USER MOD reduce.3.24.130724 H: found=0, std=0, add=701, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 697 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 40 GLN : amide:sc=-2.38e-05 K(o=0.93,f=0.24) USER MOD Set 1.2: A 51 THR OG1 : rot -56:sc= 0.935 USER MOD Single : A 0 SER OG : rot 62:sc= 1.22 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.547 USER MOD Single : A -3 GLY N :NH3+ -113:sc= 0.0824 (180deg=0) USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.028) USER MOD Single : A 25 LYS NZ :NH3+ -149:sc= 0 (180deg=-0.64) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0.0345 USER MOD Single : A 42 MET CE :methyl -176:sc= -0.97 (180deg=-0.973) USER MOD Single : A 44 GLN : amide:sc= -1.58 K(o=-1.6,f=-2.2) USER MOD Single : A 47 ASN : amide:sc= -2.37 X(o=-2.4,f=-2!) USER MOD Single : A 50 ASN : amide:sc= 0.691 K(o=0.69,f=-5.4!) USER MOD Single : A 54 GLN : amide:sc= -4.32 K(o=-4.3,f=-2.7!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 HIS : no HD1:sc= -0.092 K(o=-0.092,f=-2.4!) USER MOD Single : A 65 CYS SG : rot 161:sc= 0.93 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -0.0646 X(o=-0.065,f=-0.32) USER MOD Single : A 74 LYS NZ :NH3+ -167:sc= -0.0574 (180deg=-0.353) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= 1.11 K(o=1.1,f=-5.6!) USER MOD Single : A 85 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -3 5.718 12.825 8.306 1.00 0.00 N ATOM 2 CA GLY A -3 6.926 12.023 8.253 1.00 0.00 C ATOM 3 C GLY A -3 7.311 11.647 6.836 1.00 0.00 C ATOM 4 O GLY A -3 6.521 11.778 5.900 1.00 0.00 O ATOM 0 H1 GLY A -3 5.952 13.783 8.636 1.00 0.00 H new ATOM 0 H2 GLY A -3 5.295 12.879 7.357 1.00 0.00 H new ATOM 0 H3 GLY A -3 5.040 12.389 8.963 1.00 0.00 H new ATOM 0 HA2 GLY A -3 7.745 12.575 8.714 1.00 0.00 H new ATOM 0 HA3 GLY A -3 6.782 11.116 8.840 1.00 0.00 H new ATOM 8 N PRO A -2 8.552 11.169 6.662 1.00 0.00 N ATOM 9 CA PRO A -2 9.068 10.765 5.351 1.00 0.00 C ATOM 10 C PRO A -2 8.401 9.496 4.831 1.00 0.00 C ATOM 11 O PRO A -2 7.463 8.983 5.439 1.00 0.00 O ATOM 12 CB PRO A -2 10.555 10.517 5.616 1.00 0.00 C ATOM 13 CG PRO A -2 10.631 10.185 7.067 1.00 0.00 C ATOM 14 CD PRO A -2 9.546 10.986 7.732 1.00 0.00 C ATOM 0 HA PRO A -2 8.877 11.520 4.588 1.00 0.00 H new ATOM 0 HB2 PRO A -2 10.936 9.700 5.003 1.00 0.00 H new ATOM 0 HB3 PRO A -2 11.152 11.398 5.380 1.00 0.00 H new ATOM 0 HG2 PRO A -2 10.485 9.117 7.231 1.00 0.00 H new ATOM 0 HG3 PRO A -2 11.609 10.439 7.475 1.00 0.00 H new ATOM 0 HD2 PRO A -2 9.123 10.458 8.587 1.00 0.00 H new ATOM 0 HD3 PRO A -2 9.920 11.941 8.100 1.00 0.00 H new ATOM 22 N GLY A -1 8.893 8.994 3.702 1.00 0.00 N ATOM 23 CA GLY A -1 8.332 7.789 3.120 1.00 0.00 C ATOM 24 C GLY A -1 8.581 7.696 1.628 1.00 0.00 C ATOM 25 O GLY A -1 7.659 7.851 0.827 1.00 0.00 O ATOM 0 H GLY A -1 9.670 9.400 3.181 1.00 0.00 H new ATOM 0 HA2 GLY A -1 8.763 6.917 3.612 1.00 0.00 H new ATOM 0 HA3 GLY A -1 7.259 7.764 3.308 1.00 0.00 H new ATOM 29 N SER A 0 9.831 7.443 1.253 1.00 0.00 N ATOM 30 CA SER A 0 10.200 7.335 -0.154 1.00 0.00 C ATOM 31 C SER A 0 11.627 6.818 -0.304 1.00 0.00 C ATOM 32 O SER A 0 12.309 6.551 0.686 1.00 0.00 O ATOM 33 CB SER A 0 10.062 8.693 -0.845 1.00 0.00 C ATOM 34 OG SER A 0 8.736 8.903 -1.298 1.00 0.00 O ATOM 0 H SER A 0 10.605 7.309 1.904 1.00 0.00 H new ATOM 0 HA SER A 0 9.523 6.624 -0.628 1.00 0.00 H new ATOM 0 HB2 SER A 0 10.343 9.487 -0.153 1.00 0.00 H new ATOM 0 HB3 SER A 0 10.750 8.747 -1.688 1.00 0.00 H new ATOM 0 HG SER A 0 8.125 8.905 -0.532 1.00 0.00 H new ATOM 40 N MET A 1 12.072 6.679 -1.548 1.00 0.00 N ATOM 41 CA MET A 1 13.419 6.195 -1.828 1.00 0.00 C ATOM 42 C MET A 1 14.131 7.111 -2.818 1.00 0.00 C ATOM 43 O MET A 1 13.657 7.326 -3.933 1.00 0.00 O ATOM 44 CB MET A 1 13.367 4.770 -2.382 1.00 0.00 C ATOM 45 CG MET A 1 13.153 3.710 -1.313 1.00 0.00 C ATOM 46 SD MET A 1 13.559 2.050 -1.889 1.00 0.00 S ATOM 47 CE MET A 1 12.189 1.732 -2.998 1.00 0.00 C ATOM 0 H MET A 1 11.520 6.894 -2.378 1.00 0.00 H new ATOM 0 HA MET A 1 13.979 6.194 -0.893 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.563 4.703 -3.115 1.00 0.00 H new ATOM 0 HB3 MET A 1 14.297 4.560 -2.910 1.00 0.00 H new ATOM 0 HG2 MET A 1 13.765 3.948 -0.443 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.113 3.733 -0.987 1.00 0.00 H new ATOM 0 HE1 MET A 1 12.298 0.739 -3.435 1.00 0.00 H new ATOM 0 HE2 MET A 1 11.252 1.784 -2.443 1.00 0.00 H new ATOM 0 HE3 MET A 1 12.182 2.479 -3.792 1.00 0.00 H new ATOM 57 N LYS A 2 15.273 7.650 -2.402 1.00 0.00 N ATOM 58 CA LYS A 2 16.052 8.543 -3.252 1.00 0.00 C ATOM 59 C LYS A 2 17.539 8.218 -3.163 1.00 0.00 C ATOM 60 O LYS A 2 17.945 7.328 -2.416 1.00 0.00 O ATOM 61 CB LYS A 2 15.812 10.000 -2.850 1.00 0.00 C ATOM 62 CG LYS A 2 14.347 10.400 -2.858 1.00 0.00 C ATOM 63 CD LYS A 2 13.776 10.399 -4.266 1.00 0.00 C ATOM 64 CE LYS A 2 13.764 11.797 -4.864 1.00 0.00 C ATOM 65 NZ LYS A 2 12.571 12.576 -4.430 1.00 0.00 N ATOM 0 H LYS A 2 15.679 7.484 -1.481 1.00 0.00 H new ATOM 0 HA LYS A 2 15.728 8.399 -4.283 1.00 0.00 H new ATOM 0 HB2 LYS A 2 16.219 10.165 -1.852 1.00 0.00 H new ATOM 0 HB3 LYS A 2 16.361 10.651 -3.530 1.00 0.00 H new ATOM 0 HG2 LYS A 2 13.778 9.712 -2.233 1.00 0.00 H new ATOM 0 HG3 LYS A 2 14.238 11.392 -2.421 1.00 0.00 H new ATOM 0 HD2 LYS A 2 14.367 9.737 -4.899 1.00 0.00 H new ATOM 0 HD3 LYS A 2 12.761 10.001 -4.248 1.00 0.00 H new ATOM 0 HE2 LYS A 2 14.670 12.326 -4.569 1.00 0.00 H new ATOM 0 HE3 LYS A 2 13.776 11.727 -5.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 12.600 13.523 -4.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 11.706 12.085 -4.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 12.573 12.665 -3.394 1.00 0.00 H new ATOM 79 N GLU A 3 18.347 8.947 -3.927 1.00 0.00 N ATOM 80 CA GLU A 3 19.789 8.735 -3.933 1.00 0.00 C ATOM 81 C GLU A 3 20.535 10.067 -3.938 1.00 0.00 C ATOM 82 O GLU A 3 20.066 11.050 -4.513 1.00 0.00 O ATOM 83 CB GLU A 3 20.200 7.903 -5.149 1.00 0.00 C ATOM 84 CG GLU A 3 20.120 8.664 -6.462 1.00 0.00 C ATOM 85 CD GLU A 3 19.787 7.766 -7.637 1.00 0.00 C ATOM 86 OE1 GLU A 3 20.022 6.543 -7.535 1.00 0.00 O ATOM 87 OE2 GLU A 3 19.291 8.284 -8.659 1.00 0.00 O ATOM 0 H GLU A 3 18.027 9.689 -4.549 1.00 0.00 H new ATOM 0 HA GLU A 3 20.054 8.193 -3.025 1.00 0.00 H new ATOM 0 HB2 GLU A 3 21.220 7.547 -5.007 1.00 0.00 H new ATOM 0 HB3 GLU A 3 19.560 7.023 -5.209 1.00 0.00 H new ATOM 0 HG2 GLU A 3 19.363 9.444 -6.380 1.00 0.00 H new ATOM 0 HG3 GLU A 3 21.072 9.161 -6.648 1.00 0.00 H new ATOM 94 N ILE A 4 21.696 10.091 -3.294 1.00 0.00 N ATOM 95 CA ILE A 4 22.506 11.300 -3.225 1.00 0.00 C ATOM 96 C ILE A 4 23.752 11.179 -4.096 1.00 0.00 C ATOM 97 O ILE A 4 24.412 10.139 -4.111 1.00 0.00 O ATOM 98 CB ILE A 4 22.934 11.610 -1.778 1.00 0.00 C ATOM 99 CG1 ILE A 4 23.525 13.018 -1.687 1.00 0.00 C ATOM 100 CG2 ILE A 4 23.937 10.576 -1.289 1.00 0.00 C ATOM 101 CD1 ILE A 4 25.026 13.056 -1.869 1.00 0.00 C ATOM 0 H ILE A 4 22.097 9.286 -2.812 1.00 0.00 H new ATOM 0 HA ILE A 4 21.885 12.116 -3.595 1.00 0.00 H new ATOM 0 HB ILE A 4 22.053 11.565 -1.137 1.00 0.00 H new ATOM 0 HG12 ILE A 4 23.059 13.648 -2.444 1.00 0.00 H new ATOM 0 HG13 ILE A 4 23.274 13.447 -0.717 1.00 0.00 H new ATOM 0 HG21 ILE A 4 24.230 10.809 -0.265 1.00 0.00 H new ATOM 0 HG22 ILE A 4 23.483 9.586 -1.320 1.00 0.00 H new ATOM 0 HG23 ILE A 4 24.818 10.592 -1.931 1.00 0.00 H new ATOM 0 HD11 ILE A 4 25.376 14.085 -1.792 1.00 0.00 H new ATOM 0 HD12 ILE A 4 25.502 12.453 -1.096 1.00 0.00 H new ATOM 0 HD13 ILE A 4 25.284 12.657 -2.850 1.00 0.00 H new ATOM 113 N ILE A 5 24.068 12.247 -4.819 1.00 0.00 N ATOM 114 CA ILE A 5 25.237 12.261 -5.690 1.00 0.00 C ATOM 115 C ILE A 5 26.032 13.551 -5.523 1.00 0.00 C ATOM 116 O ILE A 5 25.461 14.623 -5.318 1.00 0.00 O ATOM 117 CB ILE A 5 24.838 12.105 -7.169 1.00 0.00 C ATOM 118 CG1 ILE A 5 23.714 11.076 -7.311 1.00 0.00 C ATOM 119 CG2 ILE A 5 26.044 11.698 -8.003 1.00 0.00 C ATOM 120 CD1 ILE A 5 23.292 10.835 -8.744 1.00 0.00 C ATOM 0 H ILE A 5 23.531 13.114 -4.819 1.00 0.00 H new ATOM 0 HA ILE A 5 25.858 11.414 -5.398 1.00 0.00 H new ATOM 0 HB ILE A 5 24.475 13.065 -7.535 1.00 0.00 H new ATOM 0 HG12 ILE A 5 24.039 10.132 -6.873 1.00 0.00 H new ATOM 0 HG13 ILE A 5 22.850 11.413 -6.738 1.00 0.00 H new ATOM 0 HG21 ILE A 5 25.746 11.592 -9.046 1.00 0.00 H new ATOM 0 HG22 ILE A 5 26.817 12.463 -7.923 1.00 0.00 H new ATOM 0 HG23 ILE A 5 26.434 10.748 -7.639 1.00 0.00 H new ATOM 0 HD11 ILE A 5 22.492 10.095 -8.768 1.00 0.00 H new ATOM 0 HD12 ILE A 5 22.936 11.768 -9.180 1.00 0.00 H new ATOM 0 HD13 ILE A 5 24.143 10.468 -9.317 1.00 0.00 H new ATOM 132 N LEU A 6 27.353 13.442 -5.615 1.00 0.00 N ATOM 133 CA LEU A 6 28.228 14.601 -5.476 1.00 0.00 C ATOM 134 C LEU A 6 29.037 14.828 -6.749 1.00 0.00 C ATOM 135 O LEU A 6 29.826 13.975 -7.156 1.00 0.00 O ATOM 136 CB LEU A 6 29.171 14.413 -4.286 1.00 0.00 C ATOM 137 CG LEU A 6 29.414 12.969 -3.844 1.00 0.00 C ATOM 138 CD1 LEU A 6 30.811 12.817 -3.263 1.00 0.00 C ATOM 139 CD2 LEU A 6 28.364 12.538 -2.831 1.00 0.00 C ATOM 0 H LEU A 6 27.842 12.563 -5.785 1.00 0.00 H new ATOM 0 HA LEU A 6 27.604 15.478 -5.303 1.00 0.00 H new ATOM 0 HB2 LEU A 6 30.132 14.862 -4.535 1.00 0.00 H new ATOM 0 HB3 LEU A 6 28.770 14.969 -3.439 1.00 0.00 H new ATOM 0 HG LEU A 6 29.334 12.323 -4.718 1.00 0.00 H new ATOM 0 HD11 LEU A 6 30.966 11.783 -2.954 1.00 0.00 H new ATOM 0 HD12 LEU A 6 31.550 13.085 -4.018 1.00 0.00 H new ATOM 0 HD13 LEU A 6 30.920 13.474 -2.400 1.00 0.00 H new ATOM 0 HD21 LEU A 6 28.552 11.508 -2.528 1.00 0.00 H new ATOM 0 HD22 LEU A 6 28.413 13.188 -1.958 1.00 0.00 H new ATOM 0 HD23 LEU A 6 27.374 12.608 -3.281 1.00 0.00 H new ATOM 151 N TYR A 7 28.836 15.983 -7.373 1.00 0.00 N ATOM 152 CA TYR A 7 29.547 16.323 -8.600 1.00 0.00 C ATOM 153 C TYR A 7 30.719 17.256 -8.310 1.00 0.00 C ATOM 154 O TYR A 7 30.530 18.432 -7.998 1.00 0.00 O ATOM 155 CB TYR A 7 28.594 16.978 -9.601 1.00 0.00 C ATOM 156 CG TYR A 7 27.548 16.034 -10.148 1.00 0.00 C ATOM 157 CD1 TYR A 7 27.804 15.259 -11.273 1.00 0.00 C ATOM 158 CD2 TYR A 7 26.303 15.918 -9.542 1.00 0.00 C ATOM 159 CE1 TYR A 7 26.851 14.395 -11.777 1.00 0.00 C ATOM 160 CE2 TYR A 7 25.345 15.056 -10.038 1.00 0.00 C ATOM 161 CZ TYR A 7 25.623 14.297 -11.156 1.00 0.00 C ATOM 162 OH TYR A 7 24.670 13.438 -11.654 1.00 0.00 O ATOM 0 H TYR A 7 28.187 16.700 -7.050 1.00 0.00 H new ATOM 0 HA TYR A 7 29.938 15.401 -9.031 1.00 0.00 H new ATOM 0 HB2 TYR A 7 28.096 17.819 -9.119 1.00 0.00 H new ATOM 0 HB3 TYR A 7 29.174 17.384 -10.430 1.00 0.00 H new ATOM 0 HD1 TYR A 7 28.764 15.333 -11.762 1.00 0.00 H new ATOM 0 HD2 TYR A 7 26.081 16.512 -8.668 1.00 0.00 H new ATOM 0 HE1 TYR A 7 27.066 13.800 -12.652 1.00 0.00 H new ATOM 0 HE2 TYR A 7 24.383 14.976 -9.553 1.00 0.00 H new ATOM 0 HH TYR A 7 23.863 13.488 -11.100 1.00 0.00 H new ATOM 172 N THR A 8 31.932 16.722 -8.417 1.00 0.00 N ATOM 173 CA THR A 8 33.136 17.505 -8.166 1.00 0.00 C ATOM 174 C THR A 8 34.391 16.678 -8.418 1.00 0.00 C ATOM 175 O THR A 8 34.311 15.506 -8.787 1.00 0.00 O ATOM 176 CB THR A 8 33.168 18.039 -6.722 1.00 0.00 C ATOM 177 OG1 THR A 8 32.174 17.377 -5.932 1.00 0.00 O ATOM 178 CG2 THR A 8 32.926 19.541 -6.695 1.00 0.00 C ATOM 0 H THR A 8 32.107 15.751 -8.676 1.00 0.00 H new ATOM 0 HA THR A 8 33.115 18.348 -8.856 1.00 0.00 H new ATOM 0 HB THR A 8 34.155 17.838 -6.306 1.00 0.00 H new ATOM 0 HG1 THR A 8 32.202 17.721 -5.015 1.00 0.00 H new ATOM 0 HG21 THR A 8 32.953 19.895 -5.665 1.00 0.00 H new ATOM 0 HG22 THR A 8 33.701 20.045 -7.273 1.00 0.00 H new ATOM 0 HG23 THR A 8 31.950 19.760 -7.128 1.00 0.00 H new ATOM 186 N ARG A 9 35.551 17.294 -8.215 1.00 0.00 N ATOM 187 CA ARG A 9 36.824 16.614 -8.421 1.00 0.00 C ATOM 188 C ARG A 9 37.268 15.895 -7.150 1.00 0.00 C ATOM 189 O ARG A 9 36.880 16.253 -6.038 1.00 0.00 O ATOM 190 CB ARG A 9 37.897 17.615 -8.854 1.00 0.00 C ATOM 191 CG ARG A 9 38.011 18.821 -7.936 1.00 0.00 C ATOM 192 CD ARG A 9 39.397 19.443 -8.003 1.00 0.00 C ATOM 193 NE ARG A 9 39.516 20.610 -7.134 1.00 0.00 N ATOM 194 CZ ARG A 9 39.007 21.801 -7.428 1.00 0.00 C ATOM 195 NH1 ARG A 9 38.347 21.981 -8.564 1.00 0.00 N ATOM 196 NH2 ARG A 9 39.157 22.815 -6.585 1.00 0.00 N ATOM 0 H ARG A 9 35.635 18.263 -7.908 1.00 0.00 H new ATOM 0 HA ARG A 9 36.688 15.873 -9.209 1.00 0.00 H new ATOM 0 HB2 ARG A 9 38.861 17.107 -8.894 1.00 0.00 H new ATOM 0 HB3 ARG A 9 37.675 17.958 -9.865 1.00 0.00 H new ATOM 0 HG2 ARG A 9 37.264 19.564 -8.215 1.00 0.00 H new ATOM 0 HG3 ARG A 9 37.795 18.521 -6.911 1.00 0.00 H new ATOM 0 HD2 ARG A 9 40.142 18.700 -7.717 1.00 0.00 H new ATOM 0 HD3 ARG A 9 39.615 19.733 -9.031 1.00 0.00 H new ATOM 0 HE ARG A 9 40.018 20.505 -6.252 1.00 0.00 H new ATOM 0 HH11 ARG A 9 38.229 21.204 -9.214 1.00 0.00 H new ATOM 0 HH12 ARG A 9 37.957 22.897 -8.788 1.00 0.00 H new ATOM 0 HH21 ARG A 9 39.664 22.680 -5.710 1.00 0.00 H new ATOM 0 HH22 ARG A 9 38.766 23.729 -6.812 1.00 0.00 H new ATOM 210 N PRO A 10 38.100 14.856 -7.318 1.00 0.00 N ATOM 211 CA PRO A 10 38.614 14.065 -6.196 1.00 0.00 C ATOM 212 C PRO A 10 39.605 14.847 -5.341 1.00 0.00 C ATOM 213 O PRO A 10 40.020 15.947 -5.705 1.00 0.00 O ATOM 214 CB PRO A 10 39.311 12.888 -6.882 1.00 0.00 C ATOM 215 CG PRO A 10 39.683 13.402 -8.231 1.00 0.00 C ATOM 216 CD PRO A 10 38.602 14.375 -8.615 1.00 0.00 C ATOM 0 HA PRO A 10 37.821 13.767 -5.510 1.00 0.00 H new ATOM 0 HB2 PRO A 10 40.191 12.569 -6.323 1.00 0.00 H new ATOM 0 HB3 PRO A 10 38.650 12.025 -6.956 1.00 0.00 H new ATOM 0 HG2 PRO A 10 40.657 13.890 -8.208 1.00 0.00 H new ATOM 0 HG3 PRO A 10 39.751 12.589 -8.954 1.00 0.00 H new ATOM 0 HD2 PRO A 10 38.993 15.191 -9.222 1.00 0.00 H new ATOM 0 HD3 PRO A 10 37.816 13.893 -9.197 1.00 0.00 H new ATOM 224 N ASN A 11 39.981 14.272 -4.204 1.00 0.00 N ATOM 225 CA ASN A 11 40.925 14.916 -3.297 1.00 0.00 C ATOM 226 C ASN A 11 40.349 16.218 -2.748 1.00 0.00 C ATOM 227 O ASN A 11 41.078 17.057 -2.218 1.00 0.00 O ATOM 228 CB ASN A 11 42.247 15.193 -4.016 1.00 0.00 C ATOM 229 CG ASN A 11 43.374 14.313 -3.511 1.00 0.00 C ATOM 230 OD1 ASN A 11 44.076 14.666 -2.563 1.00 0.00 O ATOM 231 ND2 ASN A 11 43.553 13.160 -4.145 1.00 0.00 N ATOM 0 H ASN A 11 39.647 13.361 -3.888 1.00 0.00 H new ATOM 0 HA ASN A 11 41.108 14.240 -2.462 1.00 0.00 H new ATOM 0 HB2 ASN A 11 42.116 15.033 -5.086 1.00 0.00 H new ATOM 0 HB3 ASN A 11 42.519 16.240 -3.881 1.00 0.00 H new ATOM 0 HD21 ASN A 11 44.296 12.526 -3.851 1.00 0.00 H new ATOM 0 HD22 ASN A 11 42.947 12.908 -4.926 1.00 0.00 H new ATOM 238 N CYS A 12 39.037 16.380 -2.878 1.00 0.00 N ATOM 239 CA CYS A 12 38.362 17.579 -2.396 1.00 0.00 C ATOM 240 C CYS A 12 38.127 17.502 -0.890 1.00 0.00 C ATOM 241 O CYS A 12 37.367 16.669 -0.396 1.00 0.00 O ATOM 242 CB CYS A 12 37.028 17.765 -3.122 1.00 0.00 C ATOM 243 SG CYS A 12 35.945 16.301 -3.075 1.00 0.00 S ATOM 0 H CYS A 12 38.419 15.695 -3.314 1.00 0.00 H new ATOM 0 HA CYS A 12 39.004 18.435 -2.603 1.00 0.00 H new ATOM 0 HB2 CYS A 12 36.500 18.609 -2.678 1.00 0.00 H new ATOM 0 HB3 CYS A 12 37.226 18.024 -4.162 1.00 0.00 H new ATOM 248 N PRO A 13 38.795 18.392 -0.141 1.00 0.00 N ATOM 249 CA PRO A 13 38.676 18.447 1.319 1.00 0.00 C ATOM 250 C PRO A 13 37.308 18.947 1.770 1.00 0.00 C ATOM 251 O PRO A 13 36.939 18.807 2.937 1.00 0.00 O ATOM 252 CB PRO A 13 39.769 19.438 1.727 1.00 0.00 C ATOM 253 CG PRO A 13 39.966 20.299 0.528 1.00 0.00 C ATOM 254 CD PRO A 13 39.718 19.415 -0.663 1.00 0.00 C ATOM 0 HA PRO A 13 38.783 17.462 1.774 1.00 0.00 H new ATOM 0 HB2 PRO A 13 39.466 20.028 2.592 1.00 0.00 H new ATOM 0 HB3 PRO A 13 40.690 18.922 1.999 1.00 0.00 H new ATOM 0 HG2 PRO A 13 39.277 21.144 0.537 1.00 0.00 H new ATOM 0 HG3 PRO A 13 40.975 20.711 0.505 1.00 0.00 H new ATOM 0 HD2 PRO A 13 39.276 19.970 -1.491 1.00 0.00 H new ATOM 0 HD3 PRO A 13 40.642 18.971 -1.034 1.00 0.00 H new ATOM 262 N TYR A 14 36.559 19.529 0.840 1.00 0.00 N ATOM 263 CA TYR A 14 35.232 20.051 1.143 1.00 0.00 C ATOM 264 C TYR A 14 34.197 18.930 1.164 1.00 0.00 C ATOM 265 O TYR A 14 33.264 18.945 1.968 1.00 0.00 O ATOM 266 CB TYR A 14 34.831 21.111 0.116 1.00 0.00 C ATOM 267 CG TYR A 14 35.716 22.337 0.135 1.00 0.00 C ATOM 268 CD1 TYR A 14 35.587 23.295 1.133 1.00 0.00 C ATOM 269 CD2 TYR A 14 36.679 22.539 -0.846 1.00 0.00 C ATOM 270 CE1 TYR A 14 36.392 24.418 1.154 1.00 0.00 C ATOM 271 CE2 TYR A 14 37.489 23.657 -0.832 1.00 0.00 C ATOM 272 CZ TYR A 14 37.342 24.594 0.170 1.00 0.00 C ATOM 273 OH TYR A 14 38.146 25.710 0.187 1.00 0.00 O ATOM 0 H TYR A 14 36.849 19.651 -0.130 1.00 0.00 H new ATOM 0 HA TYR A 14 35.267 20.508 2.132 1.00 0.00 H new ATOM 0 HB2 TYR A 14 34.858 20.669 -0.880 1.00 0.00 H new ATOM 0 HB3 TYR A 14 33.801 21.414 0.302 1.00 0.00 H new ATOM 0 HD1 TYR A 14 34.845 23.160 1.906 1.00 0.00 H new ATOM 0 HD2 TYR A 14 36.796 21.809 -1.633 1.00 0.00 H new ATOM 0 HE1 TYR A 14 36.278 25.154 1.936 1.00 0.00 H new ATOM 0 HE2 TYR A 14 38.234 23.797 -1.601 1.00 0.00 H new ATOM 0 HH TYR A 14 38.762 25.681 -0.575 1.00 0.00 H new ATOM 283 N CYS A 15 34.370 17.958 0.275 1.00 0.00 N ATOM 284 CA CYS A 15 33.453 16.828 0.189 1.00 0.00 C ATOM 285 C CYS A 15 33.429 16.046 1.500 1.00 0.00 C ATOM 286 O CYS A 15 32.448 15.372 1.816 1.00 0.00 O ATOM 287 CB CYS A 15 33.856 15.903 -0.961 1.00 0.00 C ATOM 288 SG CYS A 15 34.110 16.759 -2.549 1.00 0.00 S ATOM 0 H CYS A 15 35.137 17.930 -0.396 1.00 0.00 H new ATOM 0 HA CYS A 15 32.453 17.218 -0.000 1.00 0.00 H new ATOM 0 HB2 CYS A 15 34.775 15.383 -0.690 1.00 0.00 H new ATOM 0 HB3 CYS A 15 33.085 15.143 -1.089 1.00 0.00 H new ATOM 293 N LYS A 16 34.515 16.142 2.259 1.00 0.00 N ATOM 294 CA LYS A 16 34.619 15.446 3.536 1.00 0.00 C ATOM 295 C LYS A 16 33.385 15.699 4.396 1.00 0.00 C ATOM 296 O LYS A 16 32.875 14.788 5.049 1.00 0.00 O ATOM 297 CB LYS A 16 35.876 15.897 4.284 1.00 0.00 C ATOM 298 CG LYS A 16 37.010 14.889 4.231 1.00 0.00 C ATOM 299 CD LYS A 16 38.111 15.337 3.285 1.00 0.00 C ATOM 300 CE LYS A 16 39.243 16.026 4.033 1.00 0.00 C ATOM 301 NZ LYS A 16 40.555 15.827 3.359 1.00 0.00 N ATOM 0 H LYS A 16 35.336 16.695 2.012 1.00 0.00 H new ATOM 0 HA LYS A 16 34.686 14.377 3.335 1.00 0.00 H new ATOM 0 HB2 LYS A 16 36.220 16.841 3.862 1.00 0.00 H new ATOM 0 HB3 LYS A 16 35.620 16.088 5.326 1.00 0.00 H new ATOM 0 HG2 LYS A 16 37.422 14.751 5.231 1.00 0.00 H new ATOM 0 HG3 LYS A 16 36.624 13.922 3.909 1.00 0.00 H new ATOM 0 HD2 LYS A 16 38.502 14.474 2.746 1.00 0.00 H new ATOM 0 HD3 LYS A 16 37.698 16.018 2.541 1.00 0.00 H new ATOM 0 HE2 LYS A 16 39.032 17.093 4.109 1.00 0.00 H new ATOM 0 HE3 LYS A 16 39.295 15.638 5.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 41.300 16.312 3.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 40.769 14.810 3.