USER MOD reduce.3.24.130724 H: found=0, std=0, add=774, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 772 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: A 42 SER OG : rot -63:sc= 0.59 USER MOD Set 1.2: A 87 GLN :FLIP amide:sc= -0.899 F(o=-2.7!,f=-0.31) USER MOD Set 2.1: A 49 HIS : no HD1:sc= -22.1! C(o=-25!,f=-32!) USER MOD Set 2.2: A 51 TYR OH : rot 176:sc= -2.51! USER MOD Set 3.1: A 44 SER OG : rot -63:sc= -0.0904 USER MOD Set 3.2: A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER N :NH3+ -117:sc= 0.697 (180deg=0) USER MOD Single : A 1 SER OG : rot -175:sc= 0.393 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 TYR OH : rot 149:sc= -1.46! USER MOD Single : A 7 SER OG : rot 180:sc= 0.171 USER MOD Single : A 8 HIS :FLIP no HE2:sc= -16.5! C(o=-17!,f=-16!) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= -0.452 X(o=-0.45,f=-0.078) USER MOD Single : A 22 SER OG : rot -27:sc= 0.876 USER MOD Single : A 24 MET CE :methyl -129:sc= -2.34 (180deg=-4.16!) USER MOD Single : A 25 GLN : amide:sc= -0.0583 K(o=-0.058,f=-2.1!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -15.6! C(o=-16!,f=-16!) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 104:sc= -2.22! USER MOD Single : A 53 ASN : amide:sc= -0.441 K(o=-0.44,f=-3.2!) USER MOD Single : A 57 THR OG1 : rot -101:sc= 0.828 USER MOD Single : A 59 LYS NZ :NH3+ -140:sc= 0.179 (180deg=-1.32) USER MOD Single : A 64 ASN :FLIP amide:sc= -1.89 F(o=-3.1,f=-1.9) USER MOD Single : A 73 CYS SG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 59:sc= -0.337! USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN :FLIP amide:sc= -3.36! C(o=-11!,f=-3.4!) USER MOD Single : A 82 SER OG : rot -108:sc= -0.0488! USER MOD Single : A 85 CYS SG : rot 180:sc= -2.89! USER MOD Single : A 90 MET CE :methyl 154:sc= -9.37! (180deg=-10.1!) USER MOD Single : A 91 THR OG1 : rot -165:sc= -1.25 USER MOD Single : A 105 GLN : amide:sc= -0.0175 X(o=-0.018,f=-0.31) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 16.457 18.888 14.824 1.00 0.00 N ATOM 2 CA SER A 1 15.009 19.019 14.496 1.00 0.00 C ATOM 3 C SER A 1 14.704 20.464 14.098 1.00 0.00 C ATOM 4 O SER A 1 15.534 21.342 14.222 1.00 0.00 O ATOM 5 CB SER A 1 14.171 18.642 15.718 1.00 0.00 C ATOM 6 OG SER A 1 15.034 18.406 16.823 1.00 0.00 O ATOM 0 H1 SER A 1 16.907 18.232 14.154 1.00 0.00 H new ATOM 0 H2 SER A 1 16.914 19.820 14.756 1.00 0.00 H new ATOM 0 H3 SER A 1 16.562 18.521 15.791 1.00 0.00 H new ATOM 0 HA SER A 1 14.765 18.353 13.668 1.00 0.00 H new ATOM 0 HB2 SER A 1 13.470 19.442 15.954 1.00 0.00 H new ATOM 0 HB3 SER A 1 13.579 17.751 15.507 1.00 0.00 H new ATOM 0 HG SER A 1 14.509 18.084 17.585 1.00 0.00 H new ATOM 14 N LYS A 2 13.515 20.716 13.625 1.00 0.00 N ATOM 15 CA LYS A 2 13.151 22.103 13.221 1.00 0.00 C ATOM 16 C LYS A 2 11.720 22.392 13.665 1.00 0.00 C ATOM 17 O LYS A 2 11.031 21.527 14.170 1.00 0.00 O ATOM 18 CB LYS A 2 13.256 22.238 11.702 1.00 0.00 C ATOM 19 CG LYS A 2 14.104 23.462 11.354 1.00 0.00 C ATOM 20 CD LYS A 2 14.061 23.702 9.844 1.00 0.00 C ATOM 21 CE LYS A 2 15.271 23.037 9.186 1.00 0.00 C ATOM 22 NZ LYS A 2 15.386 23.500 7.774 1.00 0.00 N ATOM 0 H LYS A 2 12.779 20.021 13.501 1.00 0.00 H new ATOM 0 HA LYS A 2 13.831 22.814 13.691 1.00 0.00 H new ATOM 0 HB2 LYS A 2 13.704 21.340 11.277 1.00 0.00 H new ATOM 0 HB3 LYS A 2 12.262 22.336 11.266 1.00 0.00 H new ATOM 0 HG2 LYS A 2 13.730 24.339 11.883 1.00 0.00 H new ATOM 0 HG3 LYS A 2 15.133 23.309 11.679 1.00 0.00 H new ATOM 0 HD2 LYS A 2 13.139 23.297 9.427 1.00 0.00 H new ATOM 0 HD3 LYS A 2 14.063 24.772 9.635 1.00 0.00 H new ATOM 0 HE2 LYS A 2 16.179 23.284 9.736 1.00 0.00 H new ATOM 0 HE3 LYS A 2 15.165 21.953 9.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 16.209 23.048 7.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 14.523 23.243 7.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 15.506 24.533 7.756 1.00 0.00 H new ATOM 36 N VAL A 3 11.267 23.601 13.494 1.00 0.00 N ATOM 37 CA VAL A 3 9.884 23.935 13.924 1.00 0.00 C ATOM 38 C VAL A 3 9.340 25.084 13.070 1.00 0.00 C ATOM 39 O VAL A 3 10.084 25.858 12.505 1.00 0.00 O ATOM 40 CB VAL A 3 9.919 24.354 15.400 1.00 0.00 C ATOM 41 CG1 VAL A 3 8.689 25.197 15.746 1.00 0.00 C ATOM 42 CG2 VAL A 3 9.937 23.104 16.281 1.00 0.00 C ATOM 0 H VAL A 3 11.793 24.369 13.077 1.00 0.00 H new ATOM 0 HA VAL A 3 9.235 23.068 13.799 1.00 0.00 H new ATOM 0 HB VAL A 3 10.816 24.948 15.576 1.00 0.00 H new ATOM 0 HG11 VAL A 3 8.730 25.486 16.796 1.00 0.00 H new ATOM 0 HG12 VAL A 3 8.675 26.092 15.124 1.00 0.00 H new ATOM 0 HG13 VAL A 3 7.786 24.614 15.564 1.00 0.00 H new ATOM 0 HG21 VAL A 3 9.962 23.399 17.330 1.00 0.00 H new ATOM 0 HG22 VAL A 3 9.041 22.512 16.091 1.00 0.00 H new ATOM 0 HG23 VAL A 3 10.821 22.509 16.050 1.00 0.00 H new ATOM 52 N VAL A 4 8.045 25.200 12.982 1.00 0.00 N ATOM 53 CA VAL A 4 7.448 26.306 12.182 1.00 0.00 C ATOM 54 C VAL A 4 6.032 26.575 12.679 1.00 0.00 C ATOM 55 O VAL A 4 5.169 25.732 12.596 1.00 0.00 O ATOM 56 CB VAL A 4 7.417 25.922 10.705 1.00 0.00 C ATOM 57 CG1 VAL A 4 6.793 27.059 9.893 1.00 0.00 C ATOM 58 CG2 VAL A 4 8.845 25.671 10.214 1.00 0.00 C ATOM 0 H VAL A 4 7.373 24.577 13.430 1.00 0.00 H new ATOM 0 HA VAL A 4 8.052 27.206 12.297 1.00 0.00 H new ATOM 0 HB VAL A 4 6.823 25.017 10.578 1.00 0.00 H new ATOM 0 HG11 VAL A 4 6.771 26.784 8.839 1.00 0.00 H new ATOM 0 HG12 VAL A 4 5.776 27.240 10.242 1.00 0.00 H new ATOM 0 HG13 VAL A 4 7.386 27.965 10.019 1.00 0.00 H new ATOM 0 HG21 VAL A 4 8.824 25.397 9.159 1.00 0.00 H new ATOM 0 HG22 VAL A 4 9.438 26.577 10.342 1.00 0.00 H new ATOM 0 HG23 VAL A 4 9.291 24.861 10.791 1.00 0.00 H new ATOM 68 N TYR A 5 5.783 27.749 13.191 1.00 0.00 N ATOM 69 CA TYR A 5 4.408 28.053 13.689 1.00 0.00 C ATOM 70 C TYR A 5 3.624 28.769 12.599 1.00 0.00 C ATOM 71 O TYR A 5 4.182 29.429 11.749 1.00 0.00 O ATOM 72 CB TYR A 5 4.441 28.964 14.920 1.00 0.00 C ATOM 73 CG TYR A 5 5.257 28.354 16.033 1.00 0.00 C ATOM 74 CD1 TYR A 5 6.610 28.054 15.842 1.00 0.00 C ATOM 75 CD2 TYR A 5 4.655 28.105 17.271 1.00 0.00 C ATOM 76 CE1 TYR A 5 7.357 27.505 16.887 1.00 0.00 C ATOM 77 CE2 TYR A 5 5.403 27.555 18.314 1.00 0.00 C ATOM 78 CZ TYR A 5 6.755 27.255 18.124 1.00 0.00 C ATOM 79 OH TYR A 5 7.493 26.710 19.155 1.00 0.00 O ATOM 0 H TYR A 5 6.462 28.504 13.286 1.00 0.00 H new ATOM 0 HA TYR A 5 3.939 27.107 13.959 1.00 0.00 H new ATOM 0 HB2 TYR A 5 4.861 29.932 14.647 1.00 0.00 H new ATOM 0 HB3 TYR A 5 3.424 29.144 15.269 1.00 0.00 H new ATOM 0 HD1 TYR A 5 7.077 28.247 14.887 1.00 0.00 H new ATOM 0 HD2 TYR A 5 3.611 28.338 17.420 1.00 0.00 H new ATOM 0 HE1 TYR A 5 8.401 27.273 16.739 1.00 0.00 H new ATOM 0 HE2 TYR A 5 4.936 27.361 19.269 1.00 0.00 H new ATOM 0 HH TYR A 5 7.147 27.035 20.012 1.00 0.00 H new ATOM 89 N VAL A 6 2.331 28.652 12.631 1.00 0.00 N ATOM 90 CA VAL A 6 1.492 29.331 11.608 1.00 0.00 C ATOM 91 C VAL A 6 0.329 30.028 12.299 1.00 0.00 C ATOM 92 O VAL A 6 -0.248 29.508 13.231 1.00 0.00 O ATOM 93 CB VAL A 6 0.916 28.305 10.627 1.00 0.00 C ATOM 94 CG1 VAL A 6 0.530 29.009 9.324 1.00 0.00 C ATOM 95 CG2 VAL A 6 1.946 27.211 10.336 1.00 0.00 C ATOM 0 H VAL A 6 1.814 28.112 13.325 1.00 0.00 H new ATOM 0 HA VAL A 6 2.111 30.049 11.069 1.00 0.00 H new ATOM 0 HB VAL A 6 0.033 27.845 11.071 1.00 0.00 H new ATOM 0 HG11 VAL A 6 0.120 28.281 8.625 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -0.218 29.774 9.532 1.00 0.00 H new ATOM 0 HG13 VAL A 6 1.413 29.475 8.887 1.00 0.00 H new ATOM 0 HG21 VAL A 6 1.523 26.489 9.638 1.00 0.00 H new ATOM 0 HG22 VAL A 6 2.839 27.659 9.899 1.00 0.00 H new ATOM 0 HG23 VAL A 6 2.211 26.705 11.264 1.00 0.00 H new ATOM 105 N SER A 7 -0.049 31.181 11.834 1.00 0.00 N ATOM 106 CA SER A 7 -1.206 31.867 12.451 1.00 0.00 C ATOM 107 C SER A 7 -2.457 31.184 11.926 1.00 0.00 C ATOM 108 O SER A 7 -2.409 30.056 11.480 1.00 0.00 O ATOM 109 CB SER A 7 -1.210 33.344 12.056 1.00 0.00 C ATOM 110 OG SER A 7 -2.060 34.064 12.940 1.00 0.00 O ATOM 0 H SER A 7 0.392 31.674 11.058 1.00 0.00 H new ATOM 0 HA SER A 7 -1.159 31.811 13.539 1.00 0.00 H new ATOM 0 HB2 SER A 7 -0.198 33.746 12.098 1.00 0.00 H new ATOM 0 HB3 SER A 7 -1.556 33.457 11.028 1.00 0.00 H new ATOM 0 HG SER A 7 -2.064 35.012 12.691 1.00 0.00 H new ATOM 116 N HIS A 8 -3.570 31.841 11.961 1.00 0.00 N ATOM 117 CA HIS A 8 -4.801 31.193 11.441 1.00 0.00 C ATOM 118 C HIS A 8 -4.539 30.816 9.974 1.00 0.00 C ATOM 119 O HIS A 8 -3.843 29.862 9.689 1.00 0.00 O ATOM 120 CB HIS A 8 -5.987 32.158 11.548 1.00 0.00 C ATOM 121 CG HIS A 8 -6.284 32.474 12.991 1.00 0.00 C ATOM 122 ND1 HIS A 8 -7.418 32.949 13.603 1.00 0.00 N flip ATOM 123 CD2 HIS A 8 -5.349 32.316 14.003 1.00 0.00 C flip ATOM 124 CE1 HIS A 8 -7.193 33.085 14.969 1.00 0.00 C flip ATOM 125 NE2 HIS A 8 -5.931 32.690 15.156 1.00 0.00 N flip ATOM 0 H HIS A 8 -3.686 32.788 12.322 1.00 0.00 H new ATOM 0 HA HIS A 8 -5.046 30.303 12.021 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -5.765 33.078 11.007 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -6.866 31.716 11.078 1.00 0.00 H new ATOM 0 HD1 HIS A 8 -8.293 33.169 13.128 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -4.337 31.958 13.886 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -7.889 33.435 15.717 1.00 0.00 H new ATOM 133 N ASP A 9 -5.062 31.559 9.036 1.00 0.00 N ATOM 134 CA ASP A 9 -4.798 31.238 7.605 1.00 0.00 C ATOM 135 C ASP A 9 -3.934 32.349 6.996 1.00 0.00 C ATOM 136 O ASP A 9 -4.432 33.203 6.290 1.00 0.00 O ATOM 137 CB ASP A 9 -6.125 31.147 6.848 1.00 0.00 C ATOM 138 CG ASP A 9 -6.007 30.106 5.734 1.00 0.00 C ATOM 139 OD1 ASP A 9 -5.245 30.340 4.809 1.00 0.00 O ATOM 140 OD2 ASP A 9 -6.679 29.092 5.823 1.00 0.00 O ATOM 0 H ASP A 9 -5.658 32.371 9.198 1.00 0.00 H new ATOM 0 HA ASP A 9 -4.277 30.284 7.531 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -6.928 30.873 7.532 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -6.383 32.119 6.426 1.00 0.00 H new ATOM 145 N GLY A 10 -2.651 32.367 7.265 1.00 0.00 N ATOM 146 CA GLY A 10 -1.807 33.455 6.690 1.00 0.00 C ATOM 147 C GLY A 10 -0.367 32.979 6.472 1.00 0.00 C ATOM 148 O GLY A 10 -0.062 32.313 5.503 1.00 0.00 O ATOM 0 H GLY A 10 -2.161 31.688 7.847 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -2.231 33.786 5.742 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -1.812 34.315 7.359 1.00 0.00 H new ATOM 152 N THR A 11 0.525 33.337 7.358 1.00 0.00 N ATOM 153 CA THR A 11 1.949 32.935 7.198 1.00 0.00 C ATOM 154 C THR A 11 2.391 32.099 8.395 1.00 0.00 C ATOM 155 O THR A 11 1.614 31.780 9.273 1.00 0.00 O ATOM 156 CB THR A 11 2.823 34.192 7.107 1.00 0.00 C ATOM 157 OG1 THR A 11 2.106 35.218 6.433 1.00 0.00 O ATOM 158 CG2 THR A 11 4.103 33.874 6.326 1.00 0.00 C ATOM 0 H THR A 11 0.325 33.893 8.189 1.00 0.00 H new ATOM 0 HA THR A 11 2.055 32.344 6.289 1.00 0.00 H new ATOM 0 HB THR A 11 3.083 34.524 8.112 1.00 0.00 H new ATOM 0 HG1 THR A 11 2.663 36.023 6.376 1.00 0.00 H new ATOM 0 HG21 THR A 11 4.722 34.769 6.263 1.00 0.00 H new ATOM 0 HG22 THR A 11 4.655 33.086 6.838 1.00 0.00 H new ATOM 0 HG23 THR A 11 3.843 33.541 5.321 1.00 0.00 H new ATOM 166 N ARG A 12 3.638 31.736 8.421 1.00 0.00 N ATOM 167 CA ARG A 12 4.159 30.908 9.544 1.00 0.00 C ATOM 168 C ARG A 12 5.659 31.169 9.736 1.00 0.00 C ATOM 169 O ARG A 12 6.408 31.266 8.784 1.00 0.00 O ATOM 170 CB ARG A 12 3.938 29.428 9.219 1.00 0.00 C ATOM 171 CG ARG A 12 4.170 29.181 7.725 1.00 0.00 C ATOM 172 CD ARG A 12 5.672 29.158 7.437 1.00 0.00 C ATOM 173 NE ARG A 12 6.030 30.319 6.575 1.00 0.00 N ATOM 174 CZ ARG A 12 7.280 30.674 6.438 1.00 0.00 C ATOM 175 NH1 ARG A 12 8.222 30.013 7.055 1.00 0.00 N ATOM 176 NH2 ARG A 12 7.588 