USER MOD reduce.3.24.130724 H: found=0, std=0, add=383, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 381 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 5 GLN : amide:sc= 1.63 K(o=2.8,f=0.53) USER MOD Set 1.2: A 15 GLN : amide:sc= 1.14 K(o=2.8,f=-4.4!) USER MOD Single : A 1 GLY N :NH3+ -174:sc= 1.02 (180deg=0.988) USER MOD Single : A 8 THR OG1 : rot -76:sc= 0.23 USER MOD Single : A 9 SER OG : rot 180:sc= 0.23 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 156:sc= 0.0702 USER MOD Single : A 18 ASN : amide:sc= 0.47 X(o=0.47,f=0) USER MOD Single : A 19 TYR OH : rot 159:sc= 0.287 USER MOD Single : A 21 ASN : amide:sc= 0.761 K(o=0.76,f=0) USER MOD Single : B 1 PHE N :NH3+ -133:sc= 0.252 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= 0 X(o=0,f=-0.023) USER MOD Single : B 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 5 HIS : no HE2:sc= 0.863 K(o=0.86,f=-2.7!) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 HIS : no HD1:sc=-0.00678 X(o=-0.0068,f=-0.0068) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 THR OG1 : rot 180:sc= 0.00403 USER MOD Single : B 29 LYS NZ :NH3+ -166:sc= 1.19 (180deg=1.01) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.738 9.988 -1.779 1.00 0.00 N ATOM 2 CA GLY A 1 -1.864 8.536 -2.048 1.00 0.00 C ATOM 3 C GLY A 1 -1.066 8.096 -3.266 1.00 0.00 C ATOM 4 O GLY A 1 -0.452 8.923 -3.937 1.00 0.00 O ATOM 0 H1 GLY A 1 -2.216 10.218 -0.884 1.00 0.00 H new ATOM 0 H2 GLY A 1 -0.732 10.242 -1.710 1.00 0.00 H new ATOM 0 H3 GLY A 1 -2.178 10.524 -2.554 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -1.525 7.978 -1.175 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -2.915 8.288 -2.197 1.00 0.00 H new ATOM 10 N ILE A 2 -1.068 6.793 -3.577 1.00 0.00 N ATOM 11 CA ILE A 2 -0.137 6.196 -4.564 1.00 0.00 C ATOM 12 C ILE A 2 -0.241 6.784 -5.973 1.00 0.00 C ATOM 13 O ILE A 2 0.790 7.087 -6.558 1.00 0.00 O ATOM 14 CB ILE A 2 -0.211 4.646 -4.586 1.00 0.00 C ATOM 15 CG1 ILE A 2 -1.647 4.090 -4.752 1.00 0.00 C ATOM 16 CG2 ILE A 2 0.502 4.098 -3.340 1.00 0.00 C ATOM 17 CD1 ILE A 2 -1.708 2.568 -4.934 1.00 0.00 C ATOM 0 H ILE A 2 -1.709 6.119 -3.158 1.00 0.00 H new ATOM 0 HA ILE A 2 0.853 6.478 -4.206 1.00 0.00 H new ATOM 0 HB ILE A 2 0.306 4.294 -5.479 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -2.236 4.365 -3.877 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -2.114 4.568 -5.613 1.00 0.00 H new ATOM 0 HG21 ILE A 2 0.457 3.009 -3.344 1.00 0.00 H new ATOM 0 HG22 ILE A 2 1.544 4.418 -3.347 1.00 0.00 H new ATOM 0 HG23 ILE A 2 0.012 4.478 -2.444 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -2.747 2.256 -5.044 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -1.148 2.285 -5.826 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -1.272 2.080 -4.062 1.00 0.00 H new ATOM 29 N VAL A 3 -1.444 7.020 -6.501 1.00 0.00 N ATOM 30 CA VAL A 3 -1.643 7.586 -7.859 1.00 0.00 C ATOM 31 C VAL A 3 -1.007 8.982 -8.006 1.00 0.00 C ATOM 32 O VAL A 3 -0.568 9.347 -9.099 1.00 0.00 O ATOM 33 CB VAL A 3 -3.142 7.605 -8.250 1.00 0.00 C ATOM 34 CG1 VAL A 3 -3.442 8.318 -9.580 1.00 0.00 C ATOM 35 CG2 VAL A 3 -3.684 6.170 -8.348 1.00 0.00 C ATOM 0 H VAL A 3 -2.316 6.828 -6.007 1.00 0.00 H new ATOM 0 HA VAL A 3 -1.126 6.926 -8.556 1.00 0.00 H new ATOM 0 HB VAL A 3 -3.634 8.170 -7.458 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -4.514 8.285 -9.777 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -3.116 9.356 -9.518 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -2.909 7.819 -10.389 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -4.738 6.197 -8.623 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -3.125 5.621 -9.106 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -3.574 5.673 -7.384 1.00 0.00 H new ATOM 45 N GLU A 4 -0.897 9.738 -6.904 1.00 0.00 N ATOM 46 CA GLU A 4 -0.138 10.987 -6.852 1.00 0.00 C ATOM 47 C GLU A 4 1.358 10.668 -6.704 1.00 0.00 C ATOM 48 O GLU A 4 2.145 10.940 -7.611 1.00 0.00 O ATOM 49 CB GLU A 4 -0.642 11.862 -5.684 1.00 0.00 C ATOM 50 CG GLU A 4 -2.136 12.214 -5.756 1.00 0.00 C ATOM 51 CD GLU A 4 -2.619 12.793 -4.423 1.00 0.00 C ATOM 52 OE1 GLU A 4 -2.771 12.012 -3.456 1.00 0.00 O ATOM 53 OE2 GLU A 4 -2.853 14.021 -4.333 1.00 0.00 O ATOM 0 H GLU A 4 -1.338 9.494 -6.017 1.00 0.00 H new ATOM 0 HA GLU A 4 -0.283 11.547 -7.776 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -0.448 11.342 -4.746 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -0.064 12.786 -5.662 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -2.307 12.935 -6.555 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -2.714 11.323 -6.002 1.00 0.00 H new ATOM 60 N GLN A 5 1.745 10.056 -5.574 1.00 0.00 N ATOM 61 CA GLN A 5 3.134 9.894 -5.138 1.00 0.00 C ATOM 62 C GLN A 5 3.982 9.129 -6.159 1.00 0.00 C ATOM 63 O GLN A 5 5.077 9.574 -6.491 1.00 0.00 O ATOM 64 CB GLN A 5 3.148 9.155 -3.786 1.00 0.00 C ATOM 65 CG GLN A 5 4.542 9.129 -3.129 1.00 0.00 C ATOM 66 CD GLN A 5 4.729 7.918 -2.209 1.00 0.00 C ATOM 67 OE1 GLN A 5 3.917 7.624 -1.340 1.00 0.00 O ATOM 68 NE2 GLN A 5 5.781 7.149 -2.394 1.00 0.00 N ATOM 0 H GLN A 5 1.076 9.649 -4.921 1.00 0.00 H new ATOM 0 HA GLN A 5 3.575 10.886 -5.039 1.00 0.00 H new ATOM 0 HB2 GLN A 5 2.442 9.635 -3.108 1.00 0.00 H new ATOM 0 HB3 GLN A 5 2.803 8.132 -3.934 1.00 0.00 H new ATOM 0 HG2 GLN A 5 5.307 9.114 -3.905 1.00 0.00 H new ATOM 0 HG3 GLN A 5 4.688 10.044 -2.555 1.00 0.00 H new ATOM 0 HE21 GLN A 5 6.464 7.384 -3.114 1.00 0.00 H new ATOM 0 HE22 GLN A 5 5.913 6.318 -1.817 1.00 0.00 H new ATOM 77 N CYS A 6 3.485 7.999 -6.670 1.00 0.00 N ATOM 78 CA CYS A 6 4.199 7.155 -7.628 1.00 0.00 C ATOM 79 C CYS A 6 4.451 7.834 -8.975 1.00 0.00 C ATOM 80 O CYS A 6 5.329 7.408 -9.730 1.00 0.00 O ATOM 81 CB CYS A 6 3.353 5.916 -7.914 1.00 0.00 C ATOM 