 CD2 TYR B 12 -3.754 3.949 0.132 1.00 0.00 C ATOM 1227 CE1 TYR B 12 -5.413 5.140 -1.727 1.00 0.00 C ATOM 1228 CE2 TYR B 12 -4.439 3.175 -0.781 1.00 0.00 C ATOM 1229 CZ TYR B 12 -5.267 3.772 -1.707 1.00 0.00 C ATOM 1230 OH TYR B 12 -5.949 2.996 -2.617 1.00 0.00 O ATOM 0 H TYR B 12 -2.141 8.096 2.369 1.00 0.00 H new ATOM 0 HA TYR B 12 -4.281 7.979 0.648 1.00 0.00 H new ATOM 0 HB2 TYR B 12 -2.186 6.487 0.737 1.00 0.00 H new ATOM 0 HB3 TYR B 12 -2.950 5.602 2.043 1.00 0.00 H new ATOM 0 HD1 TYR B 12 -4.848 6.984 -0.830 1.00 0.00 H new ATOM 0 HD2 TYR B 12 -3.106 3.473 0.853 1.00 0.00 H new ATOM 0 HE1 TYR B 12 -6.060 5.607 -2.455 1.00 0.00 H new ATOM 0 HE2 TYR B 12 -4.327 2.101 -0.770 1.00 0.00 H new ATOM 0 HH TYR B 12 -6.910 3.170 -2.540 1.00 0.00 H new ATOM 1240 N ASN B 13 -4.775 6.363 3.477 1.00 0.00 N ATOM 1241 CA ASN B 13 -5.751 5.770 4.370 1.00 0.00 C ATOM 1242 C ASN B 13 -7.007 6.606 4.468 1.00 0.00 C ATOM 1243 O ASN B 13 -8.104 6.116 4.208 1.00 0.00 O ATOM 1244 CB ASN B 13 -5.164 5.611 5.764 1.00 0.00 C ATOM 1245 CG ASN B 13 -3.673 5.295 5.783 1.00 0.00 C ATOM 1246 OD1 ASN B 13 -3.151 4.700 4.710 1.00 0.00 O flip ATOM 1247 ND2 ASN B 13 -2.992 5.584 6.765 1.00 0.00 N flip ATOM 0 H ASN B 13 -3.813 6.282 3.806 1.00 0.00 H new ATOM 0 HA ASN B 13 -6.011 4.796 3.955 1.00 0.00 H new ATOM 0 HB2 ASN B 13 -5.336 6.529 6.325 1.00 0.00 H new ATOM 0 HB3 ASN B 13 -5.699 4.815 6.283 1.00 0.00 H new ATOM 0 HD21 ASN B 13 -3.424 6.039 7.569 1.00 0.00 H new ATOM 0 HD22 ASN B 13 -1.995 5.369 6.775 1.00 0.00 H new ATOM 1254 N GLU B 14 -6.857 7.858 4.847 1.00 0.00 N ATOM 1255 CA GLU B 14 -8.009 8.733 4.954 1.00 0.00 C ATOM 1256 C GLU B 14 -8.763 8.755 3.617 1.00 0.00 C ATOM 1257 O GLU B 14 -9.992 8.690 3.567 1.00 0.00 O ATOM 1258 CB GLU B 14 -7.551 10.143 5.351 1.00 0.00 C ATOM 1259 CG GLU B 14 -7.107 10.997 4.178 1.00 0.00 C ATOM 1260 CD GLU B 14 -8.217 11.877 3.635 1.00 0.00 C ATOM 1261 OE1 GLU B 14 -9.401 11.539 3.842 1.00 0.00 O ATOM 1262 OE2 GLU B 14 -7.901 12.908 3.004 1.00 0.00 O ATOM 0 H GLU B 14 -5.963 8.289 5.083 1.00 0.00 H new ATOM 0 HA GLU B 14 -8.685 8.362 5.725 1.00 0.00 H new ATOM 0 HB2 GLU B 14 -8.367 10.648 5.867 1.00 0.00 H new ATOM 0 HB3 GLU B 14 -6.728 10.061 6.061 1.00 0.00 H new ATOM 0 HG2 GLU B 14 -6.271 11.625 4.488 1.00 0.00 H new ATOM 0 HG3 GLU B 14 -6.741 10.349 3.381 1.00 0.00 H new ATOM 1269 N ALA B 15 -7.987 8.768 2.539 1.00 0.00 N ATOM 1270 CA ALA B 15 -8.504 8.832 1.178 1.00 0.00 C ATOM 1271 C ALA B 15 -9.117 7.526 0.687 1.00 0.00 C ATOM 1272 O ALA B 15 -10.112 7.540 -0.038 1.00 0.00 O ATOM 1273 CB ALA B 15 -7.370 9.219 0.241 1.00 0.00 C ATOM 0 H ALA B 15 -6.969 8.734 2.587 1.00 0.00 H new ATOM 0 HA ALA B 15 -9.304 9.573 1.183 1.00 0.00 H new ATOM 0 HB1 ALA B 15 -7.744 9.270 -0.781 1.00 0.00 H new ATOM 0 HB2 ALA B 15 -6.974 10.192 0.532 1.00 0.00 H new ATOM 0 HB3 ALA B 15 -6.578 8.472 0.300 1.00 0.00 H new ATOM 1279 N VAL B 16 -8.536 6.399 1.068 1.00 0.00 N ATOM 1280 CA VAL B 16 -9.014 5.129 0.576 1.00 0.00 C ATOM 1281 C VAL B 16 -10.104 4.568 1.421 1.00 0.00 C ATOM 1282 O VAL B 16 -11.116 4.086 0.912 1.00 0.00 O ATOM 1283 CB VAL B 16 -7.877 4.115 0.407 1.00 0.00 C ATOM 1284 CG1 VAL B 16 -6.882 4.227 1.541 1.00 0.00 C ATOM 1285 CG2 VAL B 16 -8.416 2.697 0.281 1.00 0.00 C ATOM 0 H VAL B 16 -7.744 6.343 1.708 1.00 0.00 H new ATOM 0 HA VAL B 16 -9.435 5.325 -0.410 1.00 0.00 H new ATOM 0 HB VAL B 16 -7.354 4.349 -0.520 1.00 0.00 H new ATOM 0 HG11 VAL B 16 -6.085 3.497 1.399 1.00 0.00 H new ATOM 0 HG12 VAL B 16 -6.457 5.231 1.555 1.00 0.00 H new ATOM 0 HG13 VAL B 16 -7.386 4.034 2.488 1.00 0.00 H new ATOM 0 HG21 VAL B 16 -7.585 2.001 0.162 1.00 0.00 H new ATOM 0 HG22 VAL B 16 -8.979 2.441 1.179 1.00 0.00 H new ATOM 0 HG23 VAL B 16 -9.070 2.632 -0.588 1.00 0.00 H new ATOM 1295 N ARG B 17 -9.900 4.623 2.704 1.00 0.00 N ATOM 1296 CA ARG B 17 -10.875 4.107 3.606 1.00 0.00 C ATOM 1297 C ARG B 17 -12.217 4.728 3.358 1.00 0.00 C ATOM 1298 O ARG B 17 -13.254 4.057 3.411 1.00 0.00 O ATOM 1299 CB ARG B 17 -10.395 4.257 5.042 1.00 0.00 C ATOM 1300 CG ARG B 17 -9.130 3.466 5.327 1.00 0.00 C ATOM 1301 CD ARG B 17 -8.978 2.265 4.405 1.00 0.00 C ATOM 1302 NE ARG B 17 -7.684 2.205 3.809 1.00 0.00 N ATOM 1303 CZ ARG B 17 -7.409 1.398 2.829 1.00 0.00 C ATOM 1304 NH1 ARG B 17 -8.206 0.387 2.544 1.00 0.00 N ATOM 1305 NH2 ARG B 17 -6.314 1.568 2.162 1.00 0.00 N ATOM 0 H ARG B 17 -9.069 5.019 3.144 1.00 0.00 H new ATOM 0 HA ARG B 17 -11.003 3.039 3.429 1.00 0.00 H new ATOM 0 HB2 ARG B 17 -10.213 5.311 5.251 1.00 0.00 H new ATOM 0 HB3 ARG B 17 -11.183 3.929 5.720 1.00 0.00 H new ATOM 0 HG2 ARG B 17 -8.264 4.118 5.216 1.00 0.00 H new ATOM 0 HG3 ARG B 17 -9.142 3.127 6.363 1.00 0.00 H new ATOM 0 HD2 ARG B 17 -9.159 1.350 4.969 1.00 0.00 H new ATOM 0 HD3 ARG B 17 -9.735 2.312 3.622 1.00 0.00 H new ATOM 0 HE ARG B 17 -6.949 2.817 4.164 1.00 0.00 H new ATOM 0 HH11 ARG B 17 -9.050 0.231 3.096 1.00 0.00 H new ATOM 0 HH12 ARG B 17 -7.979 -0.240 1.772 1.00 0.00 H new ATOM 0 HH21 ARG B 17 -5.680 2.328 2.408 1.00 0.00 H new ATOM 0 HH22 ARG B 17 -6.085 0.942 1.390 1.00 0.00 H new ATOM 1319 N VAL B 18 -12.209 5.984 3.019 1.00 0.00 N ATOM 1320 CA VAL B 18 -13.444 6.638 2.745 1.00 0.00 C ATOM 1321 C VAL B 18 -13.980 6.198 1.393 1.00 0.00 C ATOM 1322 O VAL B 18 -15.127 5.815 1.283 1.00 0.00 O ATOM 1323 CB VAL B 18 -13.285 8.165 2.771 1.00 0.00 C ATOM 1324 CG1 VAL B 18 -12.782 8.608 4.137 1.00 0.00 C ATOM 1325 CG2 VAL B 18 -12.339 8.622 1.668 1.00 0.00 C ATOM 0 H VAL B 18 -11.374 6.563 2.928 1.00 0.00 H new ATOM 0 HA VAL B 18 -14.152 6.357 3.525 1.00 0.00 H new ATOM 0 HB VAL B 18 -14.256 8.627 2.592 1.00 0.00 H new ATOM 0 HG11 VAL B 18 -12.671 9.692 4.150 1.00 0.00 H new ATOM 0 HG12 VAL B 18 -13.497 8.307 4.903 1.00 0.00 H new ATOM 0 HG13 VAL B 18 -11.817 8.142 4.338 1.00 0.00 H new ATOM 0 HG21 VAL B 18 -12.238 9.707 1.701 1.00 0.00 H new ATOM 0 HG22 VAL B 18 -11.362 8.162 1.813 1.00 0.00 H new ATOM 0 HG23 VAL B 18 -12.739 8.325 0.699 1.00 0.00 H new ATOM 1335 N PHE B 19 -13.101 6.118 0.403 1.00 0.00 N ATOM 1336 CA PHE B 19 -13.519 5.815 -0.959 1.00 0.00 C ATOM 1337 C PHE B 19 -14.108 4.410 -1.146 1.00 0.00 C ATOM 1338 O PHE B 19 -15.143 4.246 -1.820 1.00 0.00 O ATOM 1339 CB PHE B 19 -12.360 6.152 -1.944 1.00 0.00 C ATOM 1340 CG PHE B 19 -11.343 5.081 -2.300 1.00 0.00 C ATOM 1341 CD1 PHE B 19 -11.697 