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 40.514 16.220 2.397 1.00 0.00 H new ATOM 315 N ARG A 17 32.909 16.940 4.390 1.00 0.00 N ATOM 316 CA ARG A 17 31.734 17.311 5.169 1.00 0.00 C ATOM 317 C ARG A 17 30.493 16.580 4.665 1.00 0.00 C ATOM 318 O ARG A 17 29.787 15.930 5.435 1.00 0.00 O ATOM 319 CB ARG A 17 31.510 18.823 5.105 1.00 0.00 C ATOM 320 CG ARG A 17 32.368 19.608 6.083 1.00 0.00 C ATOM 321 CD ARG A 17 33.805 19.718 5.599 1.00 0.00 C ATOM 322 NE ARG A 17 34.569 20.696 6.369 1.00 0.00 N ATOM 323 CZ ARG A 17 35.879 20.873 6.240 1.00 0.00 C ATOM 324 NH1 ARG A 17 36.567 20.142 5.374 1.00 0.00 N ATOM 325 NH2 ARG A 17 36.503 21.783 6.976 1.00 0.00 N ATOM 0 H ARG A 17 33.319 17.705 3.854 1.00 0.00 H new ATOM 0 HA ARG A 17 31.910 17.020 6.205 1.00 0.00 H new ATOM 0 HB2 ARG A 17 31.718 19.170 4.093 1.00 0.00 H new ATOM 0 HB3 ARG A 17 30.460 19.035 5.305 1.00 0.00 H new ATOM 0 HG2 ARG A 17 31.950 20.606 6.216 1.00 0.00 H new ATOM 0 HG3 ARG A 17 32.348 19.122 7.058 1.00 0.00 H new ATOM 0 HD2 ARG A 17 34.287 18.743 5.671 1.00 0.00 H new ATOM 0 HD3 ARG A 17 33.812 20.000 4.546 1.00 0.00 H new ATOM 0 HE ARG A 17 34.069 21.275 7.043 1.00 0.00 H new ATOM 0 HH11 ARG A 17 36.090 19.442 4.805 1.00 0.00 H new ATOM 0 HH12 ARG A 17 37.573 20.279 5.276 1.00 0.00 H new ATOM 0 HH21 ARG A 17 35.977 22.348 7.642 1.00 0.00 H new ATOM 0 HH22 ARG A 17 37.509 21.918 6.876 1.00 0.00 H new ATOM 339 N ALA A 18 30.235 16.691 3.366 1.00 0.00 N ATOM 340 CA ALA A 18 29.081 16.040 2.758 1.00 0.00 C ATOM 341 C ALA A 18 29.123 14.531 2.978 1.00 0.00 C ATOM 342 O ALA A 18 28.174 13.944 3.497 1.00 0.00 O ATOM 343 CB ALA A 18 29.019 16.357 1.271 1.00 0.00 C ATOM 0 H ALA A 18 30.810 17.226 2.714 1.00 0.00 H new ATOM 0 HA ALA A 18 28.182 16.426 3.238 1.00 0.00 H new ATOM 0 HB1 ALA A 18 28.152 15.864 0.830 1.00 0.00 H new ATOM 0 HB2 ALA A 18 28.934 17.435 1.132 1.00 0.00 H new ATOM 0 HB3 ALA A 18 29.926 15.999 0.785 1.00 0.00 H new ATOM 349 N ARG A 19 30.228 13.910 2.579 1.00 0.00 N ATOM 350 CA ARG A 19 30.393 12.470 2.731 1.00 0.00 C ATOM 351 C ARG A 19 30.270 12.061 4.196 1.00 0.00 C ATOM 352 O ARG A 19 29.772 10.979 4.509 1.00 0.00 O ATOM 353 CB ARG A 19 31.749 12.029 2.179 1.00 0.00 C ATOM 354 CG ARG A 19 32.924 12.437 3.052 1.00 0.00 C ATOM 355 CD ARG A 19 34.247 11.987 2.452 1.00 0.00 C ATOM 356 NE ARG A 19 35.157 11.460 3.465 1.00 0.00 N ATOM 357 CZ ARG A 19 34.971 10.302 4.089 1.00 0.00 C ATOM 358 NH1 ARG A 19 33.914 9.555 3.805 1.00 0.00 N ATOM 359 NH2 ARG A 19 35.844 9.890 5.000 1.00 0.00 N ATOM 0 H ARG A 19 31.023 14.382 2.148 1.00 0.00 H new ATOM 0 HA ARG A 19 29.602 11.977 2.166 1.00 0.00 H new ATOM 0 HB2 ARG A 19 31.751 10.945 2.066 1.00 0.00 H new ATOM 0 HB3 ARG A 19 31.882 12.453 1.184 1.00 0.00 H new ATOM 0 HG2 ARG A 19 32.929 13.520 3.175 1.00 0.00 H new ATOM 0 HG3 ARG A 19 32.808 12.004 4.046 1.00 0.00 H new ATOM 0 HD2 ARG A 19 34.061 11.222 1.698 1.00 0.00 H new ATOM 0 HD3 ARG A 19 34.719 12.828 1.943 1.00 0.00 H new ATOM 0 HE ARG A 19 35.981 12.011 3.707 1.00 0.00 H new ATOM 0 HH11 ARG A 19 33.241 9.869 3.106 1.00 0.00 H new ATOM 0 HH12 ARG A 19 33.774 8.666 4.286 1.00 0.00 H new ATOM 0 HH21 ARG A 19 36.659 10.463 5.222 1.00 0.00 H new ATOM 0 HH22 ARG A 19 35.700 9.001 5.479 1.00 0.00 H new ATOM 373 N ASP A 20 30.728 12.932 5.088 1.00 0.00 N ATOM 374 CA ASP A 20 30.669 12.662 6.520 1.00 0.00 C ATOM 375 C ASP A 20 29.223 12.574 6.998 1.00 0.00 C ATOM 376 O ASP A 20 28.846 11.635 7.701 1.00 0.00 O ATOM 377 CB ASP A 20 31.411 13.751 7.297 1.00 0.00 C ATOM 378 CG ASP A 20 31.058 13.752 8.771 1.00 0.00 C ATOM 379 OD1 ASP A 20 30.939 12.654 9.354 1.00 0.00 O ATOM 380 OD2 ASP A 20 30.900 14.852 9.343 1.00 0.00 O ATOM 0 H ASP A 20 31.144 13.831 4.845 1.00 0.00 H new ATOM 0 HA ASP A 20 31.152 11.702 6.704 1.00 0.00 H new ATOM 0 HB2 ASP A 20 32.485 13.606 7.184 1.00 0.00 H new ATOM 0 HB3 ASP A 20 31.174 14.725 6.869 1.00 0.00 H new ATOM 385 N LEU A 21 28.418 13.558 6.613 1.00 0.00 N ATOM 386 CA LEU A 21 27.013 13.593 7.003 1.00 0.00 C ATOM 387 C LEU A 21 26.265 12.381 6.456 1.00 0.00 C ATOM 388 O LEU A 21 25.561 11.688 7.191 1.00 0.00 O ATOM 389 CB LEU A 21 26.356 14.880 6.502 1.00 0.00 C ATOM 390 CG LEU A 21 25.053 15.283 7.194 1.00 0.00 C ATOM 391 CD1 LEU A 21 25.272 16.503 8.075 1.00 0.00 C ATOM 392 CD2 LEU A 21 23.964 15.553 6.166 1.00 0.00 C ATOM 0 H LEU A 21 28.714 14.342 6.031 1.00 0.00 H new ATOM 0 HA LEU A 21 26.963 13.567 8.092 1.00 0.00 H new ATOM 0 HB2 LEU A 21 27.070 15.696 6.613 1.00 0.00 H new ATOM 0 HB3 LEU A 21 26.159 14.772 5.435 1.00 0.00 H new ATOM 0 HG LEU A 21 24.730 14.457 7.827 1.00 0.00 H new ATOM 0 HD11 LEU A 21 24.334 16.775 8.559 1.00 0.00 H new ATOM 0 HD12 LEU A 21 26.019 16.274 8.835 1.00 0.00 H new ATOM 0 HD13 LEU A 21 25.620 17.336 7.464 1.00 0.00 H new ATOM 0 HD21 LEU A 21 23.044 15.838 6.677 1.00 0.00 H new ATOM 0 HD22 LEU A 21 24.279 16.362 5.506 1.00 0.00 H new ATOM 0 HD23 LEU A 21 23.788 14.653 5.578 1.00 0.00 H new ATOM 404 N LEU A 22 26.425 12.129 5.161 1.00 0.00 N ATOM 405 CA LEU A 22 25.767 10.999 4.515 1.00 0.00 C ATOM 406 C LEU A 22 26.237 9.678 5.117 1.00 0.00 C ATOM 407 O LEU A 22 25.431 8.886 5.606 1.00 0.00 O ATOM 408 CB LEU A 22 26.045 11.013 3.011 1.00 0.00 C ATOM 409 CG LEU A 22 25.870 12.361 2.309 1.00 0.00 C ATOM 410 CD1 LEU A 22 26.879 12.510 1.181 1.00 0.00 C ATOM 411 CD2 LEU A 22 24.451 12.506 1.781 1.00 0.00 C ATOM 0 H LEU A 22 27.004 12.692 4.538 1.00 0.00 H new ATOM 0 HA LEU A 22 24.694 11.092 4.681 1.00 0.00 H new ATOM 0 HB2 LEU A 22 27.067 10.671 2.847 1.00 0.00 H new ATOM 0 HB3 LEU A 22 25.386 10.289 2.533 1.00 0.00 H new ATOM 0 HG LEU A 22 26.049 13.154 3.035 1.00 0.00 H new ATOM 0 HD11 LEU A 22 26.740 13.475 0.693 1.00 0.00 H new ATOM 0 HD12 LEU A 22 27.889 12.451 1.586 1.00 0.00 H new ATOM 0 HD13 LEU A 22 26.733 11.711 0.454 1.00 0.00 H new ATOM 0 HD21 LEU A 22 24.344 13.471 1.285 1.00 0.00 H new ATOM 0 HD22 LEU A 22 24.244 11.707 1.069 1.00 0.00 H new ATOM 0 HD23 LEU A 22 23.746 12.445 2.610 1.00 0.00 H new ATOM 423 N ASP A 23 27.545 9.449 5.081 1.00 0.00 N ATOM 424 CA ASP A 23 28.122 8.226 5.626 1.00 0.00 C ATOM 425 C ASP A 23 27.705 8.029 7.080 1.00 0.00 C ATOM 426 O ASP A 23 27.574 6.900 7.553 1.00 0.00 O ATOM 427 CB ASP A 23 29.647 8.266 5.521 1.00 0.00 C ATOM 428 CG ASP A 23 30.302 7.045 6.135 1.00 0.00 C ATOM 429 OD1 ASP A 23 30.179 5.948 5.551 1.00 0.00 O ATOM 430 OD2 ASP A 23 30.939 7.185 7.200 1.00 0.00 O ATOM 0 H ASP A 23 28.226 10.094 4.680 1.00 0.00 H new ATOM 0 HA ASP A 23 27.747 7.385 5.042 1.00 0.00 H new ATOM 0 HB2 ASP A 23 29.934 8.340 4.472 1.00 0.00 H new ATOM 0 HB3 ASP A 23 30.019 9.162 6.017 1.00 0.00 H new ATOM 435 N LYS A 24 27.497 9.136 7.786 1.00 0.00 N ATOM 436 CA LYS A 24 27.095 9.087 9.186 1.00 0.00 C ATOM 437 C LYS A 24 25.626 8.695 9.316 1.00 0.00 C ATOM 438 O LYS A 24 25.242 7.984 10.246 1.00 0.00 O ATOM 439 CB LYS A 24 27.333 10.443 9.854 1.00 0.00 C ATOM 440 CG LYS A 24 26.924 10.480 11.317 1.00 0.00 C ATOM 441 CD LYS A 24 27.833 9.613 12.172 1.00 0.00 C ATOM 442 CE LYS A 24 29.095 10.359 12.578 1.00 0.00 C ATOM 443 NZ LYS A 24 28.834 11.336 13.671 1.00 0.00 N ATOM 0 H LYS A 24 27.601 10.079 7.410 1.00 0.00 H new ATOM 0 HA LYS A 24 27.701 8.331 9.686 1.00 0.00 H new ATOM 0 HB2 LYS A 24 28.390 10.698 9.774 1.00 0.00 H new ATOM 0 HB3 LYS A 24 26.779 11.209 9.311 1.00 0.00 H new ATOM 0 HG2 LYS A 24 26.955 11.508 11.678 1.00 0.00 H new ATOM 0 HG3 LYS A 24 25.894 10.138 11.417 1.00 0.00 H new ATOM 0 HD2 LYS A 24 27.296 9.291 13.064 1.00 0.00 H new ATOM 0 HD3 LYS A 24 28.103 8.713 11.620 1.00 0.00 H new ATOM 0 HE2 LYS A 24 29.851 9.644 12.903 1.00 0.00 H new ATOM 0 HE3 LYS A 24 29.502 10.882 11.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 29.737 11.712 14.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 28.252 12.117 13.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 28.330 10.862 14.447 1.00 0.00 H new ATOM 457 N LYS A 25 24.808 9.162 8.379 1.00 0.00 N ATOM 458 CA LYS A 25 23.382 8.858 8.387 1.00 0.00 C ATOM 459 C LYS A 25 23.134 7.400 8.015 1.00 0.00 C ATOM 460 O LYS A 25 22.182 6.782 8.488 1.00 0.00 O ATOM 461 CB LYS A 25 22.639 9.777 7.414 1.00 0.00 C ATOM 462 CG LYS A 25 22.480 11.200 7.923 1.00 0.00 C ATOM 463 CD LYS A 25 21.702 11.242 9.227 1.00 0.00 C ATOM 464 CE LYS A 25 20.609 12.299 9.190 1.00 0.00 C ATOM 465 NZ LYS A 25 20.696 13.228 10.351 1.00 0.00 N ATOM 0 H LYS A 25 25.108 9.753 7.604 1.00 0.00 H new ATOM 0 HA LYS A 25 23.006 9.026 9.396 1.00 0.00 H new ATOM 0 HB2 LYS A 25 23.175 9.797 6.465 1.00 0.00 H new ATOM 0 HB3 LYS A 25 21.652 9.359 7.214 1.00 0.00 H new ATOM 0 HG2 LYS A 25 23.463 11.647 8.070 1.00 0.00 H new ATOM 0 HG3 LYS A 25 21.966 11.801 7.172 1.00 0.00 H new ATOM 0 HD2 LYS A 25 21.258 10.265 9.419 1.00 0.00 H new ATOM 0 HD3 LYS A 25 22.383 11.450 10.052 1.00 0.00 H new ATOM 0 HE2 LYS A 25 20.685 12.868 8.263 1.00 0.00 H new ATOM 0 HE3 LYS A 25 19.634 11.813 9.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 19.743 13.559 10.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 21.115 12.731 11.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 21.291 14.043 10.099 1.00 0.00 H new ATOM 479 N GLY A 26 24.000 6.855 7.164 1.00 0.00 N ATOM 480 CA GLY A 26 23.857 5.473 6.745 1.00 0.00 C ATOM 481 C GLY A 26 23.265 5.347 5.356 1.00 0.00 C ATOM 482 O GLY A 26 22.370 4.533 5.126 1.00 0.00 O ATOM 0 H GLY A 26 24.797 7.346 6.758 1.00 0.00 H new ATOM 0 HA2 GLY A 26 24.833 4.987 6.766 1.00 0.00 H new ATOM 0 HA3 GLY A 26 23.222 4.945 7.456 1.00 0.00 H new ATOM 486 N VAL A 27 23.763 6.156 4.426 1.00 0.00 N ATOM 487 CA VAL A 27 23.277 6.132 3.051 1.00 0.00 C ATOM 488 C VAL A 27 24.416 5.884 2.069 1.00 0.00 C ATOM 489 O VAL A 27 25.590 5.935 2.437 1.00 0.00 O ATOM 490 CB VAL A 27 22.573 7.452 2.682 1.00 0.00 C ATOM 491 CG1 VAL A 27 21.126 7.434 3.148 1.00 0.00 C ATOM 492 CG2 VAL A 27 23.320 8.637 3.275 1.00 0.00 C ATOM 0 H VAL A 27 24.503 6.836 4.600 1.00 0.00 H new ATOM 0 HA VAL A 27 22.559 5.314 2.983 1.00 0.00 H new ATOM 0 HB VAL A 27 22.577 7.556 1.597 1.00 0.00 H new ATOM 0 HG11 VAL A 27 20.645 8.374 2.879 1.00 0.00 H new ATOM 0 HG12 VAL A 27 20.600 6.608 2.670 1.00 0.00 H new ATOM 0 HG13 VAL A 27 21.094 7.307 4.230 1.00 0.00 H new ATOM 0 HG21 VAL A 27 22.809 9.561 3.005 1.00 0.00 H new ATOM 0 HG22 VAL A 27 23.349 8.543 4.361 1.00 0.00 H new ATOM 0 HG23 VAL A 27 24.338 8.658 2.885 1.00 0.00 H new ATOM 502 N LYS A 28 24.062 5.614 0.817 1.00 0.00 N ATOM 503 CA LYS A 28 25.054 5.359 -0.220 1.00 0.00 C ATOM 504 C LYS A 28 25.136 6.530 -1.195 1.00 0.00 C ATOM 505 O LYS A 28 24.230 6.742 -2.002 1.00 0.00 O ATOM 506 CB LYS A 28 24.712 4.074 -0.978 1.00 0.00 C ATOM 507 CG LYS A 28 25.329 2.827 -0.369 1.00 0.00 C ATOM 508 CD LYS A 28 24.431 2.225 0.699 1.00 0.00 C ATOM 509 CE LYS A 28 24.882 0.823 1.081 1.00 0.00 C ATOM 510 NZ LYS A 28 26.235 0.826 1.703 1.00 0.00 N ATOM 0 H LYS A 28 23.095 5.566 0.496 1.00 0.00 H new ATOM 0 HA LYS A 28 26.024 5.242 0.262 1.00 0.00 H new ATOM 0 HB2 LYS A 28 23.629 3.956 -1.007 1.00 0.00 H new ATOM 0 HB3 LYS A 28 25.050 4.170 -2.010 1.00 0.00 H new ATOM 0 HG2 LYS A 28 25.510 2.090 -1.152 1.00 0.00 H new ATOM 0 HG3 LYS A 28 26.298 3.074 0.066 1.00 0.00 H new ATOM 0 HD2 LYS A 28 24.436 2.863 1.582 1.00 0.00 H new ATOM 0 HD3 LYS A 28 23.404 2.192 0.336 1.00 0.00 H new ATOM 0 HE2 LYS A 28 24.164 0.387 1.776 1.00 0.00 H new ATOM 0 HE3 LYS A 28 24.892 0.190 0.