82 SG CYS A 6 3.095 4.723 -6.582 1.00 0.00 S ATOM 0 H CYS A 6 2.562 7.641 -6.425 1.00 0.00 H new ATOM 0 HA CYS A 6 5.163 6.925 -7.174 1.00 0.00 H new ATOM 0 HB2 CYS A 6 2.373 6.254 -8.251 1.00 0.00 H new ATOM 0 HB3 CYS A 6 3.812 5.387 -8.749 1.00 0.00 H new ATOM 87 N CYS A 7 3.645 8.841 -9.314 1.00 0.00 N ATOM 88 CA CYS A 7 3.659 9.478 -10.631 1.00 0.00 C ATOM 89 C CYS A 7 4.399 10.831 -10.627 1.00 0.00 C ATOM 90 O CYS A 7 5.036 11.169 -11.628 1.00 0.00 O ATOM 91 CB CYS A 7 2.204 9.582 -11.121 1.00 0.00 C ATOM 92 SG CYS A 7 2.026 9.869 -12.902 1.00 0.00 S ATOM 0 H CYS A 7 2.957 9.241 -8.676 1.00 0.00 H new ATOM 0 HA CYS A 7 4.229 8.867 -11.331 1.00 0.00 H new ATOM 0 HB2 CYS A 7 1.680 8.662 -10.860 1.00 0.00 H new ATOM 0 HB3 CYS A 7 1.711 10.393 -10.585 1.00 0.00 H new ATOM 97 N THR A 8 4.373 11.580 -9.507 1.00 0.00 N ATOM 98 CA THR A 8 5.166 12.816 -9.304 1.00 0.00 C ATOM 99 C THR A 8 6.553 12.544 -8.718 1.00 0.00 C ATOM 100 O THR A 8 7.491 13.295 -8.983 1.00 0.00 O ATOM 101 CB THR A 8 4.421 13.808 -8.401 1.00 0.00 C ATOM 102 OG1 THR A 8 4.183 13.229 -7.135 1.00 0.00 O ATOM 103 CG2 THR A 8 3.092 14.237 -9.017 1.00 0.00 C ATOM 0 H THR A 8 3.792 11.342 -8.703 1.00 0.00 H new ATOM 0 HA THR A 8 5.301 13.249 -10.295 1.00 0.00 H new ATOM 0 HB THR A 8 5.051 14.691 -8.292 1.00 0.00 H new ATOM 0 HG1 THR A 8 3.449 12.583 -7.203 1.00 0.00 H new ATOM 0 HG21 THR A 8 2.592 14.939 -8.350 1.00 0.00 H new ATOM 0 HG22 THR A 8 3.275 14.717 -9.979 1.00 0.00 H new ATOM 0 HG23 THR A 8 2.459 13.362 -9.163 1.00 0.00 H new ATOM 111 N SER A 9 6.697 11.469 -7.958 1.00 0.00 N ATOM 112 CA SER A 9 7.938 11.007 -7.326 1.00 0.00 C ATOM 113 C SER A 9 8.037 9.473 -7.440 1.00 0.00 C ATOM 114 O SER A 9 7.410 8.866 -8.312 1.00 0.00 O ATOM 115 CB SER A 9 7.965 11.501 -5.869 1.00 0.00 C ATOM 116 OG SER A 9 9.245 11.313 -5.274 1.00 0.00 O ATOM 0 H SER A 9 5.909 10.856 -7.750 1.00 0.00 H new ATOM 0 HA SER A 9 8.812 11.418 -7.832 1.00 0.00 H new ATOM 0 HB2 SER A 9 7.701 12.558 -5.838 1.00 0.00 H new ATOM 0 HB3 SER A 9 7.212 10.967 -5.289 1.00 0.00 H new ATOM 0 HG SER A 9 9.227 11.639 -4.350 1.00 0.00 H new ATOM 122 N ILE A 10 8.849 8.828 -6.606 1.00 0.00 N ATOM 123 CA ILE A 10 8.983 7.367 -6.542 1.00 0.00 C ATOM 124 C ILE A 10 8.111 6.765 -5.434 1.00 0.00 C ATOM 125 O ILE A 10 7.770 7.430 -4.453 1.00 0.00 O ATOM 126 CB ILE A 10 10.468 6.960 -6.398 1.00 0.00 C ATOM 127 CG1 ILE A 10 11.139 7.598 -5.155 1.00 0.00 C ATOM 128 CG2 ILE A 10 11.219 7.291 -7.700 1.00 0.00 C ATOM 129 CD1 ILE A 10 12.559 7.088 -4.892 1.00 0.00 C ATOM 0 H ILE A 10 9.448 9.314 -5.939 1.00 0.00 H new ATOM 0 HA ILE A 10 8.617 6.954 -7.482 1.00 0.00 H new ATOM 0 HB ILE A 10 10.516 5.884 -6.232 1.00 0.00 H new ATOM 0 HG12 ILE A 10 11.169 8.680 -5.285 1.00 0.00 H new ATOM 0 HG13 ILE A 10 10.523 7.399 -4.278 1.00 0.00 H new ATOM 0 HG21 ILE A 10 12.266 7.004 -7.599 1.00 0.00 H new ATOM 0 HG22 ILE A 10 10.771 6.742 -8.528 1.00 0.00 H new ATOM 0 HG23 ILE A 10 11.153 8.361 -7.896 1.00 0.00 H new ATOM 0 HD11 ILE A 10 12.964 7.579 -4.007 1.00 0.00 H new ATOM 0 HD12 ILE A 10 12.534 6.010 -4.730 1.00 0.00 H new ATOM 0 HD13 ILE A 10 13.191 7.311 -5.752 1.00 0.00 H new ATOM 141 N CYS A 11 7.777 5.482 -5.571 1.00 0.00 N ATOM 142 CA CYS A 11 7.033 4.712 -4.569 1.00 0.00 C ATOM 143 C CYS A 11 7.439 3.237 -4.537 1.00 0.00 C ATOM 144 O CYS A 11 8.009 2.714 -5.496 1.00 0.00 O ATOM 145 CB CYS A 11 5.528 4.850 -4.830 1.00 0.00 C ATOM 146 SG CYS A 11 4.952 3.972 -6.302 1.00 0.00 S ATOM 0 H CYS A 11 8.020 4.936 -6.398 1.00 0.00 H new ATOM 0 HA CYS A 11 7.278 5.122 -3.590 1.00 0.00 H new ATOM 0 HB2 CYS A 11 4.984 4.478 -3.962 1.00 0.00 H new ATOM 0 HB3 CYS A 11 5.283 5.907 -4.931 1.00 0.00 H new ATOM 151 N SER A 12 7.135 2.557 -3.435 1.00 0.00 N ATOM 152 CA SER A 12 7.535 1.165 -3.176 1.00 0.00 C ATOM 153 C SER A 12 6.337 0.209 -3.232 1.00 0.00 C ATOM 154 O SER A 12 5.201 0.599 -2.946 1.00 0.00 O ATOM 155 CB SER A 12 8.208 1.062 -1.795 1.00 0.00 C ATOM 156 OG SER A 12 9.363 1.887 -1.727 1.00 0.00 O ATOM 0 H SER A 12 6.590 2.963 -2.674 1.00 0.00 H new ATOM 0 HA SER A 12 8.238 0.873 -3.957 1.00 0.00 H new ATOM 0 HB2 SER A 12 7.501 1.356 -1.019 1.00 0.00 H new ATOM 0 HB3 SER A 12 8.485 0.026 -1.598 1.00 0.00 H new ATOM 0 HG SER A 12 9.771 1.806 -0.840 1.00 0.00 H new ATOM 162 N LEU A 13 6.572 -1.079 -3.517 1.00 0.00 N ATOM 163 CA LEU A 13 5.517 -2.100 -3.553 1.00 0.00 C ATOM 164 C LEU A 13 4.809 -2.246 -2.199 1.00 0.00 C ATOM 165 O LEU A 13 3.607 -2.478 -2.154 1.00 0.00 O ATOM 166 CB LEU A 13 6.114 -3.445 -4.001 1.00 0.00 C ATOM 167 CG LEU A 13 6.739 -3.479 -5.416 1.00 0.00 C ATOM 168 CD1 LEU A 13 7.042 -4.935 -5.793 1.00 0.00 C ATOM 169 CD2 LEU A 13 5.868 -2.840 -6.513 1.00 0.00 C ATOM 0 H LEU A 13 7.501 -1.443 -3.729 1.00 0.00 H new ATOM 0 HA LEU A 13 4.763 -1.780 -4.272 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.879 -3.736 -3.282 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.329 -4.200 -3.955 1.00 0.00 H new ATOM 0 HG LEU A 13 7.646 -2.877 -5.365 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.483 -4.969 -6.789 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.741 -5.360 -5.072 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.118 -5.513 -5.786 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.382 -2.908 -7.472 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.916 -3.367 -6.574 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.688 -1.793 -6.271 1.00 0.00 H new ATOM 181 N TYR A 14 5.521 -2.011 -1.096 1.00 0.00 N ATOM 182 CA TYR A 14 4.937 -1.930 0.247 1.00 0.00 C ATOM 183 C TYR A 14 3.900 -0.799 0.401 1.00 0.00 C ATOM 184 O TYR A 14 2.953 -0.911 1.183 1.00 0.00 O ATOM 185 CB TYR A 14 6.066 -1.710 1.263 1.00 0.00 C ATOM 186 CG TYR A 14 7.108 -2.812 1.367 1.00 0.00 C ATOM 187 CD1 TYR A 14 6.719 -4.149 1.584 1.00 0.00 C ATOM 188 CD2 TYR A 14 8.480 -2.489 1.297 1.00 0.00 C ATOM 189 CE1 TYR A 14 7.691 -5.157 1.727 1.00 0.00 C ATOM 190 CE2 TYR A 14 9.458 -3.488 1.454 1.00 0.00 C ATOM 191 CZ TYR A 14 9.064 -4.826 1.675 1.00 0.00 C ATOM 192 OH TYR A 14 10.004 -5.798 1.848 1.00 0.00 O ATOM 0 H TYR A 14 6.531 -1.870 -1.108 1.00 0.00 H new ATOM 0 HA TYR A 14 4.410 -2.868 0.423 1.00 0.00 H new ATOM 0 HB2 TYR A 14 6.576 -0.781 1.010 1.00 0.00 H new ATOM 0 HB3 TYR A 14 5.618 -1.570 2.247 1.00 0.00 H new ATOM 0 HD1 TYR A 14 5.670 -4.401 1.641 1.00 0.00 H new ATOM 0 HD2 TYR A 14 8.782 -1.467 1.122 1.00 0.00 H new ATOM 0 HE1 TYR A 14 7.388 -6.183 1.876 1.00 0.00 H new ATOM 0 HE2 TYR A 14 10.506 -3.233 1.406 1.00 0.00 H new ATOM 0 HH TYR A 14 10.841 -5.524 1.417 1.00 0.00 H new ATOM 202 N GLN A 15 4.066 0.289 -0.351 1.00 0.00 N ATOM 203 CA GLN A 15 3.140 1.424 -0.363 1.00 0.00 C ATOM 204 C GLN A 15 1.949 1.128 -1.278 1.00 0.00 C ATOM 205 O GLN A 15 0.826 1.483 -0.928 1.00 0.00 O ATOM 206 CB GLN A 15 3.872 2.709 -0.785 1.00 0.00 C ATOM 207 CG GLN A 15 4.983 3.106 0.210 1.00 0.00 C ATOM 208 CD GLN A 15 5.823 4.290 -0.268 1.00 0.00 C ATOM 209 OE1 GLN A 15 6.127 4.435 -1.449 1.00 0.00 O ATOM 210 NE2 GLN A 15 6.248 5.169 0.615 1.00 0.00 N ATOM 0 H GLN A 15 4.860 0.409 -0.980 1.00 0.00 H new ATOM 0 HA GLN A 15 2.755 1.579 0.645 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.307 2.568 -1.774 1.00 0.00 H new ATOM 0 HB3 GLN A 15 3.153 3.524 -0.866 1.00 0.00 H new ATOM 0 HG2 GLN A 15 4.531 3.354 1.170 1.00 0.00 H new ATOM 0 HG3 GLN A 15 5.636 2.249 0.377 1.00 0.00 H new ATOM 0 HE21 GLN A 15 6.004 5.062 1.600 1.00 0.00 H new ATOM 0 HE22 GLN A 15 6.822 5.957 0.315 1.00 0.00 H new ATOM 219 N LEU A 16 2.151 0.398 -2.385 1.00 0.00 N ATOM 220 CA LEU A 16 1.042 -0.174 -3.161 1.00 0.00 C ATOM 221 C LEU A 16 0.223 -1.181 -2.331 1.00 0.00 C ATOM 222 O LEU A 16 -1.003 -1.165 -2.394 1.00 0.00 O ATOM 223 CB LEU A 16 1.553 -0.825 -4.462 1.00 0.00 C ATOM 224 CG LEU A 16 1.825 0.166 -5.609 1.00 0.00 C ATOM 225 CD1 LEU A 16 3.102 0.995 -5.423 1.00 0.00 C ATOM 226 CD2 LEU A 16 1.934 -0.599 -6.932 1.00 0.00 C ATOM 0 H LEU A 16 3.075 0.190 -2.763 1.00 0.00 H new ATOM 0 HA LEU A 16 0.378 0.648 -3.428 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.472 -1.370 -4.244 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.820 -1.558 -4.799 1.00 0.00 H new ATOM 0 HG LEU A 16 0.986 0.861 -5.612 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.225 1.669 -6.271 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.027 1.577 -4.505 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.963 0.329 -5.361 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.126 0.103 -7.743 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.752 -1.316 -6.871 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.001 -1.128 -7.124 1.00 0.00 H new ATOM 238 N GLU A 17 0.878 -2.017 -1.523 1.00 0.00 N ATOM 239 CA GLU A 17 0.239 -3.056 -0.701 1.00 0.00 C ATOM 240 C GLU A 17 -0.789 -2.490 0.297 1.00 0.00 C ATOM 241 O GLU A 17 -1.775 -3.156 0.615 1.00 0.00 O ATOM 242 CB GLU A 17 1.329 -3.873 0.015 1.00 0.00 C ATOM 243 CG GLU A 17 0.795 -5.151 0.663 1.00 0.00 C ATOM 244 CD GLU A 17 1.937 -5.970 1.283 1.00 0.00 C ATOM 245 OE1 GLU A 17 2.399 -5.621 2.393 1.00 0.00 O ATOM 246 OE2 GLU A 17 2.373 -6.973 0.669 1.00 0.00 O ATOM 0 H GLU A 17 1.892 -1.993 -1.417 1.00 0.00 H new ATOM 0 HA GLU A 17 -0.330 -3.706 -1.365 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.108 -4.134 -0.701 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.795 -3.253 0.780 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.066 -4.896 1.432 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.275 -5.752 -0.083 1.00 0.00 H new ATOM 253 N ASN A 18 -0.620 -1.243 0.752 1.00 0.00 N ATOM 254 CA ASN A 18 -1.569 -0.556 1.626 1.00 0.00 C ATOM 255 C ASN A 18 -2.931 -0.259 0.957 1.00 0.00 C ATOM 256 O ASN A 18 -3.911 0.004 1.658 1.00 0.00 O ATOM 257 CB ASN A 18 -0.903 0.726 2.142 1.00 0.00 C ATOM 258 CG ASN A 18 -0.099 0.487 3.419 1.00 0.00 C ATOM 259 OD1 ASN A 18 -0.545 0.811 4.517 1.00 0.00 O ATOM 260 ND2 ASN A 18 1.089 -0.086 3.339 1.00 0.00 N ATOM 0 H ASN A 18 0.195 -0.676 0.517 1.00 0.00 H new ATOM 0 HA ASN A 18 -1.811 -1.222 2.455 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -0.245 1.127 1.371 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -1.668 1.479 2.332 1.00 0.00 H new ATOM 0 HD21 ASN A 18 1.631 -0.257 4.186 1.00 0.00 H new ATOM 0 HD22 ASN A 18 1.464 -0.357 2.430 1.00 0.00 H new ATOM 267 N TYR A 19 -3.019 -0.328 -0.379 1.00 0.00 N ATOM 268 CA TYR A 19 -4.237 -0.127 -1.173 1.00 0.00 C ATOM 269 C TYR A 19 -4.873 -1.446 -1.669 1.00 0.00 C ATOM 270 O TYR A 19 -5.874 -1.422 -2.393 1.00 0.00 O ATOM 271 CB TYR A 19 -3.899 0.841 -2.317 1.00 0.00 C ATOM 272 CG TYR A 19 -3.695 2.274 -1.855 1.00 0.00 C ATOM 273 CD1 TYR A 19 -2.456 2.686 -1.330 1.00 0.00 C ATOM 274 CD2 TYR A 19 -4.761 3.192 -1.908 1.00 0.00 C ATOM 275 CE1 TYR A 19 -2.285 3.997 -0.851 1.00 0.00 C ATOM 276 CE2 TYR A 19 -4.597 4.512 -1.445 1.00 0.00 C ATOM 277 CZ TYR A 19 -3.357 4.917 -0.908 1.00 0.00 C ATOM 278 OH TYR A 19 -3.184 6.192 -0.462 1.00 0.00 O ATOM 0 H TYR A 19 -2.207 -0.535 -0.960 1.00 0.00 H new ATOM 0 HA TYR A 19 -5.009 0.308 -0.539 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -2.995 0.497 -2.819 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -4.702 0.815 -3.054 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -1.631 1.990 -1.295 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -5.715 2.881 -2.308 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -1.334 4.301 -0.439 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -5.418 5.212 -1.501 1.00 0.00 H new ATOM 0 HH TYR A 19 -3.867 6.773 -0.858 1.00 0.00 H new