3.778 -2.581 1.00 0.00 C ATOM 1342 CD2 PHE B 19 -10.005 5.419 -2.379 1.00 0.00 C ATOM 1343 CE1 PHE B 19 -10.744 2.833 -2.911 1.00 0.00 C ATOM 1344 CE2 PHE B 19 -9.045 4.481 -2.708 1.00 0.00 C ATOM 1345 CZ PHE B 19 -9.417 3.184 -2.969 1.00 0.00 C ATOM 0 H PHE B 19 -12.097 6.258 0.517 1.00 0.00 H new ATOM 0 HA PHE B 19 -14.367 6.458 -1.196 1.00 0.00 H new ATOM 0 HB2 PHE B 19 -12.812 6.495 -2.875 1.00 0.00 H new ATOM 0 HB3 PHE B 19 -11.812 6.996 -1.526 1.00 0.00 H new ATOM 0 HD1 PHE B 19 -12.737 3.491 -2.542 1.00 0.00 H new ATOM 0 HD2 PHE B 19 -9.704 6.437 -2.180 1.00 0.00 H new ATOM 0 HE1 PHE B 19 -11.043 1.817 -3.124 1.00 0.00 H new ATOM 0 HE2 PHE B 19 -8.005 4.767 -2.760 1.00 0.00 H new ATOM 0 HZ PHE B 19 -8.670 2.445 -3.218 1.00 0.00 H new ATOM 1355 N THR B 20 -13.534 3.393 -0.518 1.00 0.00 N ATOM 1356 CA THR B 20 -14.042 2.057 -0.755 1.00 0.00 C ATOM 1357 C THR B 20 -15.284 1.750 0.056 1.00 0.00 C ATOM 1358 O THR B 20 -16.287 1.319 -0.516 1.00 0.00 O ATOM 1359 CB THR B 20 -12.988 0.972 -0.550 1.00 0.00 C ATOM 1360 OG1 THR B 20 -12.169 0.885 -1.705 1.00 0.00 O ATOM 1361 CG2 THR B 20 -13.640 -0.367 -0.278 1.00 0.00 C ATOM 0 H THR B 20 -12.750 3.463 0.131 1.00 0.00 H new ATOM 0 HA THR B 20 -14.322 2.046 -1.808 1.00 0.00 H new ATOM 0 HB THR B 20 -12.377 1.236 0.313 1.00 0.00 H new ATOM 0 HG1 THR B 20 -11.783 1.764 -1.899 1.00 0.00 H new ATOM 0 HG21 THR B 20 -12.869 -1.125 -0.135 1.00 0.00 H new ATOM 0 HG22 THR B 20 -14.252 -0.298 0.621 1.00 0.00 H new ATOM 0 HG23 THR B 20 -14.269 -0.644 -1.124 1.00 0.00 H new ATOM 1369 N GLN B 21 -15.257 1.952 1.373 1.00 0.00 N ATOM 1370 CA GLN B 21 -16.458 1.666 2.127 1.00 0.00 C ATOM 1371 C GLN B 21 -17.542 2.626 1.679 1.00 0.00 C ATOM 1372 O GLN B 21 -18.709 2.437 1.981 1.00 0.00 O ATOM 1373 CB GLN B 21 -16.237 1.706 3.642 1.00 0.00 C ATOM 1374 CG GLN B 21 -15.746 0.372 4.234 1.00 0.00 C ATOM 1375 CD GLN B 21 -16.304 -0.842 3.535 1.00 0.00 C ATOM 1376 OE1 GLN B 21 -15.605 -1.290 2.497 1.00 0.00 O flip ATOM 1377 NE2 GLN B 21 -17.347 -1.373 3.919 1.00 0.00 N flip ATOM 0 H GLN B 21 -14.459 2.294 1.909 1.00 0.00 H new ATOM 0 HA GLN B 21 -16.768 0.642 1.921 1.00 0.00 H new ATOM 0 HB2 GLN B 21 -15.510 2.485 3.873 1.00 0.00 H new ATOM 0 HB3 GLN B 21 -17.171 1.987 4.129 1.00 0.00 H new ATOM 0 HG2 GLN B 21 -14.658 0.341 4.184 1.00 0.00 H new ATOM 0 HG3 GLN B 21 -16.018 0.330 5.289 1.00 0.00 H new ATOM 0 HE21 GLN B 21 -17.848 -0.992 4.721 1.00 0.00 H new ATOM 0 HE22 GLN B 21 -17.710 -2.194 3.435 1.00 0.00 H new ATOM 1386 N LEU B 22 -17.150 3.665 0.938 1.00 0.00 N ATOM 1387 CA LEU B 22 -18.133 4.588 0.399 1.00 0.00 C ATOM 1388 C LEU B 22 -19.076 3.784 -0.463 1.00 0.00 C ATOM 1389 O LEU B 22 -20.295 3.928 -0.381 1.00 0.00 O ATOM 1390 CB LEU B 22 -17.493 5.694 -0.460 1.00 0.00 C ATOM 1391 CG LEU B 22 -17.184 7.035 0.234 1.00 0.00 C ATOM 1392 CD1 LEU B 22 -17.890 8.167 -0.482 1.00 0.00 C ATOM 1393 CD2 LEU B 22 -17.555 7.027 1.717 1.00 0.00 C ATOM 0 H LEU B 22 -16.180 3.880 0.705 1.00 0.00 H new ATOM 0 HA LEU B 22 -18.644 5.079 1.227 1.00 0.00 H new ATOM 0 HB2 LEU B 22 -16.562 5.305 -0.873 1.00 0.00 H new ATOM 0 HB3 LEU B 22 -18.156 5.894 -1.302 1.00 0.00 H new ATOM 0 HG LEU B 22 -16.106 7.186 0.178 1.00 0.00 H new ATOM 0 HD11 LEU B 22 -17.665 9.110 0.017 1.00 0.00 H new ATOM 0 HD12 LEU B 22 -17.548 8.213 -1.516 1.00 0.00 H new ATOM 0 HD13 LEU B 22 -18.966 7.995 -0.463 1.00 0.00 H new ATOM 0 HD21 LEU B 22 -17.317 7.995 2.157 1.00 0.00 H new ATOM 0 HD22 LEU B 22 -18.622 6.833 1.824 1.00 0.00 H new ATOM 0 HD23 LEU B 22 -16.991 6.247 2.229 1.00 0.00 H new ATOM 1405 N SER B 23 -18.493 2.914 -1.288 1.00 0.00 N ATOM 1406 CA SER B 23 -19.294 2.065 -2.165 1.00 0.00 C ATOM 1407 C SER B 23 -20.061 0.981 -1.389 1.00 0.00 C ATOM 1408 O SER B 23 -21.265 0.811 -1.590 1.00 0.00 O ATOM 1409 CB SER B 23 -18.423 1.427 -3.253 1.00 0.00 C ATOM 1410 OG SER B 23 -18.151 2.355 -4.289 1.00 0.00 O ATOM 0 H SER B 23 -17.485 2.781 -1.366 1.00 0.00 H new ATOM 0 HA SER B 23 -20.034 2.711 -2.638 1.00 0.00 H new ATOM 0 HB2 SER B 23 -17.487 1.077 -2.817 1.00 0.00 H new ATOM 0 HB3 SER B 23 -18.929 0.554 -3.665 1.00 0.00 H new ATOM 0 HG SER B 23 -17.190 2.546 -4.313 1.00 0.00 H new ATOM 1416 N SER B 24 -19.381 0.246 -0.505 1.00 0.00 N ATOM 1417 CA SER B 24 -20.043 -0.818 0.253 1.00 0.00 C ATOM 1418 C SER B 24 -20.996 -0.270 1.298 1.00 0.00 C ATOM 1419 O SER B 24 -22.165 -0.653 1.331 1.00 0.00 O ATOM 1420 CB SER B 24 -19.025 -1.729 0.916 1.00 0.00 C ATOM 1421 OG SER B 24 -17.978 -0.974 1.481 1.00 0.00 O ATOM 0 H SER B 24 -18.389 0.365 -0.299 1.00 0.00 H new ATOM 0 HA SER B 24 -20.627 -1.394 -0.465 1.00 0.00 H new ATOM 0 HB2 SER B 24 -19.511 -2.324 1.690 1.00 0.00 H new ATOM 0 HB3 SER B 24 -18.622 -2.428 0.183 1.00 0.00 H new ATOM 0 HG SER B 24 -17.185 -1.541 1.585 1.00 0.00 H new ATOM 1427 N ALA B 25 -20.494 0.603 2.167 1.00 0.00 N ATOM 1428 CA ALA B 25 -21.332 1.200 3.192 1.00 0.00 C ATOM 1429 C ALA B 25 -22.599 1.711 2.532 1.00 0.00 C ATOM 1430 O ALA B 25 -23.680 1.685 3.115 1.00 0.00 O ATOM 1431 CB ALA B 25 -20.598 2.332 3.910 1.00 0.00 C ATOM 0 H ALA B 25 -19.521 0.908 2.179 1.00 0.00 H new ATOM 0 HA ALA B 25 -21.581 0.452 3.945 1.00 0.00 H new ATOM 0 HB1 ALA B 25 -21.248 2.761 4.672 1.00 0.00 H new ATOM 0 HB2 ALA B 25 -19.697 1.940 4.381 1.00 0.00 H new ATOM 0 HB3 ALA B 25 -20.325 3.103 3.190 1.00 0.00 H new ATOM 1437 N ALA B 26 -22.445 2.135 1.281 1.00 0.00 N ATOM 1438 CA ALA B 26 -23.558 2.644 0.497 1.00 0.00 C ATOM 1439 C ALA B 26 -24.627 1.575 0.285 1.00 0.00 C ATOM 1440 O ALA B 26 -25.819 1.863 0.403 1.00 0.00 O ATOM 1441 CB ALA B 26 -23.066 3.174 -0.843 1.00 0.00 C ATOM 0 H ALA B 26 -21.552 2.134 0.788 1.00 0.00 H new ATOM 0 HA ALA B 26 -24.011 3.463 1.056 1.00 0.00 H new ATOM 0 HB1 ALA B 26 -23.912 3.551 -1.418 1.00 0.00 H new ATOM 0 HB2 ALA B 26 -22.352 3.981 -0.675 1.00 0.00 H new ATOM 0 HB3 ALA B 26 -22.581 2.370 -1.396 1.00 0.00 H new ATOM 1447 N ASN B 27 -24.216 0.341 -0.027 1.00 0.00 N ATOM 1448 CA ASN B 27 -25.199 -0.719 -0.251 1.00 0.00 C ATOM 1449 C ASN B 27 -24.649 -2.148 -0.111 1.00 0.00 C ATOM 1450 O ASN B 27 -25.358 -3.022 0.389 1.00 0.00 O ATOM 1451 CB ASN B 27 -25.842 -0.551 -1.631 1.00 0.00 C ATOM 1452 CG ASN B 27 -24.864 -0.084 -2.698 1.00 0.00 C ATOM 1453 OD1 ASN B 27 -23.574 -0.322 -2.482 1.00 0.00 O flip ATOM 1454 ND2 ASN B 27 -25.266 0.499 -3.704 1.00 0.00 