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 26.506 -0.147 1.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 26.925 1.218 1.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 26.220 1.409 2.564 1.00 0.00 H new ATOM 524 N TYR A 29 26.226 7.285 -1.116 1.00 0.00 N ATOM 525 CA TYR A 29 26.424 8.434 -1.990 1.00 0.00 C ATOM 526 C TYR A 29 27.291 8.063 -3.190 1.00 0.00 C ATOM 527 O TYR A 29 28.205 7.245 -3.082 1.00 0.00 O ATOM 528 CB TYR A 29 27.071 9.585 -1.217 1.00 0.00 C ATOM 529 CG TYR A 29 28.498 9.309 -0.803 1.00 0.00 C ATOM 530 CD1 TYR A 29 29.555 9.565 -1.667 1.00 0.00 C ATOM 531 CD2 TYR A 29 28.791 8.794 0.454 1.00 0.00 C ATOM 532 CE1 TYR A 29 30.861 9.314 -1.293 1.00 0.00 C ATOM 533 CE2 TYR A 29 30.094 8.541 0.837 1.00 0.00 C ATOM 534 CZ TYR A 29 31.125 8.802 -0.040 1.00 0.00 C ATOM 535 OH TYR A 29 32.425 8.552 0.337 1.00 0.00 O ATOM 0 H TYR A 29 26.986 7.122 -0.455 1.00 0.00 H new ATOM 0 HA TYR A 29 25.447 8.753 -2.354 1.00 0.00 H new ATOM 0 HB2 TYR A 29 27.048 10.484 -1.833 1.00 0.00 H new ATOM 0 HB3 TYR A 29 26.477 9.793 -0.327 1.00 0.00 H new ATOM 0 HD1 TYR A 29 29.352 9.967 -2.649 1.00 0.00 H new ATOM 0 HD2 TYR A 29 27.986 8.588 1.144 1.00 0.00 H new ATOM 0 HE1 TYR A 29 31.671 9.518 -1.978 1.00 0.00 H new ATOM 0 HE2 TYR A 29 30.304 8.141 1.818 1.00 0.00 H new ATOM 0 HH TYR A 29 32.438 8.195 1.249 1.00 0.00 H new ATOM 545 N THR A 30 26.998 8.671 -4.335 1.00 0.00 N ATOM 546 CA THR A 30 27.748 8.406 -5.556 1.00 0.00 C ATOM 547 C THR A 30 28.635 9.589 -5.924 1.00 0.00 C ATOM 548 O THR A 30 28.150 10.703 -6.124 1.00 0.00 O ATOM 549 CB THR A 30 26.808 8.096 -6.736 1.00 0.00 C ATOM 550 OG1 THR A 30 26.068 6.899 -6.473 1.00 0.00 O ATOM 551 CG2 THR A 30 27.597 7.937 -8.028 1.00 0.00 C ATOM 0 H THR A 30 26.246 9.351 -4.442 1.00 0.00 H new ATOM 0 HA THR A 30 28.373 7.535 -5.361 1.00 0.00 H new ATOM 0 HB THR A 30 26.117 8.931 -6.850 1.00 0.00 H new ATOM 0 HG1 THR A 30 25.472 6.711 -7.228 1.00 0.00 H new ATOM 0 HG21 THR A 30 26.913 7.719 -8.848 1.00 0.00 H new ATOM 0 HG22 THR A 30 28.136 8.860 -8.241 1.00 0.00 H new ATOM 0 HG23 THR A 30 28.309 7.118 -7.921 1.00 0.00 H new ATOM 559 N ASP A 31 29.937 9.341 -6.013 1.00 0.00 N ATOM 560 CA ASP A 31 30.893 10.387 -6.359 1.00 0.00 C ATOM 561 C ASP A 31 31.036 10.512 -7.873 1.00 0.00 C ATOM 562 O ASP A 31 31.278 9.524 -8.567 1.00 0.00 O ATOM 563 CB ASP A 31 32.255 10.092 -5.728 1.00 0.00 C ATOM 564 CG ASP A 31 32.981 8.956 -6.422 1.00 0.00 C ATOM 565 OD1 ASP A 31 33.669 9.219 -7.431 1.00 0.00 O ATOM 566 OD2 ASP A 31 32.862 7.804 -5.956 1.00 0.00 O ATOM 0 H ASP A 31 30.355 8.425 -5.850 1.00 0.00 H new ATOM 0 HA ASP A 31 30.518 11.333 -5.968 1.00 0.00 H new ATOM 0 HB2 ASP A 31 32.872 10.990 -5.765 1.00 0.00 H new ATOM 0 HB3 ASP A 31 32.118 9.843 -4.676 1.00 0.00 H new ATOM 571 N ILE A 32 30.884 11.732 -8.378 1.00 0.00 N ATOM 572 CA ILE A 32 30.997 11.985 -9.809 1.00 0.00 C ATOM 573 C ILE A 32 32.211 12.853 -10.119 1.00 0.00 C ATOM 574 O ILE A 32 32.329 13.974 -9.623 1.00 0.00 O ATOM 575 CB ILE A 32 29.734 12.673 -10.359 1.00 0.00 C ATOM 576 CG1 ILE A 32 28.492 11.835 -10.046 1.00 0.00 C ATOM 577 CG2 ILE A 32 29.864 12.898 -11.858 1.00 0.00 C ATOM 578 CD1 ILE A 32 28.423 10.543 -10.829 1.00 0.00 C ATOM 0 H ILE A 32 30.682 12.560 -7.818 1.00 0.00 H new ATOM 0 HA ILE A 32 31.114 11.016 -10.294 1.00 0.00 H new ATOM 0 HB ILE A 32 29.626 13.643 -9.874 1.00 0.00 H new ATOM 0 HG12 ILE A 32 28.477 11.606 -8.980 1.00 0.00 H new ATOM 0 HG13 ILE A 32 27.601 12.427 -10.257 1.00 0.00 H new ATOM 0 HG21 ILE A 32 28.964 13.385 -12.232 1.00 0.00 H new ATOM 0 HG22 ILE A 32 30.729 13.531 -12.057 1.00 0.00 H new ATOM 0 HG23 ILE A 32 29.993 11.939 -12.360 1.00 0.00 H new ATOM 0 HD11 ILE A 32 27.518 10.001 -10.557 1.00 0.00 H new ATOM 0 HD12 ILE A 32 28.406 10.765 -11.896 1.00 0.00 H new ATOM 0 HD13 ILE A 32 29.295 9.931 -10.599 1.00 0.00 H new ATOM 590 N ASP A 33 33.111 12.329 -10.944 1.00 0.00 N ATOM 591 CA ASP A 33 34.316 13.057 -11.324 1.00 0.00 C ATOM 592 C ASP A 33 33.965 14.427 -11.895 1.00 0.00 C ATOM 593 O ASP A 33 32.976 14.578 -12.610 1.00 0.00 O ATOM 594 CB ASP A 33 35.120 12.255 -12.349 1.00 0.00 C ATOM 595 CG ASP A 33 34.241 11.633 -13.416 1.00 0.00 C ATOM 596 OD1 ASP A 33 33.526 12.386 -14.109 1.00 0.00 O ATOM 597 OD2 ASP A 33 34.270 10.393 -13.559 1.00 0.00 O ATOM 0 H ASP A 33 33.029 11.402 -11.362 1.00 0.00 H new ATOM 0 HA ASP A 33 34.922 13.200 -10.429 1.00 0.00 H new ATOM 0 HB2 ASP A 33 35.854 12.908 -12.822 1.00 0.00 H new ATOM 0 HB3 ASP A 33 35.675 11.469 -11.837 1.00 0.00 H new ATOM 602 N ALA A 34 34.783 15.424 -11.571 1.00 0.00 N ATOM 603 CA ALA A 34 34.560 16.782 -12.052 1.00 0.00 C ATOM 604 C ALA A 34 34.609 16.840 -13.575 1.00 0.00 C ATOM 605 O ALA A 34 34.126 17.794 -14.185 1.00 0.00 O ATOM 606 CB ALA A 34 35.589 17.729 -11.453 1.00 0.00 C ATOM 0 H ALA A 34 35.606 15.316 -10.978 1.00 0.00 H new ATOM 0 HA ALA A 34 33.565 17.095 -11.734 1.00 0.00 H new ATOM 0 HB1 ALA A 34 35.411 18.740 -11.821 1.00 0.00 H new ATOM 0 HB2 ALA A 34 35.505 17.718 -10.366 1.00 0.00 H new ATOM 0 HB3 ALA A 34 36.590 17.409 -11.742 1.00 0.00 H new ATOM 612 N SER A 35 35.195 15.814 -14.183 1.00 0.00 N ATOM 613 CA SER A 35 35.311 15.751 -15.636 1.00 0.00 C ATOM 614 C SER A 35 33.959 15.998 -16.299 1.00 0.00 C ATOM 615 O SER A 35 33.063 15.155 -16.244 1.00 0.00 O ATOM 616 CB SER A 35 35.862 14.390 -16.066 1.00 0.00 C ATOM 617 OG SER A 35 37.209 14.233 -15.656 1.00 0.00 O ATOM 0 H SER A 35 35.597 15.015 -13.693 1.00 0.00 H new ATOM 0 HA SER A 35 36.001 16.532 -15.956 1.00 0.00 H new ATOM 0 HB2 SER A 35 35.253 13.595 -15.636 1.00 0.00 H new ATOM 0 HB3 SER A 35 35.795 14.293 -17.150 1.00 0.00 H new ATOM 0 HG SER A 35 37.537 13.355 -15.941 1.00 0.00 H new ATOM 623 N THR A 36 33.819 17.161 -16.927 1.00 0.00 N ATOM 624 CA THR A 36 32.578 17.521 -17.601 1.00 0.00 C ATOM 625 C THR A 36 32.167 16.451 -18.606 1.00 0.00 C ATOM 626 O THR A 36 30.987 16.302 -18.920 1.00 0.00 O ATOM 627 CB THR A 36 32.707 18.872 -18.331 1.00 0.00 C ATOM 628 OG1 THR A 36 33.579 18.738 -19.459 1.00 0.00 O ATOM 629 CG2 THR A 36 33.242 19.944 -17.394 1.00 0.00 C ATOM 0 H THR A 36 34.550 17.870 -16.983 1.00 0.00 H new ATOM 0 HA THR A 36 31.812 17.604 -16.830 1.00 0.00 H new ATOM 0 HB THR A 36 31.716 19.172 -18.672 1.00 0.00 H new ATOM 0 HG1 THR A 36 33.654 19.600 -19.918 1.00 0.00 H new ATOM 0 HG21 THR A 36 33.325 20.889 -17.931 1.00 0.00 H new ATOM 0 HG22 THR A 36 32.561 20.064 -16.552 1.00 0.00 H new ATOM 0 HG23 THR A 36 34.225 19.649 -17.027 1.00 0.00 H new ATOM 637 N SER A 37 33.149 15.708 -19.106 1.00 0.00 N ATOM 638 CA SER A 37 32.889 14.652 -20.079 1.00 0.00 C ATOM 639 C SER A 37 31.780 13.725 -19.590 1.00 0.00 C ATOM 640 O SER A 37 31.030 13.161 -20.388 1.00 0.00 O ATOM 641 CB SER A 37 34.163 13.848 -20.342 1.00 0.00 C ATOM 642 OG SER A 37 35.304 14.689 -20.355 1.00 0.00 O ATOM 0 H SER A 37 34.131 15.817 -18.854 1.00 0.00 H new ATOM 0 HA SER A 37 32.565 15.119 -21.009 1.00 0.00 H new ATOM 0 HB2 SER A 37 34.280 13.084 -19.574 1.00 0.00 H new ATOM 0 HB3 SER A 37 34.079 13.329 -21.297 1.00 0.00 H new ATOM 0 HG SER A 37 36.105 14.151 -20.523 1.00 0.00 H new ATOM 648 N LEU A 38 31.683 13.571 -18.274 1.00 0.00 N ATOM 649 CA LEU A 38 30.666 12.712 -17.677 1.00 0.00 C ATOM 650 C LEU A 38 29.799 13.496 -16.698 1.00 0.00 C ATOM 651 O LEU A 38 28.625 13.179 -16.502 1.00 0.00 O ATOM 652 CB LEU A 38 31.325 11.532 -16.962 1.00 0.00 C ATOM 653 CG LEU A 38 31.770 10.371 -17.852 1.00 0.00 C ATOM 654 CD1 LEU A 38 33.155 10.635 -18.421 1.00 0.00 C ATOM 655 CD2 LEU A 38 31.752 9.064 -17.072 1.00 0.00 C ATOM 0 H LEU A 38 32.296 14.030 -17.600 1.00 0.00 H new ATOM 0 HA LEU A 38 30.028 12.334 -18.476 1.00 0.00 H new ATOM 0 HB2 LEU A 38 32.195 11.902 -16.420 1.00 0.00 H new ATOM 0 HB3 LEU A 38 30.626 11.147 -16.219 1.00 0.00 H new ATOM 0 HG LEU A 38 31.069 10.285 -18.682 1.00 0.00 H new ATOM 0 HD11 LEU A 38 33.455 9.798 -19.052 1.00 0.00 H new ATOM 0 HD12 LEU A 38 33.136 11.549 -19.015 1.00 0.00 H new ATOM 0 HD13 LEU A 38 33.868 10.748 -17.605 1.00 0.00 H new ATOM 0 HD21 LEU A 38 32.071 8.249 -17.721 1.00 0.00 H new ATOM 0 HD22 LEU A 38 32.430 9.138 -16.222 1.00 0.00 H new ATOM 0 HD23 LEU A 38 30.741 8.868 -16.714 1.00 0.00 H new ATOM 667 N ARG A 39 30.383 14.521 -16.086 1.00 0.00 N ATOM 668 CA ARG A 39 29.663 15.351 -15.128 1.00 0.00 C ATOM 669 C ARG A 39 28.629 16.223 -15.834 1.00 0.00 C ATOM 670 O ARG A 39 27.525 16.425 -15.328 1.00 0.00 O ATOM 671 CB ARG A 39 30.640 16.230 -14.347 1.00 0.00 C ATOM 672 CG ARG A 39 29.959 17.278 -13.482 1.00 0.00 C ATOM 673 CD ARG A 39 29.881 18.621 -14.191 1.00 0.00 C ATOM 674 NE ARG A 39 31.090 19.416 -13.994 1.00 0.00 N ATOM 675 CZ ARG A 39 31.435 20.435 -14.773 1.00 0.00 C ATOM 676 NH1 ARG A 39 30.666 20.781 -15.797 1.00 0.00 N ATOM 677 NH2 ARG A 39 32.550 21.110 -14.529 1.00 0.00 N ATOM 0 H ARG A 39 31.353 14.797 -16.237 1.00 0.00 H new ATOM 0 HA ARG A 39 29.143 14.692 -14.433 1.00 0.00 H new ATOM 0 HB2 ARG A 39 31.260 15.595 -13.714 1.00 0.00 H new ATOM 0 HB3 ARG A 39 31.308 16.729 -15.049 1.00 0.00 H new ATOM 0 HG2 ARG A 39 28.954 16.942 -13.225 1.00 0.00 H new ATOM 0 HG3 ARG A 39 30.507 17.391 -12.546 1.00 0.00 H new ATOM 0 HD2 ARG A 39 29.724 18.459 -15.257 1.00 0.00 H new ATOM 0 HD3 ARG A 39 29.018 19.176 -13.822 1.00 0.00 H new ATOM 0 HE ARG A 39 31.703 19.176 -13.215 1.00 0.00 H new ATOM 0 HH11 ARG A 39 29.808 20.264 -15.988 1.00 0.00 H new ATOM 0 HH12 ARG A 39 30.933 21.564 -16.394 1.00 0.00 H new ATOM 0 HH21 ARG A 39 33.144 20.847 -13.742 1.00 0.00 H new ATOM 0 HH22 ARG A 39 32.814 21.892 -15.128 1.00 0.00 H new ATOM 691 N GLN A 40 28.995 16.738 -17.003 1.00 0.00 N ATOM 692 CA GLN A 40 28.100 17.590 -17.776 1.00 0.00 C ATOM 693 