ATOM 288 N CYS A 20 -4.346 -2.606 -1.259 1.00 0.00 N ATOM 289 CA CYS A 20 -5.011 -3.907 -1.446 1.00 0.00 C ATOM 290 C CYS A 20 -6.309 -4.028 -0.622 1.00 0.00 C ATOM 291 O CYS A 20 -6.462 -3.395 0.428 1.00 0.00 O ATOM 292 CB CYS A 20 -4.055 -5.058 -1.102 1.00 0.00 C ATOM 293 SG CYS A 20 -2.534 -5.124 -2.083 1.00 0.00 S ATOM 0 H CYS A 20 -3.444 -2.672 -0.787 1.00 0.00 H new ATOM 0 HA CYS A 20 -5.287 -3.972 -2.498 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -3.785 -4.981 -0.049 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -4.589 -6.000 -1.226 1.00 0.00 H new ATOM 298 N ASN A 21 -7.235 -4.868 -1.094 1.00 0.00 N ATOM 299 CA ASN A 21 -8.504 -5.205 -0.429 1.00 0.00 C ATOM 300 C ASN A 21 -8.310 -6.224 0.716 1.00 0.00 C ATOM 301 O ASN A 21 -8.840 -5.982 1.824 1.00 0.00 O ATOM 302 CB ASN A 21 -9.481 -5.706 -1.512 1.00 0.00 C ATOM 303 CG ASN A 21 -10.789 -6.253 -0.961 1.00 0.00 C ATOM 304 OD1 ASN A 21 -11.586 -5.546 -0.355 1.00 0.00 O ATOM 305 ND2 ASN A 21 -11.056 -7.525 -1.163 1.00 0.00 N ATOM 306 OXT ASN A 21 -7.637 -7.258 0.498 1.00 0.00 O ATOM 0 H ASN A 21 -7.120 -5.352 -1.984 1.00 0.00 H new ATOM 0 HA ASN A 21 -8.919 -4.321 0.055 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -9.701 -4.886 -2.195 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -8.991 -6.485 -2.096 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -11.928 -7.925 -0.815 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -10.391 -8.112 -1.668 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 12.650 -6.588 -2.589 1.00 0.00 N ATOM 315 CA PHE B 1 11.641 -5.536 -2.886 1.00 0.00 C ATOM 316 C PHE B 1 12.190 -4.525 -3.908 1.00 0.00 C ATOM 317 O PHE B 1 13.351 -4.623 -4.307 1.00 0.00 O ATOM 318 CB PHE B 1 11.128 -4.862 -1.590 1.00 0.00 C ATOM 319 CG PHE B 1 12.155 -4.039 -0.821 1.00 0.00 C ATOM 320 CD1 PHE B 1 12.959 -4.647 0.165 1.00 0.00 C ATOM 321 CD2 PHE B 1 12.291 -2.659 -1.072 1.00 0.00 C ATOM 322 CE1 PHE B 1 13.900 -3.885 0.879 1.00 0.00 C ATOM 323 CE2 PHE B 1 13.235 -1.899 -0.358 1.00 0.00 C ATOM 324 CZ PHE B 1 14.041 -2.512 0.616 1.00 0.00 C ATOM 0 H1 PHE B 1 12.198 -7.524 -2.631 1.00 0.00 H new ATOM 0 H2 PHE B 1 13.416 -6.542 -3.290 1.00 0.00 H new ATOM 0 H3 PHE B 1 13.042 -6.435 -1.638 1.00 0.00 H new ATOM 0 HA PHE B 1 10.774 -6.011 -3.345 1.00 0.00 H new ATOM 0 HB2 PHE B 1 10.290 -4.215 -1.847 1.00 0.00 H new ATOM 0 HB3 PHE B 1 10.741 -5.637 -0.928 1.00 0.00 H new ATOM 0 HD1 PHE B 1 12.851 -5.701 0.372 1.00 0.00 H new ATOM 0 HD2 PHE B 1 11.668 -2.183 -1.815 1.00 0.00 H new ATOM 0 HE1 PHE B 1 14.516 -4.356 1.631 1.00 0.00 H new ATOM 0 HE2 PHE B 1 13.340 -0.843 -0.559 1.00 0.00 H new ATOM 0 HZ PHE B 1 14.768 -1.929 1.162 1.00 0.00 H new ATOM 336 N VAL B 2 11.377 -3.556 -4.352 1.00 0.00 N ATOM 337 CA VAL B 2 11.743 -2.551 -5.375 1.00 0.00 C ATOM 338 C VAL B 2 10.876 -1.284 -5.256 1.00 0.00 C ATOM 339 O VAL B 2 9.753 -1.339 -4.753 1.00 0.00 O ATOM 340 CB VAL B 2 11.693 -3.161 -6.805 1.00 0.00 C ATOM 341 CG1 VAL B 2 10.264 -3.505 -7.259 1.00 0.00 C ATOM 342 CG2 VAL B 2 12.370 -2.279 -7.867 1.00 0.00 C ATOM 0 H VAL B 2 10.424 -3.442 -4.006 1.00 0.00 H new ATOM 0 HA VAL B 2 12.773 -2.247 -5.190 1.00 0.00 H new ATOM 0 HB VAL B 2 12.262 -4.087 -6.722 1.00 0.00 H new ATOM 0 HG11 VAL B 2 10.293 -3.927 -8.264 1.00 0.00 H new ATOM 0 HG12 VAL B 2 9.829 -4.232 -6.573 1.00 0.00 H new ATOM 0 HG13 VAL B 2 9.656 -2.601 -7.263 1.00 0.00 H new ATOM 0 HG21 VAL B 2 12.299 -2.763 -8.841 1.00 0.00 H new ATOM 0 HG22 VAL B 2 11.872 -1.310 -7.906 1.00 0.00 H new ATOM 0 HG23 VAL B 2 13.419 -2.138 -7.608 1.00 0.00 H new ATOM 352 N ASN B 3 11.409 -0.149 -5.722 1.00 0.00 N ATOM 353 CA ASN B 3 10.706 1.130 -5.862 1.00 0.00 C ATOM 354 C ASN B 3 10.840 1.697 -7.289 1.00 0.00 C ATOM 355 O ASN B 3 11.837 1.453 -7.972 1.00 0.00 O ATOM 356 CB ASN B 3 11.201 2.123 -4.795 1.00 0.00 C ATOM 357 CG ASN B 3 12.650 2.555 -5.013 1.00 0.00 C ATOM 358 OD1 ASN B 3 12.931 3.505 -5.733 1.00 0.00 O ATOM 359 ND2 ASN B 3 13.607 1.866 -4.416 1.00 0.00 N ATOM 0 H ASN B 3 12.382 -0.095 -6.024 1.00 0.00 H new ATOM 0 HA ASN B 3 9.642 0.961 -5.698 1.00 0.00 H new ATOM 0 HB2 ASN B 3 10.560 3.004 -4.800 1.00 0.00 H new ATOM 0 HB3 ASN B 3 11.107 1.667 -3.810 1.00 0.00 H new ATOM 0 HD21 ASN B 3 14.584 2.125 -4.554 1.00 0.00 H new ATOM 0 HD22 ASN B 3 13.369 1.075 -3.817 1.00 0.00 H new ATOM 366 N GLN B 4 9.813 2.412 -7.751 1.00 0.00 N ATOM 367 CA GLN B 4 9.631 2.792 -9.160 1.00 0.00 C ATOM 368 C GLN B 4 8.867 4.123 -9.291 1.00 0.00 C ATOM 369 O GLN B 4 8.222 4.577 -8.346 1.00 0.00 O ATOM 370 CB GLN B 4 8.840 1.681 -9.889 1.00 0.00 C ATOM 371 CG GLN B 4 9.548 0.316 -9.963 1.00 0.00 C ATOM 372 CD GLN B 4 8.777 -0.678 -10.831 1.00 0.00 C ATOM 373 OE1 GLN B 4 9.118 -0.940 -11.979 1.00 0.00 O ATOM 374 NE2 GLN B 4 7.704 -1.262 -10.329 1.00 0.00 N ATOM 0 H GLN B 4 9.066 2.752 -7.146 1.00 0.00 H new ATOM 0 HA GLN B 4 10.617 2.918 -9.608 1.00 0.00 H new ATOM 0 HB2 GLN B 4 7.882 1.549 -9.386 1.00 0.00 H new ATOM 0 HB3 GLN B 4 8.624 2.016 -10.903 1.00 0.00 H new ATOM 0 HG2 GLN B 4 10.552 0.449 -10.367 1.00 0.00 H new ATOM 0 HG3 GLN B 4 9.660 -0.090 -8.958 1.00 0.00 H new ATOM 0 HE21 GLN B 4 7.409 -1.053 -9.375 1.00 0.00 H new ATOM 0 HE22 GLN B 4 7.170 -1.922 -10.895 1.00 0.00 H new ATOM 383 N HIS B 5 8.867 4.699 -10.497 1.00 0.00 N ATOM 384 CA HIS B 5 7.790 5.579 -10.957 1.00 0.00 C ATOM 385 C HIS B 5 6.671 4.729 -11.593 1.00 0.00 C ATOM 386 O HIS B 5 6.956 3.823 -12.383 1.00 0.00 O ATOM 387 CB HIS B 5 8.322 6.573 -12.000 1.00 0.00 C ATOM 388 CG HIS B 5 9.289 7.605 -11.485 1.00 0.00 C ATOM 389 ND1 HIS B 5 9.015 8.584 -10.561 1.00 0.00 N ATOM 390 CD2 HIS B 5 10.564 7.828 -11.939 1.00 0.00 C ATOM 391 CE1 HIS B 5 10.092 9.381 -10.456 1.00 0.00 C ATOM 392 NE2 HIS B 5 11.071 8.958 -11.277 1.00 0.00 N ATOM 0 H HIS B 5 