31.693 5.682 1.00 0.00 N ATOM 0 H ARG A 12 4.326 31.978 7.708 1.00 0.00 H new ATOM 0 HA ARG A 12 3.632 31.170 10.461 1.00 0.00 H new ATOM 0 HB2 ARG A 12 4.618 28.812 9.808 1.00 0.00 H new ATOM 0 HB3 ARG A 12 2.924 29.134 9.492 1.00 0.00 H new ATOM 0 HG2 ARG A 12 3.718 28.235 7.428 1.00 0.00 H new ATOM 0 HG3 ARG A 12 3.689 29.963 7.138 1.00 0.00 H new ATOM 0 HD2 ARG A 12 6.233 29.198 8.371 1.00 0.00 H new ATOM 0 HD3 ARG A 12 5.944 28.226 6.942 1.00 0.00 H new ATOM 0 HE ARG A 12 5.298 30.838 6.091 1.00 0.00 H new ATOM 0 HH11 ARG A 12 7.983 29.217 7.646 1.00 0.00 H new ATOM 0 HH12 ARG A 12 9.197 30.293 6.946 1.00 0.00 H new ATOM 0 HH21 ARG A 12 6.853 32.211 5.200 1.00 0.00 H new ATOM 0 HH22 ARG A 12 8.563 31.972 5.574 1.00 0.00 H new ATOM 190 N ARG A 13 6.105 31.271 10.963 1.00 0.00 N ATOM 191 CA ARG A 13 7.560 31.510 11.214 1.00 0.00 C ATOM 192 C ARG A 13 8.266 30.165 11.357 1.00 0.00 C ATOM 193 O ARG A 13 7.649 29.120 11.306 1.00 0.00 O ATOM 194 CB ARG A 13 7.753 32.317 12.503 1.00 0.00 C ATOM 195 CG ARG A 13 6.737 31.862 13.554 1.00 0.00 C ATOM 196 CD ARG A 13 5.507 32.769 13.502 1.00 0.00 C ATOM 197 NE ARG A 13 5.815 34.064 14.172 1.00 0.00 N ATOM 198 CZ ARG A 13 5.033 35.096 13.996 1.00 0.00 C ATOM 199 NH1 ARG A 13 3.977 34.999 13.234 1.00 0.00 N ATOM 200 NH2 ARG A 13 5.308 36.228 14.585 1.00 0.00 N ATOM 0 H ARG A 13 5.526 31.199 11.800 1.00 0.00 H new ATOM 0 HA ARG A 13 7.979 32.071 10.378 1.00 0.00 H new ATOM 0 HB2 ARG A 13 8.767 32.181 12.880 1.00 0.00 H new ATOM 0 HB3 ARG A 13 7.629 33.381 12.300 1.00 0.00 H new ATOM 0 HG2 ARG A 13 6.447 30.827 13.371 1.00 0.00 H new ATOM 0 HG3 ARG A 13 7.185 31.896 14.547 1.00 0.00 H new ATOM 0 HD2 ARG A 13 5.214 32.944 12.467 1.00 0.00 H new ATOM 0 HD3 ARG A 13 4.664 32.284 13.994 1.00 0.00 H new ATOM 0 HE ARG A 13 6.638 34.145 14.769 1.00 0.00 H new ATOM 0 HH11 ARG A 13 3.760 34.115 12.773 1.00 0.00 H new ATOM 0 HH12 ARG A 13 3.369 35.807 13.099 1.00 0.00 H new ATOM 0 HH21 ARG A 13 6.132 36.306 15.181 1.00 0.00 H new ATOM 0 HH22 ARG A 13 4.699 37.035 14.449 1.00 0.00 H new ATOM 214 N GLN A 14 9.556 30.179 11.534 1.00 0.00 N ATOM 215 CA GLN A 14 10.292 28.893 11.676 1.00 0.00 C ATOM 216 C GLN A 14 11.383 29.018 12.745 1.00 0.00 C ATOM 217 O GLN A 14 12.204 29.912 12.709 1.00 0.00 O ATOM 218 CB GLN A 14 10.933 28.524 10.337 1.00 0.00 C ATOM 219 CG GLN A 14 11.672 29.739 9.773 1.00 0.00 C ATOM 220 CD GLN A 14 12.677 29.280 8.715 1.00 0.00 C ATOM 221 OE1 GLN A 14 12.729 29.827 7.631 1.00 0.00 O ATOM 222 NE2 GLN A 14 13.485 28.292 8.986 1.00 0.00 N ATOM 0 H GLN A 14 10.131 31.020 11.586 1.00 0.00 H new ATOM 0 HA GLN A 14 9.590 28.116 11.977 1.00 0.00 H new ATOM 0 HB2 GLN A 14 11.626 27.693 10.470 1.00 0.00 H new ATOM 0 HB3 GLN A 14 10.168 28.192 9.635 1.00 0.00 H new ATOM 0 HG2 GLN A 14 10.961 30.439 9.335 1.00 0.00 H new ATOM 0 HG3 GLN A 14 12.188 30.268 10.574 1.00 0.00 H new ATOM 0 HE21 GLN A 14 13.442 27.833 9.896 1.00 0.00 H new ATOM 0 HE22 GLN A 14 14.160 27.979 8.288 1.00 0.00 H new ATOM 231 N LEU A 15 11.404 28.113 13.689 1.00 0.00 N ATOM 232 CA LEU A 15 12.444 28.156 14.754 1.00 0.00 C ATOM 233 C LEU A 15 12.920 26.740 15.047 1.00 0.00 C ATOM 234 O LEU A 15 12.530 25.790 14.397 1.00 0.00 O ATOM 235 CB LEU A 15 11.869 28.768 16.032 1.00 0.00 C ATOM 236 CG LEU A 15 10.492 28.178 16.317 1.00 0.00 C ATOM 237 CD1 LEU A 15 10.448 27.671 17.760 1.00 0.00 C ATOM 238 CD2 LEU A 15 9.428 29.260 16.127 1.00 0.00 C ATOM 0 H LEU A 15 10.740 27.342 13.766 1.00 0.00 H new ATOM 0 HA LEU A 15 13.278 28.768 14.411 1.00 0.00 H new ATOM 0 HB2 LEU A 15 12.538 28.575 16.871 1.00 0.00 H new ATOM 0 HB3 LEU A 15 11.795 29.850 15.926 1.00 0.00 H new ATOM 0 HG LEU A 15 10.299 27.352 15.633 1.00 0.00 H new ATOM 0 HD11 LEU A 15 9.465 27.248 17.967 1.00 0.00 H new ATOM 0 HD12 LEU A 15 11.210 26.904 17.899 1.00 0.00 H new ATOM 0 HD13 LEU A 15 10.638 28.499 18.443 1.00 0.00 H new ATOM 0 HD21 LEU A 15 8.443 28.841 16.330 1.00 0.00 H new ATOM 0 HD22 LEU A 15 9.620 30.084 16.814 1.00 0.00 H new ATOM 0 HD23 LEU A 15 9.462 29.627 15.101 1.00 0.00 H new ATOM 250 N ASP A 16 13.764 26.598 16.019 1.00 0.00 N ATOM 251 CA ASP A 16 14.284 25.243 16.365 1.00 0.00 C ATOM 252 C ASP A 16 13.942 24.908 17.820 1.00 0.00 C ATOM 253 O ASP A 16 14.756 25.063 18.709 1.00 0.00 O ATOM 254 CB ASP A 16 15.803 25.221 16.183 1.00 0.00 C ATOM 255 CG ASP A 16 16.177 24.165 15.141 1.00 0.00 C ATOM 256 OD1 ASP A 16 15.946 24.410 13.969 1.00 0.00 O ATOM 257 OD2 ASP A 16 16.687 23.129 15.534 1.00 0.00 O ATOM 0 H ASP A 16 14.122 27.360 16.595 1.00 0.00 H new ATOM 0 HA ASP A 16 13.823 24.504 15.709 1.00 0.00 H new ATOM 0 HB2 ASP A 16 16.156 26.202 15.865 1.00 0.00 H new ATOM 0 HB3 ASP A 16 16.290 24.999 17.132 1.00 0.00 H new ATOM 262 N VAL A 17 12.748 24.439 18.072 1.00 0.00 N ATOM 263 CA VAL A 17 12.369 24.085 19.471 1.00 0.00 C ATOM 264 C VAL A 17 13.323 23.006 19.988 1.00 0.00 C ATOM 265 O VAL A 17 13.317 21.884 19.522 1.00 0.00 O ATOM 266 CB VAL A 17 10.933 23.559 19.495 1.00 0.00 C ATOM 267 CG1 VAL A 17 10.649 22.908 20.850 1.00 0.00 C ATOM 268 CG2 VAL A 17 9.964 24.723 19.278 1.00 0.00 C ATOM 0 H VAL A 17 12.022 24.286 17.372 1.00 0.00 H new ATOM 0 HA VAL A 17 12.436 24.968 20.106 1.00 0.00 H new ATOM 0 HB VAL A 17 10.803 22.821 18.704 1.00 0.00 H new ATOM 0 HG11 VAL A 17 9.626 22.533 20.866 1.00 0.00 H new ATOM 0 HG12 VAL A 17 11.341 22.081 21.008 1.00 0.00 H new ATOM 0 HG13 VAL A 17 10.778 23.645 21.642 1.00 0.00 H new ATOM 0 HG21 VAL A 17 8.939 24.351 19.295 1.00 0.00 H new ATOM 0 HG22 VAL A 17 10.096 25.459 20.071 1.00 0.00 H new ATOM 0 HG23 VAL A 17 10.165 25.189 18.313 1.00 0.00 H new ATOM 278 N ALA A 18 14.149 23.340 20.941 1.00 0.00 N ATOM 279 CA ALA A 18 15.113 22.339 21.483 1.00 0.00 C ATOM 280 C ALA A 18 14.409 20.995 21.689 1.00 0.00 C ATOM 281 O ALA A 18 13.199 20.899 21.628 1.00 0.00 O ATOM 282 CB ALA A 18 15.661 22.834 22.823 1.00 0.00 C ATOM 0 H ALA A 18 14.199 24.265 21.369 1.00 0.00 H new ATOM 0 HA ALA A 18 15.932 22.211 20.775 1.00 0.00 H new ATOM 0 HB1 ALA A 18 16.366 22.103 23.220 1.00 0.00 H new ATOM 0 HB2 ALA A 18 16.170 23.787 22.678 1.00 0.00 H new ATOM 0 HB3 ALA A 18 14.839 22.965 23.526 1.00 0.00 H new ATOM 288 N ASP A 19 15.161 19.957 21.940 1.00 0.00 N ATOM 289 CA ASP A 19 14.547 18.625 22.157 1.00 0.00 C ATOM 290 C ASP A 19 14.119 18.508 23.614 1.00 0.00 C ATOM 291 O ASP A 19 14.893 18.721 24.526 1.00 0.00 O ATOM 292 CB ASP A 19 15.562 17.529 21.837 1.00 0.00 C ATOM 293 CG ASP A 19 15.762 17.442 20.323 1.00 0.00 C ATOM 294 OD1 ASP A 19 14.769 17.421 19.614 1.00 0.00 O ATOM 295 OD2 ASP A 19 16.904 17.399 19.897 1.00 0.00 O ATOM 0 H ASP A 19 16.179 19.979 22.003 1.00 0.00 H new ATOM 0 HA ASP A 19 13.681 18.512 21.505 1.00 0.00 H new ATOM 0 HB2 ASP A 19 16.511 17.744 22.328 1.00 0.00 H new ATOM 0 HB3 ASP A 19 15.213 16.572 22.224 1.00 0.00 H new ATOM 300 N GLY A 20 12.887 18.178 23.832 1.00 0.00 N ATOM 301 CA GLY A 20 12.377 18.048 25.226 1.00 0.00 C ATOM 302 C GLY A 20 11.647 19.334 25.612 1.00 0.00 C ATOM 303 O GLY A 20 11.380 19.587 26.770 1.00 0.00 O ATOM 0 H GLY A 20 12.200 17.990 23.102 1.00 0.00 H new ATOM 0 HA2 GLY A 20 11.702 17.195 25.302 1.00 0.00 H new ATOM 0 HA3 GLY A 20 13.203 17.863 25.913 1.00 0.00 H new ATOM 307 N VAL A 21 11.321 20.149 24.646 1.00 0.00 N ATOM 308 CA VAL A 21 10.607 21.420 24.946 1.00 0.00 C ATOM 309 C VAL A 21 9.219 21.376 24.312 1.00 0.00 C ATOM 310 O VAL A 21 8.915 20.504 23.525 1.00 0.00 O ATOM 311 CB VAL A 21 11.394 22.596 24.360 1.00 0.00 C ATOM 312 CG1 VAL A 21 10.895 23.906 24.971 1.00 0.00 C ATOM 313 CG2 VAL A 21 12.881 22.421 24.675 1.00 0.00 C ATOM 0 H VAL A 21 11.520 19.987 23.659 1.00 0.00 H new ATOM 0 HA VAL A 21 10.516 21.544 26.025 1.00 0.00 H new ATOM 0 HB VAL A 21 11.250 22.624 23.280 1.00 0.00 H new ATOM 0 HG11 VAL A 21 11.457 24.740 24.552 1.00 0.00 H new ATOM 0 HG12 VAL A 21 9.836 24.032 24.746 1.00 0.00 H new ATOM 0 HG13 VAL A 21 11.036 23.880 26.052 1.00 0.00 H new ATOM 0 HG21 VAL A 21 13.442 23.257 24.258 1.00 0.00 H new ATOM 0 HG22 VAL A 21 13.023 22.391 25.755 1.00 0.00 H new ATOM 0 HG23 VAL A 21 13.239 21.490 24.236 1.00 0.00 H new ATOM 323 N SER A 22 8.376 22.312 24.639 1.00 0.00 N ATOM 324 CA SER A 22 7.012 22.325 24.043 1.00 0.00 C ATOM 325 C SER A 22 6.936 23.456 23.019 1.00 0.00 C ATOM 326 O SER A 22 7.394 24.555 23.263 1.00 0.00 O ATOM 327 CB SER A 22 5.975 22.558 25.142 1.00 0.00 C ATOM 328 OG SER A 22 4.797 21.822 24.839 1.00 0.00 O ATOM 0 H SER A 22 8.572 23.069 25.293 1.00 0.00 H new ATOM 0 HA SER A 22 6.809 21.370 23.558 1.00 0.00 H new ATOM 0 HB2 SER A 22 6.374 22.246 26.107 1.00 0.00 H new ATOM 0 HB3 SER A 22 5.744 23.620 25.221 1.00 0.00 H new ATOM 0 HG SER A 22 4.731 21.695 23.869 1.00 0.00 H new ATOM 334 N LEU A 23 6.366 23.202 21.874 1.00 0.00 N ATOM 335 CA LEU A 23 6.268 24.272 20.842 1.00 0.00 C ATOM 336 C LEU A 23 5.825 25.574 21.513 1.00 0.00 C ATOM 337 O LEU A 23 6.126 26.656 21.049 1.00 0.00 O ATOM 338 CB LEU A 23 5.249 23.856 19.774 1.00 0.00 C ATOM 339 CG LEU A 23 5.968 23.360 18.506 1.00 0.00 C ATOM 340 CD1 LEU A 23 6.268 24.548 17.593 1.00 0.00 C ATOM 341 CD2 LEU A 23 7.286 22.660 18.871 1.00 0.00 C ATOM 0 H LEU A 23 5.965 22.303 21.609 1.00 0.00 H new ATOM 0 HA LEU A 23 7.237 24.423 20.367 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.605 23.069 20.165 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.606 24.701 19.528 1.00 0.00 H new ATOM 0 HG LEU A 23 5.320 22.649 17.994 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.777 24.197 16.695 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.335 25.037 17.314 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.907 25.258 18.118 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.779 22.317 17.962 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.937 23.360 19.395 1.00 0.00 H new ATOM 0 HD23 LEU A 23 7.078 21.806 19.516 1.00 0.00 H new ATOM 353 N MET A 24 5.128 25.478 22.613 1.00 0.00 N ATOM 354 CA MET A 24 4.687 26.710 23.322 1.00 0.00 C ATOM 355 C MET A 24 5.900 27.344 24.007 1.00 0.00 C ATOM 356 O MET A 24 6.150 28.526 23.881 1.00 0.00 O ATOM 357 CB MET A 24 3.636 26.349 24.373 1.00 0.00 C ATOM 358 CG MET A 24 3.161 27.620 25.079 1.00 0.00 C ATOM 359 SD MET A 24 3.519 27.498 26.849 1.00 0.00 S ATOM 360 CE MET A 24 4.421 29.059 27.006 1.00 0.00 C ATOM 0 H MET A 24 4.846 24.600 23.050 1.00 0.00 H new ATOM 0 HA MET A 24 4.253 27.412 22.610 1.00 0.00 H new ATOM 0 HB2 MET A 24 2.792 25.846 23.901 1.00 0.00 H new ATOM 0 HB3 MET A 24 4.057 25.653 25.099 1.00 0.00 H new ATOM 0 HG2 MET A 24 3.660 28.492 24.656 1.00 0.00 H new ATOM 0 HG3 MET A 24 2.091 27.757 24.922 1.00 0.00 H new ATOM 0 HE1 MET A 24 5.374 28.880 27.503 1.00 0.00 H new ATOM 0 HE2 MET A 24 4.601 29.476 26.015 1.00 0.00 H new ATOM 0 HE3 MET A 24 3.831 29.762 27.594 1.00 0.00 H new ATOM 370 N GLN A 25 6.663 26.561 24.724 1.00 0.00 N ATOM 371 CA GLN A 25 7.866 27.113 25.408 1.00 0.00 C ATOM 372 C GLN A 25 8.729 27.850 24.383 1.00 0.00 C ATOM 373 O GLN A 25 9.032 29.016 24.536 1.00 0.00 O ATOM 374 CB GLN A 25 8.672 25.970 26.029 1.00 0.00 C ATOM 375 CG GLN A 25 9.017 26.316 27.479 1.00 0.00 C ATOM 376 CD GLN A 25 7.777 26.135 28.356 1.00 0.00 C ATOM 377 OE1 GLN A 25 6.783 25.590 27.918 1.00 0.00 O ATOM 378 NE2 GLN A 25 7.793 26.571 29.586 1.00 0.00 N ATOM 0 H GLN A 25 6.504 25.563 24.865 1.00 0.00 H new ATOM 0 HA GLN A 25 7.558 27.803 26.194 1.00 0.00 H new ATOM 0 HB2 GLN A 25 8.098 25.044 25.992 1.00 0.00 H new ATOM 0 HB3 GLN A 25 9.585 25.802 25.457 1.00 0.00 H new ATOM 0 HG2 GLN A 25 9.824 25.675 27.835 1.00 0.00 H new ATOM 0 HG3 GLN A 25 9.374 27.344 27.544 1.00 0.00 H new ATOM 0 HE21 GLN