N flip ATOM 0 H ASN B 27 -23.241 0.059 -0.127 1.00 0.00 H new ATOM 0 HA ASN B 27 -25.937 -0.604 0.543 1.00 0.00 H new ATOM 0 HB2 ASN B 27 -26.278 -1.501 -1.939 1.00 0.00 H new ATOM 0 HB3 ASN B 27 -26.659 0.166 -1.558 1.00 0.00 H new ATOM 0 HD21 ASN B 27 -26.264 0.663 -3.834 1.00 0.00 H new ATOM 0 HD22 ASN B 27 -24.601 0.818 -4.408 1.00 0.00 H new ATOM 1461 N CYS B 28 -23.405 -2.402 -0.531 1.00 0.00 N ATOM 1462 CA CYS B 28 -22.860 -3.764 -0.465 1.00 0.00 C ATOM 1463 C CYS B 28 -21.392 -3.829 -0.874 1.00 0.00 C ATOM 1464 O CYS B 28 -20.891 -2.937 -1.526 1.00 0.00 O ATOM 1465 CB CYS B 28 -23.676 -4.667 -1.397 1.00 0.00 C ATOM 1466 SG CYS B 28 -22.724 -5.972 -2.233 1.00 0.00 S ATOM 0 H CYS B 28 -22.769 -1.702 -0.912 1.00 0.00 H new ATOM 0 HA CYS B 28 -22.926 -4.097 0.571 1.00 0.00 H new ATOM 0 HB2 CYS B 28 -24.473 -5.134 -0.819 1.00 0.00 H new ATOM 0 HB3 CYS B 28 -24.153 -4.045 -2.154 1.00 0.00 H new ATOM 1471 N ASP B 29 -20.716 -4.902 -0.479 1.00 0.00 N ATOM 1472 CA ASP B 29 -19.313 -5.118 -0.840 1.00 0.00 C ATOM 1473 C ASP B 29 -19.188 -6.328 -1.768 1.00 0.00 C ATOM 1474 O ASP B 29 -19.989 -7.258 -1.674 1.00 0.00 O ATOM 1475 CB ASP B 29 -18.466 -5.342 0.416 1.00 0.00 C ATOM 1476 CG ASP B 29 -19.286 -5.850 1.585 1.00 0.00 C ATOM 1477 OD1 ASP B 29 -19.833 -5.012 2.335 1.00 0.00 O ATOM 1478 OD2 ASP B 29 -19.383 -7.083 1.753 1.00 0.00 O ATOM 0 H ASP B 29 -21.117 -5.643 0.096 1.00 0.00 H new ATOM 0 HA ASP B 29 -18.950 -4.230 -1.357 1.00 0.00 H new ATOM 0 HB2 ASP B 29 -17.674 -6.057 0.194 1.00 0.00 H new ATOM 0 HB3 ASP B 29 -17.981 -4.406 0.695 1.00 0.00 H new ATOM 1483 N TRP B 30 -18.193 -6.331 -2.667 1.00 0.00 N ATOM 1484 CA TRP B 30 -18.029 -7.470 -3.568 1.00 0.00 C ATOM 1485 C TRP B 30 -17.608 -8.682 -2.747 1.00 0.00 C ATOM 1486 O TRP B 30 -18.170 -9.768 -2.890 1.00 0.00 O ATOM 1487 CB TRP B 30 -17.032 -7.184 -4.722 1.00 0.00 C ATOM 1488 CG TRP B 30 -15.710 -6.652 -4.308 1.00 0.00 C ATOM 1489 CD1 TRP B 30 -14.737 -7.252 -3.567 1.00 0.00 C ATOM 1490 CD2 TRP B 30 -15.213 -5.381 -4.674 1.00 0.00 C ATOM 1491 NE1 TRP B 30 -13.682 -6.390 -3.407 1.00 0.00 N ATOM 1492 CE2 TRP B 30 -13.960 -5.233 -4.085 1.00 0.00 C ATOM 1493 CE3 TRP B 30 -15.734 -4.344 -5.436 1.00 0.00 C ATOM 1494 CZ2 TRP B 30 -13.221 -4.076 -4.233 1.00 0.00 C ATOM 1495 CZ3 TRP B 30 -15.001 -3.199 -5.591 1.00 0.00 C ATOM 1496 CH2 TRP B 30 -13.758 -3.067 -4.990 1.00 0.00 C ATOM 0 H TRP B 30 -17.512 -5.581 -2.785 1.00 0.00 H new ATOM 0 HA TRP B 30 -18.984 -7.669 -4.055 1.00 0.00 H new ATOM 0 HB2 TRP B 30 -16.874 -8.107 -5.279 1.00 0.00 H new ATOM 0 HB3 TRP B 30 -17.492 -6.472 -5.408 1.00 0.00 H new ATOM 0 HD1 TRP B 30 -14.788 -8.254 -3.167 1.00 0.00 H new ATOM 0 HE1 TRP B 30 -12.834 -6.579 -2.873 1.00 0.00 H new ATOM 0 HE3 TRP B 30 -16.705 -4.440 -5.900 1.00 0.00 H new ATOM 0 HZ2 TRP B 30 -12.252 -3.969 -3.768 1.00 0.00 H new ATOM 0 HZ3 TRP B 30 -15.395 -2.389 -6.188 1.00 0.00 H new ATOM 0 HH2 TRP B 30 -13.202 -2.151 -5.121 1.00 0.00 H new ATOM 1507 N ALA B 31 -16.637 -8.454 -1.857 1.00 0.00 N ATOM 1508 CA ALA B 31 -16.117 -9.472 -0.949 1.00 0.00 C ATOM 1509 C ALA B 31 -15.312 -10.544 -1.680 1.00 0.00 C ATOM 1510 O ALA B 31 -14.241 -10.955 -1.233 1.00 0.00 O ATOM 1511 CB ALA B 31 -17.260 -10.100 -0.173 1.00 0.00 C ATOM 0 H ALA B 31 -16.187 -7.545 -1.748 1.00 0.00 H new ATOM 0 HA ALA B 31 -15.433 -8.980 -0.257 1.00 0.00 H new ATOM 0 HB1 ALA B 31 -16.867 -10.859 0.503 1.00 0.00 H new ATOM 0 HB2 ALA B 31 -17.774 -9.331 0.404 1.00 0.00 H new ATOM 0 HB3 ALA B 31 -17.961 -10.562 -0.868 1.00 0.00 H new ATOM 1517 N ALA B 32 -15.835 -10.991 -2.802 1.00 0.00 N ATOM 1518 CA ALA B 32 -15.180 -12.020 -3.593 1.00 0.00 C ATOM 1519 C ALA B 32 -13.911 -11.491 -4.248 1.00 0.00 C ATOM 1520 O ALA B 32 -12.882 -12.170 -4.278 1.00 0.00 O ATOM 1521 CB ALA B 32 -16.133 -12.561 -4.648 1.00 0.00 C ATOM 0 H ALA B 32 -16.717 -10.658 -3.191 1.00 0.00 H new ATOM 0 HA ALA B 32 -14.898 -12.831 -2.921 1.00 0.00 H new ATOM 0 HB1 ALA B 32 -15.629 -13.331 -5.233 1.00 0.00 H new ATOM 0 HB2 ALA B 32 -17.009 -12.990 -4.161 1.00 0.00 H new ATOM 0 HB3 ALA B 32 -16.445 -11.750 -5.307 1.00 0.00 H new ATOM 1527 N CYS B 33 -13.983 -10.269 -4.763 1.00 0.00 N ATOM 1528 CA CYS B 33 -12.839 -9.668 -5.431 1.00 0.00 C ATOM 1529 C CYS B 33 -11.707 -9.376 -4.471 1.00 0.00 C ATOM 1530 O CYS B 33 -10.563 -9.682 -4.760 1.00 0.00 O ATOM 1531 CB CYS B 33 -13.230 -8.393 -6.155 1.00 0.00 C ATOM 1532 SG CYS B 33 -12.662 -8.346 -7.891 1.00 0.00 S ATOM 0 H CYS B 33 -14.815 -9.680 -4.731 1.00 0.00 H new ATOM 0 HA CYS B 33 -12.490 -10.400 -6.159 1.00 0.00 H new ATOM 0 HB2 CYS B 33 -14.315 -8.288 -6.132 1.00 0.00 H new ATOM 0 HB3 CYS B 33 -12.815 -7.538 -5.621 1.00 0.00 H new ATOM 1537 N LEU B 34 -11.999 -8.775 -3.336 1.00 0.00 N ATOM 1538 CA LEU B 34 -10.940 -8.467 -2.397 1.00 0.00 C ATOM 1539 C LEU B 34 -10.124 -9.714 -2.103 1.00 0.00 C ATOM 1540 O LEU B 34 -8.897 -9.663 -2.051 1.00 0.00 O ATOM 1541 CB LEU B 34 -11.487 -7.822 -1.134 1.00 0.00 C ATOM 1542 CG LEU B 34 -12.858 -8.319 -0.708 1.00 0.00 C ATOM 1543 CD1 LEU B 34 -12.721 -9.320 0.424 1.00 0.00 C ATOM 1544 CD2 LEU B 34 -13.735 -7.153 -0.299 1.00 0.00 C ATOM 0 H LEU B 34 -12.936 -8.496 -3.046 1.00 0.00 H new ATOM 0 HA LEU B 34 -10.273 -7.733 -2.850 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -10.784 -7.996 -0.320 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -11.538 -6.744 -1.286 1.00 0.00 H new ATOM 0 HG LEU B 34 -13.333 -8.820 -1.552 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -13.709 -9.670 0.722 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -12.122 -10.167 0.090 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -12.234 -8.843 1.274 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -14.714 -7.523 0.004 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -13.273 -6.625 0.535 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -13.850 -6.471 -1.141 1.00 0.00 H new ATOM 1556 N SER B 35 -10.796 -10.842 -1.936 1.00 0.00 N ATOM 1557 CA SER B 35 -10.090 -12.092 -1.710 1.00 0.00 C ATOM 1558 C SER B 35 -9.086 -12.298 -2.839 1.00 0.00 C ATOM 1559 O SER B 35 -7.988 -12.808 -2.635 1.00 0.00 O ATOM 1560 CB SER B 35 -11.075 -13.255 -1.678 1.00 0.00 C ATOM 1561 OG SER B 35 -10.415 -14.480 -1.409 1.00 0.00 O ATOM 0 H SER B 35 -11.813 -10.918 -1.952 1.00 0.00 H new ATOM 0 HA SER B 35 -9.572 -12.051 -0.752 1.00 0.00 H new ATOM 0 HB2 SER B 35 -11.832 -13.072 -0.916 1.00 0.00 H new ATOM 0 HB3 SER B 35 -11.594 -13.321 -2.634 1.00 0.00 H new ATOM 0 HG SER B 35 -11.071 -15.208 -1.393 1.00 0.00 H new ATOM 1567 N SER B 36 -9.500 -11.876 -4.032 1.00 0.00 N ATOM 1568 CA SER B 36 -8.685 -11.977 -5.249 1.00 0.00 C ATOM 1569 C SER B 36 -7.282 -11.369 -5.073 1.00 0.00 C ATOM 1570 O SER B 36 -6.286 -11.998 -5.436 1.00 0.00 O ATOM 1571 CB SER B 36 -9.409 -11.295 -6.417 1.00 0.00 C ATOM 1572 OG SER B 36 -9.048 -11.879 -7.657 1.00 0.00 O ATOM 0 H SER B 36 -10.415 -11.452 -4.186 1.00 0.00 H new ATOM 0 HA SER B 36 -8.550 -13.038 -5.461 1.00 0.00 H new ATOM 0 HB2 SER B 36 -10.487 -11.374 -6.275 1.00 0.00 H new ATOM 0 HB3 SER B 36 -9.166 -10.233 -6.428 1.00 0.00 H new ATOM 0 HG SER B 36 -9.525 -11.426 -8.383 1.00 0.00 H new ATOM 1578 N LEU B 37 -7.193 -10.148 -4.535 1.00 0.00 N ATOM 1579 CA LEU B 37 -5.879 -9.519 -4.327 1.00 0.00 C ATOM 1580 C LEU B 37 -5.107 -10.382 -3.371 1.00 0.00 C ATOM 1581 O LEU B 37 -3.972 -10.771 -3.627 1.00 0.00 O ATOM 1582 CB LEU B 37 -5.977 -8.097 -3.752 1.00 0.00 C ATOM 1583 CG LEU B 37 -4.741 -7.616 -2.992 1.00 0.00 C ATOM 1584 CD1 LEU B 37 -3.579 -7.398 -3.938 1.00 0.00 C ATOM 1585 CD2 LEU B 37 -5.037 -6.357 -2.218 1.00 0.00 C ATOM 0 H LEU B 37 -7.991 -9.585 -4.241 1.00 0.00 H new ATOM 0 HA LEU B 37 -5.386 -9.433 -5.295 1.00 0.00 H new ATOM 0 HB2 LEU B 37 -6.173 -7.404 -4.570 1.00 0.00 H new ATOM 0 HB3 LEU B 37 -6.836 -8.051 -3.083 1.00 0.00 H new ATOM 0 HG LEU B 37 -4.463 -8.393 -2.280 1.00 0.00 H new ATOM 0 HD11 LEU B 37 -2.711 -7.056 -3.375 1.00 0.00 H new ATOM 0 HD12 LEU B 37 -3.339 -8.335 -4.442 1.00 0.00 H new ATOM 0 HD13 LEU B 37 -3.850 -6.646 -4.680 1.00 0.00 H new ATOM 0 HD21 LEU B 37 -4.140 -6.037 -1.687 1.00 0.00 H new ATOM 0 HD22 LEU B 37 -5.351 -5.572 -2.906 1.00 0.00 H new ATOM 0 HD23 LEU B 37 -5.834 -6.550 -1.500 1.00 0.00 H new ATOM 1597 N SER B 38 -5.761 -10.678 -2.260 1.00 0.00 N ATOM 1598 CA SER B 38 -5.197 -11.522 -1.235 1.00 0.00 C ATOM 1599 C SER B 38 -5.052 -12.954 -1.759 1.00 0.00 C ATOM 1600 O SER B 38 -4.596 -13.852 -1.051 1.00 0.00 O ATOM 1601 CB SER B 38 -6.098 -11.472 0.005 1.00 0.00 C ATOM 1602 OG SER B 38 -6.625 -12.750 0.313 1.00 0.00 O ATOM 0 H SER B 38 -6.699 -10.336 -2.049 1.00 0.00 H new ATOM 0 HA SER B 38 -4.204 -11.166 -0.961 1.00 0.00 H new ATOM 0 HB2 SER B 38 -5.529 -11.097 0.855 1.00 0.00 H new ATOM 0 HB3 SER B 38 -6.915 -10.771 -0.165 1.00 0.00 H new ATOM 0 HG SER B 38 -7.258 -13.020 -0.385 1.00 0.00 H new ATOM 1608 N ALA B 39 -5.441 -13.141 -3.020 1.00 0.00 N ATOM 1609 CA ALA B 39 -5.369 -14.444 -3.679 1.00 0.00 C ATOM 1610 C ALA B 39 -4.205 -14.484 -4.665 1.00 0.00 C ATOM 1611 O ALA B 39 -3.878 -15.543 -5.202 1.00 0.00 O ATOM 1612 CB ALA B 39 -6.679 -14.755 -4.386 1.00 0.00 C ATOM 0 H ALA B 39 -5.813 -12.397 -3.611 1.00 0.00 H new ATOM 0 HA ALA B 39 -5.199 -15.205 -2.918 1.00 0.00 H new ATOM 0 HB1 ALA B 39 -6.608 -15.728 -4.871 1.00 0.00 H new ATOM 0 HB2 ALA B 39 -7.490 -14.770 -3.658 1.00 0.00 H new ATOM 0 HB3 ALA B 39 -6.878 -13.989 -5.136 1.00 0.00 H new ATOM 1618 N SER B 40 -3.619 -13.306 -4.909 1.00 0.00 N ATOM 1619 CA SER B 40 -2.457 -13.140 -5.797 1.00 0.00 C ATOM 1620 C SER B 40 -2.837 -12.821 -7.238 1.00 0.00 C ATOM 1621 O SER B 40 -3.636 -13.519 -7.862 1.00 0.00 O ATOM 1622 CB SER B 40 -1.544 -14.371 -5.770 1.00 0.00 C ATOM 1623 OG SER B 40 -0.313 -14.105 -6.419 1.00 0.00 O ATOM 0 H SER B 40 -3.939 -12.432 -4.493 1.00 0.00 H new ATOM 0 HA SER B 40 -1.917 -12.279 -5.402 1.00 0.00 H new ATOM 0 HB2 SER B 40 -1.358 -14.668 -4.738 1.00 0.00 H new ATOM 0 HB3 SER B 40 -2.043 -15.209 -6.258 1.00 0.00 H new ATOM 0 HG SER B 40 0.260 -13.572 -5.829 1.00 0.00 H new ATOM 1629 N SER B 41 -2.240 -11.745 -7.747 1.00 0.00 N ATOM 1630 CA SER B 41 -2.434 -11.310 -9.124 1.00 0.00 C ATOM 1631 C SER B 41 -1.070 -11.170 -9.773 1.00 0.00 C ATOM 1632 O SER B 41 -0.141 -10.643 -9.166 1.00 0.00 O ATOM 1633 CB SER B 41 -3.173 -9.971 -9.192 1.00 0.00 C ATOM 1634 OG SER B 41 -4.232 -9.926 -8.252 1.00 0.00 O ATOM 0 H SER B 41 -1.607 -11.150 -7.212 1.00 0.00 H new ATOM 0 HA SER B 41 -3.041 -12.049 -9.647 1.00 0.00 H new ATOM 0 HB2 SER B 41 -2.475 -9.156 -8.998 1.00 0.00 H new ATOM 0 HB3 SER B 41 -3.568 -9.820 -10.197 1.00 0.00 H new ATOM 0 HG SER B 41 -3.895 -9.588 -7.396 1.00 0.00 H new ATOM 1640 N ALA B 42 -0.955 -11.630 -11.006 1.00 0.00 N ATOM 1641 CA ALA B 42 0.310 -11.567 -11.734 1.00 0.00 C ATOM 1642 C ALA B 42 0.803 -10.131 -11.847 1.00 0.00 C ATOM 1643 O ALA B 42 1.932 -9.875 -12.272 1.00 0.00 O ATOM 1644 CB ALA B 42 0.150 -12.178 -13.114 1.00 0.00 C ATOM 0 H ALA B 42 -1.721 -12.053 -11.529 1.00 0.00 H new ATOM 0 HA ALA B 42 1.053 -12.138 -11.177 1.00 0.00 H new ATOM 0 HB1 ALA B 42 1.099 -12.125 -13.647 1.00 0.00 H new ATOM 0 HB2 ALA B 42 -0.155 -13.220 -13.017 1.00 0.00 H new ATOM 0 HB3 ALA B 42 -0.609 -11.628 -13.670 1.00 0.00 H new ATOM 1650 N ALA B 43 -0.053 -9.203 -11.451 1.00 0.00 N ATOM 1651 CA ALA B 43 0.250 -7.788 -11.531 1.00 0.00 C ATOM 1652 C ALA B 43 0.981 -7.257 -10.308 1.00 0.00 C ATOM 1653 O ALA B 43 2.098 -6.775 -10.431 1.00 0.00 O ATOM 1654 CB ALA B 43 -1.041 -7.018 -11.759 1.00 0.00 C ATOM 0 H ALA B 43 -0.974 -9.411 -11.066 1.00 0.00 H new ATOM 0 HA ALA B 43 0.932 -7.645 -12.369 1.00 0.00 H new ATOM 0 HB1 ALA B 43 -0.823 -5.952 -11.821 1.00 0.00 H new ATOM 0 HB2 ALA B 43 -1.502 -7.348 -12.690 1.00 0.00 H new ATOM 0 HB3 ALA B 43 -1.725 -7.201 -10.930 1.00 0.00 H new ATOM 1660 N CYS B 44 0.359 -7.345 -9.139 1.00 0.00 N ATOM 1661 CA CYS B 44 0.968 -6.838 -7.907 1.00 0.00 C ATOM 1662 C CYS B 44 2.456 -7.153 -7.824 1.00 0.00 C ATOM 1663 O CYS B 44 3.237 -6.380 -7.265 1.00 0.00 O ATOM 1664 CB CYS B 44 0.231 -7.375 -6.685 1.00 0.00 C ATOM 1665 SG CYS B 44 -0.877 -8.780 -7.026 1.00 0.00 S ATOM 0 H CYS B 44 -0.564 -7.761 -9.014 1.00 0.00 H new ATOM 0 HA CYS B 44 0.875 -5.752 -7.925 1.00 0.00 H new ATOM 0 HB2 CYS B 44 0.965 -7.680 -5.939 1.00 0.00 H new ATOM 0 HB3 CYS B 44 -0.353 -6.567 -6.245 1.00 0.00 H new ATOM 1670 N ILE B 45 2.849 -8.285 -8.374 1.00 0.00 N ATOM 1671 CA ILE B 45 4.246 -8.677 -8.369 1.00 0.00 C ATOM 1672 C ILE B 45 4.989 -8.018 -9.528 1.00 0.00 C ATOM 1673 O ILE B 45 6.070 -7.406 -9.358 1.00 0.00 O ATOM 1674 CB ILE B 45 4.416 -10.206 -8.423 1.00 0.00 C ATOM 1675 CG1 ILE B 45 3.126 -10.905 -7.991 