9.613 4.568 -11.180 1.00 0.00 H new ATOM 0 HA HIS B 5 7.399 6.133 -10.104 1.00 0.00 H new ATOM 0 HB2 HIS B 5 8.810 6.010 -12.796 1.00 0.00 H new ATOM 0 HB3 HIS B 5 7.473 7.089 -12.449 1.00 0.00 H new ATOM 0 HD1 HIS B 5 8.143 8.688 -10.043 1.00 0.00 H new ATOM 0 HD2 HIS B 5 11.087 7.238 -12.677 1.00 0.00 H new ATOM 0 HE1 HIS B 5 10.162 10.240 -9.805 1.00 0.00 H new ATOM 400 N LEU B 6 5.406 5.034 -11.291 1.00 0.00 N ATOM 401 CA LEU B 6 4.219 4.301 -11.746 1.00 0.00 C ATOM 402 C LEU B 6 3.038 5.278 -11.889 1.00 0.00 C ATOM 403 O LEU B 6 2.804 6.103 -11.006 1.00 0.00 O ATOM 404 CB LEU B 6 3.878 3.169 -10.744 1.00 0.00 C ATOM 405 CG LEU B 6 4.853 1.978 -10.654 1.00 0.00 C ATOM 406 CD1 LEU B 6 4.445 1.085 -9.476 1.00 0.00 C ATOM 407 CD2 LEU B 6 4.858 1.146 -11.946 1.00 0.00 C ATOM 0 H LEU B 6 5.170 5.830 -10.699 1.00 0.00 H new ATOM 0 HA LEU B 6 4.419 3.847 -12.717 1.00 0.00 H new ATOM 0 HB2 LEU B 6 3.796 3.612 -9.751 1.00 0.00 H new ATOM 0 HB3 LEU B 6 2.893 2.778 -11.001 1.00 0.00 H new ATOM 0 HG LEU B 6 5.858 2.373 -10.507 1.00 0.00 H new ATOM 0 HD11 LEU B 6 5.130 0.240 -9.406 1.00 0.00 H new ATOM 0 HD12 LEU B 6 4.484 1.662 -8.552 1.00 0.00 H new ATOM 0 HD13 LEU B 6 3.431 0.718 -9.632 1.00 0.00 H new ATOM 0 HD21 LEU B 6 5.558 0.317 -11.842 1.00 0.00 H new ATOM 0 HD22 LEU B 6 3.857 0.756 -12.131 1.00 0.00 H new ATOM 0 HD23 LEU B 6 5.163 1.775 -12.783 1.00 0.00 H new ATOM 419 N CYS B 7 2.275 5.172 -12.978 1.00 0.00 N ATOM 420 CA CYS B 7 1.122 6.034 -13.281 1.00 0.00 C ATOM 421 C CYS B 7 -0.018 5.211 -13.899 1.00 0.00 C ATOM 422 O CYS B 7 0.233 4.270 -14.663 1.00 0.00 O ATOM 423 CB CYS B 7 1.553 7.129 -14.276 1.00 0.00 C ATOM 424 SG CYS B 7 2.905 8.250 -13.794 1.00 0.00 S ATOM 0 H CYS B 7 2.443 4.467 -13.695 1.00 0.00 H new ATOM 0 HA CYS B 7 0.769 6.486 -12.354 1.00 0.00 H new ATOM 0 HB2 CYS B 7 1.843 6.638 -15.205 1.00 0.00 H new ATOM 0 HB3 CYS B 7 0.678 7.740 -14.498 1.00 0.00 H new ATOM 429 N GLY B 8 -1.268 5.573 -13.595 1.00 0.00 N ATOM 430 CA GLY B 8 -2.472 5.119 -14.312 1.00 0.00 C ATOM 431 C GLY B 8 -2.590 3.600 -14.456 1.00 0.00 C ATOM 432 O GLY B 8 -2.530 2.860 -13.474 1.00 0.00 O ATOM 0 H GLY B 8 -1.480 6.206 -12.824 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -3.353 5.491 -13.789 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -2.478 5.567 -15.306 1.00 0.00 H new ATOM 436 N SER B 9 -2.753 3.131 -15.689 1.00 0.00 N ATOM 437 CA SER B 9 -2.934 1.706 -16.012 1.00 0.00 C ATOM 438 C SER B 9 -1.733 0.860 -15.567 1.00 0.00 C ATOM 439 O SER B 9 -1.908 -0.238 -15.048 1.00 0.00 O ATOM 440 CB SER B 9 -3.149 1.541 -17.524 1.00 0.00 C ATOM 441 OG SER B 9 -4.233 2.340 -17.981 1.00 0.00 O ATOM 0 H SER B 9 -2.764 3.735 -16.511 1.00 0.00 H new ATOM 0 HA SER B 9 -3.810 1.352 -15.468 1.00 0.00 H new ATOM 0 HB2 SER B 9 -2.239 1.820 -18.056 1.00 0.00 H new ATOM 0 HB3 SER B 9 -3.344 0.494 -17.754 1.00 0.00 H new ATOM 0 HG SER B 9 -4.346 2.217 -18.947 1.00 0.00 H new ATOM 447 N HIS B 10 -0.511 1.388 -15.680 1.00 0.00 N ATOM 448 CA HIS B 10 0.709 0.699 -15.257 1.00 0.00 C ATOM 449 C HIS B 10 0.783 0.555 -13.726 1.00 0.00 C ATOM 450 O HIS B 10 1.175 -0.501 -13.222 1.00 0.00 O ATOM 451 CB HIS B 10 1.915 1.474 -15.807 1.00 0.00 C ATOM 452 CG HIS B 10 1.901 1.681 -17.304 1.00 0.00 C ATOM 453 ND1 HIS B 10 2.166 2.864 -17.959 1.00 0.00 N ATOM 454 CD2 HIS B 10 1.600 0.754 -18.269 1.00 0.00 C ATOM 455 CE1 HIS B 10 2.028 2.656 -19.279 1.00 0.00 C ATOM 456 NE2 HIS B 10 1.684 1.378 -19.522 1.00 0.00 N ATOM 0 H HIS B 10 -0.340 2.314 -16.071 1.00 0.00 H new ATOM 0 HA HIS B 10 0.709 -0.315 -15.656 1.00 0.00 H new ATOM 0 HB2 HIS B 10 1.957 2.448 -15.319 1.00 0.00 H new ATOM 0 HB3 HIS B 10 2.827 0.942 -15.536 1.00 0.00 H new ATOM 0 HD2 HIS B 10 1.342 -0.280 -18.094 1.00 0.00 H new ATOM 0 HE1 HIS B 10 2.173 3.409 -20.039 1.00 0.00 H new ATOM 0 HE2 HIS B 10 1.518 0.950 -20.433 1.00 0.00 H new ATOM 464 N LEU B 11 0.338 1.575 -12.975 1.00 0.00 N ATOM 465 CA LEU B 11 0.151 1.503 -11.525 1.00 0.00 C ATOM 466 C LEU B 11 -0.934 0.485 -11.167 1.00 0.00 C ATOM 467 O LEU B 11 -0.708 -0.334 -10.287 1.00 0.00 O ATOM 468 CB LEU B 11 -0.155 2.913 -10.984 1.00 0.00 C ATOM 469 CG LEU B 11 -0.356 2.966 -9.453 1.00 0.00 C ATOM 470 CD1 LEU B 11 0.123 4.336 -8.955 1.00 0.00 C ATOM 471 CD2 LEU B 11 -1.825 2.768 -9.035 1.00 0.00 C ATOM 0 H LEU B 11 0.096 2.484 -13.368 1.00 0.00 H new ATOM 0 HA LEU B 11 1.067 1.152 -11.049 1.00 0.00 H new ATOM 0 HB2 LEU B 11 0.662 3.581 -11.257 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -1.053 3.292 -11.472 1.00 0.00 H new ATOM 0 HG LEU B 11 0.216 2.150 -9.011 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -0.009 4.397 -7.875 1.00 0.00 H new ATOM 0 HD12 LEU B 11 1.178 4.464 -9.199 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -0.459 5.122 -9.437 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -1.904 2.815 -7.949 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -2.438 3.553 -9.478 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -2.174 1.796 -9.382 1.00 0.00 H new ATOM 483 N VAL B 12 -2.075 0.507 -11.856 1.00 0.00 N ATOM 484 CA VAL B 12 -3.185 -0.443 -11.631 1.00 0.00 C ATOM 485 C VAL B 12 -2.759 -1.895 -11.903 1.00 0.00 C ATOM 486 O VAL B 12 -3.150 -2.786 -11.151 1.00 0.00 O ATOM 487 CB VAL B 12 -4.441 -0.030 -12.442 1.00 0.00 C ATOM 488 CG1 VAL B 12 -5.523 -1.118 -12.516 1.00 0.00 C ATOM 489 CG2 VAL B 12 -5.078 1.227 -11.817 1.00 0.00 C ATOM 0 H VAL B 12 -2.265 1.186 -12.593 1.00 0.00 H new ATOM 0 HA VAL B 12 -3.455 -0.399 -10.576 1.00 0.00 H new ATOM 0 HB VAL B 12 -4.086 0.153 -13.456 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -6.368 -0.752 -13.100 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -5.112 -2.008 -12.992 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -5.858 -1.367 -11.509 