A 25 8.627 27.028 29.954 1.00 0.00 H new ATOM 0 HE22 GLN A 25 6.971 26.454 30.179 1.00 0.00 H new ATOM 387 N ALA A 26 9.121 27.180 23.332 1.00 0.00 N ATOM 388 CA ALA A 26 9.953 27.849 22.293 1.00 0.00 C ATOM 389 C ALA A 26 9.188 29.054 21.746 1.00 0.00 C ATOM 390 O ALA A 26 9.770 30.015 21.286 1.00 0.00 O ATOM 391 CB ALA A 26 10.237 26.864 21.157 1.00 0.00 C ATOM 0 H ALA A 26 8.901 26.201 23.149 1.00 0.00 H new ATOM 0 HA ALA A 26 10.897 28.178 22.728 1.00 0.00 H new ATOM 0 HB1 ALA A 26 10.846 27.352 20.396 1.00 0.00 H new ATOM 0 HB2 ALA A 26 10.772 26.000 21.550 1.00 0.00 H new ATOM 0 HB3 ALA A 26 9.296 26.538 20.715 1.00 0.00 H new ATOM 397 N ALA A 27 7.886 29.009 21.799 1.00 0.00 N ATOM 398 CA ALA A 27 7.077 30.151 21.289 1.00 0.00 C ATOM 399 C ALA A 27 7.249 31.348 22.226 1.00 0.00 C ATOM 400 O ALA A 27 7.216 32.485 21.806 1.00 0.00 O ATOM 401 CB ALA A 27 5.603 29.745 21.241 1.00 0.00 C ATOM 0 H ALA A 27 7.346 28.229 22.174 1.00 0.00 H new ATOM 0 HA ALA A 27 7.411 30.422 20.287 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.008 30.579 20.868 1.00 0.00 H new ATOM 0 HB2 ALA A 27 5.483 28.888 20.578 1.00 0.00 H new ATOM 0 HB3 ALA A 27 5.266 29.478 22.243 1.00 0.00 H new ATOM 407 N VAL A 28 7.433 31.102 23.494 1.00 0.00 N ATOM 408 CA VAL A 28 7.609 32.230 24.453 1.00 0.00 C ATOM 409 C VAL A 28 8.725 33.152 23.957 1.00 0.00 C ATOM 410 O VAL A 28 8.669 34.355 24.117 1.00 0.00 O ATOM 411 CB VAL A 28 7.981 31.674 25.829 1.00 0.00 C ATOM 412 CG1 VAL A 28 8.156 32.829 26.817 1.00 0.00 C ATOM 413 CG2 VAL A 28 6.866 30.748 26.322 1.00 0.00 C ATOM 0 H VAL A 28 7.469 30.170 23.907 1.00 0.00 H new ATOM 0 HA VAL A 28 6.679 32.793 24.527 1.00 0.00 H new ATOM 0 HB VAL A 28 8.914 31.115 25.755 1.00 0.00 H new ATOM 0 HG11 VAL A 28 8.421 32.432 27.797 1.00 0.00 H new ATOM 0 HG12 VAL A 28 8.948 33.490 26.467 1.00 0.00 H new ATOM 0 HG13 VAL A 28 7.223 33.388 26.892 1.00 0.00 H new ATOM 0 HG21 VAL A 28 7.130 30.351 27.302 1.00 0.00 H new ATOM 0 HG22 VAL A 28 5.934 31.308 26.396 1.00 0.00 H new ATOM 0 HG23 VAL A 28 6.740 29.925 25.619 1.00 0.00 H new ATOM 423 N SER A 29 9.740 32.595 23.355 1.00 0.00 N ATOM 424 CA SER A 29 10.863 33.432 22.846 1.00 0.00 C ATOM 425 C SER A 29 10.555 33.885 21.420 1.00 0.00 C ATOM 426 O SER A 29 10.611 35.056 21.101 1.00 0.00 O ATOM 427 CB SER A 29 12.139 32.600 22.828 1.00 0.00 C ATOM 428 OG SER A 29 13.265 33.461 22.939 1.00 0.00 O ATOM 0 H SER A 29 9.840 31.593 23.193 1.00 0.00 H new ATOM 0 HA SER A 29 10.989 34.301 23.492 1.00 0.00 H new ATOM 0 HB2 SER A 29 12.132 31.885 23.650 1.00 0.00 H new ATOM 0 HB3 SER A 29 12.198 32.024 21.905 1.00 0.00 H new ATOM 0 HG SER A 29 14.087 32.927 22.929 1.00 0.00 H new ATOM 434 N ASN A 30 10.228 32.959 20.559 1.00 0.00 N ATOM 435 CA ASN A 30 9.913 33.322 19.149 1.00 0.00 C ATOM 436 C ASN A 30 8.820 34.392 19.125 1.00 0.00 C ATOM 437 O ASN A 30 8.603 35.051 18.127 1.00 0.00 O ATOM 438 CB ASN A 30 9.423 32.077 18.405 1.00 0.00 C ATOM 439 CG ASN A 30 10.624 31.301 17.862 1.00 0.00 C ATOM 440 OD1 ASN A 30 11.145 31.621 16.812 1.00 0.00 O ATOM 441 ND2 ASN A 30 11.090 30.287 18.540 1.00 0.00 N ATOM 0 H ASN A 30 10.166 31.964 20.773 1.00 0.00 H new ATOM 0 HA ASN A 30 10.809 33.711 18.665 1.00 0.00 H new ATOM 0 HB2 ASN A 30 8.841 31.445 19.076 1.00 0.00 H new ATOM 0 HB3 ASN A 30 8.763 32.366 17.587 1.00 0.00 H new ATOM 0 HD21 ASN A 30 11.892 29.763 18.188 1.00 0.00 H new ATOM 0 HD22 ASN A 30 10.652 30.019 19.421 1.00 0.00 H new ATOM 448 N GLY A 31 8.130 34.572 20.218 1.00 0.00 N ATOM 449 CA GLY A 31 7.051 35.601 20.260 1.00 0.00 C ATOM 450 C GLY A 31 5.751 35.009 19.713 1.00 0.00 C ATOM 451 O GLY A 31 4.844 35.722 19.333 1.00 0.00 O ATOM 0 H GLY A 31 8.266 34.051 21.084 1.00 0.00 H new ATOM 0 HA2 GLY A 31 6.903 35.945 21.284 1.00 0.00 H new ATOM 0 HA3 GLY A 31 7.342 36.471 19.671 1.00 0.00 H new ATOM 455 N ILE A 32 5.650 33.709 19.677 1.00 0.00 N ATOM 456 CA ILE A 32 4.403 33.071 19.163 1.00 0.00 C ATOM 457 C ILE A 32 3.552 32.654 20.348 1.00 0.00 C ATOM 458 O ILE A 32 2.340 32.596 20.278 1.00 0.00 O ATOM 459 CB ILE A 32 4.749 31.843 18.319 1.00 0.00 C ATOM 460 CG1 ILE A 32 6.153 32.010 17.745 1.00 0.00 C ATOM 461 CG2 ILE A 32 3.743 31.708 17.175 1.00 0.00 C ATOM 462 CD1 ILE A 32 6.500 30.802 16.877 1.00 0.00 C ATOM 0 H ILE A 32 6.376 33.060 19.981 1.00 0.00 H new ATOM 0 HA ILE A 32 3.858 33.779 18.538 1.00 0.00 H new ATOM 0 HB ILE A 32 4.710 30.948 18.941 1.00 0.00 H new ATOM 0 HG12 ILE A 32 6.208 32.924 17.153 1.00 0.00 H new ATOM 0 HG13 ILE A 32 6.878 32.110 18.553 1.00 0.00 H new ATOM 0 HG21 ILE A 32 3.990 30.833 16.574 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.739 31.595 17.585 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.781 32.600 16.550 1.00 0.00 H new ATOM 0 HD11 ILE A 32 7.503 30.924 16.468 1.00 0.00 H new ATOM 0 HD12 ILE A 32 6.462 29.896 17.482 1.00 0.00 H new ATOM 0 HD13 ILE A 32 5.783 30.723 16.060 1.00 0.00 H new ATOM 474 N TYR A 33 4.184 32.384 21.447 1.00 0.00 N ATOM 475 CA TYR A 33 3.424 31.995 22.662 1.00 0.00 C ATOM 476 C TYR A 33 2.291 33.004 22.830 1.00 0.00 C ATOM 477 O TYR A 33 1.153 32.657 23.075 1.00 0.00 O ATOM 478 CB TYR A 33 4.368 32.011 23.881 1.00 0.00 C ATOM 479 CG TYR A 33 4.264 33.321 24.638 1.00 0.00 C ATOM 480 CD1 TYR A 33 5.040 34.419 24.247 1.00 0.00 C ATOM 481 CD2 TYR A 33 3.393 33.432 25.728 1.00 0.00 C ATOM 482 CE1 TYR A 33 4.944 35.628 24.947 1.00 0.00 C ATOM 483 CE2 TYR A 33 3.297 34.641 26.427 1.00 0.00 C ATOM 484 CZ TYR A 33 4.073 35.739 26.037 1.00 0.00 C ATOM 485 OH TYR A 33 3.978 36.931 26.726 1.00 0.00 O ATOM 0 H TYR A 33 5.197 32.415 21.559 1.00 0.00 H new ATOM 0 HA TYR A 33 3.013 30.989 22.573 1.00 0.00 H new ATOM 0 HB2 TYR A 33 4.122 31.183 24.546 1.00 0.00 H new ATOM 0 HB3 TYR A 33 5.396 31.859 23.551 1.00 0.00 H new ATOM 0 HD1 TYR A 33 5.712 34.333 23.406 1.00 0.00 H new ATOM 0 HD2 TYR A 33 2.795 32.585 26.030 1.00 0.00 H new ATOM 0 HE1 TYR A 33 5.542 36.475 24.646 1.00 0.00 H new ATOM 0 HE2 TYR A 33 2.624 34.727 27.267 1.00 0.00 H new ATOM 0 HH TYR A 33 3.327 36.838 27.453 1.00 0.00 H new ATOM 495 N ASP A 34 2.610 34.258 22.672 1.00 0.00 N ATOM 496 CA ASP A 34 1.573 35.313 22.789 1.00 0.00 C ATOM 497 C ASP A 34 0.707 35.281 21.531 1.00 0.00 C ATOM 498 O ASP A 34 -0.471 35.578 21.568 1.00 0.00 O ATOM 499 CB ASP A 34 2.244 36.682 22.919 1.00 0.00 C ATOM 500 CG ASP A 34 3.375 36.795 21.895 1.00 0.00 C ATOM 501 OD1 ASP A 34 3.077 37.029 20.736 1.00 0.00 O ATOM 502 OD2 ASP A 34 4.520 36.646 22.288 1.00 0.00 O ATOM 0 H ASP A 34 3.550 34.596 22.466 1.00 0.00 H new ATOM 0 HA ASP A 34 0.957 35.137 23.671 1.00 0.00 H new ATOM 0 HB2 ASP A 34 1.513 37.474 22.758 1.00 0.00 H new ATOM 0 HB3 ASP A 34 2.638 36.812 23.927 1.00 0.00 H new ATOM 507 N ILE A 35 1.280 34.914 20.412 1.00 0.00 N ATOM 508 CA ILE A 35 0.480 34.855 19.158 1.00 0.00 C ATOM 509 C ILE A 35 -0.653 33.841 19.334 1.00 0.00 C ATOM 510 O ILE A 35 -1.638 33.865 18.623 1.00 0.00 O ATOM 511 CB ILE A 35 1.378 34.423 17.997 1.00 0.00 C ATOM 512 CG1 ILE A 35 2.326 35.569 17.634 1.00 0.00 C ATOM 513 CG2 ILE A 35 0.514 34.074 16.785 1.00 0.00 C ATOM 514 CD1 ILE A 35 3.271 35.115 16.520 1.00 0.00 C ATOM 0 H ILE A 35 2.262 34.655 20.316 1.00 0.00 H new ATOM 0 HA ILE A 35 0.063 35.839 18.942 1.00 0.00 H new ATOM 0 HB ILE A 35 1.958 33.549 18.292 1.00 0.00 H new ATOM 0 HG12 ILE A 35 1.755 36.439 17.309 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.899 35.873 18.510 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.154 33.766 15.958 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -0.162 33.259 17.043 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.067 34.947 16.489 1.00 0.00 H new ATOM 0 HD11 ILE A 35 3.946 35.930 16.261 1.00 0.00 H new ATOM 0 HD12 ILE A 35 3.851 34.258 16.862 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.690 34.833 15.642 1.00 0.00 H new ATOM 526 N VAL A 36 -0.518 32.949 20.278 1.00 0.00 N ATOM 527 CA VAL A 36 -1.583 31.932 20.506 1.00 0.00 C ATOM 528 C VAL A 36 -1.299 31.177 21.807 1.00 0.00 C ATOM 529 O VAL A 36 -0.344 30.432 21.907 1.00 0.00 O ATOM 530 CB VAL A 36 -1.603 30.944 19.338 1.00 0.00 C ATOM 531 CG1 VAL A 36 -0.182 30.451 19.061 1.00 0.00 C ATOM 532 CG2 VAL A 36 -2.495 29.752 19.694 1.00 0.00 C ATOM 0 H VAL A 36 0.286 32.881 20.902 1.00 0.00 H new ATOM 0 HA VAL A 36 -2.550 32.430 20.579 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.995 31.440 18.450 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.197 29.747 18.229 1.00 0.00 H new ATOM 0 HG12 VAL A 36 0.454 31.299 18.808 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.211 29.955 19.949 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.510 29.048 18.862 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -2.103 29.257 20.582 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -3.508 30.102 19.891 1.00 0.00 H new ATOM 542 N GLY A 37 -2.119 31.363 22.806 1.00 0.00 N ATOM 543 CA GLY A 37 -1.893 30.655 24.099 1.00 0.00 C ATOM 544 C GLY A 37 -2.958 31.085 25.111 1.00 0.00 C ATOM 545 O GLY A 37 -3.787 31.929 24.831 1.00 0.00 O ATOM 0 H GLY A 37 -2.935 31.974 22.783 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.935 29.576 23.947 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.899 30.884 24.482 1.00 0.00 H new ATOM 549 N ASP A 38 -2.945 30.513 26.285 1.00 0.00 N ATOM 550 CA ASP A 38 -3.960 30.894 27.308 1.00 0.00 C ATOM 551 C ASP A 38 -3.502 30.427 28.692 1.00 0.00 C ATOM 552 O ASP A 38 -2.888 31.167 29.434 1.00 0.00 O ATOM 553 CB ASP A 38 -5.300 30.240 26.966 1.00 0.00 C ATOM 554 CG ASP A 38 -6.298 31.316 26.537 1.00 0.00 C ATOM 555 OD1 ASP A 38 -5.915 32.177 25.762 1.00 0.00 O ATOM 556 OD2 ASP A 38 -7.430 31.261 26.989 1.00 0.00 O ATOM 0 H ASP A 38 -2.277 29.800 26.579 1.00 0.00 H new ATOM 0 HA ASP A 38 -4.074 31.978 27.314 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -5.168 29.512 26.166 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -5.683 29.697 27.830 1.00 0.00 H new ATOM 561 N CYS A 39 -3.800 29.206 29.050 1.00 0.00 N ATOM 562 CA CYS A 39 -3.383 28.703 30.389 1.00 0.00 C ATOM 563 C CYS A 39 -1.935 28.208 30.326 1.00 0.00 C ATOM 564 O CYS A 39 -1.440 27.589 31.247 1.00 0.00 O ATOM 565 CB CYS A 39 -4.316 27.563 30.826 1.00 0.00 C ATOM 566 SG CYS A 39 -3.884 26.026 29.964 1.00 0.00 S ATOM 0 H CYS A 39 -4.313 28.538 28.474 1.00 0.00 H new ATOM 0 HA CYS A 39 -3.448 29.511 31.117 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -4.241 27.416 31.904 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -5.351 27.829 30.611 1.00 0.00 H new ATOM 571 N GLY A 40 -1.253 28.475 29.246 1.00 0.00 N ATOM 572 CA GLY A 40 0.161 28.020 29.125 1.00 0.00 C ATOM 573 C GLY A 40 0.243 26.523 29.428 1.00 0.00 C ATOM 574 O GLY A 40 0.119 25.695 28.547 1.00 0.00 O ATOM 0 H GLY A 40 -1.614 28.989 28.442 1.00 0.00 H new ATOM 0 HA2 GLY A 40 0.534 28.219 28.120 1.00 0.00 H new ATOM 0 HA3 GLY A 40 0.794 28.577 29.816 1.00 0.00 H new ATOM 578 N GLY A 41 0.449 26.169 30.666 1.00 0.00 N ATOM 579 CA GLY A 41 0.537 24.725 31.022 1.00 0.00 C ATOM 580 C GLY A 41 -0.716 24.001 30.526 1.00 0.00 C ATOM 581 O GLY A 41 -1.501 24.544 29.774 1.00 0.00 O ATOM 0 H GLY A 41 0.560 26.817 31.446 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.427 24.283 30.574 1.00 0.00 H new ATOM 0 HA3 GLY A 41 0.633 24.611 32.102 1.00 0.00 H new ATOM 585 N SER A 42 -0.909 22.779 30.938 1.00 0.00 N ATOM 586 CA SER A 42 -2.112 22.023 30.488 1.00 0.00 C ATOM 587 C SER A 42 -3.229 22.179 31.522 1.00 0.00 C ATOM 588 O SER A 42 -3.243 21.515 32.539 1.00 0.00 O ATOM 589 CB SER A 42 -1.758 20.543 30.340 1.00 0.00 C ATOM 590 OG SER A 42 -0.382 20.421 30.006 1.00 