1.00 0.00 C ATOM 1676 CG2 ILE B 45 5.570 -10.639 -7.529 1.00 0.00 C ATOM 1677 CD1 ILE B 45 2.487 -11.725 -9.091 1.00 0.00 C ATOM 0 H ILE B 45 2.223 -8.949 -8.829 1.00 0.00 H new ATOM 0 HA ILE B 45 4.677 -8.334 -7.429 1.00 0.00 H new ATOM 0 HB ILE B 45 4.639 -10.492 -9.451 1.00 0.00 H new ATOM 0 HG12 ILE B 45 3.341 -11.554 -7.142 1.00 0.00 H new ATOM 0 HG13 ILE B 45 2.414 -10.155 -7.647 1.00 0.00 H new ATOM 0 HG21 ILE B 45 5.680 -11.722 -7.576 1.00 0.00 H new ATOM 0 HG22 ILE B 45 6.491 -10.166 -7.869 1.00 0.00 H new ATOM 0 HG23 ILE B 45 5.366 -10.339 -6.501 1.00 0.00 H new ATOM 0 HD11 ILE B 45 1.577 -12.192 -8.715 1.00 0.00 H new ATOM 0 HD12 ILE B 45 2.241 -11.077 -9.932 1.00 0.00 H new ATOM 0 HD13 ILE B 45 3.182 -12.497 -9.420 1.00 0.00 H new ATOM 1689 N ALA B 46 4.381 -8.090 -10.709 1.00 0.00 N ATOM 1690 CA ALA B 46 4.995 -7.471 -11.879 1.00 0.00 C ATOM 1691 C ALA B 46 5.148 -6.000 -11.552 1.00 0.00 C ATOM 1692 O ALA B 46 5.956 -5.252 -12.119 1.00 0.00 O ATOM 1693 CB ALA B 46 4.140 -7.679 -13.120 1.00 0.00 C ATOM 0 H ALA B 46 3.490 -8.556 -10.880 1.00 0.00 H new ATOM 0 HA ALA B 46 5.963 -7.921 -12.101 1.00 0.00 H new ATOM 0 HB1 ALA B 46 4.621 -7.207 -13.977 1.00 0.00 H new ATOM 0 HB2 ALA B 46 4.027 -8.746 -13.309 1.00 0.00 H new ATOM 0 HB3 ALA B 46 3.158 -7.232 -12.964 1.00 0.00 H new ATOM 1699 N ALA B 47 4.356 -5.631 -10.569 1.00 0.00 N ATOM 1700 CA ALA B 47 4.305 -4.300 -10.049 1.00 0.00 C ATOM 1701 C ALA B 47 5.574 -3.984 -9.289 1.00 0.00 C ATOM 1702 O ALA B 47 6.168 -2.926 -9.483 1.00 0.00 O ATOM 1703 CB ALA B 47 3.106 -4.189 -9.136 1.00 0.00 C ATOM 0 H ALA B 47 3.716 -6.273 -10.103 1.00 0.00 H new ATOM 0 HA ALA B 47 4.216 -3.586 -10.867 1.00 0.00 H new ATOM 0 HB1 ALA B 47 3.051 -3.179 -8.729 1.00 0.00 H new ATOM 0 HB2 ALA B 47 2.198 -4.403 -9.700 1.00 0.00 H new ATOM 0 HB3 ALA B 47 3.203 -4.904 -8.319 1.00 0.00 H new ATOM 1709 N VAL B 48 5.999 -4.919 -8.439 1.00 0.00 N ATOM 1710 CA VAL B 48 7.204 -4.722 -7.642 1.00 0.00 C ATOM 1711 C VAL B 48 8.277 -4.087 -8.482 1.00 0.00 C ATOM 1712 O VAL B 48 9.067 -3.277 -8.004 1.00 0.00 O ATOM 1713 CB VAL B 48 7.758 -6.047 -7.080 1.00 0.00 C ATOM 1714 CG1 VAL B 48 8.871 -5.780 -6.077 1.00 0.00 C ATOM 1715 CG2 VAL B 48 6.656 -6.875 -6.449 1.00 0.00 C ATOM 0 H VAL B 48 5.530 -5.812 -8.287 1.00 0.00 H new ATOM 0 HA VAL B 48 6.926 -4.078 -6.808 1.00 0.00 H new ATOM 0 HB VAL B 48 8.173 -6.618 -7.911 1.00 0.00 H new ATOM 0 HG11 VAL B 48 9.249 -6.727 -5.692 1.00 0.00 H new ATOM 0 HG12 VAL B 48 9.680 -5.239 -6.567 1.00 0.00 H new ATOM 0 HG13 VAL B 48 8.482 -5.182 -5.253 1.00 0.00 H new ATOM 0 HG21 VAL B 48 7.075 -7.803 -6.061 1.00 0.00 H new ATOM 0 HG22 VAL B 48 6.201 -6.314 -5.633 1.00 0.00 H new ATOM 0 HG23 VAL B 48 5.898 -7.104 -7.198 1.00 0.00 H new ATOM 1725 N GLY B 49 8.304 -4.475 -9.735 1.00 0.00 N ATOM 1726 CA GLY B 49 9.300 -3.926 -10.640 1.00 0.00 C ATOM 1727 C GLY B 49 8.922 -2.627 -11.355 1.00 0.00 C ATOM 1728 O GLY B 49 9.805 -1.877 -11.759 1.00 0.00 O ATOM 0 H GLY B 49 7.665 -5.153 -10.150 1.00 0.00 H new ATOM 0 HA2 GLY B 49 10.216 -3.752 -10.076 1.00 0.00 H new ATOM 0 HA3 GLY B 49 9.528 -4.678 -11.395 1.00 0.00 H new ATOM 1732 N GLU B 50 7.632 -2.328 -11.491 1.00 0.00 N ATOM 1733 CA GLU B 50 7.214 -1.169 -12.297 1.00 0.00 C ATOM 1734 C GLU B 50 6.790 0.151 -11.613 1.00 0.00 C ATOM 1735 O GLU B 50 5.964 0.856 -12.177 1.00 0.00 O ATOM 1736 CB GLU B 50 6.209 -1.619 -13.331 1.00 0.00 C ATOM 1737 CG GLU B 50 6.902 -2.384 -14.425 1.00 0.00 C ATOM 1738 CD GLU B 50 6.692 -1.774 -15.797 1.00 0.00 C ATOM 1739 OE1 GLU B 50 7.446 -0.845 -16.156 1.00 0.00 O ATOM 1740 OE2 GLU B 50 5.774 -2.227 -16.514 1.00 0.00 O ATOM 0 H GLU B 50 6.869 -2.855 -11.067 1.00 0.00 H new ATOM 0 HA GLU B 50 8.155 -0.837 -12.735 1.00 0.00 H new ATOM 0 HB2 GLU B 50 5.450 -2.245 -12.863 1.00 0.00 H new ATOM 0 HB3 GLU B 50 5.695 -0.754 -13.750 1.00 0.00 H new ATOM 0 HG2 GLU B 50 7.970 -2.426 -14.211 1.00 0.00 H new ATOM 0 HG3 GLU B 50 6.537 -3.411 -14.430 1.00 0.00 H new ATOM 1747 N LEU B 51 7.223 0.424 -10.381 1.00 0.00 N ATOM 1748 CA LEU B 51 6.951 1.735 -9.720 1.00 0.00 C ATOM 1749 C LEU B 51 5.910 1.636 -8.644 1.00 0.00 C ATOM 1750 O LEU B 51 4.696 1.526 -8.911 1.00 0.00 O ATOM 1751 CB LEU B 51 6.589 2.850 -10.691 1.00 0.00 C ATOM 1752 CG LEU B 51 6.734 4.259 -10.118 1.00 0.00 C ATOM 1753 CD1 LEU B 51 8.198 4.622 -9.899 1.00 0.00 C ATOM 1754 CD2 LEU B 51 6.043 5.284 -11.007 1.00 0.00 C ATOM 0 H LEU B 51 7.761 -0.229 -9.811 1.00 0.00 H new ATOM 0 HA LEU B 51 7.902 2.003 -9.259 1.00 0.00 H new ATOM 0 HB2 LEU B 51 7.220 2.764 -11.575 1.00 0.00 H new ATOM 0 HB3 LEU B 51 5.559 2.709 -11.019 1.00 0.00 H new ATOM 0 HG LEU B 51 6.243 4.272 -9.145 1.00 0.00 H new ATOM 0 HD11 LEU B 51 8.266 5.630 -9.491 1.00 0.00 H new ATOM 0 HD12 LEU B 51 8.647 3.917 -9.200 1.00 0.00 H new ATOM 0 HD13 LEU B 51 8.730 4.579 -10.850 1.00 0.00 H new ATOM 0 HD21 LEU B 51 6.162 6.278 -10.576 1.00 0.00 H new ATOM 0 HD22 LEU B 51 6.490 5.264 -12.001 1.00 0.00 H new ATOM 0 HD23 LEU B 51 4.982 5.045 -11.081 1.00 0.00 H new ATOM 1766 N GLY B 52 6.436 1.704 -7.417 1.00 0.00 N ATOM 1767 CA GLY B 52 5.658 1.577 -6.215 1.00 0.00 C ATOM 1768 C GLY B 52 4.766 0.405 -6.330 1.00 0.00 C ATOM 1769 O GLY B 52 3.851 0.215 -5.533 1.00 0.00 O ATOM 0 H GLY B 52 7.431 1.851 -7.246 1.00 0.00 H new ATOM 0 HA2 GLY B 52 6.316 1.464 -5.353 1.00 0.00 H new ATOM 0 HA3 GLY B 52 5.071 2.480 -6.052 1.00 0.00 H new ATOM 1773 N LEU B 53 5.090 -0.379 -7.347 1.00 0.00 N ATOM 1774 CA LEU B 53 4.383 -1.562 -7.710 1.00 0.00 C ATOM 1775 C LEU B 53 3.393 -1.202 -8.803 1.00 0.00 C ATOM 1776 O LEU B 53 2.200 -1.478 -8.678 1.00 0.00 O ATOM 1777 CB LEU B 53 3.688 -2.237 -6.520 1.00 0.00 C ATOM 1778 CG LEU B 53 4.570 -2.613 -5.310 1.00 0.00 C ATOM 1779 CD1 LEU B 53 4.350 -4.067 -4.911 1.00 0.00 C ATOM 1780 CD2 LEU B 53 6.044 -2.356 -5.595 1.00 0.00 C ATOM 0 H LEU B 53 5.886 -0.187 -7.955 1.00 0.00 H new ATOM 0 HA LEU B 53 5.099 -2.299 -8.074 1.00 0.00 H new ATOM 0 HB2 LEU B 53 2.898 -1.573 -6.169 1.00 0.00 H new ATOM 0 HB3 LEU B 53 3.205 -3.145 -6.881 1.00 0.00 H new ATOM 0 HG LEU B 53 4.274 -1.976 -4.477 1.00 0.00 H new ATOM 0 HD11 LEU B 53 4.982 -4.309 -4.056 1.00 0.00 H new ATOM 0 HD12 LEU B 53 3.304 -4.216 -4.643 1.00 0.00 H new ATOM 0 HD13 LEU B 53 4.607 -4.717 -5.748 1.00 0.00 H new ATOM 0 HD21 LEU B 53 6.637 -2.631 -4.723 