C GLN A 40 26.899 16.799 -18.284 1.00 0.00 C ATOM 694 O GLN A 40 25.759 17.247 -18.177 1.00 0.00 O ATOM 695 CB GLN A 40 28.848 18.216 -18.954 1.00 0.00 C ATOM 696 CG GLN A 40 28.229 19.513 -19.449 1.00 0.00 C ATOM 697 CD GLN A 40 28.927 20.063 -20.677 1.00 0.00 C ATOM 698 OE1 GLN A 40 30.117 20.379 -20.639 1.00 0.00 O ATOM 699 NE2 GLN A 40 28.190 20.181 -21.775 1.00 0.00 N ATOM 0 H GLN A 40 29.905 16.580 -17.435 1.00 0.00 H new ATOM 0 HA GLN A 40 27.739 18.383 -17.121 1.00 0.00 H new ATOM 0 HB2 GLN A 40 29.880 18.405 -18.659 1.00 0.00 H new ATOM 0 HB3 GLN A 40 28.878 17.501 -19.776 1.00 0.00 H new ATOM 0 HG2 GLN A 40 27.177 19.344 -19.679 1.00 0.00 H new ATOM 0 HG3 GLN A 40 28.266 20.256 -18.652 1.00 0.00 H new ATOM 0 HE21 GLN A 40 27.208 19.907 -21.762 1.00 0.00 H new ATOM 0 HE22 GLN A 40 28.606 20.546 -22.632 1.00 0.00 H new ATOM 708 N GLU A 41 27.165 15.619 -18.836 1.00 0.00 N ATOM 709 CA GLU A 41 26.105 14.766 -19.362 1.00 0.00 C ATOM 710 C GLU A 41 25.258 14.191 -18.230 1.00 0.00 C ATOM 711 O GLU A 41 24.062 13.956 -18.394 1.00 0.00 O ATOM 712 CB GLU A 41 26.701 13.630 -20.196 1.00 0.00 C ATOM 713 CG GLU A 41 27.713 12.786 -19.440 1.00 0.00 C ATOM 714 CD GLU A 41 27.083 11.583 -18.766 1.00 0.00 C ATOM 715 OE1 GLU A 41 25.837 11.501 -18.745 1.00 0.00 O ATOM 716 OE2 GLU A 41 27.835 10.724 -18.259 1.00 0.00 O ATOM 0 H GLU A 41 28.104 15.232 -18.931 1.00 0.00 H new ATOM 0 HA GLU A 41 25.464 15.376 -19.998 1.00 0.00 H new ATOM 0 HB2 GLU A 41 25.894 12.987 -20.547 1.00 0.00 H new ATOM 0 HB3 GLU A 41 27.180 14.052 -21.079 1.00 0.00 H new ATOM 0 HG2 GLU A 41 28.486 12.448 -20.130 1.00 0.00 H new ATOM 0 HG3 GLU A 41 28.205 13.403 -18.688 1.00 0.00 H new ATOM 723 N MET A 42 25.889 13.966 -17.082 1.00 0.00 N ATOM 724 CA MET A 42 25.194 13.419 -15.923 1.00 0.00 C ATOM 725 C MET A 42 24.322 14.481 -15.261 1.00 0.00 C ATOM 726 O MET A 42 23.134 14.261 -15.020 1.00 0.00 O ATOM 727 CB MET A 42 26.201 12.867 -14.912 1.00 0.00 C ATOM 728 CG MET A 42 26.673 11.458 -15.232 1.00 0.00 C ATOM 729 SD MET A 42 28.181 11.013 -14.348 1.00 0.00 S ATOM 730 CE MET A 42 27.796 9.338 -13.844 1.00 0.00 C ATOM 0 H MET A 42 26.880 14.154 -16.930 1.00 0.00 H new ATOM 0 HA MET A 42 24.551 12.608 -16.265 1.00 0.00 H new ATOM 0 HB2 MET A 42 27.065 13.531 -14.873 1.00 0.00 H new ATOM 0 HB3 MET A 42 25.749 12.873 -13.920 1.00 0.00 H new ATOM 0 HG2 MET A 42 25.885 10.749 -14.979 1.00 0.00 H new ATOM 0 HG3 MET A 42 26.846 11.372 -16.305 1.00 0.00 H new ATOM 0 HE1 MET A 42 28.604 8.950 -13.225 1.00 0.00 H new ATOM 0 HE2 MET A 42 26.867 9.334 -13.273 1.00 0.00 H new ATOM 0 HE3 MET A 42 27.682 8.710 -14.727 1.00 0.00 H new ATOM 740 N VAL A 43 24.918 15.633 -14.969 1.00 0.00 N ATOM 741 CA VAL A 43 24.194 16.729 -14.336 1.00 0.00 C ATOM 742 C VAL A 43 23.066 17.232 -15.230 1.00 0.00 C ATOM 743 O VAL A 43 21.999 17.608 -14.746 1.00 0.00 O ATOM 744 CB VAL A 43 25.133 17.904 -14.004 1.00 0.00 C ATOM 745 CG1 VAL A 43 25.606 18.587 -15.278 1.00 0.00 C ATOM 746 CG2 VAL A 43 24.440 18.896 -13.083 1.00 0.00 C ATOM 0 H VAL A 43 25.900 15.831 -15.161 1.00 0.00 H new ATOM 0 HA VAL A 43 23.773 16.337 -13.410 1.00 0.00 H new ATOM 0 HB VAL A 43 26.008 17.511 -13.485 1.00 0.00 H new ATOM 0 HG11 VAL A 43 26.268 19.414 -15.023 1.00 0.00 H new ATOM 0 HG12 VAL A 43 26.144 17.869 -15.897 1.00 0.00 H new ATOM 0 HG13 VAL A 43 24.745 18.967 -15.828 1.00 0.00 H new ATOM 0 HG21 VAL A 43 25.118 19.719 -12.859 1.00 0.00 H new ATOM 0 HG22 VAL A 43 23.547 19.284 -13.573 1.00 0.00 H new ATOM 0 HG23 VAL A 43 24.158 18.396 -12.156 1.00 0.00 H new ATOM 756 N GLN A 44 23.310 17.234 -16.537 1.00 0.00 N ATOM 757 CA GLN A 44 22.314 17.691 -17.498 1.00 0.00 C ATOM 758 C GLN A 44 21.220 16.645 -17.687 1.00 0.00 C ATOM 759 O GLN A 44 20.048 16.983 -17.860 1.00 0.00 O ATOM 760 CB GLN A 44 22.976 18.001 -18.842 1.00 0.00 C ATOM 761 CG GLN A 44 23.271 16.764 -19.675 1.00 0.00 C ATOM 762 CD GLN A 44 23.974 17.092 -20.978 1.00 0.00 C ATOM 763 OE1 GLN A 44 25.146 17.469 -20.986 1.00 0.00 O ATOM 764 NE2 GLN A 44 23.260 16.949 -22.088 1.00 0.00 N ATOM 0 H GLN A 44 24.188 16.925 -16.954 1.00 0.00 H new ATOM 0 HA GLN A 44 21.859 18.601 -17.106 1.00 0.00 H new ATOM 0 HB2 GLN A 44 22.328 18.666 -19.412 1.00 0.00 H new ATOM 0 HB3 GLN A 44 23.907 18.539 -18.663 1.00 0.00 H new ATOM 0 HG2 GLN A 44 23.890 16.079 -19.095 1.00 0.00 H new ATOM 0 HG3 GLN A 44 22.337 16.245 -19.891 1.00 0.00 H new ATOM 0 HE21 GLN A 44 22.291 16.634 -22.034 1.00 0.00 H new ATOM 0 HE22 GLN A 44 23.680 17.154 -22.995 1.00 0.00 H new ATOM 773 N ARG A 45 21.609 15.375 -17.653 1.00 0.00 N ATOM 774 CA ARG A 45 20.662 14.280 -17.822 1.00 0.00 C ATOM 775 C ARG A 45 19.925 13.993 -16.517 1.00 0.00 C ATOM 776 O ARG A 45 18.921 13.282 -16.503 1.00 0.00 O ATOM 777 CB ARG A 45 21.385 13.020 -18.300 1.00 0.00 C ATOM 778 CG ARG A 45 20.448 11.877 -18.654 1.00 0.00 C ATOM 779 CD ARG A 45 19.486 12.270 -19.764 1.00 0.00 C ATOM 780 NE ARG A 45 18.759 11.118 -20.292 1.00 0.00 N ATOM 781 CZ ARG A 45 17.711 10.571 -19.687 1.00 0.00 C ATOM 782 NH1 ARG A 45 17.268 11.069 -18.540 1.00 0.00 N ATOM 783 NH2 ARG A 45 17.102 9.524 -20.229 1.00 0.00 N ATOM 0 H ARG A 45 22.574 15.079 -17.510 1.00 0.00 H new ATOM 0 HA ARG A 45 19.932 14.578 -18.574 1.00 0.00 H new ATOM 0 HB2 ARG A 45 21.989 13.267 -19.173 1.00 0.00 H new ATOM 0 HB3 ARG A 45 22.072 12.688 -17.521 1.00 0.00 H new ATOM 0 HG2 ARG A 45 21.031 11.010 -18.966 1.00 0.00 H new ATOM 0 HG3 ARG A 45 19.884 11.580 -17.770 1.00 0.00 H new ATOM 0 HD2 ARG A 45 18.775 13.004 -19.385 1.00 0.00 H new ATOM 0 HD3 ARG A 45 20.040 12.750 -20.571 1.00 0.00 H new ATOM 0 HE ARG A 45 19.073 10.712 -21.173 1.00 0.00 H new ATOM 0 HH11 ARG A 45 17.733 11.874 -18.120 1.00 0.00 H new ATOM 0 HH12 ARG A 45 16.463 10.647 -18.078 1.00 0.00 H new ATOM 0 HH21 ARG A 45 17.439 9.138 -21.111 1.00 0.00 H new ATOM 0 HH22 ARG A 45 16.297 9.105 -19.763 1.00 0.00 H new ATOM 797 N ALA A 46 20.432 14.551 -15.422 1.00 0.00 N ATOM 798 CA ALA A 46 19.822 14.356 -14.113 1.00 0.00 C ATOM 799 C ALA A 46 18.902 15.518 -13.757 1.00 0.00 C ATOM 800 O ALA A 46 17.816 15.319 -13.214 1.00 0.00 O ATOM 801 CB ALA A 46 20.897 14.187 -13.049 1.00 0.00 C ATOM 0 H ALA A 46 21.264 15.142 -15.416 1.00 0.00 H new ATOM 0 HA ALA A 46 19.219 13.449 -14.153 1.00 0.00 H new ATOM 0 HB1 ALA A 46 20.427 14.042 -12.076 1.00 0.00 H new ATOM 0 HB2 ALA A 46 21.512 13.319 -13.288 1.00 0.00 H new ATOM 0 HB3 ALA A 46 21.524 15.078 -13.020 1.00 0.00 H new ATOM 807 N ASN A 47 19.343 16.733 -14.067 1.00 0.00 N ATOM 808 CA ASN A 47 18.559 17.928 -13.779 1.00 0.00 C ATOM 809 C ASN A 47 17.826 18.412 -15.027 1.00 0.00 C ATOM 810 O ASN A 47 16.673 18.834 -14.957 1.00 0.00 O ATOM 811 CB ASN A 47 19.463 19.039 -13.242 1.00 0.00 C ATOM 812 CG ASN A 47 19.718 20.125 -14.270 1.00 0.00 C ATOM 813 OD1 ASN A 47 18.853 20.960 -14.534 1.00 0.00 O ATOM 814 ND2 ASN A 47 20.910 20.117 -14.855 1.00 0.00 N ATOM 0 H ASN A 47 20.240 16.916 -14.518 1.00 0.00 H new ATOM 0 HA ASN A 47 17.819 17.673 -13.021 1.00 0.00 H new ATOM 0 HB2 ASN A 47 19.005 19.481 -12.357 1.00 0.00 H new ATOM 0 HB3 ASN A 47 20.414 18.610 -12.928 1.00 0.00 H new ATOM 0 HD21 ASN A 47 21.139 20.823 -15.555 1.00 0.00 H new ATOM 0 HD22 ASN A 47 21.596 19.405 -14.605 1.00 0.00 H new ATOM 821 N GLY A 48 18.505 18.347 -16.168 1.00 0.00 N ATOM 822 CA GLY A 48 17.903 18.780 -17.415 1.00 0.00 C ATOM 823 C GLY A 48 18.894 19.477 -18.326 1.00 0.00 C ATOM 824 O GLY A 48 18.957 19.189 -19.522 1.00 0.00 O ATOM 0 H GLY A 48 19.461 18.002 -16.251 1.00 0.00 H new ATOM 0 HA2 GLY A 48 17.484 17.916 -17.932 1.00 0.00 H new ATOM 0 HA3 GLY A 48 17.075 19.455 -17.200 1.00 0.00 H new ATOM 828 N ARG A 49 19.670 20.397 -17.762 1.00 0.00 N ATOM 829 CA ARG A 49 20.661 21.138 -18.532 1.00 0.00 C ATOM 830 C ARG A 49 21.578 21.938 -17.612 1.00 0.00 C ATOM 831 O ARG A 49 21.207 23.003 -17.122 1.00 0.00 O ATOM 832 CB ARG A 49 19.969 22.078 -19.522 1.00 0.00 C ATOM 833 CG ARG A 49 20.936 22.895 -20.363 1.00 0.00 C ATOM 834 CD ARG A 49 21.471 22.090 -21.537 1.00 0.00 C ATOM 835 NE ARG A 49 22.212 22.924 -22.480 1.00 0.00 N ATOM 836 CZ ARG A 49 21.632 23.689 -23.398 1.00 0.00 C ATOM 837 NH1 ARG A 49 20.310 23.727 -23.496 1.00 0.00 N ATOM 838 NH2 ARG A 49 22.374 24.420 -24.220 1.00 0.00 N ATOM 0 H ARG A 49 19.631 20.647 -16.774 1.00 0.00 H new ATOM 0 HA ARG A 49 21.266 20.420 -19.085 1.00 0.00 H new ATOM 0 HB2 ARG A 49 19.332 21.491 -20.183 1.00 0.00 H new ATOM 0 HB3 ARG A 49 19.317 22.756 -18.971 1.00 0.00 H new ATOM 0 HG2 ARG A 49 20.433 23.789 -20.732 1.00 0.00 H new ATOM 0 HG3 ARG A 49 21.767 23.230 -19.742 1.00 0.00 H new ATOM 0 HD2 ARG A 49 22.120 21.297 -21.167 1.00 0.00 H new ATOM 0 HD3 ARG A 49 20.641 21.608 -22.054 1.00 0.00 H new ATOM 0 HE ARG A 49 23.231 22.919 -22.431 1.00 0.00 H new ATOM 0 HH11 ARG A 49 19.736 23.168 -22.865 1.00 0.00 H new ATOM 0 HH12 ARG A 49 19.868 24.315 -24.202 1.00 0.00 H new ATOM 0 HH21 ARG A 49 23.391 24.395 -24.147 1.00 0.00 H new ATOM 0 HH22 ARG A 49 21.927 25.007 -24.924 1.00 0.00 H new ATOM 852 N ASN A 50 22.778 21.414 -17.381 1.00 0.00 N ATOM 853 CA ASN A 50 23.748 22.079 -16.518 1.00 0.00 C ATOM 854 C ASN A 50 25.172 21.685 -16.898 1.00 0.00 C ATOM 855 O ASN A 50 25.412 20.587 -17.401 1.00 0.00 O ATOM 856 CB ASN A 50 23.483 21.728 -15.053 1.00 0.00 C ATOM 857 CG ASN A 50 24.439 22.431 -14.108 1.00 0.00 C ATOM 858 OD1 ASN A 50 25.554 21.965 -13.875 1.00 0.00 O ATOM 859 ND2 ASN A 50 24.004 23.560 -13.559 1.00 0.00 N ATOM 0 H ASN A 50 23.101 20.532 -17.779 1.00 0.00 H new ATOM 0 HA ASN A 50 23.639 23.155 -16.652 1.00 0.00 H new ATOM 0 HB2 ASN A 50 22.459 21.999 -14.797 1.00 0.00 H new ATOM 0 HB3 ASN A 50 23.571 20.650 -14.919 1.00 0.00 H new ATOM 0 HD21 ASN A 50 24.602 24.078 -12.915 1.00 0.00 H new ATOM 0 HD22 ASN A 50 23.072 23.909 -13.781 1.00 0.00 H new ATOM 866 N THR A 51 26.116 22.589 -16.652 1.00 0.00 N ATOM 867 CA THR A 51 27.516 22.337 -16.968 1.00 0.00 C ATOM 868 C THR