0.00 O ATOM 0 H SER A 42 -0.286 22.271 31.566 1.00 0.00 H new ATOM 0 HA SER A 42 -2.448 22.414 29.528 1.00 0.00 H new ATOM 0 HB2 SER A 42 -1.967 20.012 31.269 1.00 0.00 H new ATOM 0 HB3 SER A 42 -2.374 20.085 29.566 1.00 0.00 H new ATOM 0 HG SER A 42 -0.218 20.840 29.135 1.00 0.00 H new ATOM 596 N ALA A 43 -4.167 23.052 31.270 1.00 0.00 N ATOM 597 CA ALA A 43 -5.281 23.246 32.239 1.00 0.00 C ATOM 598 C ALA A 43 -6.610 22.886 31.567 1.00 0.00 C ATOM 599 O ALA A 43 -6.966 21.729 31.466 1.00 0.00 O ATOM 600 CB ALA A 43 -5.309 24.705 32.703 1.00 0.00 C ATOM 0 H ALA A 43 -4.209 23.638 30.436 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.130 22.600 33.104 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -6.125 24.846 33.412 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.363 24.952 33.185 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -5.459 25.358 31.843 1.00 0.00 H new ATOM 606 N SER A 44 -7.351 23.860 31.105 1.00 0.00 N ATOM 607 CA SER A 44 -8.650 23.549 30.445 1.00 0.00 C ATOM 608 C SER A 44 -9.094 24.732 29.582 1.00 0.00 C ATOM 609 O SER A 44 -10.258 25.078 29.545 1.00 0.00 O ATOM 610 CB SER A 44 -9.709 23.274 31.514 1.00 0.00 C ATOM 611 OG SER A 44 -10.995 23.268 30.909 1.00 0.00 O ATOM 0 H SER A 44 -7.113 24.851 31.156 1.00 0.00 H new ATOM 0 HA SER A 44 -8.529 22.670 29.812 1.00 0.00 H new ATOM 0 HB2 SER A 44 -9.516 22.315 31.995 1.00 0.00 H new ATOM 0 HB3 SER A 44 -9.664 24.036 32.292 1.00 0.00 H new ATOM 0 HG SER A 44 -11.183 24.152 30.531 1.00 0.00 H new ATOM 617 N CYS A 45 -8.184 25.356 28.882 1.00 0.00 N ATOM 618 CA CYS A 45 -8.578 26.510 28.026 1.00 0.00 C ATOM 619 C CYS A 45 -8.704 26.043 26.571 1.00 0.00 C ATOM 620 O CYS A 45 -8.028 25.129 26.143 1.00 0.00 O ATOM 621 CB CYS A 45 -7.531 27.634 28.152 1.00 0.00 C ATOM 622 SG CYS A 45 -6.161 27.385 26.987 1.00 0.00 S ATOM 0 H CYS A 45 -7.192 25.118 28.866 1.00 0.00 H new ATOM 0 HA CYS A 45 -9.541 26.901 28.353 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -8.003 28.598 27.962 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -7.145 27.663 29.171 1.00 0.00 H new ATOM 627 N ALA A 46 -9.565 26.661 25.810 1.00 0.00 N ATOM 628 CA ALA A 46 -9.730 26.248 24.389 1.00 0.00 C ATOM 629 C ALA A 46 -9.080 27.289 23.476 1.00 0.00 C ATOM 630 O ALA A 46 -9.430 27.420 22.320 1.00 0.00 O ATOM 631 CB ALA A 46 -11.221 26.141 24.060 1.00 0.00 C ATOM 0 H ALA A 46 -10.160 27.433 26.111 1.00 0.00 H new ATOM 0 HA ALA A 46 -9.252 25.281 24.234 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -11.343 25.839 23.020 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -11.685 25.399 24.710 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -11.698 27.109 24.215 1.00 0.00 H new ATOM 637 N THR A 47 -8.137 28.032 23.986 1.00 0.00 N ATOM 638 CA THR A 47 -7.468 29.064 23.147 1.00 0.00 C ATOM 639 C THR A 47 -6.248 28.455 22.453 1.00 0.00 C ATOM 640 O THR A 47 -5.761 28.975 21.468 1.00 0.00 O ATOM 641 CB THR A 47 -7.023 30.231 24.032 1.00 0.00 C ATOM 642 OG1 THR A 47 -8.113 30.652 24.839 1.00 0.00 O ATOM 643 CG2 THR A 47 -6.557 31.392 23.153 1.00 0.00 C ATOM 0 H THR A 47 -7.801 27.969 24.947 1.00 0.00 H new ATOM 0 HA THR A 47 -8.168 29.424 22.393 1.00 0.00 H new ATOM 0 HB THR A 47 -6.200 29.910 24.671 1.00 0.00 H new ATOM 0 HG1 THR A 47 -7.985 30.329 25.755 1.00 0.00 H new ATOM 0 HG21 THR A 47 -6.240 32.222 23.784 1.00 0.00 H new ATOM 0 HG22 THR A 47 -5.720 31.067 22.534 1.00 0.00 H new ATOM 0 HG23 THR A 47 -7.377 31.716 22.513 1.00 0.00 H new ATOM 651 N CYS A 48 -5.745 27.360 22.956 1.00 0.00 N ATOM 652 CA CYS A 48 -4.556 26.732 22.315 1.00 0.00 C ATOM 653 C CYS A 48 -4.998 25.706 21.265 1.00 0.00 C ATOM 654 O CYS A 48 -4.440 24.636 21.157 1.00 0.00 O ATOM 655 CB CYS A 48 -3.650 26.094 23.373 1.00 0.00 C ATOM 656 SG CYS A 48 -4.440 24.652 24.125 1.00 0.00 S ATOM 0 H CYS A 48 -6.104 26.876 23.779 1.00 0.00 H new ATOM 0 HA CYS A 48 -3.979 27.505 21.807 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -2.706 25.798 22.916 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -3.415 26.827 24.145 1.00 0.00 H new ATOM 661 N HIS A 49 -5.991 26.049 20.480 1.00 0.00 N ATOM 662 CA HIS A 49 -6.477 25.133 19.398 1.00 0.00 C ATOM 663 C HIS A 49 -5.472 25.199 18.247 1.00 0.00 C ATOM 664 O HIS A 49 -5.752 25.759 17.207 1.00 0.00 O ATOM 665 CB HIS A 49 -7.842 25.644 18.902 1.00 0.00 C ATOM 666 CG HIS A 49 -8.399 24.751 17.833 1.00 0.00 C ATOM 667 ND1 HIS A 49 -9.511 23.962 18.048 1.00 0.00 N ATOM 668 CD2 HIS A 49 -8.042 24.541 16.522 1.00 0.00 C ATOM 669 CE1 HIS A 49 -9.777 23.323 16.903 1.00 0.00 C ATOM 670 NE2 HIS A 49 -8.913 23.635 15.942 1.00 0.00 N ATOM 0 H HIS A 49 -6.492 26.935 20.543 1.00 0.00 H new ATOM 0 HA HIS A 49 -6.575 24.111 19.764 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -8.540 25.695 19.738 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -7.735 26.657 18.514 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -7.209 25.011 16.021 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -10.598 22.634 16.774 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -8.896 23.283 14.985 1.00 0.00 H new ATOM 678 N VAL A 50 -4.296 24.671 18.407 1.00 0.00 N ATOM 679 CA VAL A 50 -3.330 24.784 17.296 1.00 0.00 C ATOM 680 C VAL A 50 -3.664 23.778 16.227 1.00 0.00 C ATOM 681 O VAL A 50 -4.091 22.671 16.488 1.00 0.00 O ATOM 682 CB VAL A 50 -1.906 24.543 17.768 1.00 0.00 C ATOM 683 CG1 VAL A 50 -1.602 25.433 18.974 1.00 0.00 C ATOM 684 CG2 VAL A 50 -1.733 23.074 18.153 1.00 0.00 C ATOM 0 H VAL A 50 -3.970 24.178 19.239 1.00 0.00 H new ATOM 0 HA VAL A 50 -3.399 25.797 16.900 1.00 0.00 H new ATOM 0 HB VAL A 50 -1.215 24.787 16.961 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.580 25.256 19.308 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.715 26.480 18.692 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.294 25.198 19.783 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.711 22.904 18.491 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.427 22.824 18.956 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -1.938 22.444 17.287 1.00 0.00 H new ATOM 694 N TYR A 51 -3.458 24.166 15.023 1.00 0.00 N ATOM 695 CA TYR A 51 -3.739 23.262 13.895 1.00 0.00 C ATOM 696 C TYR A 51 -2.407 22.838 13.287 1.00 0.00 C ATOM 697 O TYR A 51 -1.769 23.562 12.552 1.00 0.00 O ATOM 698 CB TYR A 51 -4.593 24.013 12.897 1.00 0.00 C ATOM 699 CG TYR A 51 -6.029 23.550 13.008 1.00 0.00 C ATOM 700 CD1 TYR A 51 -6.329 22.210 12.768 1.00 0.00 C ATOM 701 CD2 TYR A 51 -7.063 24.455 13.314 1.00 0.00 C ATOM 702 CE1 TYR A 51 -7.648 21.757 12.828 1.00 0.00 C ATOM 703 CE2 TYR A 51 -8.390 24.000 13.363 1.00 0.00 C ATOM 704 CZ TYR A 51 -8.680 22.653 13.120 1.00 0.00 C ATOM 705 OH TYR A 51 -9.988 22.216 13.158 1.00 0.00 O ATOM 0 H TYR A 51 -3.101 25.085 14.762 1.00 0.00 H new ATOM 0 HA TYR A 51 -4.277 22.368 14.209 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -4.531 25.085 13.084 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -4.223 23.843 11.886 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -5.535 21.517 12.534 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -6.837 25.493 13.510 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -7.871 20.715 12.649 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -9.189 24.691 13.589 1.00 0.00 H new ATOM 0 HH TYR A 51 -10.572 22.954 13.432 1.00 0.00 H new ATOM 715 N VAL A 52 -1.973 21.678 13.655 1.00 0.00 N ATOM 716 CA VAL A 52 -0.653 21.160 13.194 1.00 0.00 C ATOM 717 C VAL A 52 -0.768 20.370 11.891 1.00 0.00 C ATOM 718 O VAL A 52 -1.844 20.109 11.393 1.00 0.00 O ATOM 719 CB VAL A 52 -0.114 20.243 14.286 1.00 0.00 C ATOM 720 CG1 VAL A 52 1.380 19.996 14.076 1.00 0.00 C ATOM 721 CG2 VAL A 52 -0.352 20.907 15.644 1.00 0.00 C ATOM 0 H VAL A 52 -2.484 21.046 14.271 1.00 0.00 H new ATOM 0 HA VAL A 52 0.011 22.004 13.005 1.00 0.00 H new ATOM 0 HB VAL A 52 -0.628 19.283 14.249 1.00 0.00 H new ATOM 0 HG11 VAL A 52 1.754 19.340 14.862 1.00 0.00 H new ATOM 0 HG12 VAL A 52 1.538 19.526 13.105 1.00 0.00 H new ATOM 0 HG13 VAL A 52 1.914 20.945 14.111 1.00 0.00 H new ATOM 0 HG21 VAL A 52 0.029 20.262 16.436 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.166 21.866 15.676 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.420 21.067 15.789 1.00 0.00 H new ATOM 731 N ASN A 53 0.358 19.981 11.347 1.00 0.00 N ATOM 732 CA ASN A 53 0.356 19.195 10.088 1.00 0.00 C ATOM 733 C ASN A 53 -0.216 17.805 10.373 1.00 0.00 C ATOM 734 O ASN A 53 -0.619 17.503 11.478 1.00 0.00 O ATOM 735 CB ASN A 53 1.789 19.060 9.569 1.00 0.00 C ATOM 736 CG ASN A 53 1.897 19.716 8.191 1.00 0.00 C ATOM 737 OD1 ASN A 53 0.900 19.957 7.541 1.00 0.00 O ATOM 738 ND2 ASN A 53 3.075 20.016 7.716 1.00 0.00 N ATOM 0 H ASN A 53 1.283 20.179 11.729 1.00 0.00 H new ATOM 0 HA ASN A 53 -0.253 19.699 9.338 1.00 0.00 H new ATOM 0 HB2 ASN A 53 2.484 19.531 10.263 1.00 0.00 H new ATOM 0 HB3 ASN A 53 2.066 18.008 9.505 1.00 0.00 H new ATOM 0 HD21 ASN A 53 3.159 20.453 6.798 1.00 0.00 H new ATOM 0 HD22 ASN A 53 3.912 19.813 8.263 1.00 0.00 H new ATOM 745 N GLU A 54 -0.257 16.957 9.386 1.00 0.00 N ATOM 746 CA GLU A 54 -0.807 15.588 9.602 1.00 0.00 C ATOM 747 C GLU A 54 0.335 14.579 9.755 1.00 0.00 C ATOM 748 O GLU A 54 0.108 13.402 9.956 1.00 0.00 O ATOM 749 CB GLU A 54 -1.675 15.193 8.405 1.00 0.00 C ATOM 750 CG GLU A 54 -2.361 16.437 7.836 1.00 0.00 C ATOM 751 CD GLU A 54 -3.777 16.078 7.384 1.00 0.00 C ATOM 752 OE1 GLU A 54 -3.918 15.595 6.272 1.00 0.00 O ATOM 753 OE2 GLU A 54 -4.697 16.292 8.156 1.00 0.00 O ATOM 0 H GLU A 54 0.066 17.151 8.438 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.409 15.587 10.511 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -1.061 14.721 7.638 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.422 14.461 8.711 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -2.397 17.222 8.591 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.788 16.829 6.996 1.00 0.00 H new ATOM 760 N ALA A 55 1.560 15.019 9.648 1.00 0.00 N ATOM 761 CA ALA A 55 2.701 14.065 9.774 1.00 0.00 C ATOM 762 C ALA A 55 3.468 14.317 11.076 1.00 0.00 C ATOM 763 O ALA A 55 4.169 13.454 11.566 1.00 0.00 O ATOM 764 CB ALA A 55 3.647 14.248 8.586 1.00 0.00 C ATOM 0 H ALA A 55 1.820 15.991 9.480 1.00 0.00 H new ATOM 0 HA ALA A 55 2.310 13.048 9.786 1.00 0.00 H new ATOM 0 HB1 ALA A 55 4.482 13.553 8.675 1.00 0.00 H new ATOM 0 HB2 ALA A 55 3.109 14.052 7.659 1.00 0.00 H new ATOM 0 HB3 ALA A 55 4.026 15.270 8.577 1.00 0.00 H new ATOM 770 N PHE A 56 3.353 15.488 11.637 1.00 0.00 N ATOM 771 CA PHE A 56 4.091 15.779 12.900 1.00 0.00 C ATOM 772 C PHE A 56 3.183 15.526 14.103 1.00 0.00 C ATOM 773 O PHE A 56 3.647 15.279 15.199 1.00 0.00 O ATOM 774 CB PHE A 56 4.542 17.237 12.898 1.00 0.00 C ATOM 775 CG PHE A 56 5.637 17.414 11.876 1.00 0.00 C ATOM 776 CD1 PHE A 56 6.968 17.144 12.220 1.00 0.00 C ATOM 777 CD2 PHE A 56 5.323 17.850 10.584 1.00 0.00 C ATOM 778 CE1 PHE A 56 7.982 17.312 11.271 1.00 0.00 C ATOM 779 CE2 PHE A 56 6.338 18.018 9.636 1.00 0.00 C ATOM 780 CZ PHE A 56 7.667 17.749 9.980 1.00 0.00 C ATOM 0 H PHE A 56 2.783 16.254 11.278 1.00 0.00 H new ATOM 0 HA PHE A 56 4.962 15.127 12.967 1.00 0.00 H new ATOM 0 HB2 PHE A 56 3.701 17.890 12.665 1.00 0.00 H new ATOM 0 HB3 PHE A 56 4.902 17.521 13.887 1.00 0.00 H new ATOM 0 HD1 PHE A 56 7.211 16.807 13.217 1.00 0.00 H new ATOM 0 HD2 PHE A 56 4.297 18.057 10.319 1.00 0.00 H new ATOM 0 HE1 PHE A 56 9.008 17.104 11.535 1.00 0.00 H new ATOM 0 HE2 PHE A 56 6.096 18.355 8.639 1.00 0.00 H new ATOM 0 HZ PHE A 56 8.451 17.879 9.248 1.00 0.00 H new ATOM 790 N THR A 57 1.895 15.585 13.914 1.00 0.00 N ATOM 791 CA THR