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -5.960 1.512 -12.391 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -5.368 1.015 -10.788 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -4.357 2.045 -11.829 1.00 0.00 H new ATOM 499 N GLU B 13 -1.918 -2.141 -12.913 1.00 0.00 N ATOM 500 CA GLU B 13 -1.329 -3.454 -13.188 1.00 0.00 C ATOM 501 C GLU B 13 -0.328 -3.871 -12.097 1.00 0.00 C ATOM 502 O GLU B 13 -0.401 -4.998 -11.610 1.00 0.00 O ATOM 503 CB GLU B 13 -0.645 -3.447 -14.563 1.00 0.00 C ATOM 504 CG GLU B 13 -1.648 -3.591 -15.715 1.00 0.00 C ATOM 505 CD GLU B 13 -0.926 -3.653 -17.068 1.00 0.00 C ATOM 506 OE1 GLU B 13 -0.566 -2.588 -17.624 1.00 0.00 O ATOM 507 OE2 GLU B 13 -0.708 -4.775 -17.587 1.00 0.00 O ATOM 0 H GLU B 13 -1.623 -1.421 -13.573 1.00 0.00 H new ATOM 0 HA GLU B 13 -2.136 -4.186 -13.190 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -0.088 -2.518 -14.684 1.00 0.00 H new ATOM 0 HB3 GLU B 13 0.078 -4.261 -14.610 1.00 0.00 H new ATOM 0 HG2 GLU B 13 -2.242 -4.494 -15.574 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -2.340 -2.749 -15.706 1.00 0.00 H new ATOM 514 N ALA B 14 0.573 -2.982 -11.658 1.00 0.00 N ATOM 515 CA ALA B 14 1.494 -3.264 -10.553 1.00 0.00 C ATOM 516 C ALA B 14 0.740 -3.565 -9.244 1.00 0.00 C ATOM 517 O ALA B 14 1.051 -4.535 -8.553 1.00 0.00 O ATOM 518 CB ALA B 14 2.451 -2.074 -10.410 1.00 0.00 C ATOM 0 H ALA B 14 0.682 -2.050 -12.059 1.00 0.00 H new ATOM 0 HA ALA B 14 2.069 -4.164 -10.773 1.00 0.00 H new ATOM 0 HB1 ALA B 14 3.146 -2.263 -9.592 1.00 0.00 H new ATOM 0 HB2 ALA B 14 3.009 -1.942 -11.337 1.00 0.00 H new ATOM 0 HB3 ALA B 14 1.879 -1.170 -10.199 1.00 0.00 H new ATOM 524 N LEU B 15 -0.294 -2.781 -8.933 1.00 0.00 N ATOM 525 CA LEU B 15 -1.160 -2.951 -7.769 1.00 0.00 C ATOM 526 C LEU B 15 -1.879 -4.302 -7.812 1.00 0.00 C ATOM 527 O LEU B 15 -1.791 -5.069 -6.858 1.00 0.00 O ATOM 528 CB LEU B 15 -2.125 -1.754 -7.720 1.00 0.00 C ATOM 529 CG LEU B 15 -3.068 -1.720 -6.507 1.00 0.00 C ATOM 530 CD1 LEU B 15 -2.317 -1.659 -5.170 1.00 0.00 C ATOM 531 CD2 LEU B 15 -3.976 -0.489 -6.630 1.00 0.00 C ATOM 0 H LEU B 15 -0.559 -1.981 -9.507 1.00 0.00 H new ATOM 0 HA LEU B 15 -0.575 -2.965 -6.849 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -1.539 -0.835 -7.730 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -2.728 -1.757 -8.628 1.00 0.00 H new ATOM 0 HG LEU B 15 -3.645 -2.645 -6.509 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -3.035 -1.637 -4.350 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -1.679 -2.537 -5.071 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -1.703 -0.759 -5.138 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -4.653 -0.449 -5.776 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -3.365 0.413 -6.651 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -4.556 -0.556 -7.550 1.00 0.00 H new ATOM 543 N TYR B 16 -2.493 -4.657 -8.943 1.00 0.00 N ATOM 544 CA TYR B 16 -3.076 -5.984 -9.165 1.00 0.00 C ATOM 545 C TYR B 16 -2.066 -7.124 -8.926 1.00 0.00 C ATOM 546 O TYR B 16 -2.415 -8.133 -8.316 1.00 0.00 O ATOM 547 CB TYR B 16 -3.649 -6.052 -10.590 1.00 0.00 C ATOM 548 CG TYR B 16 -4.105 -7.441 -11.005 1.00 0.00 C ATOM 549 CD1 TYR B 16 -5.170 -8.073 -10.328 1.00 0.00 C ATOM 550 CD2 TYR B 16 -3.429 -8.125 -12.039 1.00 0.00 C ATOM 551 CE1 TYR B 16 -5.557 -9.380 -10.679 1.00 0.00 C ATOM 552 CE2 TYR B 16 -3.817 -9.431 -12.395 1.00 0.00 C ATOM 553 CZ TYR B 16 -4.882 -10.065 -11.715 1.00 0.00 C ATOM 554 OH TYR B 16 -5.247 -11.335 -12.058 1.00 0.00 O ATOM 0 H TYR B 16 -2.601 -4.027 -9.738 1.00 0.00 H new ATOM 0 HA TYR B 16 -3.874 -6.126 -8.437 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -4.493 -5.366 -10.665 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -2.892 -5.704 -11.293 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -5.690 -7.552 -9.538 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -2.612 -7.645 -12.558 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -6.371 -9.860 -10.156 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -3.300 -9.949 -13.189 1.00 0.00 H new ATOM 0 HH TYR B 16 -4.678 -11.653 -12.790 1.00 0.00 H new ATOM 564 N LEU B 17 -0.809 -6.958 -9.348 1.00 0.00 N ATOM 565 CA LEU B 17 0.259 -7.952 -9.160 1.00 0.00 C ATOM 566 C LEU B 17 0.787 -8.010 -7.717 1.00 0.00 C ATOM 567 O LEU B 17 1.098 -9.100 -7.235 1.00 0.00 O ATOM 568 CB LEU B 17 1.391 -7.691 -10.173 1.00 0.00 C ATOM 569 CG LEU B 17 1.012 -8.016 -11.636 1.00 0.00 C ATOM 570 CD1 LEU B 17 2.094 -7.470 -12.580 1.00 0.00 C ATOM 571 CD2 LEU B 17 0.835 -9.525 -11.868 1.00 0.00 C ATOM 0 H LEU B 17 -0.497 -6.119 -9.837 1.00 0.00 H new ATOM 0 HA LEU B 17 -0.170 -8.936 -9.347 1.00 0.00 H new ATOM 0 HB2 LEU B 17 1.688 -6.644 -10.109 1.00 0.00 H new ATOM 0 HB3 LEU B 17 2.260 -8.286 -9.893 1.00 0.00 H new ATOM 0 HG LEU B 17 0.054 -7.538 -11.844 1.00 0.00 H new ATOM 0 HD11 LEU B 17 1.826 -7.699 -13.611 1.00 0.00 H new ATOM 0 HD12 LEU B 17 2.173 -6.390 -12.457 1.00 0.00 H new ATOM 0 HD13 LEU B 17 3.052 -7.933 -12.342 1.00 0.00 H new ATOM 0 HD21 LEU B 17 0.569 -9.704 -12.910 1.00 0.00 H new ATOM 0 HD22 LEU B 17 1.767 -10.040 -11.637 1.00 0.00 H new ATOM 0 HD23 LEU B 17 0.043 -9.902 -11.221 1.00 0.00 H new ATOM 583 N VAL B 18 0.828 -6.880 -7.008 1.00 0.00 N ATOM 584 CA VAL B 18 1.151 -6.809 -5.568 1.00 0.00 C ATOM 585 C VAL B 18 0.069 -7.502 -4.727 1.00 0.00 C ATOM 586 O VAL B 18 0.388 -8.265 -3.815 1.00 0.00 O ATOM 587 CB VAL B 18 1.348 -5.342 -5.103 1.00 0.00 C ATOM 588 CG1 VAL B 18 1.359 -5.161 -3.573 1.00 0.00 C ATOM 589 CG2 VAL B 18 2.679 -4.783 -5.636 1.00 0.00 C ATOM 0 H VAL B 18 0.635 -5.967 -7.420 1.00 0.00 H new ATOM 0 HA VAL B 18 2.093 -7.337 -5.417 1.00 0.00 H new ATOM 0 HB VAL B 18 0.488 -4.805 -5.504 1.00 0.00 H new ATOM 0 HG11 VAL B 18 1.501 -4.107 -3.332 