1.00 0.00 H new ATOM 0 HD22 LEU B 53 6.359 -2.953 -6.451 1.00 0.00 H new ATOM 0 HD23 LEU B 53 6.193 -1.299 -5.816 1.00 0.00 H new ATOM 1792 N ASP B 54 3.910 -0.573 -9.884 1.00 0.00 N ATOM 1793 CA ASP B 54 3.076 -0.152 -11.005 1.00 0.00 C ATOM 1794 C ASP B 54 1.634 -0.181 -10.599 1.00 0.00 C ATOM 1795 O ASP B 54 1.032 -1.245 -10.594 1.00 0.00 O ATOM 1796 CB ASP B 54 3.260 -1.085 -12.188 1.00 0.00 C ATOM 1797 CG ASP B 54 3.209 -0.362 -13.520 1.00 0.00 C ATOM 1798 OD1 ASP B 54 3.561 0.836 -13.561 1.00 0.00 O ATOM 1799 OD2 ASP B 54 2.822 -0.995 -14.525 1.00 0.00 O ATOM 0 H ASP B 54 4.900 -0.352 -9.992 1.00 0.00 H new ATOM 0 HA ASP B 54 3.371 0.858 -11.289 1.00 0.00 H new ATOM 0 HB2 ASP B 54 4.217 -1.598 -12.095 1.00 0.00 H new ATOM 0 HB3 ASP B 54 2.484 -1.850 -12.165 1.00 0.00 H new ATOM 1804 N VAL B 55 1.081 0.953 -10.227 1.00 0.00 N ATOM 1805 CA VAL B 55 -0.321 0.958 -9.801 1.00 0.00 C ATOM 1806 C VAL B 55 -1.188 0.057 -10.674 1.00 0.00 C ATOM 1807 O VAL B 55 -1.939 -0.751 -10.123 1.00 0.00 O ATOM 1808 CB VAL B 55 -0.962 2.364 -9.702 1.00 0.00 C ATOM 1809 CG1 VAL B 55 -1.842 2.688 -10.908 1.00 0.00 C ATOM 1810 CG2 VAL B 55 -1.772 2.453 -8.416 1.00 0.00 C ATOM 0 H VAL B 55 1.551 1.858 -10.206 1.00 0.00 H new ATOM 0 HA VAL B 55 -0.288 0.560 -8.787 1.00 0.00 H new ATOM 0 HB VAL B 55 -0.159 3.101 -9.692 1.00 0.00 H new ATOM 0 HG11 VAL B 55 -2.268 3.684 -10.790 1.00 0.00 H new ATOM 0 HG12 VAL B 55 -1.241 2.655 -11.816 1.00 0.00 H new ATOM 0 HG13 VAL B 55 -2.646 1.956 -10.979 1.00 0.00 H new ATOM 0 HG21 VAL B 55 -2.226 3.441 -8.340 1.00 0.00 H new ATOM 0 HG22 VAL B 55 -2.554 1.694 -8.425 1.00 0.00 H new ATOM 0 HG23 VAL B 55 -1.116 2.288 -7.561 1.00 0.00 H new ATOM 1820 N PRO B 56 -1.085 0.137 -12.037 1.00 0.00 N ATOM 1821 CA PRO B 56 -1.902 -0.698 -12.919 1.00 0.00 C ATOM 1822 C PRO B 56 -1.724 -2.162 -12.586 1.00 0.00 C ATOM 1823 O PRO B 56 -2.522 -3.009 -12.988 1.00 0.00 O ATOM 1824 CB PRO B 56 -1.376 -0.398 -14.329 1.00 0.00 C ATOM 1825 CG PRO B 56 -0.053 0.251 -14.120 1.00 0.00 C ATOM 1826 CD PRO B 56 -0.165 0.991 -12.821 1.00 0.00 C ATOM 0 HA PRO B 56 -2.967 -0.487 -12.819 1.00 0.00 H new ATOM 0 HB2 PRO B 56 -1.279 -1.311 -14.916 1.00 0.00 H new ATOM 0 HB3 PRO B 56 -2.056 0.259 -14.872 1.00 0.00 H new ATOM 0 HG2 PRO B 56 0.745 -0.490 -14.081 1.00 0.00 H new ATOM 0 HG3 PRO B 56 0.183 0.931 -14.939 1.00 0.00 H new ATOM 0 HD2 PRO B 56 0.803 1.099 -12.332 1.00 0.00 H new ATOM 0 HD3 PRO B 56 -0.565 1.995 -12.961 1.00 0.00 H new ATOM 1834 N LEU B 57 -0.627 -2.459 -11.908 1.00 0.00 N ATOM 1835 CA LEU B 57 -0.351 -3.808 -11.489 1.00 0.00 C ATOM 1836 C LEU B 57 -0.762 -4.080 -10.038 1.00 0.00 C ATOM 1837 O LEU B 57 -1.693 -4.833 -9.795 1.00 0.00 O ATOM 1838 CB LEU B 57 1.118 -4.150 -11.700 1.00 0.00 C ATOM 1839 CG LEU B 57 1.640 -3.961 -13.130 1.00 0.00 C ATOM 1840 CD1 LEU B 57 3.102 -4.360 -13.222 1.00 0.00 C ATOM 1841 CD2 LEU B 57 0.810 -4.768 -14.118 1.00 0.00 C ATOM 0 H LEU B 57 0.083 -1.777 -11.640 1.00 0.00 H new ATOM 0 HA LEU B 57 -0.963 -4.457 -12.116 1.00 0.00 H new ATOM 0 HB2 LEU B 57 1.717 -3.534 -11.029 1.00 0.00 H new ATOM 0 HB3 LEU B 57 1.277 -5.188 -11.408 1.00 0.00 H new ATOM 0 HG LEU B 57 1.551 -2.905 -13.386 1.00 0.00 H new ATOM 0 HD11 LEU B 57 3.454 -4.219 -14.244 1.00 0.00 H new ATOM 0 HD12 LEU B 57 3.691 -3.740 -12.546 1.00 0.00 H new ATOM 0 HD13 LEU B 57 3.212 -5.408 -12.942 1.00 0.00 H new ATOM 0 HD21 LEU B 57 1.198 -4.619 -15.126 1.00 0.00 H new ATOM 0 HD22 LEU B 57 0.865 -5.826 -13.861 1.00 0.00 H new ATOM 0 HD23 LEU B 57 -0.228 -4.438 -14.076 1.00 0.00 H new ATOM 1853 N ASP B 58 -0.066 -3.450 -9.080 1.00 0.00 N ATOM 1854 CA ASP B 58 -0.310 -3.685 -7.646 1.00 0.00 C ATOM 1855 C ASP B 58 -1.590 -3.117 -7.092 1.00 0.00 C ATOM 1856 O ASP B 58 -2.423 -3.866 -6.605 1.00 0.00 O ATOM 1857 CB ASP B 58 0.832 -3.133 -6.827 1.00 0.00 C ATOM 1858 CG ASP B 58 0.528 -3.073 -5.341 1.00 0.00 C ATOM 1859 OD1 ASP B 58 -0.361 -3.817 -4.884 1.00 0.00 O ATOM 1860 OD2 ASP B 58 1.177 -2.272 -4.637 1.00 0.00 O ATOM 0 H ASP B 58 0.672 -2.772 -9.271 1.00 0.00 H new ATOM 0 HA ASP B 58 -0.397 -4.769 -7.570 1.00 0.00 H new ATOM 0 HB2 ASP B 58 1.716 -3.750 -6.986 1.00 0.00 H new ATOM 0 HB3 ASP B 58 1.075 -2.132 -7.182 1.00 0.00 H new ATOM 1865 N LEU B 59 -1.744 -1.810 -7.113 1.00 0.00 N ATOM 1866 CA LEU B 59 -2.938 -1.232 -6.545 1.00 0.00 C ATOM 1867 C LEU B 59 -4.089 -1.547 -7.419 1.00 0.00 C ATOM 1868 O LEU B 59 -5.224 -1.287 -7.081 1.00 0.00 O ATOM 1869 CB LEU B 59 -2.808 0.240 -6.251 1.00 0.00 C ATOM 1870 CG LEU B 59 -2.563 0.533 -4.775 1.00 0.00 C ATOM 1871 CD1 LEU B 59 -3.852 0.494 -3.986 1.00 0.00 C ATOM 1872 CD2 LEU B 59 -1.556 -0.448 -4.178 1.00 0.00 C ATOM 0 H LEU B 59 -1.077 -1.146 -7.506 1.00 0.00 H new ATOM 0 HA LEU B 59 -3.106 -1.682 -5.567 1.00 0.00 H new ATOM 0 HB2 LEU B 59 -1.987 0.651 -6.839 1.00 0.00 H new ATOM 0 HB3 LEU B 59 -3.716 0.751 -6.571 1.00 0.00 H new ATOM 0 HG LEU B 59 -2.149 1.539 -4.710 1.00 0.00 H new ATOM 0 HD11 LEU B 59 -3.643 0.707 -2.938 1.00 0.00 H new ATOM 0 HD12 LEU B 59 -4.541 1.242 -4.378 1.00 0.00 H new ATOM 0 HD13 LEU B 59 -4.302 -0.495 -4.073 1.00 0.00 H new ATOM 0 HD21 LEU B 59 -1.401 -0.215 -3.125 1.00 0.00 H new ATOM 0 HD22 LEU B 59 -1.938 -1.464 -4.272 1.00 0.00 H new ATOM 0 HD23 LEU B 59 -0.609 -0.366 -4.711 1.00 0.00 H new ATOM 1884 N ALA B 60 -3.755 -2.010 -8.598 1.00 0.00 N ATOM 1885 CA ALA B 60 -4.739 -2.447 -9.545 1.00 0.00 C ATOM 1886 C ALA B 60 -5.035 -3.901 -9.233 1.00 0.00 C ATOM 1887 O ALA B 60 -6.131 -4.387 -9.461 1.00 0.00 O ATOM 1888 CB ALA B 60 -4.229 -2.269 -10.947 1.00 0.00 C ATOM 0 H ALA B 60 -2.792 -2.093 -8.924 1.00 0.00 H new ATOM 0 HA ALA B 60 -5.653 -1.858 -9.471 1.00 0.00 H new ATOM 0 HB1 ALA B 60 -4.987 -2.605 -11.655 1.00 0.00 H new ATOM 0 HB2 ALA B 60 -4.009 -1.216 -11.123 1.00 0.00 H new ATOM 0 HB3 ALA B 60 -3.321 -2.857 -11.081 1.00 0.00 H new ATOM 1894 N CYS B 61 -4.008 -4.586 -8.719 1.00 0.00 N ATOM 1895 CA CYS B 61 -4.135 -5.968 -8.267 1.00 0.00 C ATOM 1896 C CYS B 61 -4.973 -5.909 -7.000 1.00 0.00 C ATOM 1897 O CYS B 61 -5.830 -6.751 -6.713 1.00 0.00 O ATOM 1898 CB CYS B 61 -2.745 -6.555 -7.959 1.00 0.00 C ATOM 1899 SG CYS B 61 -2.745 -7.987 -6.833 1.00 0.00 S ATOM 0 H CYS B 61 -3.072 -4.197 -8.607 1.00 0.00 H new ATOM 0 HA CYS B 61 -4.594 -6.602 -9.026 1.00 0.00 H new ATOM 0 HB2 CYS B 61 -2.276 -6.850 -8.898 