A 57 0.969 15.347 15.056 1.00 0.00 C ATOM 792 C THR A 57 1.141 13.912 15.559 1.00 0.00 C ATOM 793 O THR A 57 1.020 13.638 16.736 1.00 0.00 O ATOM 794 CB THR A 57 -0.474 15.556 14.597 1.00 0.00 C ATOM 795 OG1 THR A 57 -0.593 15.187 13.230 1.00 0.00 O ATOM 796 CG2 THR A 57 -0.852 17.027 14.766 1.00 0.00 C ATOM 0 H THR A 57 1.444 15.787 13.022 1.00 0.00 H new ATOM 0 HA THR A 57 1.198 16.046 15.861 1.00 0.00 H new ATOM 0 HB THR A 57 -1.142 14.939 15.198 1.00 0.00 H new ATOM 0 HG1 THR A 57 -0.599 15.993 12.673 1.00 0.00 H new ATOM 0 HG21 THR A 57 -1.881 17.178 14.439 1.00 0.00 H new ATOM 0 HG22 THR A 57 -0.759 17.308 15.815 1.00 0.00 H new ATOM 0 HG23 THR A 57 -0.186 17.645 14.164 1.00 0.00 H new ATOM 804 N ASP A 58 1.420 12.993 14.674 1.00 0.00 N ATOM 805 CA ASP A 58 1.598 11.577 15.100 1.00 0.00 C ATOM 806 C ASP A 58 2.850 11.458 15.971 1.00 0.00 C ATOM 807 O ASP A 58 2.777 11.122 17.137 1.00 0.00 O ATOM 808 CB ASP A 58 1.751 10.688 13.864 1.00 0.00 C ATOM 809 CG ASP A 58 1.833 9.223 14.295 1.00 0.00 C ATOM 810 OD1 ASP A 58 2.833 8.855 14.889 1.00 0.00 O ATOM 811 OD2 ASP A 58 0.894 8.492 14.023 1.00 0.00 O ATOM 0 H ASP A 58 1.532 13.163 13.675 1.00 0.00 H new ATOM 0 HA ASP A 58 0.727 11.259 15.672 1.00 0.00 H new ATOM 0 HB2 ASP A 58 0.905 10.833 13.192 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.649 10.966 13.312 1.00 0.00 H new ATOM 816 N LYS A 59 4.000 11.730 15.416 1.00 0.00 N ATOM 817 CA LYS A 59 5.253 11.632 16.215 1.00 0.00 C ATOM 818 C LYS A 59 5.079 12.397 17.528 1.00 0.00 C ATOM 819 O LYS A 59 5.751 12.135 18.506 1.00 0.00 O ATOM 820 CB LYS A 59 6.413 12.236 15.421 1.00 0.00 C ATOM 821 CG LYS A 59 6.860 11.251 14.339 1.00 0.00 C ATOM 822 CD LYS A 59 7.164 9.894 14.977 1.00 0.00 C ATOM 823 CE LYS A 59 8.184 9.143 14.120 1.00 0.00 C ATOM 824 NZ LYS A 59 9.522 9.782 14.267 1.00 0.00 N ATOM 0 H LYS A 59 4.125 12.015 14.445 1.00 0.00 H new ATOM 0 HA LYS A 59 5.468 10.585 16.430 1.00 0.00 H new ATOM 0 HB2 LYS A 59 6.105 13.177 14.966 1.00 0.00 H new ATOM 0 HB3 LYS A 59 7.245 12.462 16.088 1.00 0.00 H new ATOM 0 HG2 LYS A 59 6.080 11.144 13.585 1.00 0.00 H new ATOM 0 HG3 LYS A 59 7.745 11.631 13.829 1.00 0.00 H new ATOM 0 HD2 LYS A 59 7.553 10.034 15.985 1.00 0.00 H new ATOM 0 HD3 LYS A 59 6.248 9.309 15.067 1.00 0.00 H new ATOM 0 HE2 LYS A 59 8.233 8.098 14.426 1.00 0.00 H new ATOM 0 HE3 LYS A 59 7.876 9.155 13.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 9.998 9.806 13.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 9.406 10.752 14.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 10.097 9.234 14.938 1.00 0.00 H new ATOM 838 N VAL A 60 4.178 13.341 17.558 1.00 0.00 N ATOM 839 CA VAL A 60 3.956 14.121 18.807 1.00 0.00 C ATOM 840 C VAL A 60 3.584 13.153 19.942 1.00 0.00 C ATOM 841 O VAL A 60 3.209 12.025 19.691 1.00 0.00 O ATOM 842 CB VAL A 60 2.839 15.160 18.554 1.00 0.00 C ATOM 843 CG1 VAL A 60 1.625 14.921 19.464 1.00 0.00 C ATOM 844 CG2 VAL A 60 3.392 16.562 18.813 1.00 0.00 C ATOM 0 H VAL A 60 3.586 13.605 16.771 1.00 0.00 H new ATOM 0 HA VAL A 60 4.860 14.655 19.100 1.00 0.00 H new ATOM 0 HB VAL A 60 2.511 15.060 17.519 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.862 15.671 19.257 1.00 0.00 H new ATOM 0 HG12 VAL A 60 1.219 13.927 19.275 1.00 0.00 H new ATOM 0 HG13 VAL A 60 1.932 14.995 20.507 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.610 17.300 18.636 1.00 0.00 H new ATOM 0 HG22 VAL A 60 3.732 16.634 19.846 1.00 0.00 H new ATOM 0 HG23 VAL A 60 4.229 16.753 18.141 1.00 0.00 H new ATOM 854 N PRO A 61 3.701 13.626 21.157 1.00 0.00 N ATOM 855 CA PRO A 61 3.382 12.818 22.346 1.00 0.00 C ATOM 856 C PRO A 61 1.926 12.348 22.292 1.00 0.00 C ATOM 857 O PRO A 61 1.160 12.765 21.446 1.00 0.00 O ATOM 858 CB PRO A 61 3.606 13.762 23.536 1.00 0.00 C ATOM 859 CG PRO A 61 4.108 15.117 22.973 1.00 0.00 C ATOM 860 CD PRO A 61 4.156 14.999 21.442 1.00 0.00 C ATOM 0 HA PRO A 61 3.998 11.922 22.417 1.00 0.00 H new ATOM 0 HB2 PRO A 61 2.680 13.899 24.095 1.00 0.00 H new ATOM 0 HB3 PRO A 61 4.336 13.340 24.227 1.00 0.00 H new ATOM 0 HG2 PRO A 61 3.442 15.926 23.273 1.00 0.00 H new ATOM 0 HG3 PRO A 61 5.096 15.353 23.369 1.00 0.00 H new ATOM 0 HD2 PRO A 61 3.509 15.737 20.968 1.00 0.00 H new ATOM 0 HD3 PRO A 61 5.164 15.169 21.063 1.00 0.00 H new ATOM 868 N ALA A 62 1.539 11.480 23.186 1.00 0.00 N ATOM 869 CA ALA A 62 0.136 10.982 23.185 1.00 0.00 C ATOM 870 C ALA A 62 -0.602 11.534 24.403 1.00 0.00 C ATOM 871 O ALA A 62 -1.087 10.794 25.236 1.00 0.00 O ATOM 872 CB ALA A 62 0.137 9.456 23.242 1.00 0.00 C ATOM 0 H ALA A 62 2.135 11.094 23.918 1.00 0.00 H new ATOM 0 HA ALA A 62 -0.365 11.312 22.275 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -0.890 9.091 23.241 1.00 0.00 H new ATOM 0 HB2 ALA A 62 0.663 9.060 22.374 1.00 0.00 H new ATOM 0 HB3 ALA A 62 0.639 9.126 24.152 1.00 0.00 H new ATOM 878 N ALA A 63 -0.688 12.829 24.512 1.00 0.00 N ATOM 879 CA ALA A 63 -1.393 13.439 25.675 1.00 0.00 C ATOM 880 C ALA A 63 -2.682 12.664 25.956 1.00 0.00 C ATOM 881 O ALA A 63 -3.269 12.074 25.070 1.00 0.00 O ATOM 882 CB ALA A 63 -1.734 14.897 25.357 1.00 0.00 C ATOM 0 H ALA A 63 -0.299 13.495 23.844 1.00 0.00 H new ATOM 0 HA ALA A 63 -0.747 13.399 26.552 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -2.250 15.344 26.207 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -0.816 15.450 25.158 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -2.379 14.937 24.479 1.00 0.00 H new ATOM 888 N ASN A 64 -3.126 12.656 27.183 1.00 0.00 N ATOM 889 CA ASN A 64 -4.375 11.915 27.519 1.00 0.00 C ATOM 890 C ASN A 64 -5.550 12.512 26.741 1.00 0.00 C ATOM 891 O ASN A 64 -5.369 13.220 25.770 1.00 0.00 O ATOM 892 CB ASN A 64 -4.651 12.025 29.020 1.00 0.00 C ATOM 893 CG ASN A 64 -3.329 11.972 29.789 1.00 0.00 C ATOM 894 OD1 ASN A 64 -3.017 12.950 30.594 1.00 0.00 O flip ATOM 895 ND2 ASN A 64 -2.573 11.030 29.656 1.00 0.00 N flip ATOM 0 H ASN A 64 -2.678 13.130 27.967 1.00 0.00 H new ATOM 0 HA ASN A 64 -4.254 10.866 27.249 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -5.173 12.957 29.237 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -5.303 11.213 29.341 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -2.817 10.265 29.027 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -1.695 11.004 30.174 1.00 0.00 H new ATOM 902 N GLU A 65 -6.753 12.232 27.162 1.00 0.00 N ATOM 903 CA GLU A 65 -7.939 12.783 26.449 1.00 0.00 C ATOM 904 C GLU A 65 -8.473 13.999 27.208 1.00 0.00 C ATOM 905 O GLU A 65 -9.151 14.841 26.653 1.00 0.00 O ATOM 906 CB GLU A 65 -9.030 11.712 26.371 1.00 0.00 C ATOM 907 CG GLU A 65 -9.644 11.709 24.970 1.00 0.00 C ATOM 908 CD GLU A 65 -10.742 12.771 24.891 1.00 0.00 C ATOM 909 OE1 GLU A 65 -11.102 13.301 25.929 1.00 0.00 O ATOM 910 OE2 GLU A 65 -11.205 13.036 23.794 1.00 0.00 O ATOM 0 H GLU A 65 -6.965 11.645 27.969 1.00 0.00 H new ATOM 0 HA GLU A 65 -7.649 13.082 25.442 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -8.609 10.732 26.597 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -9.800 11.908 27.117 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -8.875 11.910 24.224 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -10.057 10.726 24.745 1.00 0.00 H new ATOM 917 N ARG A 66 -8.172 14.099 28.474 1.00 0.00 N ATOM 918 CA ARG A 66 -8.663 15.261 29.268 1.00 0.00 C ATOM 919 C ARG A 66 -8.479 16.545 28.458 1.00 0.00 C ATOM 920 O ARG A 66 -9.419 17.273 28.208 1.00 0.00 O ATOM 921 CB ARG A 66 -7.868 15.360 30.572 1.00 0.00 C ATOM 922 CG ARG A 66 -8.168 14.142 31.447 1.00 0.00 C ATOM 923 CD ARG A 66 -6.855 13.524 31.930 1.00 0.00 C ATOM 924 NE ARG A 66 -7.067 12.080 32.230 1.00 0.00 N ATOM 925 CZ ARG A 66 -6.042 11.281 32.370 1.00 0.00 C ATOM 926 NH1 ARG A 66 -4.827 11.744 32.247 1.00 0.00 N ATOM 927 NH2 ARG A 66 -6.233 10.017 32.632 1.00 0.00 N ATOM 0 H ARG A 66 -7.607 13.426 28.993 1.00 0.00 H new ATOM 0 HA ARG A 66 -9.720 15.125 29.497 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -6.801 15.412 30.356 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -8.131 16.275 31.102 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -8.779 14.436 32.300 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -8.742 13.407 30.882 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -6.084 13.639 31.168 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -6.502 14.044 32.821 1.00 0.00 H new ATOM 0 HE ARG A 66 -8.014 11.714 32.326 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -4.676 12.732 32.041 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -4.029 11.118 32.357 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -7.181 9.654 32.727 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -5.434 9.392 32.741 1.00 0.00 H new ATOM 941 N GLU A 67 -7.274 16.830 28.046 1.00 0.00 N ATOM 942 CA GLU A 67 -7.031 18.067 27.252 1.00 0.00 C ATOM 943 C GLU A 67 -7.768 17.968 25.915 1.00 0.00 C ATOM 944 O GLU A 67 -8.195 18.958 25.356 1.00 0.00 O ATOM 945 CB GLU A 67 -5.530 18.222 26.997 1.00 0.00 C ATOM 946 CG GLU A 67 -4.966 16.908 26.454 1.00 0.00 C ATOM 947 CD GLU A 67 -3.889 16.383 27.406 1.00 0.00 C ATOM 948 OE1 GLU A 67 -3.271 17.194 28.075 1.00 0.00 O ATOM 949 OE2 GLU A 67 -3.702 15.178 27.449 1.00 0.00 O ATOM 0 H GLU A 67 -6.448 16.260 28.225 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.397 18.932 27.805 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -5.353 19.028 26.285 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.020 18.495 27.921 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.764 16.173 26.350 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -4.544 17.064 25.461 1.00 0.00 H new ATOM 956 N ILE A 68 -7.921 16.779 25.398 1.00 0.00 N ATOM 957 CA ILE A 68 -8.631 16.618 24.098 1.00 0.00 C ATOM 958 C ILE A 68 -10.025 17.241 24.196 1.00 0.00 C ATOM 959 O ILE A 68 -10.469 17.934 23.302 1.00 0.00 O ATOM 960 CB ILE A 68 -8.759 15.130 23.769 1.00 0.00 C ATOM 961 CG1 ILE A 68 -7.363 14.518 23.624 1.00 0.00 C ATOM 962 CG2 ILE A 68 -9.526 14.961 22.456 1.00 0.00 C ATOM 963 CD1 ILE A 68 -6.559 15.318 22.597 1.00 0.00 C ATOM 0 H ILE A 68 -7.585 15.913 25.820 1.00 0.00 H new ATOM 0 HA ILE A 68 -8.066 17.117 23.311 1.00 0.00 H new ATOM 0 HB ILE A 68 -9.297 14.626 24.572 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -6.851 14.522 24.586 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -7.441 13.477 23.309 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -9.617 13.900 22.222 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -10.520 15.397 22.557 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -8.988 15.465 21.653 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -5.565 14.882 22.494 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -7.069 15.290 21.634 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -6.469 16.352 22.931 1.00 0.00 H new ATOM 975 N GLY A 69 -10.718 17.001 25.275 1.00 0.00 N ATOM 976 CA GLY A 69 -12.083 17.581 25.427 1.00 0.00 C ATOM 977 C GLY A 69 -11.971 19.079 25.717 1.00 0.00 C ATOM 978 O GLY A 69 -12.835 19.855 25.362 1.00 0.00 O ATOM 0 H GLY A 69 -10.399 16.429 26.057 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -12.662 17.418 24.518 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -12.614 17.081 26.237 1.00 0.00 H new ATOM 982 N MET A 70 -10.913 19.491 26.360 1.00 0.00 N ATOM 983 CA MET A 70 -10.748 20.938 26.671 1.00 0.00 C ATOM 984 C MET A 70 -10.513 21.712 25.372 1.00 0.00 C ATOM 985 O MET A 70 -10.638 22.919 25.325 1.00 0.00 O ATOM 986 CB MET A 70 -9.548 21.126 27.602 1.00 0.00 C ATOM 987 CG MET A 70 -9.991 20.926 29.053 1.00 0.00 C ATOM 988 SD MET A 70 -10.894 19.365 29.199 