A 51 28.433 22.899 -15.887 1.00 0.00 C ATOM 869 O THR A 51 29.409 23.588 -16.183 1.00 0.00 O ATOM 870 CB THR A 51 27.905 22.952 -18.325 1.00 0.00 C ATOM 871 OG1 THR A 51 29.283 22.681 -18.609 1.00 0.00 O ATOM 872 CG2 THR A 51 27.668 24.454 -18.327 1.00 0.00 C ATOM 0 H THR A 51 25.936 23.502 -16.235 1.00 0.00 H new ATOM 0 HA THR A 51 27.639 21.255 -17.019 1.00 0.00 H new ATOM 0 HB THR A 51 27.280 22.501 -19.095 1.00 0.00 H new ATOM 0 HG1 THR A 51 29.840 23.016 -17.876 1.00 0.00 H new ATOM 0 HG21 THR A 51 27.950 24.866 -19.296 1.00 0.00 H new ATOM 0 HG22 THR A 51 26.613 24.656 -18.140 1.00 0.00 H new ATOM 0 HG23 THR A 51 28.270 24.918 -17.546 1.00 0.00 H new ATOM 880 N PHE A 52 28.114 22.599 -14.632 1.00 0.00 N ATOM 881 CA PHE A 52 28.910 23.074 -13.507 1.00 0.00 C ATOM 882 C PHE A 52 28.817 22.108 -12.329 1.00 0.00 C ATOM 883 O PHE A 52 27.824 21.403 -12.148 1.00 0.00 O ATOM 884 CB PHE A 52 28.444 24.466 -13.077 1.00 0.00 C ATOM 885 CG PHE A 52 28.706 25.530 -14.105 1.00 0.00 C ATOM 886 CD1 PHE A 52 29.957 26.118 -14.208 1.00 0.00 C ATOM 887 CD2 PHE A 52 27.703 25.941 -14.967 1.00 0.00 C ATOM 888 CE1 PHE A 52 30.200 27.098 -15.153 1.00 0.00 C ATOM 889 CE2 PHE A 52 27.941 26.920 -15.914 1.00 0.00 C ATOM 890 CZ PHE A 52 29.192 27.498 -16.007 1.00 0.00 C ATOM 0 H PHE A 52 27.310 22.029 -14.369 1.00 0.00 H new ATOM 0 HA PHE A 52 29.950 23.130 -13.828 1.00 0.00 H new ATOM 0 HB2 PHE A 52 27.376 24.433 -12.864 1.00 0.00 H new ATOM 0 HB3 PHE A 52 28.946 24.738 -12.148 1.00 0.00 H new ATOM 0 HD1 PHE A 52 30.750 25.808 -13.544 1.00 0.00 H new ATOM 0 HD2 PHE A 52 26.723 25.492 -14.899 1.00 0.00 H new ATOM 0 HE1 PHE A 52 31.178 27.550 -15.223 1.00 0.00 H new ATOM 0 HE2 PHE A 52 27.150 27.232 -16.580 1.00 0.00 H new ATOM 0 HZ PHE A 52 29.381 28.262 -16.747 1.00 0.00 H new ATOM 900 N PRO A 53 29.877 22.074 -11.507 1.00 0.00 N ATOM 901 CA PRO A 53 29.940 21.200 -10.332 1.00 0.00 C ATOM 902 C PRO A 53 28.978 21.636 -9.233 1.00 0.00 C ATOM 903 O PRO A 53 28.695 22.824 -9.079 1.00 0.00 O ATOM 904 CB PRO A 53 31.390 21.342 -9.862 1.00 0.00 C ATOM 905 CG PRO A 53 31.821 22.677 -10.362 1.00 0.00 C ATOM 906 CD PRO A 53 31.095 22.887 -11.662 1.00 0.00 C ATOM 0 HA PRO A 53 29.653 20.176 -10.570 1.00 0.00 H new ATOM 0 HB2 PRO A 53 31.462 21.284 -8.776 1.00 0.00 H new ATOM 0 HB3 PRO A 53 32.017 20.547 -10.266 1.00 0.00 H new ATOM 0 HG2 PRO A 53 31.573 23.460 -9.646 1.00 0.00 H new ATOM 0 HG3 PRO A 53 32.901 22.709 -10.508 1.00 0.00 H new ATOM 0 HD2 PRO A 53 30.858 23.938 -11.825 1.00 0.00 H new ATOM 0 HD3 PRO A 53 31.692 22.559 -12.513 1.00 0.00 H new ATOM 914 N GLN A 54 28.479 20.668 -8.471 1.00 0.00 N ATOM 915 CA GLN A 54 27.548 20.954 -7.385 1.00 0.00 C ATOM 916 C GLN A 54 27.156 19.674 -6.654 1.00 0.00 C ATOM 917 O GLN A 54 27.577 18.580 -7.029 1.00 0.00 O ATOM 918 CB GLN A 54 26.298 21.649 -7.927 1.00 0.00 C ATOM 919 CG GLN A 54 25.758 21.023 -9.203 1.00 0.00 C ATOM 920 CD GLN A 54 25.291 19.596 -9.000 1.00 0.00 C ATOM 921 OE1 GLN A 54 25.622 18.704 -9.782 1.00 0.00 O ATOM 922 NE2 GLN A 54 24.516 19.370 -7.945 1.00 0.00 N ATOM 0 H GLN A 54 28.703 19.680 -8.585 1.00 0.00 H new ATOM 0 HA GLN A 54 28.046 21.617 -6.678 1.00 0.00 H new ATOM 0 HB2 GLN A 54 25.520 21.626 -7.164 1.00 0.00 H new ATOM 0 HB3 GLN A 54 26.529 22.697 -8.116 1.00 0.00 H new ATOM 0 HG2 GLN A 54 24.928 21.624 -9.575 1.00 0.00 H new ATOM 0 HG3 GLN A 54 26.533 21.042 -9.969 1.00 0.00 H new ATOM 0 HE21 GLN A 54 24.266 20.138 -7.322 1.00 0.00 H new ATOM 0 HE22 GLN A 54 24.171 18.428 -7.758 1.00 0.00 H new ATOM 931 N ILE A 55 26.348 19.820 -5.609 1.00 0.00 N ATOM 932 CA ILE A 55 25.899 18.676 -4.826 1.00 0.00 C ATOM 933 C ILE A 55 24.481 18.268 -5.211 1.00 0.00 C ATOM 934 O ILE A 55 23.537 19.044 -5.059 1.00 0.00 O ATOM 935 CB ILE A 55 25.942 18.975 -3.316 1.00 0.00 C ATOM 936 CG1 ILE A 55 27.383 19.221 -2.863 1.00 0.00 C ATOM 937 CG2 ILE A 55 25.323 17.829 -2.530 1.00 0.00 C ATOM 938 CD1 ILE A 55 27.855 20.639 -3.093 1.00 0.00 C ATOM 0 H ILE A 55 25.991 20.719 -5.285 1.00 0.00 H new ATOM 0 HA ILE A 55 26.583 17.856 -5.046 1.00 0.00 H new ATOM 0 HB ILE A 55 25.361 19.877 -3.124 1.00 0.00 H new ATOM 0 HG12 ILE A 55 27.467 18.987 -1.802 1.00 0.00 H new ATOM 0 HG13 ILE A 55 28.044 18.536 -3.394 1.00 0.00 H new ATOM 0 HG21 ILE A 55 25.361 18.056 -1.465 1.00 0.00 H new ATOM 0 HG22 ILE A 55 24.285 17.697 -2.836 1.00 0.00 H new ATOM 0 HG23 ILE A 55 25.878 16.912 -2.726 1.00 0.00 H new ATOM 0 HD11 ILE A 55 28.884 20.740 -2.748 1.00 0.00 H new ATOM 0 HD12 ILE A 55 27.804 20.871 -4.157 1.00 0.00 H new ATOM 0 HD13 ILE A 55 27.218 21.329 -2.540 1.00 0.00 H new ATOM 950 N PHE A 56 24.338 17.045 -5.711 1.00 0.00 N ATOM 951 CA PHE A 56 23.035 16.533 -6.118 1.00 0.00 C ATOM 952 C PHE A 56 22.402 15.707 -5.002 1.00 0.00 C ATOM 953 O PHE A 56 23.080 14.928 -4.331 1.00 0.00 O ATOM 954 CB PHE A 56 23.170 15.683 -7.383 1.00 0.00 C ATOM 955 CG PHE A 56 22.290 16.142 -8.510 1.00 0.00 C ATOM 956 CD1 PHE A 56 20.992 15.672 -8.629 1.00 0.00 C ATOM 957 CD2 PHE A 56 22.761 17.043 -9.451 1.00 0.00 C ATOM 958 CE1 PHE A 56 20.180 16.093 -9.665 1.00 0.00 C ATOM 959 CE2 PHE A 56 21.954 17.468 -10.489 1.00 0.00 C ATOM 960 CZ PHE A 56 20.662 16.991 -10.597 1.00 0.00 C ATOM 0 H PHE A 56 25.109 16.390 -5.844 1.00 0.00 H new ATOM 0 HA PHE A 56 22.387 17.384 -6.328 1.00 0.00 H new ATOM 0 HB2 PHE A 56 24.209 15.700 -7.713 1.00 0.00 H new ATOM 0 HB3 PHE A 56 22.929 14.648 -7.143 1.00 0.00 H new ATOM 0 HD1 PHE A 56 20.610 14.969 -7.904 1.00 0.00 H new ATOM 0 HD2 PHE A 56 23.771 17.418 -9.372 1.00 0.00 H new ATOM 0 HE1 PHE A 56 19.170 15.720 -9.746 1.00 0.00 H new ATOM 0 HE2 PHE A 56 22.333 18.172 -11.215 1.00 0.00 H new ATOM 0 HZ PHE A 56 20.030 17.320 -11.409 1.00 0.00 H new ATOM 970 N ILE A 57 21.100 15.884 -4.808 1.00 0.00 N ATOM 971 CA ILE A 57 20.375 15.155 -3.775 1.00 0.00 C ATOM 972 C ILE A 57 18.951 14.840 -4.220 1.00 0.00 C ATOM 973 O ILE A 57 18.176 15.740 -4.541 1.00 0.00 O ATOM 974 CB ILE A 57 20.325 15.950 -2.456 1.00 0.00 C ATOM 975 CG1 ILE A 57 19.984 17.416 -2.731 1.00 0.00 C ATOM 976 CG2 ILE A 57 21.651 15.838 -1.720 1.00 0.00 C ATOM 977 CD1 ILE A 57 19.520 18.169 -1.504 1.00 0.00 C ATOM 0 H ILE A 57 20.525 16.526 -5.353 1.00 0.00 H new ATOM 0 HA ILE A 57 20.915 14.223 -3.608 1.00 0.00 H new ATOM 0 HB ILE A 57 19.544 15.528 -1.824 1.00 0.00 H new ATOM 0 HG12 ILE A 57 20.862 17.914 -3.142 1.00 0.00 H new ATOM 0 HG13 ILE A 57 19.205 17.463 -3.492 1.00 0.00 H new ATOM 0 HG21 ILE A 57 21.600 16.405 -0.790 1.00 0.00 H new ATOM 0 HG22 ILE A 57 21.855 14.791 -1.496 1.00 0.00 H new ATOM 0 HG23 ILE A 57 22.449 16.238 -2.345 1.00 0.00 H new ATOM 0 HD11 ILE A 57 19.296 19.201 -1.774 1.00 0.00 H new ATOM 0 HD12 ILE A 57 18.623 17.696 -1.104 1.00 0.00 H new ATOM 0 HD13 ILE A 57 20.306 18.154 -0.749 1.00 0.00 H new ATOM 989 N GLY A 58 18.612 13.554 -4.234 1.00 0.00 N ATOM 990 CA GLY A 58 17.281 13.143 -4.639 1.00 0.00 C ATOM 991 C GLY A 58 16.862 13.755 -5.961 1.00 0.00 C ATOM 992 O GLY A 58 15.733 14.225 -6.106 1.00 0.00 O ATOM 0 H GLY A 58 19.235 12.790 -3.972 1.00 0.00 H new ATOM 0 HA2 GLY A 58 17.248 12.056 -4.719 1.00 0.00 H new ATOM 0 HA3 GLY A 58 16.566 13.428 -3.867 1.00 0.00 H new ATOM 996 N ASP A 59 17.773 13.752 -6.928 1.00 0.00 N ATOM 997 CA ASP A 59 17.493 14.312 -8.245 1.00 0.00 C ATOM 998 C ASP A 59 17.268 15.818 -8.158 1.00 0.00 C ATOM 999 O ASP A 59 16.547 16.396 -8.972 1.00 0.00 O ATOM 1000 CB ASP A 59 16.267 13.635 -8.860 1.00 0.00 C ATOM 1001 CG ASP A 59 16.153 12.176 -8.467 1.00 0.00 C ATOM 1002 OD1 ASP A 59 17.040 11.386 -8.855 1.00 0.00 O ATOM 1003 OD2 ASP A 59 15.178 11.822 -7.772 1.00 0.00 O ATOM 0 H ASP A 59 18.712 13.368 -6.824 1.00 0.00 H new ATOM 0 HA ASP A 59 18.358 14.128 -8.883 1.00 0.00 H new ATOM 0 HB2 ASP A 59 15.367 14.164 -8.546 1.00 0.00 H new ATOM 0 HB3 ASP A 59 16.319 13.713 -9.946 1.00 0.00 H new ATOM 1008 N TYR A 60 17.889 16.448 -7.167 1.00 0.00 N ATOM 1009 CA TYR A 60 17.754 17.886 -6.971 1.00 0.00 C ATOM 1010 C TYR A 60 19.101 18.520 -6.638 1.00 0.00 C ATOM 1011 O TYR A 60 19.646 18.315 -5.553 1.00 0.00 O ATOM 1012 CB TYR A 60 16.750 18.179 -5.855 1.00 0.00 C ATOM 1013 CG TYR A 60 16.811 19.600 -5.343 1.00 0.00 C ATOM 1014 CD1 TYR A 60 16.054 20.605 -5.935 1.00 0.00 C ATOM 1015 CD2 TYR A 60 17.624 19.940 -4.269 1.00 0.00 C ATOM 1016 CE1 TYR A 60 16.106 21.905 -5.472 1.00 0.00 C ATOM 1017 CE2 TYR A 60 17.682 21.237 -3.799 1.00 0.00 C ATOM 1018 CZ TYR A 60 16.921 22.216 -4.403 1.00 0.00 C ATOM 1019 OH TYR A 60 16.977 23.510 -3.938 1.00 0.00 O ATOM 0 H TYR A 60 18.491 15.985 -6.487 1.00 0.00 H new ATOM 0 HA TYR A 60 17.389 18.320 -7.902 1.00 0.00 H new ATOM 0 HB2 TYR A 60 15.743 17.977 -6.221 1.00 0.00 H new ATOM 0 HB3 TYR A 60 16.931 17.495 -5.026 1.00 0.00 H new ATOM 0 HD1 TYR A 60 15.414 20.365 -6.771 1.00 0.00 H new ATOM 0 HD2 TYR A 60 18.221 19.176 -3.793 1.00 0.00 H new ATOM 0 HE1 TYR A 60 15.512 22.674 -5.944 1.00 0.00 H new ATOM 0 HE2 TYR A 60 18.320 21.484 -2.963 1.00 0.00 H new ATOM 0 HH TYR A 60 17.597 23.559 -3.181 1.00 0.00 H new ATOM 1029 N HIS A 61 19.634 19.292 -7.580 1.00 0.00 N ATOM 1030 CA HIS A 61 20.917 19.958 -7.388 1.00 0.00 C ATOM 1031 C HIS A 61 20.819 21.023 -6.300 1.00 0.00 C ATOM 1032 O HIS A 61 19.805 21.710 -6.179 1.00 0.00 O ATOM 1033 CB HIS A 61 21.388 20.591 -8.698 1.00 0.00 C ATOM 1034 CG HIS A 61 20.340 21.420 -9.373 1.00 0.00 C ATOM 1035 ND1 HIS A 61 19.418 20.895 -10.254 1.00 0.00 N ATOM 1036 CD2 HIS A 61 20.069 22.744 -9.291 1.00 0.00 C ATOM 1037 CE1 HIS A 61 18.627 21.861 -10.687 1.00 0.00 C ATOM 1038 NE2 HIS A 61 19.000 22.992 -10.117 1.00 0.00 N ATOM 0 H HIS A 61 19.197 19.472 -8.484 1.00 0.00 H new ATOM 0 HA HIS A 61 21.644 19.209 -7.074 1.00 0.00 H new ATOM 0 HB2 HIS A 61 22.260 21.214 -8.498 1.00 0.00 H new ATOM 0 HB3 HIS A 61 21.709 19.802 -9.378 1.00 0.00 H new ATOM 0 HD2 HIS A 61 20.595 23.470 -8.689 1.00 0.00 H new ATOM 0 HE1 HIS A 61 17.814 21.745 -11.388 1.00 0.00 H new ATOM 