1.00 0.00 H new ATOM 0 HB3 CYS B 61 -2.124 -5.771 -7.525 1.00 0.00 H new ATOM 1904 N ALA B 62 -4.731 -4.828 -6.277 1.00 0.00 N ATOM 1905 CA ALA B 62 -5.404 -4.548 -5.034 1.00 0.00 C ATOM 1906 C ALA B 62 -6.767 -3.921 -5.298 1.00 0.00 C ATOM 1907 O ALA B 62 -7.759 -4.288 -4.665 1.00 0.00 O ATOM 1908 CB ALA B 62 -4.529 -3.644 -4.184 1.00 0.00 C ATOM 0 H ALA B 62 -4.052 -4.116 -6.546 1.00 0.00 H new ATOM 0 HA ALA B 62 -5.574 -5.477 -4.490 1.00 0.00 H new ATOM 0 HB1 ALA B 62 -5.034 -3.429 -3.242 1.00 0.00 H new ATOM 0 HB2 ALA B 62 -3.580 -4.141 -3.982 1.00 0.00 H new ATOM 0 HB3 ALA B 62 -4.343 -2.711 -4.717 1.00 0.00 H new ATOM 1914 N ALA B 63 -6.805 -2.970 -6.238 1.00 0.00 N ATOM 1915 CA ALA B 63 -8.050 -2.312 -6.617 1.00 0.00 C ATOM 1916 C ALA B 63 -8.944 -3.337 -7.245 1.00 0.00 C ATOM 1917 O ALA B 63 -10.160 -3.311 -7.090 1.00 0.00 O ATOM 1918 CB ALA B 63 -7.817 -1.177 -7.596 1.00 0.00 C ATOM 0 H ALA B 63 -5.985 -2.642 -6.748 1.00 0.00 H new ATOM 0 HA ALA B 63 -8.505 -1.883 -5.725 1.00 0.00 H new ATOM 0 HB1 ALA B 63 -8.771 -0.715 -7.851 1.00 0.00 H new ATOM 0 HB2 ALA B 63 -7.163 -0.433 -7.141 1.00 0.00 H new ATOM 0 HB3 ALA B 63 -7.349 -1.567 -8.500 1.00 0.00 H new ATOM 1924 N THR B 64 -8.316 -4.262 -7.954 1.00 0.00 N ATOM 1925 CA THR B 64 -9.062 -5.335 -8.579 1.00 0.00 C ATOM 1926 C THR B 64 -9.484 -6.303 -7.494 1.00 0.00 C ATOM 1927 O THR B 64 -9.917 -7.420 -7.772 1.00 0.00 O ATOM 1928 CB THR B 64 -8.293 -6.090 -9.702 1.00 0.00 C ATOM 1929 OG1 THR B 64 -9.223 -6.801 -10.527 1.00 0.00 O ATOM 1930 CG2 THR B 64 -7.266 -7.079 -9.150 1.00 0.00 C ATOM 0 H THR B 64 -7.308 -4.290 -8.108 1.00 0.00 H new ATOM 0 HA THR B 64 -9.919 -4.885 -9.080 1.00 0.00 H new ATOM 0 HB THR B 64 -7.755 -5.339 -10.280 1.00 0.00 H new ATOM 0 HG1 THR B 64 -9.812 -7.344 -9.963 1.00 0.00 H new ATOM 0 HG21 THR B 64 -6.760 -7.577 -9.977 1.00 0.00 H new ATOM 0 HG22 THR B 64 -6.534 -6.544 -8.546 1.00 0.00 H new ATOM 0 HG23 THR B 64 -7.772 -7.822 -8.534 1.00 0.00 H new ATOM 1938 N ALA B 65 -9.352 -5.855 -6.237 1.00 0.00 N ATOM 1939 CA ALA B 65 -9.704 -6.696 -5.115 1.00 0.00 C ATOM 1940 C ALA B 65 -9.879 -5.951 -3.774 1.00 0.00 C ATOM 1941 O ALA B 65 -10.924 -5.369 -3.532 1.00 0.00 O ATOM 1942 CB ALA B 65 -8.673 -7.776 -4.992 1.00 0.00 C ATOM 0 H ALA B 65 -9.008 -4.928 -5.988 1.00 0.00 H new ATOM 0 HA ALA B 65 -10.690 -7.110 -5.325 1.00 0.00 H new ATOM 0 HB1 ALA B 65 -8.921 -8.422 -4.150 1.00 0.00 H new ATOM 0 HB2 ALA B 65 -8.653 -8.366 -5.908 1.00 0.00 H new ATOM 0 HB3 ALA B 65 -7.693 -7.327 -4.828 1.00 0.00 H new ATOM 1948 N THR B 66 -8.869 -5.988 -2.889 1.00 0.00 N ATOM 1949 CA THR B 66 -9.010 -5.376 -1.552 1.00 0.00 C ATOM 1950 C THR B 66 -8.791 -3.874 -1.528 1.00 0.00 C ATOM 1951 O THR B 66 -9.590 -3.166 -0.923 1.00 0.00 O ATOM 1952 CB THR B 66 -8.094 -6.006 -0.487 1.00 0.00 C ATOM 1953 OG1 THR B 66 -6.829 -5.355 -0.486 1.00 0.00 O ATOM 1954 CG2 THR B 66 -7.907 -7.491 -0.720 1.00 0.00 C ATOM 0 H THR B 66 -7.964 -6.424 -3.066 1.00 0.00 H new ATOM 0 HA THR B 66 -10.051 -5.583 -1.306 1.00 0.00 H new ATOM 0 HB THR B 66 -8.574 -5.876 0.483 1.00 0.00 H new ATOM 0 HG1 THR B 66 -6.603 -5.080 0.427 1.00 0.00 H new ATOM 0 HG21 THR B 66 -7.255 -7.901 0.051 1.00 0.00 H new ATOM 0 HG22 THR B 66 -8.875 -7.990 -0.680 1.00 0.00 H new ATOM 0 HG23 THR B 66 -7.456 -7.652 -1.699 1.00 0.00 H new ATOM 1962 N SER B 67 -7.722 -3.362 -2.149 1.00 0.00 N ATOM 1963 CA SER B 67 -7.530 -1.905 -2.133 1.00 0.00 C ATOM 1964 C SER B 67 -8.868 -1.330 -2.492 1.00 0.00 C ATOM 1965 O SER B 67 -9.255 -0.234 -2.086 1.00 0.00 O ATOM 1966 CB SER B 67 -6.455 -1.422 -3.090 1.00 0.00 C ATOM 1967 OG SER B 67 -6.410 -0.009 -3.098 1.00 0.00 O ATOM 0 H SER B 67 -7.010 -3.899 -2.644 1.00 0.00 H new ATOM 0 HA SER B 67 -7.180 -1.582 -1.153 1.00 0.00 H new ATOM 0 HB2 SER B 67 -5.486 -1.823 -2.793 1.00 0.00 H new ATOM 0 HB3 SER B 67 -6.658 -1.793 -4.095 1.00 0.00 H new ATOM 0 HG SER B 67 -6.376 0.312 -4.023 1.00 0.00 H new ATOM 1973 N SER B 68 -9.545 -2.132 -3.296 1.00 0.00 N ATOM 1974 CA SER B 68 -10.895 -1.932 -3.673 1.00 0.00 C ATOM 1975 C SER B 68 -11.147 -0.882 -4.715 1.00 0.00 C ATOM 1976 O SER B 68 -11.050 0.318 -4.475 1.00 0.00 O ATOM 1977 CB SER B 68 -11.751 -1.690 -2.448 1.00 0.00 C ATOM 1978 OG SER B 68 -13.070 -1.336 -2.816 1.00 0.00 O ATOM 0 H SER B 68 -9.134 -2.969 -3.710 1.00 0.00 H new ATOM 0 HA SER B 68 -11.180 -2.861 -4.166 1.00 0.00 H new ATOM 0 HB2 SER B 68 -11.770 -2.587 -1.830 1.00 0.00 H new ATOM 0 HB3 SER B 68 -11.312 -0.896 -1.844 1.00 0.00 H new ATOM 0 HG SER B 68 -13.147 -0.360 -2.858 1.00 0.00 H new ATOM 1984 N ALA B 69 -11.490 -1.395 -5.874 1.00 0.00 N ATOM 1985 CA ALA B 69 -11.873 -0.599 -7.023 1.00 0.00 C ATOM 1986 C ALA B 69 -11.902 -1.475 -8.264 1.00 0.00 C ATOM 1987 O ALA B 69 -11.388 -1.108 -9.321 1.00 0.00 O ATOM 1988 CB ALA B 69 -10.951 0.592 -7.218 1.00 0.00 C ATOM 0 H ALA B 69 -11.512 -2.399 -6.051 1.00 0.00 H new ATOM 0 HA ALA B 69 -12.871 -0.199 -6.844 1.00 0.00 H new ATOM 0 HB1 ALA B 69 -11.273 1.162 -8.089 1.00 0.00 H new ATOM 0 HB2 ALA B 69 -10.987 1.229 -6.334 1.00 0.00 H new ATOM 0 HB3 ALA B 69 -9.930 0.241 -7.371 1.00 0.00 H new ATOM 1994 N THR B 70 -12.513 -2.641 -8.110 1.00 0.00 N ATOM 1995 CA THR B 70 -12.616 -3.607 -9.191 1.00 0.00 C ATOM 1996 C THR B 70 -13.951 -3.487 -9.908 1.00 0.00 C ATOM 1997 O THR B 70 -14.968 -4.004 -9.450 1.00 0.00 O ATOM 1998 CB THR B 70 -12.437 -5.052 -8.679 1.00 0.00 C ATOM 1999 OG1 THR B 70 -13.362 -5.928 -9.332 1.00 0.00 O ATOM 2000 CG2 THR B 70 -12.630 -5.131 -7.173 1.00 0.00 C ATOM 0 H THR B 70 -12.948 -2.941 -7.238 1.00 0.00 H new ATOM 0 HA THR B 70 -11.813 -3.383 -9.893 1.00 0.00 H new ATOM 0 HB THR B 70 -11.419 -5.364 -8.911 1.00 0.00 H new ATOM 0 HG1 THR B 70 -13.569 -6.683 -8.743 1.00 0.00 H new ATOM 0 HG21 THR B 70 -12.498 -6.161 -6.843 1.00 0.00 H new ATOM 0 HG22 THR B 70 -11.897 -4.494 -6.678 1.00 0.00 H new ATOM 0 HG23 THR B 70 -13.634 -4.794 -6.917 1.00 0.00 H new ATOM 2008 N GLU B 71 -13.934 -2.799 -11.039 1.00 0.00 N ATOM 2009 CA GLU B 71 -15.131 -2.603 -11.844 1.00 0.00 C ATOM 2010 C GLU B 71 -15.635 -3.935 -12.390 1.00 0.00 C ATOM 2011 O GLU B 71 -16.675 -4.003 -13.046 1.00 0.00 O ATOM 2012 CB GLU B 71 -14.819 -1.615 -12.973 1.00 0.00 C ATOM 2013 CG GLU B 71 -15.912 -1.493 -14.025 1.00 0.00 C ATOM 2014 CD GLU B 71 -15.593 -0.454 -15.081 1.00 0.00 C ATOM 2015 OE1 