1.00 0.00 S ATOM 989 CE MET A 70 -12.151 19.938 30.368 1.00 0.00 C ATOM 0 H MET A 70 -10.156 18.888 26.683 1.00 0.00 H new ATOM 0 HA MET A 70 -11.648 21.311 27.160 1.00 0.00 H new ATOM 0 HB2 MET A 70 -8.763 20.414 27.349 1.00 0.00 H new ATOM 0 HB3 MET A 70 -9.127 22.123 27.473 1.00 0.00 H new ATOM 0 HG2 MET A 70 -9.123 20.919 29.712 1.00 0.00 H new ATOM 0 HG3 MET A 70 -10.624 21.755 29.369 1.00 0.00 H new ATOM 0 HE1 MET A 70 -12.830 19.118 30.603 1.00 0.00 H new ATOM 0 HE2 MET A 70 -11.668 20.282 31.282 1.00 0.00 H new ATOM 0 HE3 MET A 70 -12.713 20.759 29.924 1.00 0.00 H new ATOM 999 N LEU A 71 -10.175 21.024 24.316 1.00 0.00 N ATOM 1000 CA LEU A 71 -9.934 21.719 23.020 1.00 0.00 C ATOM 1001 C LEU A 71 -11.240 21.779 22.225 1.00 0.00 C ATOM 1002 O LEU A 71 -11.330 22.439 21.209 1.00 0.00 O ATOM 1003 CB LEU A 71 -8.882 20.951 22.216 1.00 0.00 C ATOM 1004 CG LEU A 71 -8.087 21.930 21.351 1.00 0.00 C ATOM 1005 CD1 LEU A 71 -7.441 22.992 22.241 1.00 0.00 C ATOM 1006 CD2 LEU A 71 -6.996 21.169 20.594 1.00 0.00 C ATOM 0 H LEU A 71 -10.055 20.011 24.295 1.00 0.00 H new ATOM 0 HA LEU A 71 -9.577 22.731 23.211 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -8.212 20.417 22.890 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -9.364 20.202 21.587 1.00 0.00 H new ATOM 0 HG LEU A 71 -8.757 22.412 20.640 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -6.875 23.689 21.623 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.217 23.534 22.782 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -6.770 22.511 22.953 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -6.428 21.865 19.977 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.327 20.687 21.307 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.455 20.412 19.958 1.00 0.00 H new ATOM 1018 N GLU A 72 -12.255 21.095 22.680 1.00 0.00 N ATOM 1019 CA GLU A 72 -13.553 21.114 21.951 1.00 0.00 C ATOM 1020 C GLU A 72 -14.309 22.400 22.293 1.00 0.00 C ATOM 1021 O GLU A 72 -15.160 22.848 21.550 1.00 0.00 O ATOM 1022 CB GLU A 72 -14.390 19.902 22.368 1.00 0.00 C ATOM 1023 CG GLU A 72 -15.825 20.072 21.864 1.00 0.00 C ATOM 1024 CD GLU A 72 -16.546 18.724 21.911 1.00 0.00 C ATOM 1025 OE1 GLU A 72 -16.027 17.818 22.541 1.00 0.00 O ATOM 1026 OE2 GLU A 72 -17.605 18.621 21.314 1.00 0.00 O ATOM 0 H GLU A 72 -12.240 20.524 23.525 1.00 0.00 H new ATOM 0 HA GLU A 72 -13.369 21.075 20.877 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -13.956 18.989 21.959 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -14.385 19.799 23.453 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -16.354 20.801 22.479 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -15.820 20.458 20.845 1.00 0.00 H new ATOM 1033 N CYS A 73 -14.005 22.997 23.413 1.00 0.00 N ATOM 1034 CA CYS A 73 -14.706 24.254 23.801 1.00 0.00 C ATOM 1035 C CYS A 73 -14.006 25.449 23.152 1.00 0.00 C ATOM 1036 O CYS A 73 -13.762 26.457 23.786 1.00 0.00 O ATOM 1037 CB CYS A 73 -14.674 24.407 25.323 1.00 0.00 C ATOM 1038 SG CYS A 73 -16.362 24.352 25.971 1.00 0.00 S ATOM 0 H CYS A 73 -13.302 22.669 24.076 1.00 0.00 H new ATOM 0 HA CYS A 73 -15.741 24.212 23.463 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -14.077 23.610 25.767 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -14.200 25.350 25.594 1.00 0.00 H new ATOM 0 HG CYS A 73 -16.335 24.480 27.264 1.00 0.00 H new ATOM 1044 N VAL A 74 -13.679 25.346 21.893 1.00 0.00 N ATOM 1045 CA VAL A 74 -12.994 26.476 21.205 1.00 0.00 C ATOM 1046 C VAL A 74 -13.979 27.167 20.259 1.00 0.00 C ATOM 1047 O VAL A 74 -15.017 26.629 19.928 1.00 0.00 O ATOM 1048 CB VAL A 74 -11.805 25.939 20.405 1.00 0.00 C ATOM 1049 CG1 VAL A 74 -10.988 24.989 21.283 1.00 0.00 C ATOM 1050 CG2 VAL A 74 -12.316 25.182 19.177 1.00 0.00 C ATOM 0 H VAL A 74 -13.857 24.527 21.311 1.00 0.00 H new ATOM 0 HA VAL A 74 -12.638 27.193 21.945 1.00 0.00 H new ATOM 0 HB VAL A 74 -11.178 26.771 20.085 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -10.141 24.606 20.714 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -10.624 25.526 22.159 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -11.616 24.158 21.602 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -11.469 24.799 18.607 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -12.943 24.350 19.497 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -12.900 25.857 18.551 1.00 0.00 H new ATOM 1060 N THR A 75 -13.664 28.356 19.821 1.00 0.00 N ATOM 1061 CA THR A 75 -14.586 29.075 18.898 1.00 0.00 C ATOM 1062 C THR A 75 -14.309 28.642 17.459 1.00 0.00 C ATOM 1063 O THR A 75 -14.860 29.187 16.523 1.00 0.00 O ATOM 1064 CB THR A 75 -14.365 30.585 19.023 1.00 0.00 C ATOM 1065 OG1 THR A 75 -14.631 30.993 20.357 1.00 0.00 O ATOM 1066 CG2 THR A 75 -15.305 31.319 18.065 1.00 0.00 C ATOM 0 H THR A 75 -12.810 28.859 20.062 1.00 0.00 H new ATOM 0 HA THR A 75 -15.616 28.835 19.160 1.00 0.00 H new ATOM 0 HB THR A 75 -13.332 30.824 18.770 1.00 0.00 H new ATOM 0 HG1 THR A 75 -14.038 30.511 20.971 1.00 0.00 H new ATOM 0 HG21 THR A 75 -15.148 32.394 18.154 1.00 0.00 H new ATOM 0 HG22 THR A 75 -15.099 31.005 17.042 1.00 0.00 H new ATOM 0 HG23 THR A 75 -16.339 31.081 18.316 1.00 0.00 H new ATOM 1074 N ALA A 76 -13.462 27.668 17.269 1.00 0.00 N ATOM 1075 CA ALA A 76 -13.161 27.213 15.886 1.00 0.00 C ATOM 1076 C ALA A 76 -13.661 25.784 15.701 1.00 0.00 C ATOM 1077 O ALA A 76 -14.543 25.323 16.398 1.00 0.00 O ATOM 1078 CB ALA A 76 -11.651 27.250 15.645 1.00 0.00 C ATOM 0 H ALA A 76 -12.968 27.170 18.010 1.00 0.00 H new ATOM 0 HA ALA A 76 -13.659 27.874 15.176 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -11.436 26.916 14.630 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -11.286 28.269 15.776 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -11.153 26.592 16.357 1.00 0.00 H new ATOM 1084 N GLU A 77 -13.087 25.079 14.774 1.00 0.00 N ATOM 1085 CA GLU A 77 -13.491 23.678 14.534 1.00 0.00 C ATOM 1086 C GLU A 77 -12.330 22.792 14.933 1.00 0.00 C ATOM 1087 O GLU A 77 -11.195 23.202 14.845 1.00 0.00 O ATOM 1088 CB GLU A 77 -13.788 23.467 13.056 1.00 0.00 C ATOM 1089 CG GLU A 77 -13.012 24.475 12.201 1.00 0.00 C ATOM 1090 CD GLU A 77 -13.483 24.379 10.749 1.00 0.00 C ATOM 1091 OE1 GLU A 77 -14.682 24.441 10.530 1.00 0.00 O ATOM 1092 OE2 GLU A 77 -12.637 24.246 9.880 1.00 0.00 O ATOM 0 H GLU A 77 -12.344 25.422 14.165 1.00 0.00 H new ATOM 0 HA GLU A 77 -14.385 23.441 15.111 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -13.517 22.452 12.766 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -14.857 23.576 12.875 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -13.168 25.485 12.579 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -11.943 24.273 12.262 1.00 0.00 H new ATOM 1099 N LEU A 78 -12.573 21.587 15.351 1.00 0.00 N ATOM 1100 CA LEU A 78 -11.418 20.736 15.725 1.00 0.00 C ATOM 1101 C LEU A 78 -11.463 19.389 15.021 1.00 0.00 C ATOM 1102 O LEU A 78 -12.485 18.935 14.545 1.00 0.00 O ATOM 1103 CB LEU A 78 -11.354 20.517 17.236 1.00 0.00 C ATOM 1104 CG LEU A 78 -9.883 20.324 17.595 1.00 0.00 C ATOM 1105 CD1 LEU A 78 -9.481 21.234 18.754 1.00 0.00 C ATOM 1106 CD2 LEU A 78 -9.620 18.866 17.973 1.00 0.00 C ATOM 0 H LEU A 78 -13.495 21.163 15.449 1.00 0.00 H new ATOM 0 HA LEU A 78 -10.522 21.268 15.405 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -11.772 21.372 17.768 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -11.940 19.644 17.525 1.00 0.00 H new ATOM 0 HG LEU A 78 -9.285 20.586 16.722 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -8.429 21.078 18.991 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -9.639 22.275 18.471 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -10.088 21.000 19.628 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -8.568 18.740 18.227 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -10.235 18.596 18.831 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -9.869 18.221 17.130 1.00 0.00 H new ATOM 1118 N LYS A 79 -10.328 18.762 14.960 1.00 0.00 N ATOM 1119 CA LYS A 79 -10.198 17.442 14.303 1.00 0.00 C ATOM 1120 C LYS A 79 -9.084 16.678 15.022 1.00 0.00 C ATOM 1121 O LYS A 79 -8.386 17.240 15.841 1.00 0.00 O ATOM 1122 CB LYS A 79 -9.830 17.622 12.818 1.00 0.00 C ATOM 1123 CG LYS A 79 -9.458 19.075 12.509 1.00 0.00 C ATOM 1124 CD LYS A 79 -10.684 19.814 11.966 1.00 0.00 C ATOM 1125 CE LYS A 79 -11.236 19.067 10.750 1.00 0.00 C ATOM 1126 NZ LYS A 79 -12.016 20.010 9.899 1.00 0.00 N ATOM 0 H LYS A 79 -9.458 19.123 15.352 1.00 0.00 H new ATOM 0 HA LYS A 79 -11.140 16.896 14.357 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -8.994 16.969 12.567 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -10.670 17.319 12.194 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -9.094 19.567 13.411 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -8.649 19.107 11.779 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -11.449 19.887 12.739 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -10.414 20.833 11.688 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -10.418 18.633 10.175 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -11.871 18.242 11.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -12.391 19.502 9.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -12.805 20.404 10.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -11.397 20.782 9.579 1.00 0.00 H new ATOM 1140 N PRO A 80 -8.943 15.427 14.694 1.00 0.00 N ATOM 1141 CA PRO A 80 -7.905 14.576 15.297 1.00 0.00 C ATOM 1142 C PRO A 80 -6.526 15.203 15.076 1.00 0.00 C ATOM 1143 O PRO A 80 -5.554 14.829 15.701 1.00 0.00 O ATOM 1144 CB PRO A 80 -8.023 13.236 14.556 1.00 0.00 C ATOM 1145 CG PRO A 80 -9.192 13.360 13.543 1.00 0.00 C ATOM 1146 CD PRO A 80 -9.799 14.763 13.703 1.00 0.00 C ATOM 0 HA PRO A 80 -8.028 14.456 16.373 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -7.092 13.001 14.039 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -8.211 12.425 15.260 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -8.833 13.212 12.524 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -9.944 12.594 13.731 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -9.802 15.304 12.757 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -10.833 14.711 14.044 1.00 0.00 H new ATOM 1154 N ASN A 81 -6.437 16.152 14.184 1.00 0.00 N ATOM 1155 CA ASN A 81 -5.124 16.804 13.910 1.00 0.00 C ATOM 1156 C ASN A 81 -4.886 17.968 14.885 1.00 0.00 C ATOM 1157 O ASN A 81 -3.761 18.278 15.226 1.00 0.00 O ATOM 1158 CB ASN A 81 -5.121 17.335 12.475 1.00 0.00 C ATOM 1159 CG ASN A 81 -3.911 18.244 12.271 1.00 0.00 C ATOM 1160 OD1 ASN A 81 -2.776 17.925 12.827 1.00 0.00 O flip ATOM 1161 ND2 ASN A 81 -3.999 19.254 11.601 1.00 0.00 N flip ATOM 0 H ASN A 81 -7.219 16.505 13.632 1.00 0.00 H new ATOM 0 HA ASN A 81 -4.329 16.071 14.042 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -5.089 16.505 11.769 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -6.041 17.886 12.278 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -4.888 19.502 11.167 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -3.184 19.854 11.473 1.00 0.00 H new ATOM 1168 N SER A 82 -5.926 18.624 15.325 1.00 0.00 N ATOM 1169 CA SER A 82 -5.744 19.775 16.265 1.00 0.00 C ATOM 1170 C SER A 82 -5.249 19.283 17.622 1.00 0.00 C ATOM 1171 O SER A 82 -5.404 18.130 17.972 1.00 0.00 O ATOM 1172 CB SER A 82 -7.066 20.496 16.451 1.00 0.00 C ATOM 1173 OG SER A 82 -7.833 20.379 15.260 1.00 0.00 O ATOM 0 H SER A 82 -6.893 18.416 15.077 1.00 0.00 H new ATOM 0 HA SER A 82 -5.006 20.455 15.841 1.00 0.00 H new ATOM 0 HB2 SER A 82 -7.612 20.069 17.293 1.00 0.00 H