0 HE2 HIS A 61 18.565 23.902 -10.266 1.00 0.00 H new ATOM 1046 N VAL A 62 21.880 21.154 -5.510 1.00 0.00 N ATOM 1047 CA VAL A 62 21.914 22.136 -4.432 1.00 0.00 C ATOM 1048 C VAL A 62 22.802 23.320 -4.796 1.00 0.00 C ATOM 1049 O VAL A 62 22.317 24.430 -5.011 1.00 0.00 O ATOM 1050 CB VAL A 62 22.422 21.510 -3.120 1.00 0.00 C ATOM 1051 CG1 VAL A 62 22.550 22.571 -2.037 1.00 0.00 C ATOM 1052 CG2 VAL A 62 21.498 20.388 -2.671 1.00 0.00 C ATOM 0 H VAL A 62 22.727 20.593 -5.596 1.00 0.00 H new ATOM 0 HA VAL A 62 20.891 22.484 -4.287 1.00 0.00 H new ATOM 0 HB VAL A 62 23.410 21.086 -3.299 1.00 0.00 H new ATOM 0 HG11 VAL A 62 22.910 22.110 -1.117 1.00 0.00 H new ATOM 0 HG12 VAL A 62 23.255 23.337 -2.360 1.00 0.00 H new ATOM 0 HG13 VAL A 62 21.576 23.027 -1.857 1.00 0.00 H new ATOM 0 HG21 VAL A 62 21.873 19.958 -1.742 1.00 0.00 H new ATOM 0 HG22 VAL A 62 20.496 20.785 -2.508 1.00 0.00 H new ATOM 0 HG23 VAL A 62 21.462 19.616 -3.440 1.00 0.00 H new ATOM 1062 N GLY A 63 24.107 23.076 -4.862 1.00 0.00 N ATOM 1063 CA GLY A 63 25.043 24.133 -5.200 1.00 0.00 C ATOM 1064 C GLY A 63 26.370 23.983 -4.483 1.00 0.00 C ATOM 1065 O GLY A 63 27.331 23.459 -5.045 1.00 0.00 O ATOM 0 H GLY A 63 24.533 22.166 -4.688 1.00 0.00 H new ATOM 0 HA2 GLY A 63 25.213 24.133 -6.277 1.00 0.00 H new ATOM 0 HA3 GLY A 63 24.604 25.098 -4.947 1.00 0.00 H new ATOM 1069 N GLY A 64 26.425 24.445 -3.238 1.00 0.00 N ATOM 1070 CA GLY A 64 27.649 24.352 -2.465 1.00 0.00 C ATOM 1071 C GLY A 64 27.605 23.236 -1.440 1.00 0.00 C ATOM 1072 O GLY A 64 26.556 22.629 -1.219 1.00 0.00 O ATOM 0 H GLY A 64 25.643 24.882 -2.751 1.00 0.00 H new ATOM 0 HA2 GLY A 64 28.489 24.188 -3.140 1.00 0.00 H new ATOM 0 HA3 GLY A 64 27.827 25.300 -1.958 1.00 0.00 H new ATOM 1076 N CYS A 65 28.744 22.963 -0.815 1.00 0.00 N ATOM 1077 CA CYS A 65 28.832 21.909 0.191 1.00 0.00 C ATOM 1078 C CYS A 65 28.130 22.328 1.478 1.00 0.00 C ATOM 1079 O CYS A 65 27.173 21.686 1.912 1.00 0.00 O ATOM 1080 CB CYS A 65 30.295 21.572 0.479 1.00 0.00 C ATOM 1081 SG CYS A 65 30.528 20.394 1.831 1.00 0.00 S ATOM 0 H CYS A 65 29.620 23.456 -0.986 1.00 0.00 H new ATOM 0 HA CYS A 65 28.334 21.022 -0.201 1.00 0.00 H new ATOM 0 HB2 CYS A 65 30.748 21.165 -0.425 1.00 0.00 H new ATOM 0 HB3 CYS A 65 30.829 22.492 0.717 1.00 0.00 H new ATOM 0 HG CYS A 65 31.716 19.871 1.751 1.00 0.00 H new ATOM 1087 N ASP A 66 28.613 23.406 2.086 1.00 0.00 N ATOM 1088 CA ASP A 66 28.033 23.909 3.325 1.00 0.00 C ATOM 1089 C ASP A 66 26.535 24.150 3.166 1.00 0.00 C ATOM 1090 O ASP A 66 25.783 24.113 4.140 1.00 0.00 O ATOM 1091 CB ASP A 66 28.727 25.205 3.749 1.00 0.00 C ATOM 1092 CG ASP A 66 28.603 26.296 2.705 1.00 0.00 C ATOM 1093 OD1 ASP A 66 27.499 26.864 2.567 1.00 0.00 O ATOM 1094 OD2 ASP A 66 29.611 26.584 2.025 1.00 0.00 O ATOM 0 H ASP A 66 29.405 23.948 1.741 1.00 0.00 H new ATOM 0 HA ASP A 66 28.182 23.155 4.098 1.00 0.00 H new ATOM 0 HB2 ASP A 66 28.297 25.554 4.688 1.00 0.00 H new ATOM 0 HB3 ASP A 66 29.782 25.004 3.937 1.00 0.00 H new ATOM 1099 N ASP A 67 26.108 24.395 1.932 1.00 0.00 N ATOM 1100 CA ASP A 67 24.700 24.641 1.644 1.00 0.00 C ATOM 1101 C ASP A 67 23.826 23.533 2.222 1.00 0.00 C ATOM 1102 O ASP A 67 22.816 23.800 2.875 1.00 0.00 O ATOM 1103 CB ASP A 67 24.477 24.749 0.135 1.00 0.00 C ATOM 1104 CG ASP A 67 25.216 25.923 -0.477 1.00 0.00 C ATOM 1105 OD1 ASP A 67 26.434 26.049 -0.234 1.00 0.00 O ATOM 1106 OD2 ASP A 67 24.575 26.717 -1.198 1.00 0.00 O ATOM 0 H ASP A 67 26.717 24.429 1.115 1.00 0.00 H new ATOM 0 HA ASP A 67 24.418 25.584 2.113 1.00 0.00 H new ATOM 0 HB2 ASP A 67 24.805 23.827 -0.345 1.00 0.00 H new ATOM 0 HB3 ASP A 67 23.410 24.850 -0.065 1.00 0.00 H new ATOM 1111 N LEU A 68 24.219 22.288 1.977 1.00 0.00 N ATOM 1112 CA LEU A 68 23.471 21.138 2.472 1.00 0.00 C ATOM 1113 C LEU A 68 23.385 21.158 3.995 1.00 0.00 C ATOM 1114 O LEU A 68 22.356 20.809 4.573 1.00 0.00 O ATOM 1115 CB LEU A 68 24.127 19.838 2.004 1.00 0.00 C ATOM 1116 CG LEU A 68 25.374 19.401 2.773 1.00 0.00 C ATOM 1117 CD1 LEU A 68 24.992 18.529 3.958 1.00 0.00 C ATOM 1118 CD2 LEU A 68 26.336 18.663 1.853 1.00 0.00 C ATOM 0 H LEU A 68 25.052 22.049 1.438 1.00 0.00 H new ATOM 0 HA LEU A 68 22.460 21.193 2.069 1.00 0.00 H new ATOM 0 HB2 LEU A 68 23.388 19.039 2.065 1.00 0.00 H new ATOM 0 HB3 LEU A 68 24.392 19.946 0.952 1.00 0.00 H new ATOM 0 HG LEU A 68 25.875 20.292 3.151 1.00 0.00 H new ATOM 0 HD11 LEU A 68 25.892 18.228 4.493 1.00 0.00 H new ATOM 0 HD12 LEU A 68 24.342 19.091 4.629 1.00 0.00 H new ATOM 0 HD13 LEU A 68 24.467 17.642 3.603 1.00 0.00 H new ATOM 0 HD21 LEU A 68 27.218 18.359 2.417 1.00 0.00 H new ATOM 0 HD22 LEU A 68 25.844 17.780 1.445 1.00 0.00 H new ATOM 0 HD23 LEU A 68 26.636 19.321 1.037 1.00 0.00 H new ATOM 1130 N TYR A 69 24.472 21.570 4.637 1.00 0.00 N ATOM 1131 CA TYR A 69 24.520 21.636 6.093 1.00 0.00 C ATOM 1132 C TYR A 69 23.583 22.718 6.621 1.00 0.00 C ATOM 1133 O TYR A 69 22.734 22.458 7.473 1.00 0.00 O ATOM 1134 CB TYR A 69 25.949 21.909 6.565 1.00 0.00 C ATOM 1135 CG TYR A 69 26.558 20.766 7.345 1.00 0.00 C ATOM 1136 CD1 TYR A 69 27.116 19.673 6.692 1.00 0.00 C ATOM 1137 CD2 TYR A 69 26.577 20.778 8.734 1.00 0.00 C ATOM 1138 CE1 TYR A 69 27.673 18.626 7.401 1.00 0.00 C ATOM 1139 CE2 TYR A 69 27.133 19.736 9.451 1.00 0.00 C ATOM 1140 CZ TYR A 69 27.679 18.662 8.779 1.00 0.00 C ATOM 1141 OH TYR A 69 28.234 17.622 9.489 1.00 0.00 O ATOM 0 H TYR A 69 25.332 21.863 4.173 1.00 0.00 H new ATOM 0 HA TYR A 69 24.192 20.674 6.486 1.00 0.00 H new ATOM 0 HB2 TYR A 69 26.575 22.120 5.698 1.00 0.00 H new ATOM 0 HB3 TYR A 69 25.953 22.804 7.186 1.00 0.00 H new ATOM 0 HD1 TYR A 69 27.114 19.642 5.612 1.00 0.00 H new ATOM 0 HD2 TYR A 69 26.149 21.617 9.263 1.00 0.00 H new ATOM 0 HE1 TYR A 69 28.101 17.784 6.878 1.00 0.00 H new ATOM 0 HE2 TYR A 69 27.140 19.762 10.531 1.00 0.00 H new ATOM 0 HH TYR A 69 28.158 17.804 10.449 1.00 0.00 H new ATOM 1151 N ALA A 70 23.743 23.933 6.107 1.00 0.00 N ATOM 1152 CA ALA A 70 22.910 25.055 6.523 1.00 0.00 C ATOM 1153 C ALA A 70 21.429 24.722 6.378 1.00 0.00 C ATOM 1154 O ALA A 70 20.635 24.972 7.285 1.00 0.00 O ATOM 1155 CB ALA A 70 23.256 26.297 5.716 1.00 0.00 C ATOM 0 H ALA A 70 24.442 24.166 5.402 1.00 0.00 H new ATOM 0 HA ALA A 70 23.109 25.253 7.576 1.00 0.00 H new ATOM 0 HB1 ALA A 70 22.626 27.127 6.037 1.00 0.00 H new ATOM 0 HB2 ALA A 70 24.303 26.554 5.874 1.00 0.00 H new ATOM 0 HB3 ALA A 70 23.087 26.102 4.657 1.00 0.00 H new ATOM 1161 N LEU A 71 21.064 24.159 5.232 1.00 0.00 N ATOM 1162 CA LEU A 71 19.677 23.793 4.967 1.00 0.00 C ATOM 1163 C LEU A 71 19.181 22.769 5.982 1.00 0.00 C ATOM 1164 O LEU A 71 18.119 22.939 6.581 1.00 0.00 O ATOM 1165 CB LEU A 71 19.538 23.233 3.550 1.00 0.00 C ATOM 1166 CG LEU A 71 19.210 24.249 2.456 1.00 0.00 C ATOM 1167 CD1 LEU A 71 19.191 23.576 1.092 1.00 0.00 C ATOM 1168 CD2 LEU A 71 17.877 24.926 2.738 1.00 0.00 C ATOM 0 H LEU A 71 21.709 23.946 4.471 1.00 0.00 H new ATOM 0 HA LEU A 71 19.066 24.691 5.057 1.00 0.00 H new ATOM 0 HB2 LEU A 71 20.470 22.733 3.286 1.00 0.00 H new ATOM 0 HB3 LEU A 71 18.758 22.472 3.557 1.00 0.00 H new ATOM 0 HG LEU A 71 19.988 25.013 2.451 1.00 0.00 H new ATOM 0 HD11 LEU A 71 18.956 24.314 0.325 1.00 0.00 H new ATOM 0 HD12 LEU A 71 20.169 23.140 0.888 1.00 0.00 H new ATOM 0 HD13 LEU A 71 18.435 22.791 1.084 1.00 0.00 H new ATOM 0 HD21 LEU A 71 17.660 25.646 1.949 1.00 0.00 H new ATOM 0 HD22 LEU A 71 17.087 24.175 2.771 1.00 0.00 H new ATOM 0 HD23 LEU A 71 17.927 25.443 3.696 1.00 0.00 H new ATOM 1180 N GLU A 72 19.957 21.706 6.171 1.00 0.00 N ATOM 1181 CA GLU A 72 19.597 20.656 7.116 1.00 0.00 C ATOM 1182 C GLU A 72 19.391 21.229 8.515 1.00 0.00 C ATOM 1183 O GLU A 72 18.588 20.718 9.295 1.00 0.00 O ATOM 1184 CB GLU A 72 20.680 19.576 7.150 1.00 0.00 C ATOM 1185 CG GLU A 72 21.543 19.618 8.400 1.00 0.00 C ATOM 1186 CD GLU A 72 22.740 18.691 8.315 1.00 0.00 C ATOM 1187 OE1 GLU A 72 22.539 17.459 8.349 1.00 0.00 O ATOM 1188 OE2 GLU A 72 23.877 19.197 8.214 1.00 0.00 O ATOM 0 H GLU A 72 20.839 21.550 5.682 1.00 0.00 H new ATOM 0 HA GLU A 72 18.660 20.210 6.783 1.00 0.00 H new ATOM 0 HB2 GLU A 72 20.207 18.597 7.078 1.00 0.00 H new ATOM 0 HB3 GLU A 72 21.319 19.686 6.274 1.00 0.00 H new ATOM 0 HG2 GLU A 72 21.890 20.638 8.563 1.00 0.00 H new ATOM 0 HG3 GLU A 72 20.937 19.345 9.264 1.00 0.00 H new ATOM 1195 N ASN A 73 20.122 22.295 8.825 1.00 0.00 N ATOM 1196 CA ASN A 73 20.021 22.938 10.130 1.00 0.00 C ATOM 1197 C ASN A 73 18.875 23.945 10.153 1.00 0.00 C ATOM 1198 O ASN A 73 18.316 24.242 11.209 1.00 0.00 O ATOM 1199 CB ASN A 73 21.336 23.636 10.481 1.00 0.00 C ATOM 1200 CG ASN A 73 21.206 24.539 11.693 1.00 0.00 C ATOM 1201 OD1 ASN A 73 20.849 25.711 11.572 1.00 0.00 O ATOM 1202 ND2 ASN A 73 21.497 23.995 12.869 1.00 0.00 N ATOM 0 H ASN A 73 20.791 22.732 8.190 1.00 0.00 H new ATOM 0 HA ASN A 73 19.818 22.167 10.873 1.00 0.00 H new ATOM 0 HB2 ASN A 73 22.103 22.885 10.671 1.00 0.00 H new ATOM 0 HB3 ASN A 73 21.671 24.225 9.627 1.00 0.00 H new ATOM 0 HD21 ASN A 73 21.429 24.553 13.720 1.00 0.00 H new ATOM 0 HD22 ASN A 73 21.789 23.019 12.921 1.00 0.00 H new ATOM 1209 N LYS A 74 18.530 24.467 8.981 1.00 0.00 N ATOM 1210 CA LYS A 74 17.450 25.439 8.864 1.00 0.00 C ATOM 1211 C LYS A 74 16.090 24.751 8.920 1.00 0.00 C ATOM 1212 O LYS A 74 15.080 25.376 9.241 1.00 0.00 O ATOM 1213 CB LYS A 74 17.582 26.225 7.557 1.00 0.00 C ATOM 1214 CG LYS A 74 18.635 27.318 7.609 1.00 0.00 C ATOM 1215 CD LYS A 74 18.269 28.398 8.613 1.00 0.00 C ATOM 1216 CE LYS A 74 16.947 29.063 8.259 1.00 0.00 C ATOM 1217 NZ LYS A 74 16.930 29.548 6.851 1.00 0.00 N ATOM 0 H LYS A 74 18.983 24.233 8.098 1.00 0.00 H new ATOM 0 HA LYS A 74 17.524 26.129 9.705 1.00 0.00 H new ATOM 0 HB2 LYS A 74 17.827 25.534 6.750 1.00 0.00 H new ATOM 0 HB3 LYS A 74 16.618 26.672 7.312 1.00 0.00 H new ATOM 0 HG2 LYS A 74 19.599 26.884 7.876 1.00 0.00 H new ATOM 0 HG3 LYS A 74 18.748 27.763 6.620 1.00 0.00 H new ATOM 0 HD2 LYS A 74 18.203 27.962 9.610 1.00 0.00 H new ATOM 0 HD3 LYS A 74 19.058 29.149 8.645 1.00 0.00 H new ATOM 0 HE2 LYS A 74 16.132 28.354 8.409 1.00 0.00 H new ATOM 0 HE3 LYS A 74 16.769 29.900 8.