GLU B 71 -15.752 0.752 -14.795 1.00 0.00 O ATOM 2016 OE2 GLU B 71 -15.185 -0.844 -16.195 1.00 0.00 O ATOM 0 H GLU B 71 -13.096 -2.363 -11.424 1.00 0.00 H new ATOM 0 HA GLU B 71 -15.926 -2.188 -11.225 1.00 0.00 H new ATOM 0 HB2 GLU B 71 -14.639 -0.632 -12.539 1.00 0.00 H new ATOM 0 HB3 GLU B 71 -13.894 -1.922 -13.462 1.00 0.00 H new ATOM 0 HG2 GLU B 71 -16.058 -2.460 -14.505 1.00 0.00 H new ATOM 0 HG3 GLU B 71 -16.852 -1.234 -13.538 1.00 0.00 H new ATOM 2023 N ALA B 72 -14.902 -5.002 -12.093 1.00 0.00 N ATOM 2024 CA ALA B 72 -15.273 -6.324 -12.565 1.00 0.00 C ATOM 2025 C ALA B 72 -16.108 -7.092 -11.538 1.00 0.00 C ATOM 2026 O ALA B 72 -16.991 -7.866 -11.912 1.00 0.00 O ATOM 2027 CB ALA B 72 -14.033 -7.117 -12.949 1.00 0.00 C ATOM 0 H ALA B 72 -14.052 -4.975 -11.530 1.00 0.00 H new ATOM 0 HA ALA B 72 -15.897 -6.190 -13.449 1.00 0.00 H new ATOM 0 HB1 ALA B 72 -14.328 -8.106 -13.301 1.00 0.00 H new ATOM 0 HB2 ALA B 72 -13.498 -6.594 -13.742 1.00 0.00 H new ATOM 0 HB3 ALA B 72 -13.383 -7.220 -12.080 1.00 0.00 H new ATOM 2033 N CYS B 73 -15.833 -6.888 -10.249 1.00 0.00 N ATOM 2034 CA CYS B 73 -16.582 -7.579 -9.197 1.00 0.00 C ATOM 2035 C CYS B 73 -17.398 -6.607 -8.390 1.00 0.00 C ATOM 2036 O CYS B 73 -18.110 -7.005 -7.468 1.00 0.00 O ATOM 2037 CB CYS B 73 -15.653 -8.279 -8.208 1.00 0.00 C ATOM 2038 SG CYS B 73 -14.216 -9.106 -8.950 1.00 0.00 S ATOM 0 H CYS B 73 -15.106 -6.258 -9.910 1.00 0.00 H new ATOM 0 HA CYS B 73 -17.216 -8.303 -9.709 1.00 0.00 H new ATOM 0 HB2 CYS B 73 -15.297 -7.544 -7.486 1.00 0.00 H new ATOM 0 HB3 CYS B 73 -16.230 -9.018 -7.652 1.00 0.00 H new ATOM 2043 N LYS B 74 -17.309 -5.338 -8.728 1.00 0.00 N ATOM 2044 CA LYS B 74 -17.989 -4.342 -7.944 1.00 0.00 C ATOM 2045 C LYS B 74 -19.497 -4.408 -7.995 1.00 0.00 C ATOM 2046 O LYS B 74 -20.111 -5.446 -7.749 1.00 0.00 O ATOM 2047 CB LYS B 74 -17.519 -2.930 -8.257 1.00 0.00 C ATOM 2048 CG LYS B 74 -17.791 -1.982 -7.098 1.00 0.00 C ATOM 2049 CD LYS B 74 -18.912 -0.994 -7.390 1.00 0.00 C ATOM 2050 CE LYS B 74 -19.252 -0.113 -6.202 1.00 0.00 C ATOM 2051 NZ LYS B 74 -20.106 1.043 -6.593 1.00 0.00 N ATOM 0 H LYS B 74 -16.782 -4.981 -9.525 1.00 0.00 H new ATOM 0 HA LYS B 74 -17.707 -4.593 -6.921 1.00 0.00 H new ATOM 0 HB2 LYS B 74 -16.451 -2.941 -8.477 1.00 0.00 H new ATOM 0 HB3 LYS B 74 -18.025 -2.567 -9.152 1.00 0.00 H new ATOM 0 HG2 LYS B 74 -18.048 -2.563 -6.212 1.00 0.00 H new ATOM 0 HG3 LYS B 74 -16.880 -1.431 -6.865 1.00 0.00 H new ATOM 0 HD2 LYS B 74 -18.623 -0.364 -8.231 1.00 0.00 H new ATOM 0 HD3 LYS B 74 -19.803 -1.544 -7.694 1.00 0.00 H new ATOM 0 HE2 LYS B 74 -19.768 -0.706 -5.446 1.00 0.00 H new ATOM 0 HE3 LYS B 74 -18.332 0.253 -5.747 1.00 0.00 H new ATOM 0 HZ1 LYS B 74 -20.176 1.708 -5.797 1.00 0.00 H new ATOM 0 HZ2 LYS B 74 -19.683 1.526 -7.411 1.00 0.00 H new ATOM 0 HZ3 LYS B 74 -21.056 0.703 -6.845 1.00 0.00 H new ATOM 2065 N GLY B 75 -20.074 -3.275 -8.319 1.00 0.00 N ATOM 2066 CA GLY B 75 -21.490 -3.130 -8.278 1.00 0.00 C ATOM 2067 C GLY B 75 -21.867 -3.164 -6.821 1.00 0.00 C ATOM 2068 O GLY B 75 -23.009 -3.451 -6.459 1.00 0.00 O ATOM 0 H GLY B 75 -19.570 -2.439 -8.615 1.00 0.00 H new ATOM 0 HA2 GLY B 75 -21.800 -2.193 -8.740 1.00 0.00 H new ATOM 0 HA3 GLY B 75 -21.981 -3.933 -8.827 1.00 0.00 H new ATOM 2072 N CYS B 76 -20.862 -2.851 -5.972 1.00 0.00 N ATOM 2073 CA CYS B 76 -21.037 -2.905 -4.541 1.00 0.00 C ATOM 2074 C CYS B 76 -19.964 -2.151 -3.723 1.00 0.00 C ATOM 2075 O CYS B 76 -20.272 -1.172 -3.048 1.00 0.00 O ATOM 2076 CB CYS B 76 -20.976 -4.372 -4.119 1.00 0.00 C ATOM 2077 SG CYS B 76 -22.566 -5.258 -4.130 1.00 0.00 S ATOM 0 H CYS B 76 -19.931 -2.561 -6.273 1.00 0.00 H new ATOM 0 HA CYS B 76 -21.991 -2.420 -4.333 1.00 0.00 H new ATOM 0 HB2 CYS B 76 -20.285 -4.894 -4.781 1.00 0.00 H new ATOM 0 HB3 CYS B 76 -20.557 -4.426 -3.114 1.00 0.00 H new ATOM 2082 N LEU B 77 -18.704 -2.593 -3.820 1.00 0.00 N ATOM 2083 CA LEU B 77 -17.624 -2.091 -2.939 1.00 0.00 C ATOM 2084 C LEU B 77 -16.636 -1.029 -3.472 1.00 0.00 C ATOM 2085 O LEU B 77 -15.914 -0.463 -2.654 1.00 0.00 O ATOM 2086 CB LEU B 77 -16.808 -3.306 -2.514 1.00 0.00 C ATOM 2087 CG LEU B 77 -15.645 -3.041 -1.554 1.00 0.00 C ATOM 2088 CD1 LEU B 77 -16.152 -2.438 -0.264 1.00 0.00 C ATOM 2089 CD2 LEU B 77 -14.882 -4.320 -1.271 1.00 0.00 C ATOM 0 H LEU B 77 -18.401 -3.295 -4.495 1.00 0.00 H new ATOM 0 HA LEU B 77 -18.155 -1.556 -2.152 1.00 0.00 H new ATOM 0 HB2 LEU B 77 -17.482 -4.023 -2.045 1.00 0.00 H new ATOM 0 HB3 LEU B 77 -16.410 -3.781 -3.411 1.00 0.00 H new ATOM 0 HG LEU B 77 -14.966 -2.332 -2.028 1.00 0.00 H new ATOM 0 HD11 LEU B 77 -15.313 -2.256 0.407 1.00 0.00 H new ATOM 0 HD12 LEU B 77 -16.658 -1.496 -0.477 1.00 0.00 H new ATOM 0 HD13 LEU B 77 -16.852 -3.127 0.209 1.00 0.00 H new ATOM 0 HD21 LEU B 77 -14.060 -4.109 -0.587 1.00 0.00 H new ATOM 0 HD22 LEU B 77 -15.552 -5.051 -0.819 1.00 0.00 H new ATOM 0 HD23 LEU B 77 -14.484 -4.720 -2.204 1.00 0.00 H new ATOM 2101 N TRP B 78 -16.583 -0.741 -4.774 1.00 0.00 N ATOM 2102 CA TRP B 78 -15.589 0.236 -5.307 1.00 0.00 C ATOM 2103 C TRP B 78 -14.938 1.082 -4.215 1.00 0.00 C ATOM 2104 O TRP B 78 -13.718 0.926 -4.003 1.00 0.00 O ATOM 2105 CB TRP B 78 -16.179 1.169 -6.376 1.00 0.00 C ATOM 2106 CG TRP B 78 -16.061 0.634 -7.763 1.00 0.00 C ATOM 2107 CD1 TRP B 78 -15.179 -0.302 -8.211 1.00 0.00 C ATOM 2108 CD2 TRP B 78 -16.866 0.991 -8.880 1.00 0.00 C ATOM 2109 NE1 TRP B 78 -15.412 -0.576 -9.529 1.00 0.00 N ATOM 2110 CE2 TRP B 78 -16.442 0.211 -9.965 1.00 0.00 C ATOM 2111 CE3 TRP B 78 -17.914 1.887 -9.062 1.00 0.00 C ATOM 2112 CZ2 TRP B 78 -17.033 0.296 -11.212 1.00 0.00 C ATOM 2113 CZ3 TRP B 78 -18.502 1.980 -10.307 1.00 0.00 C ATOM 2114 CH2 TRP B 78 -18.062 1.183 -11.370 1.00 0.00 C ATOM 2115 OXT TRP B 78 -15.646 1.888 -3.580 1.00 0.00 O ATOM 0 H TRP B 78 -17.196 -1.152 -5.478 1.00 0.00 H new ATOM 0 HA TRP B 78 -14.823 -0.386 -5.770 1.00 0.00 H new ATOM 0 HB2 TRP B 78 -17.231 1.346 -6.152 1.00 0.00 H new ATOM 0 HB3 TRP B 78 -15.675 2.134 -6.323 1.00 0.00 H new ATOM 0 HD1 TRP B 78 -14.407 -0.761 -7.611 1.00 0.00 H new ATOM 0 HE1 TRP B 78 -14.902 -1.255 -10.094 1.00 0.00 H new ATOM 0 HE3 TRP B 78 -18.262 2.499 -8.243 1.00 0.00 H new ATOM 0 HZ2 TRP B 78 -16.694 -0.317 -12.034 1.00 0.00 H new ATOM 0 HZ3 TRP B 78 -19.312 2.677 -10.463 1.00 0.00 H new ATOM 0 HH2 TRP B 78 -18.544 1.270 -12.333 1.00 0.00 H new