new ATOM 0 HB3 SER A 82 -6.892 21.546 16.684 1.00 0.00 H new ATOM 0 HG SER A 82 -7.864 21.246 14.805 1.00 0.00 H new ATOM 1179 N ARG A 83 -4.656 20.155 18.395 1.00 0.00 N ATOM 1180 CA ARG A 83 -4.156 19.743 19.733 1.00 0.00 C ATOM 1181 C ARG A 83 -3.940 20.987 20.591 1.00 0.00 C ATOM 1182 O ARG A 83 -3.920 22.096 20.096 1.00 0.00 O ATOM 1183 CB ARG A 83 -2.830 18.994 19.576 1.00 0.00 C ATOM 1184 CG ARG A 83 -3.109 17.523 19.257 1.00 0.00 C ATOM 1185 CD ARG A 83 -2.098 16.640 19.991 1.00 0.00 C ATOM 1186 NE ARG A 83 -2.731 16.070 21.214 1.00 0.00 N ATOM 1187 CZ ARG A 83 -2.176 15.060 21.830 1.00 0.00 C ATOM 1188 NH1 ARG A 83 -1.063 14.546 21.378 1.00 0.00 N ATOM 1189 NH2 ARG A 83 -2.733 14.565 22.900 1.00 0.00 N ATOM 0 H ARG A 83 -4.498 21.134 18.155 1.00 0.00 H new ATOM 0 HA ARG A 83 -4.885 19.089 20.211 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -2.238 19.444 18.779 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -2.244 19.074 20.492 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -4.123 17.261 19.559 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -3.042 17.354 18.182 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -1.758 15.837 19.337 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -1.219 17.224 20.262 1.00 0.00 H new ATOM 0 HE ARG A 83 -3.599 16.469 21.571 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -0.625 14.933 20.542 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -0.632 13.758 21.861 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -3.601 14.966 23.255 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -2.301 13.777 23.382 1.00 0.00 H new ATOM 1203 N LEU A 84 -3.766 20.817 21.870 1.00 0.00 N ATOM 1204 CA LEU A 84 -3.537 21.997 22.745 1.00 0.00 C ATOM 1205 C LEU A 84 -2.073 22.420 22.620 1.00 0.00 C ATOM 1206 O LEU A 84 -1.178 21.662 22.921 1.00 0.00 O ATOM 1207 CB LEU A 84 -3.841 21.624 24.198 1.00 0.00 C ATOM 1208 CG LEU A 84 -5.344 21.392 24.361 1.00 0.00 C ATOM 1209 CD1 LEU A 84 -5.691 19.967 23.926 1.00 0.00 C ATOM 1210 CD2 LEU A 84 -5.733 21.585 25.828 1.00 0.00 C ATOM 0 H LEU A 84 -3.772 19.915 22.346 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.189 22.817 22.444 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -3.291 20.725 24.477 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -3.510 22.420 24.866 1.00 0.00 H new ATOM 0 HG LEU A 84 -5.890 22.104 23.742 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -6.762 19.802 24.042 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -5.414 19.828 22.881 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -5.145 19.255 24.544 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -6.804 21.420 25.945 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -5.186 20.873 26.446 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -5.486 22.600 26.139 1.00 0.00 H new ATOM 1222 N CYS A 85 -1.820 23.618 22.168 1.00 0.00 N ATOM 1223 CA CYS A 85 -0.409 24.077 22.020 1.00 0.00 C ATOM 1224 C CYS A 85 0.371 23.745 23.292 1.00 0.00 C ATOM 1225 O CYS A 85 1.579 23.611 23.276 1.00 0.00 O ATOM 1226 CB CYS A 85 -0.386 25.589 21.789 1.00 0.00 C ATOM 1227 SG CYS A 85 1.081 26.031 20.825 1.00 0.00 S ATOM 0 H CYS A 85 -2.529 24.299 21.895 1.00 0.00 H new ATOM 0 HA CYS A 85 0.050 23.572 21.170 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -1.288 25.901 21.262 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -0.378 26.113 22.745 1.00 0.00 H new ATOM 0 HG CYS A 85 1.099 27.316 20.627 1.00 0.00 H new ATOM 1233 N CYS A 86 -0.311 23.614 24.395 1.00 0.00 N ATOM 1234 CA CYS A 86 0.383 23.294 25.673 1.00 0.00 C ATOM 1235 C CYS A 86 0.505 21.776 25.830 1.00 0.00 C ATOM 1236 O CYS A 86 0.492 21.256 26.929 1.00 0.00 O ATOM 1237 CB CYS A 86 -0.427 23.849 26.840 1.00 0.00 C ATOM 1238 SG CYS A 86 -2.032 23.016 26.891 1.00 0.00 S ATOM 0 H CYS A 86 -1.323 23.715 24.467 1.00 0.00 H new ATOM 0 HA CYS A 86 1.377 23.741 25.663 1.00 0.00 H new ATOM 0 HB2 CYS A 86 0.108 23.694 27.777 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -0.564 24.924 26.726 1.00 0.00 H new ATOM 1243 N GLN A 87 0.613 21.058 24.748 1.00 0.00 N ATOM 1244 CA GLN A 87 0.724 19.575 24.851 1.00 0.00 C ATOM 1245 C GLN A 87 1.552 19.030 23.685 1.00 0.00 C ATOM 1246 O GLN A 87 1.589 17.839 23.444 1.00 0.00 O ATOM 1247 CB GLN A 87 -0.676 18.957 24.812 1.00 0.00 C ATOM 1248 CG GLN A 87 -1.205 18.802 26.239 1.00 0.00 C ATOM 1249 CD GLN A 87 -0.244 17.930 27.049 1.00 0.00 C ATOM 1250 OE1 GLN A 87 0.281 16.871 26.495 1.00 0.00 O flip ATOM 1251 NE2 GLN A 87 0.033 18.214 28.197 1.00 0.00 N flip ATOM 0 H GLN A 87 0.629 21.431 23.799 1.00 0.00 H new ATOM 0 HA GLN A 87 1.215 19.317 25.790 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -1.348 19.588 24.230 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -0.643 17.986 24.318 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -1.308 19.781 26.708 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -2.197 18.350 26.223 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -0.377 19.041 28.631 1.00 0.00 H new ATOM 0 HE22 GLN A 87 0.675 17.625 28.727 1.00 0.00 H new ATOM 1260 N ILE A 88 2.224 19.884 22.964 1.00 0.00 N ATOM 1261 CA ILE A 88 3.054 19.399 21.825 1.00 0.00 C ATOM 1262 C ILE A 88 4.526 19.544 22.196 1.00 0.00 C ATOM 1263 O ILE A 88 4.927 20.509 22.816 1.00 0.00 O ATOM 1264 CB ILE A 88 2.774 20.213 20.553 1.00 0.00 C ATOM 1265 CG1 ILE A 88 1.656 21.235 20.800 1.00 0.00 C ATOM 1266 CG2 ILE A 88 2.352 19.267 19.428 1.00 0.00 C ATOM 1267 CD1 ILE A 88 0.342 20.503 21.083 1.00 0.00 C ATOM 0 H ILE A 88 2.235 20.893 23.113 1.00 0.00 H new ATOM 0 HA ILE A 88 2.806 18.356 21.628 1.00 0.00 H new ATOM 0 HB ILE A 88 3.682 20.746 20.273 1.00 0.00 H new ATOM 0 HG12 ILE A 88 1.915 21.876 21.643 1.00 0.00 H new ATOM 0 HG13 ILE A 88 1.543 21.882 19.930 1.00 0.00 H new ATOM 0 HG21 ILE A 88 2.153 19.843 18.524 1.00 0.00 H new ATOM 0 HG22 ILE A 88 3.152 18.552 19.234 1.00 0.00 H new ATOM 0 HG23 ILE A 88 1.450 18.731 19.723 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -0.450 21.231 21.258 1.00 0.00 H new ATOM 0 HD12 ILE A 88 0.080 19.881 20.227 1.00 0.00 H new ATOM 0 HD13 ILE A 88 0.458 19.875 21.966 1.00 0.00 H new ATOM 1279 N ILE A 89 5.333 18.591 21.835 1.00 0.00 N ATOM 1280 CA ILE A 89 6.769 18.668 22.178 1.00 0.00 C ATOM 1281 C ILE A 89 7.612 18.512 20.912 1.00 0.00 C ATOM 1282 O ILE A 89 7.260 17.787 20.003 1.00 0.00 O ATOM 1283 CB ILE A 89 7.099 17.540 23.146 1.00 0.00 C ATOM 1284 CG1 ILE A 89 6.287 17.709 24.433 1.00 0.00 C ATOM 1285 CG2 ILE A 89 8.583 17.587 23.468 1.00 0.00 C ATOM 1286 CD1 ILE A 89 6.412 19.149 24.934 1.00 0.00 C ATOM 0 H ILE A 89 5.055 17.759 21.314 1.00 0.00 H new ATOM 0 HA ILE A 89 6.988 19.633 22.635 1.00 0.00 H new ATOM 0 HB ILE A 89 6.849 16.581 22.693 1.00 0.00 H new ATOM 0 HG12 ILE A 89 5.240 17.467 24.249 1.00 0.00 H new ATOM 0 HG13 ILE A 89 6.645 17.016 25.194 1.00 0.00 H new ATOM 0 HG21 ILE A 89 8.831 16.783 24.161 1.00 0.00 H new ATOM 0 HG22 ILE A 89 9.158 17.465 22.550 1.00 0.00 H new ATOM 0 HG23 ILE A 89 8.826 18.547 23.924 1.00 0.00 H new ATOM 0 HD11 ILE A 89 5.833 19.267 25.850 1.00 0.00 H new ATOM 0 HD12 ILE A 89 7.459 19.375 25.135 1.00 0.00 H new ATOM 0 HD13 ILE A 89 6.033 19.833 24.175 1.00 0.00 H new ATOM 1298 N MET A 90 8.730 19.181 20.852 1.00 0.00 N ATOM 1299 CA MET A 90 9.605 19.066 19.653 1.00 0.00 C ATOM 1300 C MET A 90 10.721 18.067 19.943 1.00 0.00 C ATOM 1301 O MET A 90 11.820 18.433 20.309 1.00 0.00 O ATOM 1302 CB MET A 90 10.223 20.423 19.328 1.00 0.00 C ATOM 1303 CG MET A 90 10.435 20.549 17.815 1.00 0.00 C ATOM 1304 SD MET A 90 11.191 19.037 17.164 1.00 0.00 S ATOM 1305 CE MET A 90 10.161 18.897 15.684 1.00 0.00 C ATOM 0 H MET A 90 9.075 19.803 21.583 1.00 0.00 H new ATOM 0 HA MET A 90 9.010 18.728 18.805 1.00 0.00 H new ATOM 0 HB2 MET A 90 9.572 21.223 19.681 1.00 0.00 H new ATOM 0 HB3 MET A 90 11.175 20.533 19.848 1.00 0.00 H new ATOM 0 HG2 MET A 90 9.481 20.730 17.320 1.00 0.00 H new ATOM 0 HG3 MET A 90 11.073 21.406 17.600 1.00 0.00 H new ATOM 0 HE1 MET A 90 10.703 18.349 14.914 1.00 0.00 H new ATOM 0 HE2 MET A 90 9.242 18.365 15.929 1.00 0.00 H new ATOM 0 HE3 MET A 90 9.916 19.893 15.316 1.00 0.00 H new ATOM 1315 N THR A 91 10.445 16.810 19.780 1.00 0.00 N ATOM 1316 CA THR A 91 11.482 15.776 20.043 1.00 0.00 C ATOM 1317 C THR A 91 12.395 15.656 18.820 1.00 0.00 C ATOM 1318 O THR A 91 11.997 15.983 17.719 1.00 0.00 O ATOM 1319 CB THR A 91 10.803 14.430 20.309 1.00 0.00 C ATOM 1320 OG1 THR A 91 10.487 13.808 19.072 1.00 0.00 O ATOM 1321 CG2 THR A 91 9.521 14.654 21.112 1.00 0.00 C ATOM 0 H THR A 91 9.541 16.449 19.474 1.00 0.00 H new ATOM 0 HA THR A 91 12.073 16.061 20.914 1.00 0.00 H new ATOM 0 HB THR A 91 11.477 13.788 20.876 1.00 0.00 H new ATOM 0 HG1 THR A 91 9.852 13.077 19.226 1.00 0.00 H new ATOM 0 HG21 THR A 91 9.038 13.695 21.301 1.00 0.00 H new ATOM 0 HG22 THR A 91 9.765 15.131 22.061 1.00 0.00 H new ATOM 0 HG23 THR A 91 8.845 15.296 20.547 1.00 0.00 H new ATOM 1329 N PRO A 92 13.594 15.185 19.049 1.00 0.00 N ATOM 1330 CA PRO A 92 14.582 15.008 17.972 1.00 0.00 C ATOM 1331 C PRO A 92 14.022 14.069 16.900 1.00 0.00 C ATOM 1332 O PRO A 92 14.533 13.990 15.801 1.00 0.00 O ATOM 1333 CB PRO A 92 15.807 14.389 18.659 1.00 0.00 C ATOM 1334 CG PRO A 92 15.493 14.285 20.174 1.00 0.00 C ATOM 1335 CD PRO A 92 14.059 14.791 20.391 1.00 0.00 C ATOM 0 HA PRO A 92 14.831 15.944 17.472 1.00 0.00 H new ATOM 0 HB2 PRO A 92 16.022 13.404 18.244 1.00 0.00 H new ATOM 0 HB3 PRO A 92 16.691 15.005 18.493 1.00 0.00 H new ATOM 0 HG2 PRO A 92 15.590 13.254 20.515 1.00 0.00 H new ATOM 0 HG3 PRO A 92 16.200 14.880 20.753 1.00 0.00 H new ATOM 0 HD2 PRO A 92 13.425 14.014 20.817 1.00 0.00 H new ATOM 0 HD3 PRO A 92 14.037 15.634 21.081 1.00 0.00 H new ATOM 1343 N GLU A 93 12.970 13.361 17.213 1.00 0.00 N ATOM 1344 CA GLU A 93 12.372 12.433 16.215 1.00 0.00 C ATOM 1345 C GLU A 93 11.642 13.245 15.142 1.00 0.00 C ATOM 1346 O GLU A 93 11.715 12.944 13.967 1.00 0.00 O ATOM 1347 CB GLU A 93 11.380 11.501 16.914 1.00 0.00 C ATOM 1348 CG GLU A 93 12.143 10.516 17.802 1.00 0.00 C ATOM 1349 CD GLU A 93 12.420 9.232 17.019 1.00 0.00 C ATOM 1350 OE1 GLU A 93 11.618 8.899 16.162 1.00 0.00 O ATOM 1351 OE2 GLU A 93 13.429 8.602 17.290 1.00 0.00 O ATOM 0 H GLU A 93 12.500 13.386 18.118 1.00 0.00 H new ATOM 0 HA GLU A 93 13.160 11.840 15.751 1.00 0.00 H new ATOM 0 HB2 GLU A 93 10.680 12.082 17.515 1.00 0.00 H new ATOM 0 HB3 GLU A 93 10.791 10.959 16.174 1.00 0.00 H new ATOM 0 HG2 GLU A 93 13.081 10.961 18.135 1.00 0.00 H new ATOM 0 HG3 GLU A 93 11.562 10.291 18.696 1.00 0.00 H new ATOM 1358 N LEU A 94 10.938 14.273 15.535 1.00 0.00 N ATOM 1359 CA LEU A 94 10.208 15.099 14.531 1.00 0.00 C ATOM 1360 C LEU A 94 11.147 16.170 13.972 1.00 0.00 C ATOM 1361 O LEU A 94 11.961 16.725 14.682 1.00 0.00 O ATOM 1362 CB LEU A 94 9.009 15.773 15.202 1.00 0.00 C ATOM 1363 CG LEU A 94 8.017 14.707 15.668 1.00 0.00 C ATOM 1364 CD1 LEU A 94 8.413 14.215 17.061 1.00 0.00 C ATOM 1365 CD2 LEU A 94 6.611 15.309 15.721 1.00 0.00 C ATOM 0 H LEU A 94 10.837 14.575 16.504 1.00 0.00 H new ATOM 0 HA LEU A 94 9.860 14.461 13.719 1.00 0.00 H new ATOM 0 HB2 LEU A 94 9.342 16.370 16.051 1.00 0.00 H new ATOM 0 HB3 LEU A 94 8.524 16.455 14.503 1.00 0.00 H new ATOM 0 HG LEU A 94 8.029 13.870 14.970 1.00 0.00 H new ATOM 0 HD11 LEU A 94 7.706 13.455 17.393 1.00 0.00 H new ATOM 0 HD12 LEU A 94 9.415 13.787 17.025 1.00 0.00 H new ATOM 0 HD13 LEU A 94 8.401 15.052 17.759 1.00 0.00 H new ATOM 0 HD21 LEU A 94 5.903 14.550 16.053 1.00 0.00 H new ATOM 0 HD22 LEU A 94 6.600 16.146 16.419 1.00 0.00 H new ATOM 0 HD23 LEU A 94 