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 16.116 30.181 6.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 17.810 30.066 6.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 16.852 28.737 6.205 1.00 0.00 H new ATOM 1231 N GLY A 75 16.072 23.459 8.607 1.00 0.00 N ATOM 1232 CA GLY A 75 14.831 22.707 8.629 1.00 0.00 C ATOM 1233 C GLY A 75 14.628 21.885 7.372 1.00 0.00 C ATOM 1234 O GLY A 75 13.629 21.178 7.237 1.00 0.00 O ATOM 0 H GLY A 75 16.895 22.920 8.339 1.00 0.00 H new ATOM 0 HA2 GLY A 75 14.826 22.046 9.496 1.00 0.00 H new ATOM 0 HA3 GLY A 75 13.995 23.396 8.748 1.00 0.00 H new ATOM 1238 N LYS A 76 15.577 21.978 6.447 1.00 0.00 N ATOM 1239 CA LYS A 76 15.499 21.238 5.193 1.00 0.00 C ATOM 1240 C LYS A 76 16.064 19.830 5.356 1.00 0.00 C ATOM 1241 O LYS A 76 16.202 19.089 4.382 1.00 0.00 O ATOM 1242 CB LYS A 76 16.259 21.979 4.091 1.00 0.00 C ATOM 1243 CG LYS A 76 15.356 22.727 3.126 1.00 0.00 C ATOM 1244 CD LYS A 76 14.539 23.791 3.838 1.00 0.00 C ATOM 1245 CE LYS A 76 14.121 24.903 2.887 1.00 0.00 C ATOM 1246 NZ LYS A 76 13.837 26.174 3.609 1.00 0.00 N ATOM 0 H LYS A 76 16.410 22.559 6.542 1.00 0.00 H new ATOM 0 HA LYS A 76 14.449 21.159 4.912 1.00 0.00 H new ATOM 0 HB2 LYS A 76 16.950 22.686 4.550 1.00 0.00 H new ATOM 0 HB3 LYS A 76 16.860 21.263 3.531 1.00 0.00 H new ATOM 0 HG2 LYS A 76 15.960 23.192 2.347 1.00 0.00 H new ATOM 0 HG3 LYS A 76 14.686 22.023 2.632 1.00 0.00 H new ATOM 0 HD2 LYS A 76 13.652 23.336 4.279 1.00 0.00 H new ATOM 0 HD3 LYS A 76 15.122 24.212 4.657 1.00 0.00 H new ATOM 0 HE2 LYS A 76 14.911 25.070 2.155 1.00 0.00 H new ATOM 0 HE3 LYS A 76 13.234 24.594 2.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 13.556 26.906 2.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 13.066 26.022 4.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 14.691 26.483 4.116 1.00 0.00 H new ATOM 1260 N LEU A 77 16.387 19.467 6.592 1.00 0.00 N ATOM 1261 CA LEU A 77 16.935 18.147 6.883 1.00 0.00 C ATOM 1262 C LEU A 77 15.998 17.048 6.393 1.00 0.00 C ATOM 1263 O LEU A 77 16.443 16.026 5.871 1.00 0.00 O ATOM 1264 CB LEU A 77 17.178 17.994 8.386 1.00 0.00 C ATOM 1265 CG LEU A 77 17.412 16.568 8.886 1.00 0.00 C ATOM 1266 CD1 LEU A 77 18.719 16.481 9.659 1.00 0.00 C ATOM 1267 CD2 LEU A 77 16.247 16.108 9.750 1.00 0.00 C ATOM 0 H LEU A 77 16.279 20.068 7.409 1.00 0.00 H new ATOM 0 HA LEU A 77 17.884 18.051 6.356 1.00 0.00 H new ATOM 0 HB2 LEU A 77 18.043 18.599 8.657 1.00 0.00 H new ATOM 0 HB3 LEU A 77 16.320 18.408 8.916 1.00 0.00 H new ATOM 0 HG LEU A 77 17.480 15.907 8.022 1.00 0.00 H new ATOM 0 HD11 LEU A 77 18.869 15.459 10.007 1.00 0.00 H new ATOM 0 HD12 LEU A 77 19.546 16.768 9.009 1.00 0.00 H new ATOM 0 HD13 LEU A 77 18.681 17.154 10.516 1.00 0.00 H new ATOM 0 HD21 LEU A 77 16.431 15.091 10.097 1.00 0.00 H new ATOM 0 HD22 LEU A 77 16.146 16.772 10.609 1.00 0.00 H new ATOM 0 HD23 LEU A 77 15.328 16.131 9.164 1.00 0.00 H new ATOM 1279 N ASP A 78 14.699 17.266 6.564 1.00 0.00 N ATOM 1280 CA ASP A 78 13.698 16.296 6.136 1.00 0.00 C ATOM 1281 C ASP A 78 13.882 15.937 4.665 1.00 0.00 C ATOM 1282 O ASP A 78 13.926 14.761 4.303 1.00 0.00 O ATOM 1283 CB ASP A 78 12.290 16.848 6.366 1.00 0.00 C ATOM 1284 CG ASP A 78 12.041 17.212 7.816 1.00 0.00 C ATOM 1285 OD1 ASP A 78 12.659 16.583 8.700 1.00 0.00 O ATOM 1286 OD2 ASP A 78 11.227 18.126 8.068 1.00 0.00 O ATOM 0 H ASP A 78 14.314 18.106 6.996 1.00 0.00 H new ATOM 0 HA ASP A 78 13.828 15.392 6.731 1.00 0.00 H new ATOM 0 HB2 ASP A 78 12.142 17.730 5.743 1.00 0.00 H new ATOM 0 HB3 ASP A 78 11.556 16.107 6.049 1.00 0.00 H new ATOM 1291 N SER A 79 13.989 16.958 3.821 1.00 0.00 N ATOM 1292 CA SER A 79 14.164 16.751 2.388 1.00 0.00 C ATOM 1293 C SER A 79 15.504 16.083 2.095 1.00 0.00 C ATOM 1294 O SER A 79 15.569 15.078 1.386 1.00 0.00 O ATOM 1295 CB SER A 79 14.072 18.084 1.643 1.00 0.00 C ATOM 1296 OG SER A 79 14.308 17.911 0.256 1.00 0.00 O ATOM 0 H SER A 79 13.958 17.937 4.105 1.00 0.00 H new ATOM 0 HA SER A 79 13.367 16.094 2.041 1.00 0.00 H new ATOM 0 HB2 SER A 79 13.086 18.522 1.795 1.00 0.00 H new ATOM 0 HB3 SER A 79 14.799 18.785 2.054 1.00 0.00 H new ATOM 0 HG SER A 79 14.242 18.777 -0.198 1.00 0.00 H new ATOM 1302 N LEU A 80 16.572 16.649 2.647 1.00 0.00 N ATOM 1303 CA LEU A 80 17.913 16.110 2.446 1.00 0.00 C ATOM 1304 C LEU A 80 17.973 14.638 2.839 1.00 0.00 C ATOM 1305 O LEU A 80 18.582 13.823 2.145 1.00 0.00 O ATOM 1306 CB LEU A 80 18.932 16.909 3.261 1.00 0.00 C ATOM 1307 CG LEU A 80 19.625 18.058 2.528 1.00 0.00 C ATOM 1308 CD1 LEU A 80 20.666 17.522 1.557 1.00 0.00 C ATOM 1309 CD2 LEU A 80 18.604 18.917 1.797 1.00 0.00 C ATOM 0 H LEU A 80 16.536 17.480 3.237 1.00 0.00 H new ATOM 0 HA LEU A 80 18.157 16.194 1.387 1.00 0.00 H new ATOM 0 HB2 LEU A 80 18.428 17.315 4.138 1.00 0.00 H new ATOM 0 HB3 LEU A 80 19.697 16.222 3.623 1.00 0.00 H new ATOM 0 HG LEU A 80 20.132 18.680 3.265 1.00 0.00 H new ATOM 0 HD11 LEU A 80 21.148 18.354 1.045 1.00 0.00 H new ATOM 0 HD12 LEU A 80 21.415 16.950 2.105 1.00 0.00 H new ATOM 0 HD13 LEU A 80 20.182 16.877 0.824 1.00 0.00 H new ATOM 0 HD21 LEU A 80 19.115 19.730 1.281 1.00 0.00 H new ATOM 0 HD22 LEU A 80 18.068 18.306 1.071 1.00 0.00 H new ATOM 0 HD23 LEU A 80 17.896 19.331 2.515 1.00 0.00 H new ATOM 1321 N LEU A 81 17.334 14.302 3.955 1.00 0.00 N ATOM 1322 CA LEU A 81 17.312 12.927 4.440 1.00 0.00 C ATOM 1323 C LEU A 81 16.554 12.021 3.475 1.00 0.00 C ATOM 1324 O LEU A 81 17.026 10.941 3.123 1.00 0.00 O ATOM 1325 CB LEU A 81 16.670 12.864 5.827 1.00 0.00 C ATOM 1326 CG LEU A 81 17.634 12.748 7.008 1.00 0.00 C ATOM 1327 CD1 LEU A 81 18.307 11.384 7.015 1.00 0.00 C ATOM 1328 CD2 LEU A 81 18.674 13.857 6.959 1.00 0.00 C ATOM 0 H LEU A 81 16.824 14.964 4.541 1.00 0.00 H new ATOM 0 HA LEU A 81 18.342 12.575 4.507 1.00 0.00 H new ATOM 0 HB2 LEU A 81 16.063 13.759 5.966 1.00 0.00 H new ATOM 0 HB3 LEU A 81 15.991 12.012 5.853 1.00 0.00 H new ATOM 0 HG LEU A 81 17.063 12.854 7.930 1.00 0.00 H new ATOM 0 HD11 LEU A 81 18.990 11.319 7.862 1.00 0.00 H new ATOM 0 HD12 LEU A 81 17.549 10.605 7.099 1.00 0.00 H new ATOM 0 HD13 LEU A 81 18.865 11.249 6.088 1.00 0.00 H new ATOM 0 HD21 LEU A 81 19.351 13.758 7.807 1.00 0.00 H new ATOM 0 HD22 LEU A 81 19.241 13.783 6.031 1.00 0.00 H new ATOM 0 HD23 LEU A 81 18.176 14.825 7.003 1.00 0.00 H new ATOM 1340 N GLN A 82 15.378 12.471 3.050 1.00 0.00 N ATOM 1341 CA GLN A 82 14.555 11.702 2.124 1.00 0.00 C ATOM 1342 C GLN A 82 15.219 11.607 0.755 1.00 0.00 C ATOM 1343 O GLN A 82 14.921 10.707 -0.031 1.00 0.00 O ATOM 1344 CB GLN A 82 13.170 12.338 1.989 1.00 0.00 C ATOM 1345 CG GLN A 82 12.173 11.470 1.238 1.00 0.00 C ATOM 1346 CD GLN A 82 12.131 10.047 1.757 1.00 0.00 C ATOM 1347 OE1 GLN A 82 11.339 9.719 2.642 1.00 0.00 O ATOM 1348 NE2 GLN A 82 12.985 9.191 1.208 1.00 0.00 N ATOM 0 H GLN A 82 14.974 13.364 3.332 1.00 0.00 H new ATOM 0 HA GLN A 82 14.447 10.695 2.526 1.00 0.00 H new ATOM 0 HB2 GLN A 82 12.778 12.550 2.984 1.00 0.00 H new ATOM 0 HB3 GLN A 82 13.267 13.294 1.474 1.00 0.00 H new ATOM 0 HG2 GLN A 82 11.180 11.912 1.319 1.00 0.00 H new ATOM 0 HG3 GLN A 82 12.432 11.459 0.179 1.00 0.00 H new ATOM 0 HE21 GLN A 82 13.624 9.506 0.478 1.00 0.00 H new ATOM 0 HE22 GLN A 82 13.002 8.219 1.517 1.00 0.00 H new ATOM 1357 N ASP A 83 16.121 12.542 0.475 1.00 0.00 N ATOM 1358 CA ASP A 83 16.829 12.564 -0.800 1.00 0.00 C ATOM 1359 C ASP A 83 18.026 11.618 -0.773 1.00 0.00 C ATOM 1360 O ASP A 83 18.335 10.963 -1.769 1.00 0.00 O ATOM 1361 CB ASP A 83 17.293 13.984 -1.126 1.00 0.00 C ATOM 1362 CG ASP A 83 16.209 14.808 -1.794 1.00 0.00 C ATOM 1363 OD1 ASP A 83 15.035 14.383 -1.761 1.00 0.00 O ATOM 1364 OD2 ASP A 83 16.535 15.878 -2.349 1.00 0.00 O ATOM 0 H ASP A 83 16.379 13.294 1.114 1.00 0.00 H new ATOM 0 HA ASP A 83 16.140 12.228 -1.576 1.00 0.00 H new ATOM 0 HB2 ASP A 83 17.609 14.480 -0.208 1.00 0.00 H new ATOM 0 HB3 ASP A 83 18.165 13.938 -1.779 1.00 0.00 H new ATOM 1369 N VAL A 84 18.697 11.554 0.372 1.00 0.00 N ATOM 1370 CA VAL A 84 19.861 10.689 0.529 1.00 0.00 C ATOM 1371 C VAL A 84 19.442 9.258 0.850 1.00 0.00 C ATOM 1372 O VAL A 84 20.162 8.306 0.546 1.00 0.00 O ATOM 1373 CB VAL A 84 20.795 11.200 1.641 1.00 0.00 C ATOM 1374 CG1 VAL A 84 21.294 12.600 1.317 1.00 0.00 C ATOM 1375 CG2 VAL A 84 20.085 11.176 2.986 1.00 0.00 C ATOM 0 H VAL A 84 18.455 12.091 1.205 1.00 0.00 H new ATOM 0 HA VAL A 84 20.397 10.704 -0.420 1.00 0.00 H new ATOM 0 HB VAL A 84 21.658 10.537 1.700 1.00 0.00 H new ATOM 0 HG11 VAL A 84 21.953 12.945 2.114 1.00 0.00 H new ATOM 0 HG12 VAL A 84 21.842 12.582 0.375 1.00 0.00 H new ATOM 0 HG13 VAL A 84 20.445 13.278 1.229 1.00 0.00 H new ATOM 0 HG21 VAL A 84 20.760 11.540 3.760 1.00 0.00 H new ATOM 0 HG22 VAL A 84 19.203 11.815 2.943 1.00 0.00 H new ATOM 0 HG23 VAL A 84 19.782 10.155 3.220 1.00 0.00 H new ATOM 1385 N HIS A 85 18.273 9.113 1.466 1.00 0.00 N ATOM 1386 CA HIS A 85 17.758 7.798 1.827 1.00 0.00 C ATOM 1387 C HIS A 85 17.122 7.113 0.621 1.00 0.00 C ATOM 1388 O HIS A 85 15.902 7.135 0.455 1.00 0.00 O ATOM 1389 CB HIS A 85 16.734 7.921 2.957 1.00 0.00 C ATOM 1390 CG HIS A 85 16.437 6.621 3.640 1.00 0.00 C ATOM 1391 ND1 HIS A 85 15.236 5.957 3.503 1.00 0.00 N ATOM 1392 CD2 HIS A 85 17.193 5.862 4.467 1.00 0.00 C ATOM 1393 CE1 HIS A 85 15.266 4.846 4.218 1.00 0.00 C ATOM 1394 NE2 HIS A 85 16.443 4.765 4.812 1.00 0.00 N ATOM 0 H HIS A 85 17.665 9.890 1.725 1.00 0.00 H new ATOM 0 HA HIS A 85 18.595 7.189 2.169 1.00 0.00 H new ATOM 0 HB2 HIS A 85 17.103 8.634 3.695 1.00 0.00 H new ATOM 0 HB3 HIS A 85 15.808 8.330 2.554 1.00 0.00 H new ATOM 0 HD2 HIS A 85 18.199 6.079 4.795 1.00 0.00 H new ATOM 0 HE1 HIS A 85 14.465 4.127 4.302 1.00 0.00 H new ATOM 0 HE2 HIS A 85 16.746 4.010 5.427 1.00 0.00 H new TER 1402 HIS A 85