1.00 0.00 H new ATOM 0 HG12 VAL B 18 0.410 -5.503 -3.159 1.00 0.00 H new ATOM 0 HG13 VAL B 18 2.173 -5.745 -3.143 1.00 0.00 H new ATOM 0 HG21 VAL B 18 2.801 -3.753 -5.301 1.00 0.00 H new ATOM 0 HG22 VAL B 18 3.504 -5.388 -5.260 1.00 0.00 H new ATOM 0 HG23 VAL B 18 2.675 -4.812 -6.726 1.00 0.00 H new ATOM 599 N CYS B 19 -1.208 -7.251 -5.032 1.00 0.00 N ATOM 600 CA CYS B 19 -2.345 -7.758 -4.252 1.00 0.00 C ATOM 601 C CYS B 19 -2.755 -9.190 -4.620 1.00 0.00 C ATOM 602 O CYS B 19 -3.273 -9.917 -3.768 1.00 0.00 O ATOM 603 CB CYS B 19 -3.533 -6.802 -4.422 1.00 0.00 C ATOM 604 SG CYS B 19 -3.181 -5.073 -4.009 1.00 0.00 S ATOM 0 H CYS B 19 -1.486 -6.685 -5.834 1.00 0.00 H new ATOM 0 HA CYS B 19 -2.029 -7.799 -3.210 1.00 0.00 H new ATOM 0 HB2 CYS B 19 -3.876 -6.852 -5.455 1.00 0.00 H new ATOM 0 HB3 CYS B 19 -4.354 -7.151 -3.796 1.00 0.00 H new ATOM 609 N GLY B 20 -2.551 -9.606 -5.873 1.00 0.00 N ATOM 610 CA GLY B 20 -2.997 -10.903 -6.395 1.00 0.00 C ATOM 611 C GLY B 20 -4.524 -10.993 -6.481 1.00 0.00 C ATOM 612 O GLY B 20 -5.209 -10.003 -6.743 1.00 0.00 O ATOM 0 H GLY B 20 -2.062 -9.041 -6.567 1.00 0.00 H new ATOM 0 HA2 GLY B 20 -2.568 -11.062 -7.384 1.00 0.00 H new ATOM 0 HA3 GLY B 20 -2.622 -11.700 -5.753 1.00 0.00 H new ATOM 616 N GLU B 21 -5.062 -12.188 -6.227 1.00 0.00 N ATOM 617 CA GLU B 21 -6.501 -12.485 -6.279 1.00 0.00 C ATOM 618 C GLU B 21 -7.327 -11.811 -5.158 1.00 0.00 C ATOM 619 O GLU B 21 -8.560 -11.848 -5.193 1.00 0.00 O ATOM 620 CB GLU B 21 -6.711 -14.011 -6.255 1.00 0.00 C ATOM 621 CG GLU B 21 -6.144 -14.699 -7.505 1.00 0.00 C ATOM 622 CD GLU B 21 -6.416 -16.211 -7.471 1.00 0.00 C ATOM 623 OE1 GLU B 21 -7.488 -16.651 -7.955 1.00 0.00 O ATOM 624 OE2 GLU B 21 -5.554 -16.974 -6.971 1.00 0.00 O ATOM 0 H GLU B 21 -4.497 -12.998 -5.973 1.00 0.00 H new ATOM 0 HA GLU B 21 -6.872 -12.061 -7.212 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -6.235 -14.427 -5.367 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -7.776 -14.227 -6.176 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -6.592 -14.265 -8.399 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -5.071 -14.520 -7.568 1.00 0.00 H new ATOM 631 N ARG B 22 -6.670 -11.167 -4.181 1.00 0.00 N ATOM 632 CA ARG B 22 -7.314 -10.427 -3.084 1.00 0.00 C ATOM 633 C ARG B 22 -8.179 -9.248 -3.567 1.00 0.00 C ATOM 634 O ARG B 22 -9.172 -8.905 -2.917 1.00 0.00 O ATOM 635 CB ARG B 22 -6.239 -9.865 -2.138 1.00 0.00 C ATOM 636 CG ARG B 22 -5.370 -10.944 -1.474 1.00 0.00 C ATOM 637 CD ARG B 22 -4.286 -10.281 -0.610 1.00 0.00 C ATOM 638 NE ARG B 22 -3.374 -11.268 -0.002 1.00 0.00 N ATOM 639 CZ ARG B 22 -2.355 -11.881 -0.592 1.00 0.00 C ATOM 640 NH1 ARG B 22 -2.048 -11.681 -1.859 1.00 0.00 N ATOM 641 NH2 ARG B 22 -1.616 -12.726 0.096 1.00 0.00 N ATOM 0 H ARG B 22 -5.651 -11.146 -4.130 1.00 0.00 H new ATOM 0 HA ARG B 22 -7.966 -11.140 -2.580 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -5.595 -9.187 -2.698 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -6.725 -9.275 -1.361 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -5.990 -11.596 -0.859 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -4.907 -11.571 -2.236 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -3.711 -9.587 -1.222 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -4.760 -9.694 0.177 1.00 0.00 H new ATOM 0 HE ARG B 22 -3.544 -11.505 0.975 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -2.602 -11.036 -2.422 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -1.257 -12.172 -2.276 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -1.828 -12.907 1.077 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -0.832 -13.200 -0.352 1.00 0.00 H new ATOM 655 N GLY B 23 -7.794 -8.611 -4.682 1.00 0.00 N ATOM 656 CA GLY B 23 -8.374 -7.356 -5.182 1.00 0.00 C ATOM 657 C GLY B 23 -7.714 -6.119 -4.563 1.00 0.00 C ATOM 658 O GLY B 23 -6.818 -6.220 -3.722 1.00 0.00 O ATOM 0 H GLY B 23 -7.047 -8.966 -5.279 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -8.268 -7.317 -6.266 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -9.442 -7.341 -4.965 1.00 0.00 H new ATOM 662 N PHE B 24 -8.177 -4.938 -4.977 1.00 0.00 N ATOM 663 CA PHE B 24 -7.594 -3.640 -4.620 1.00 0.00 C ATOM 664 C PHE B 24 -8.580 -2.470 -4.806 1.00 0.00 C ATOM 665 O PHE B 24 -9.619 -2.605 -5.456 1.00 0.00 O ATOM 666 CB PHE B 24 -6.315 -3.423 -5.447 1.00 0.00 C ATOM 667 CG PHE B 24 -6.541 -3.377 -6.950 1.00 0.00 C ATOM 668 CD1 PHE B 24 -6.878 -2.163 -7.582 1.00 0.00 C ATOM 669 CD2 PHE B 24 -6.455 -4.557 -7.712 1.00 0.00 C ATOM 670 CE1 PHE B 24 -7.129 -2.126 -8.966 1.00 0.00 C ATOM 671 CE2 PHE B 24 -6.719 -4.526 -9.093 1.00 0.00 C ATOM 672 CZ PHE B 24 -7.057 -3.313 -9.718 1.00 0.00 C ATOM 0 H PHE B 24 -8.990 -4.854 -5.587 1.00 0.00 H new ATOM 0 HA PHE B 24 -7.352 -3.658 -3.557 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -5.848 -2.490 -5.133 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -5.611 -4.224 -5.222 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -6.944 -1.255 -7.000 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -6.186 -5.488 -7.235 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -7.376 -1.192 -9.448 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -6.662 -5.435 -9.674 1.00 0.00 H new ATOM 0 HZ PHE B 24 -7.262 -3.292 -10.778 1.00 0.00 H new ATOM 682 N PHE B 25 -8.213 -1.308 -4.258 1.00 0.00 N ATOM 683 CA PHE B 25 -8.891 -0.024 -4.431 1.00 0.00 C ATOM 684 C PHE B 25 -7.831 1.043 -4.749 1.00 0.00 C ATOM 685 O PHE B 25 -7.165 1.556 -3.856 1.00 0.00 O ATOM 686 CB PHE B 25 -9.678 0.284 -3.148 1.00 0.00 C ATOM 687 CG PHE B 25 -10.407 1.616 -3.138 1.00 0.00 C ATOM 688 CD1 PHE B 25 -11.539 1.804 -3.952 1.00 0.00 C ATOM 689 CD2 PHE B 25 -9.976 2.655 -2.294 1.00 0.00 C ATOM 690 CE1 PHE B 25 -12.244 3.018 -3.909 