6.328 15.660 14.729 1.00 0.00 H new ATOM 1377 N ASP A 95 11.042 16.467 12.705 1.00 0.00 N ATOM 1378 CA ASP A 95 11.931 17.504 12.109 1.00 0.00 C ATOM 1379 C ASP A 95 11.123 18.393 11.160 1.00 0.00 C ATOM 1380 O ASP A 95 10.461 17.916 10.259 1.00 0.00 O ATOM 1381 CB ASP A 95 13.061 16.824 11.332 1.00 0.00 C ATOM 1382 CG ASP A 95 13.506 15.564 12.078 1.00 0.00 C ATOM 1383 OD1 ASP A 95 14.166 15.703 13.095 1.00 0.00 O ATOM 1384 OD2 ASP A 95 13.180 14.482 11.619 1.00 0.00 O ATOM 0 H ASP A 95 10.380 16.037 12.058 1.00 0.00 H new ATOM 0 HA ASP A 95 12.354 18.116 12.905 1.00 0.00 H new ATOM 0 HB2 ASP A 95 12.723 16.565 10.329 1.00 0.00 H new ATOM 0 HB3 ASP A 95 13.902 17.508 11.218 1.00 0.00 H new ATOM 1389 N GLY A 96 11.172 19.684 11.354 1.00 0.00 N ATOM 1390 CA GLY A 96 10.407 20.602 10.464 1.00 0.00 C ATOM 1391 C GLY A 96 8.912 20.410 10.703 1.00 0.00 C ATOM 1392 O GLY A 96 8.144 20.245 9.777 1.00 0.00 O ATOM 0 H GLY A 96 11.709 20.142 12.091 1.00 0.00 H new ATOM 0 HA2 GLY A 96 10.688 21.636 10.662 1.00 0.00 H new ATOM 0 HA3 GLY A 96 10.649 20.400 9.421 1.00 0.00 H new ATOM 1396 N ILE A 97 8.488 20.435 11.938 1.00 0.00 N ATOM 1397 CA ILE A 97 7.039 20.251 12.222 1.00 0.00 C ATOM 1398 C ILE A 97 6.308 21.555 11.922 1.00 0.00 C ATOM 1399 O ILE A 97 6.875 22.626 12.006 1.00 0.00 O ATOM 1400 CB ILE A 97 6.845 19.863 13.694 1.00 0.00 C ATOM 1401 CG1 ILE A 97 5.369 20.060 14.094 1.00 0.00 C ATOM 1402 CG2 ILE A 97 7.763 20.716 14.577 1.00 0.00 C ATOM 1403 CD1 ILE A 97 5.135 21.464 14.670 1.00 0.00 C ATOM 0 H ILE A 97 9.080 20.574 12.757 1.00 0.00 H new ATOM 0 HA ILE A 97 6.636 19.455 11.596 1.00 0.00 H new ATOM 0 HB ILE A 97 7.105 18.814 13.833 1.00 0.00 H new ATOM 0 HG12 ILE A 97 4.730 19.909 13.224 1.00 0.00 H new ATOM 0 HG13 ILE A 97 5.086 19.309 14.831 1.00 0.00 H new ATOM 0 HG21 ILE A 97 7.623 20.439 15.622 1.00 0.00 H new ATOM 0 HG22 ILE A 97 8.801 20.547 14.292 1.00 0.00 H new ATOM 0 HG23 ILE A 97 7.518 21.770 14.446 1.00 0.00 H new ATOM 0 HD11 ILE A 97 4.086 21.575 14.943 1.00 0.00 H new ATOM 0 HD12 ILE A 97 5.757 21.603 15.554 1.00 0.00 H new ATOM 0 HD13 ILE A 97 5.396 22.212 13.922 1.00 0.00 H new ATOM 1415 N VAL A 98 5.057 21.483 11.560 1.00 0.00 N ATOM 1416 CA VAL A 98 4.322 22.733 11.249 1.00 0.00 C ATOM 1417 C VAL A 98 3.093 22.864 12.146 1.00 0.00 C ATOM 1418 O VAL A 98 2.082 22.224 11.933 1.00 0.00 O ATOM 1419 CB VAL A 98 3.877 22.712 9.789 1.00 0.00 C ATOM 1420 CG1 VAL A 98 3.459 24.121 9.368 1.00 0.00 C ATOM 1421 CG2 VAL A 98 5.035 22.237 8.909 1.00 0.00 C ATOM 0 H VAL A 98 4.520 20.621 11.468 1.00 0.00 H new ATOM 0 HA VAL A 98 4.983 23.582 11.424 1.00 0.00 H new ATOM 0 HB VAL A 98 3.033 22.032 9.674 1.00 0.00 H new ATOM 0 HG11 VAL A 98 3.141 24.110 8.326 1.00 0.00 H new ATOM 0 HG12 VAL A 98 2.634 24.459 9.996 1.00 0.00 H new ATOM 0 HG13 VAL A 98 4.304 24.800 9.482 1.00 0.00 H new ATOM 0 HG21 VAL A 98 4.717 22.222 7.866 1.00 0.00 H new ATOM 0 HG22 VAL A 98 5.880 22.917 9.021 1.00 0.00 H new ATOM 0 HG23 VAL A 98 5.334 21.233 9.212 1.00 0.00 H new ATOM 1431 N VAL A 99 3.161 23.719 13.124 1.00 0.00 N ATOM 1432 CA VAL A 99 1.991 23.932 14.010 1.00 0.00 C ATOM 1433 C VAL A 99 1.283 25.187 13.520 1.00 0.00 C ATOM 1434 O VAL A 99 1.915 26.110 13.054 1.00 0.00 O ATOM 1435 CB VAL A 99 2.442 24.121 15.464 1.00 0.00 C ATOM 1436 CG1 VAL A 99 2.446 22.767 16.174 1.00 0.00 C ATOM 1437 CG2 VAL A 99 3.851 24.718 15.503 1.00 0.00 C ATOM 0 H VAL A 99 3.982 24.282 13.348 1.00 0.00 H new ATOM 0 HA VAL A 99 1.327 23.068 13.979 1.00 0.00 H new ATOM 0 HB VAL A 99 1.752 24.799 15.966 1.00 0.00 H new ATOM 0 HG11 VAL A 99 2.766 22.899 17.207 1.00 0.00 H new ATOM 0 HG12 VAL A 99 1.442 22.344 16.157 1.00 0.00 H new ATOM 0 HG13 VAL A 99 3.133 22.091 15.665 1.00 0.00 H new ATOM 0 HG21 VAL A 99 4.162 24.848 16.539 1.00 0.00 H new ATOM 0 HG22 VAL A 99 4.545 24.046 14.997 1.00 0.00 H new ATOM 0 HG23 VAL A 99 3.851 25.685 15.000 1.00 0.00 H new ATOM 1447 N ASP A 100 -0.012 25.236 13.595 1.00 0.00 N ATOM 1448 CA ASP A 100 -0.719 26.450 13.105 1.00 0.00 C ATOM 1449 C ASP A 100 -1.561 27.041 14.225 1.00 0.00 C ATOM 1450 O ASP A 100 -1.649 26.499 15.309 1.00 0.00 O ATOM 1451 CB ASP A 100 -1.624 26.088 11.924 1.00 0.00 C ATOM 1452 CG ASP A 100 -0.830 25.284 10.891 1.00 0.00 C ATOM 1453 OD1 ASP A 100 -0.022 24.466 11.298 1.00 0.00 O ATOM 1454 OD2 ASP A 100 -1.044 25.502 9.710 1.00 0.00 O ATOM 0 H ASP A 100 -0.609 24.498 13.969 1.00 0.00 H new ATOM 0 HA ASP A 100 0.020 27.182 12.780 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -2.478 25.507 12.273 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -2.021 26.994 11.467 1.00 0.00 H new ATOM 1459 N VAL A 101 -2.182 28.152 13.969 1.00 0.00 N ATOM 1460 CA VAL A 101 -3.027 28.784 15.021 1.00 0.00 C ATOM 1461 C VAL A 101 -4.501 28.628 14.635 1.00 0.00 C ATOM 1462 O VAL A 101 -4.842 28.671 13.469 1.00 0.00 O ATOM 1463 CB VAL A 101 -2.657 30.274 15.158 1.00 0.00 C ATOM 1464 CG1 VAL A 101 -3.685 31.007 16.021 1.00 0.00 C ATOM 1465 CG2 VAL A 101 -1.277 30.393 15.808 1.00 0.00 C ATOM 0 H VAL A 101 -2.144 28.652 13.081 1.00 0.00 H new ATOM 0 HA VAL A 101 -2.856 28.297 15.981 1.00 0.00 H new ATOM 0 HB VAL A 101 -2.646 30.725 14.166 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -3.406 32.057 16.106 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -4.669 30.929 15.559 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -3.713 30.558 17.014 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -1.011 31.445 15.907 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -1.298 29.930 16.794 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -0.537 29.889 15.186 1.00 0.00 H new ATOM 1475 N PRO A 102 -5.330 28.429 15.629 1.00 0.00 N ATOM 1476 CA PRO A 102 -6.775 28.236 15.426 1.00 0.00 C ATOM 1477 C PRO A 102 -7.385 29.382 14.622 1.00 0.00 C ATOM 1478 O PRO A 102 -6.749 30.381 14.370 1.00 0.00 O ATOM 1479 CB PRO A 102 -7.371 28.221 16.827 1.00 0.00 C ATOM 1480 CG PRO A 102 -6.195 28.237 17.833 1.00 0.00 C ATOM 1481 CD PRO A 102 -4.897 28.384 17.037 1.00 0.00 C ATOM 0 HA PRO A 102 -6.975 27.321 14.868 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -8.017 29.086 16.978 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -7.987 27.334 16.972 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -6.306 29.062 18.537 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -6.181 27.318 18.419 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -4.361 29.291 17.316 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -4.223 27.547 17.218 1.00 0.00 H new ATOM 1489 N ASP A 103 -8.628 29.253 14.244 1.00 0.00 N ATOM 1490 CA ASP A 103 -9.292 30.347 13.485 1.00 0.00 C ATOM 1491 C ASP A 103 -9.774 31.400 14.480 1.00 0.00 C ATOM 1492 O ASP A 103 -10.051 32.529 14.129 1.00 0.00 O ATOM 1493 CB ASP A 103 -10.484 29.787 12.706 1.00 0.00 C ATOM 1494 CG ASP A 103 -10.215 29.907 11.204 1.00 0.00 C ATOM 1495 OD1 ASP A 103 -10.063 31.023 10.737 1.00 0.00 O ATOM 1496 OD2 ASP A 103 -10.165 28.880 10.548 1.00 0.00 O ATOM 0 H ASP A 103 -9.211 28.437 14.429 1.00 0.00 H new ATOM 0 HA ASP A 103 -8.591 30.792 12.779 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -10.649 28.744 12.974 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -11.391 30.331 12.968 1.00 0.00 H new ATOM 1501 N ARG A 104 -9.860 31.031 15.725 1.00 0.00 N ATOM 1502 CA ARG A 104 -10.307 31.991 16.771 1.00 0.00 C ATOM 1503 C ARG A 104 -9.295 31.979 17.917 1.00 0.00 C ATOM 1504 O ARG A 104 -9.221 31.036 18.679 1.00 0.00 O ATOM 1505 CB ARG A 104 -11.677 31.571 17.306 1.00 0.00 C ATOM 1506 CG ARG A 104 -12.639 32.756 17.219 1.00 0.00 C ATOM 1507 CD ARG A 104 -13.296 32.763 15.842 1.00 0.00 C ATOM 1508 NE ARG A 104 -12.409 33.483 14.877 1.00 0.00 N ATOM 1509 CZ ARG A 104 -12.005 34.702 15.110 1.00 0.00 C ATOM 1510 NH1 ARG A 104 -12.501 35.382 16.108 1.00 0.00 N ATOM 1511 NH2 ARG A 104 -11.134 35.261 14.314 1.00 0.00 N ATOM 0 H ARG A 104 -9.638 30.096 16.067 1.00 0.00 H new ATOM 0 HA ARG A 104 -10.379 32.991 16.343 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -12.064 30.731 16.729 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -11.589 31.234 18.339 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -13.398 32.683 17.998 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -12.102 33.690 17.384 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -13.469 31.741 15.503 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -14.270 33.251 15.893 1.00 0.00 H new ATOM 0 HE ARG A 104 -12.114 33.013 14.021 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -13.208 34.961 16.711 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -12.181 36.334 16.285 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -10.771 34.745 13.512 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -10.817 36.214 14.494 1.00 0.00 H new ATOM 1525 N GLN A 105 -8.512 33.013 18.046 1.00 0.00 N ATOM 1526 CA GLN A 105 -7.506 33.044 19.144 1.00 0.00 C ATOM 1527 C GLN A 105 -8.190 33.438 20.456 1.00 0.00 C ATOM 1528 O GLN A 105 -7.548 33.615 21.472 1.00 0.00 O ATOM 1529 CB GLN A 105 -6.416 34.064 18.810 1.00 0.00 C ATOM 1530 CG GLN A 105 -7.061 35.346 18.279 1.00 0.00 C ATOM 1531 CD GLN A 105 -6.060 36.498 18.373 1.00 0.00 C ATOM 1532 OE1 GLN A 105 -5.489 36.739 19.419 1.00 0.00 O ATOM 1533 NE2 GLN A 105 -5.821 37.227 17.318 1.00 0.00 N ATOM 0 H GLN A 105 -8.524 33.835 17.442 1.00 0.00 H new ATOM 0 HA GLN A 105 -7.058 32.056 19.252 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -5.824 34.283 19.699 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -5.734 33.653 18.066 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -7.375 35.206 17.244 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -7.956 35.580 18.855 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -6.299 37.026 16.440 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -5.156 37.998 17.371 1.00 0.00 H new ATOM 1542 N TRP A 106 -9.488 33.576 20.444 1.00 0.00 N ATOM 1543 CA TRP A 106 -10.207 33.957 21.692 1.00 0.00 C ATOM 1544 C TRP A 106 -9.683 35.305 22.192 1.00 0.00 C ATOM 1545 O TRP A 106 -10.179 36.319 21.732 1.00 0.00 O ATOM 1546 CB TRP A 106 -9.971 32.889 22.762 1.00 0.00 C ATOM 1547 CG TRP A 106 -10.945 31.771 22.573 1.00 0.00 C ATOM 1548 CD1 TRP A 106 -10.648 30.562 22.043 1.00 0.00 C ATOM 1549 CD2 TRP A 106 -12.364 31.735 22.903 1.00 0.00 C ATOM 1550 NE1 TRP A 106 -11.793 29.786 22.028 1.00 0.00 N ATOM 1551 CE2 TRP A 106 -12.878 30.465 22.548 1.00 0.00 C ATOM 1552 CE3 TRP A 106 -13.246 32.672 23.471 1.00 0.00 C ATOM 1553 CZ2 TRP A 106 -14.219 30.137 22.749 1.00 0.00 C ATOM 1554 CZ3 TRP A 106 -14.596 32.345 23.675 1.00 0.00 C ATOM 1555 CH2 TRP A 106 -15.082 31.080 23.315 1.00 0.00 C ATOM 1556 OXT TRP A 106 -8.793 35.299 23.028 1.00 0.00 O ATOM 0 H TRP A 106 -10.081 33.441 19.625 1.00 0.00 H new ATOM 0 HA TRP A 106 -11.275 34.036 21.487 1.00 0.00 H new ATOM 0 HB2 TRP A 106 -8.951 32.512 22.696 1.00 0.00 H new ATOM 0 HB3 TRP A 106 -10.087 33.322 23.755 1.00 0.00 H new ATOM 0 HD1 TRP A 106 -9.675 30.253 21.689 1.00 0.00 H new ATOM 0 HE1 TRP A 106 -11.832 28.829 21.676 1.00 0.00 H new ATOM 0 HE3 TRP A 106 -12.882 33.649 23.752 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 -14.588 29.161 22.469 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 -15.264 33.072 24.112 1.00 0.00 H new ATOM 0 HH2 TRP A 106 -16.122 30.834 23.475 1.00 0.00 H new TER 1567 TRP A 106 HETATM 1568 FE1 FES A 107 -4.634 26.095 27.898 1.00 0.00 FE HETATM 1569 FE2 FES A 107 -3.574 24.380 26.133 1.00 0.00 FE HETATM 1570 S1 FES A 107 -5.300 24.046 27.457 1.00 0.00 S HETATM 1571 S2 FES A 107 -2.837 26.383 26.666 1.00 0.00 S