1.00 0.00 C ATOM 691 CE2 PHE B 25 -10.685 3.867 -2.246 1.00 0.00 C ATOM 692 CZ PHE B 25 -11.820 4.049 -3.054 1.00 0.00 C ATOM 0 H PHE B 25 -7.395 -1.236 -3.653 1.00 0.00 H new ATOM 0 HA PHE B 25 -9.601 -0.042 -5.258 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -10.406 -0.511 -2.988 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -8.989 0.259 -2.304 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -11.866 1.014 -4.611 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -9.097 2.521 -1.681 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -13.113 3.159 -4.534 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -10.358 4.659 -1.588 1.00 0.00 H new ATOM 0 HZ PHE B 25 -12.366 4.980 -3.018 1.00 0.00 H new ATOM 702 N TYR B 26 -7.626 1.337 -6.038 1.00 0.00 N ATOM 703 CA TYR B 26 -6.484 2.133 -6.511 1.00 0.00 C ATOM 704 C TYR B 26 -6.570 3.641 -6.207 1.00 0.00 C ATOM 705 O TYR B 26 -5.547 4.330 -6.249 1.00 0.00 O ATOM 706 CB TYR B 26 -6.303 1.885 -8.017 1.00 0.00 C ATOM 707 CG TYR B 26 -7.282 2.622 -8.916 1.00 0.00 C ATOM 708 CD1 TYR B 26 -8.540 2.059 -9.213 1.00 0.00 C ATOM 709 CD2 TYR B 26 -6.927 3.872 -9.458 1.00 0.00 C ATOM 710 CE1 TYR B 26 -9.450 2.752 -10.032 1.00 0.00 C ATOM 711 CE2 TYR B 26 -7.831 4.569 -10.281 1.00 0.00 C ATOM 712 CZ TYR B 26 -9.096 4.012 -10.568 1.00 0.00 C ATOM 713 OH TYR B 26 -9.969 4.689 -11.367 1.00 0.00 O ATOM 0 H TYR B 26 -8.248 1.030 -6.786 1.00 0.00 H new ATOM 0 HA TYR B 26 -5.613 1.797 -5.949 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -5.290 2.173 -8.297 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -6.395 0.816 -8.207 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -8.806 1.093 -8.811 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -5.958 4.297 -9.242 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -10.417 2.323 -10.251 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -7.557 5.529 -10.693 1.00 0.00 H new ATOM 0 HH TYR B 26 -9.566 5.537 -11.647 1.00 0.00 H new ATOM 723 N THR B 27 -7.774 4.156 -5.922 1.00 0.00 N ATOM 724 CA THR B 27 -8.070 5.582 -5.700 1.00 0.00 C ATOM 725 C THR B 27 -7.206 6.131 -4.554 1.00 0.00 C ATOM 726 O THR B 27 -7.223 5.536 -3.476 1.00 0.00 O ATOM 727 CB THR B 27 -9.563 5.758 -5.401 1.00 0.00 C ATOM 728 OG1 THR B 27 -10.300 5.111 -6.419 1.00 0.00 O ATOM 729 CG2 THR B 27 -9.993 7.225 -5.373 1.00 0.00 C ATOM 0 H THR B 27 -8.603 3.568 -5.836 1.00 0.00 H new ATOM 0 HA THR B 27 -7.830 6.147 -6.601 1.00 0.00 H new ATOM 0 HB THR B 27 -9.751 5.333 -4.415 1.00 0.00 H new ATOM 0 HG1 THR B 27 -11.259 5.212 -6.243 1.00 0.00 H new ATOM 0 HG21 THR B 27 -11.060 7.287 -5.157 1.00 0.00 H new ATOM 0 HG22 THR B 27 -9.435 7.753 -4.600 1.00 0.00 H new ATOM 0 HG23 THR B 27 -9.792 7.682 -6.342 1.00 0.00 H new ATOM 737 N PRO B 28 -6.454 7.234 -4.746 1.00 0.00 N ATOM 738 CA PRO B 28 -5.400 7.657 -3.820 1.00 0.00 C ATOM 739 C PRO B 28 -5.916 8.270 -2.512 1.00 0.00 C ATOM 740 O PRO B 28 -5.183 8.273 -1.525 1.00 0.00 O ATOM 741 CB PRO B 28 -4.577 8.689 -4.598 1.00 0.00 C ATOM 742 CG PRO B 28 -5.583 9.288 -5.581 1.00 0.00 C ATOM 743 CD PRO B 28 -6.446 8.080 -5.934 1.00 0.00 C ATOM 0 HA PRO B 28 -4.825 6.787 -3.502 1.00 0.00 H new ATOM 0 HB2 PRO B 28 -4.161 9.450 -3.937 1.00 0.00 H new ATOM 0 HB3 PRO B 28 -3.739 8.224 -5.117 1.00 0.00 H new ATOM 0 HG2 PRO B 28 -6.168 10.088 -5.128 1.00 0.00 H new ATOM 0 HG3 PRO B 28 -5.093 9.709 -6.459 1.00 0.00 H new ATOM 0 HD2 PRO B 28 -7.457 8.387 -6.202 1.00 0.00 H new ATOM 0 HD3 PRO B 28 -6.038 7.545 -6.792 1.00 0.00 H new ATOM 751 N LYS B 29 -7.138 8.819 -2.502 1.00 0.00 N ATOM 752 CA LYS B 29 -7.624 9.707 -1.430 1.00 0.00 C ATOM 753 C LYS B 29 -9.079 9.424 -0.975 1.00 0.00 C ATOM 754 O LYS B 29 -9.567 10.078 -0.047 1.00 0.00 O ATOM 755 CB LYS B 29 -7.422 11.146 -1.946 1.00 0.00 C ATOM 756 CG LYS B 29 -7.160 12.172 -0.827 1.00 0.00 C ATOM 757 CD LYS B 29 -6.745 13.545 -1.384 1.00 0.00 C ATOM 758 CE LYS B 29 -5.380 13.481 -2.086 1.00 0.00 C ATOM 759 NZ LYS B 29 -4.940 14.797 -2.612 1.00 0.00 N ATOM 0 H LYS B 29 -7.823 8.660 -3.240 1.00 0.00 H new ATOM 0 HA LYS B 29 -7.056 9.531 -0.517 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -6.584 11.159 -2.643 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -8.306 11.450 -2.506 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -8.059 12.284 -0.221 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -6.377 11.797 -0.168 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -7.500 13.897 -2.087 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -6.703 14.270 -0.572 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -4.634 13.107 -1.385 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -5.432 12.766 -2.907 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -4.147 14.660 -3.271 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -5.730 15.253 -3.111 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -4.634 15.402 -1.823 1.00 0.00 H new ATOM 773 N THR B 30 -9.744 8.458 -1.630 1.00 0.00 N ATOM 774 CA THR B 30 -11.119 7.943 -1.393 1.00 0.00 C ATOM 775 C THR B 30 -12.202 8.857 -1.980 1.00 0.00 C ATOM 776 O THR B 30 -12.885 8.420 -2.933 1.00 0.00 O ATOM 777 CB THR B 30 -11.409 7.636 0.087 1.00 0.00 C ATOM 778 OG1 THR B 30 -10.371 6.825 0.596 1.00 0.00 O ATOM 779 CG2 THR B 30 -12.718 6.860 0.265 1.00 0.00 C ATOM 780 OXT THR B 30 -12.361 10.010 -1.517 1.00 0.00 O ATOM 0 H THR B 30 -9.302 7.969 -2.409 1.00 0.00 H new ATOM 0 HA THR B 30 -11.157 6.995 -1.929 1.00 0.00 H new ATOM 0 HB THR B 30 -11.484 8.589 0.611 1.00 0.00 H new ATOM 0 HG1 THR B 30 -10.545 6.625 1.539 1.00 0.00 H new ATOM 0 HG21 THR B 30 -12.884 6.664 1.324 1.00 0.00 H new ATOM 0 HG22 THR B 30 -13.546 7.449 -0.129 1.00 0.00 H new ATOM 0 HG23 THR B 30 -12.656 5.914 -0.273 1.00 0.00 H new TER 788 THR B 30