USER MOD reduce.3.24.130724 H: found=0, std=0, add=869, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 871 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 Single : A 10 ASN :FLIP amide:sc= -0.154 F(o=-0.66,f=-0.15) USER MOD Single : A 13 LYS NZ :NH3+ -147:sc= -1.55! (180deg=-3.12!) USER MOD Single : A 15 THR OG1 : rot 84:sc= 0.874 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 18 MET CE :methyl 149:sc= -4.48! (180deg=-7.44!) USER MOD Single : A 19 ASN : amide:sc= 0.585 K(o=0.59,f=0) USER MOD Single : A 24 THR OG1 : rot 84:sc= 0.0527 USER MOD Single : A 27 ASN : amide:sc= 0.3 X(o=0.3,f=-0.13) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot -155:sc= 1.23 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0334) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 153:sc= -0.265 (180deg=-0.959) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ -175:sc= -2.05 (180deg=-2.35) USER MOD Single : A 71 ASN : amide:sc= -0.146 K(o=-0.15,f=-2.4!) USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 116:sc= -0.855 USER MOD Single : A 76 SER OG : rot 1:sc= 1.19 USER MOD Single : A 82 LYS NZ :NH3+ 161:sc= -0.0348 (180deg=-0.27) USER MOD Single : A 85 MET CE :methyl 151:sc= -0.182 (180deg=-2.17) USER MOD Single : A 88 CYS SG : rot 170:sc= 0 USER MOD Single : A 89 HIS :FLIP no HD1:sc= -0.97 F(o=-2.7!,f=-0.97) USER MOD Single : A 90 ASN : amide:sc= -2.28 K(o=-2.3,f=-3.9!) USER MOD Single : A 92 GLN :FLIP amide:sc= -0.157 F(o=-0.91,f=-0.16) USER MOD Single : A 93 THR OG1 : rot 66:sc= 0.631 USER MOD Single : A 95 ASN : amide:sc= -1.39 K(o=-1.4,f=-6!) USER MOD Single : A 99 SER OG : rot 180:sc=-0.00229 USER MOD Single : A 100 GLN : amide:sc= -0.191 X(o=-0.19,f=-0.19) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot -87:sc= -0.244 USER MOD Single : A 109 GLN : amide:sc= -0.425 X(o=-0.43,f=-0.32) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 91 N ASN A 10 1.060 11.222 5.426 1.00 0.00 N ATOM 92 CA ASN A 10 -0.119 10.693 4.749 1.00 0.00 C ATOM 93 C ASN A 10 -1.398 11.224 5.390 1.00 0.00 C ATOM 94 O ASN A 10 -1.509 11.336 6.611 1.00 0.00 O ATOM 95 CB ASN A 10 -0.112 9.164 4.788 1.00 0.00 C ATOM 96 CG ASN A 10 1.103 8.574 4.099 1.00 0.00 C ATOM 97 OD1 ASN A 10 1.013 7.302 3.728 1.00 0.00 O flip ATOM 98 ND2 ASN A 10 2.111 9.254 3.902 1.00 0.00 N flip ATOM 0 HA ASN A 10 -0.090 11.023 3.711 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -0.136 8.830 5.825 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -1.016 8.787 4.310 1.00 0.00 H new ATOM 0 HD21 ASN A 10 2.136 10.228 4.204 1.00 0.00 H new ATOM 0 HD22 ASN A 10 2.920 8.843 3.437 1.00 0.00 H new ATOM 105 N PRO A 11 -2.388 11.557 4.549 1.00 0.00 N ATOM 106 CA PRO A 11 -3.677 12.080 5.011 1.00 0.00 C ATOM 107 C PRO A 11 -4.509 11.021 5.725 1.00 0.00 C ATOM 108 O PRO A 11 -4.271 9.819 5.599 1.00 0.00 O ATOM 109 CB PRO A 11 -4.366 12.518 3.716 1.00 0.00 C ATOM 110 CG PRO A 11 -3.748 11.676 2.654 1.00 0.00 C ATOM 111 CD PRO A 11 -2.324 11.449 3.082 1.00 0.00 C ATOM 0 HA PRO A 11 -3.555 12.883 5.738 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -5.443 12.361 3.768 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -4.207 13.579 3.522 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -4.279 10.730 2.548 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -3.790 12.176 1.686 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -1.961 10.471 2.766 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -1.652 12.192 2.653 1.00 0.00 H new ATOM 119 N PRO A 12 -5.510 11.473 6.495 1.00 0.00 N ATOM 120 CA PRO A 12 -6.399 10.580 7.244 1.00 0.00 C ATOM 121 C PRO A 12 -7.328 9.787 6.331 1.00 0.00 C ATOM 122 O PRO A 12 -8.042 8.891 6.781 1.00 0.00 O ATOM 123 CB PRO A 12 -7.205 11.538 8.125 1.00 0.00 C ATOM 124 CG PRO A 12 -7.181 12.836 7.393 1.00 0.00 C ATOM 125 CD PRO A 12 -5.852 12.892 6.692 1.00 0.00 C ATOM 0 HA PRO A 12 -5.843 9.829 7.805 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -8.225 11.182 8.267 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -6.761 11.634 9.116 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -8.002 12.896 6.678 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -7.295 13.674 8.081 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -5.920 13.424 5.743 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -5.102 13.406 7.293 1.00 0.00 H new ATOM 133 N LYS A 13 -7.315 10.123 5.045 1.00 0.00 N ATOM 134 CA LYS A 13 -8.155 9.442 4.067 1.00 0.00 C ATOM 135 C LYS A 13 -7.394 8.302 3.397 1.00 0.00 C ATOM 136 O LYS A 13 -7.973 7.268 3.063 1.00 0.00 O ATOM 137 CB LYS A 13 -8.648 10.432 3.010 1.00 0.00 C ATOM 138 CG LYS A 13 -9.983 10.050 2.395 1.00 0.00 C ATOM 139 CD LYS A 13 -11.123 10.219 3.386 1.00 0.00 C ATOM 140 CE LYS A 13 -11.622 11.656 3.421 1.00 0.00 C ATOM 141 NZ LYS A 13 -10.642 12.567 4.076 1.00 0.00 N ATOM 0 H LYS A 13 -6.731 10.864 4.656 1.00 0.00 H new ATOM 0 HA LYS A 13 -9.014 9.023 4.591 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -8.735 11.420 3.462 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -7.902 10.508 2.219 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -10.169 10.667 1.516 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -9.945 9.015 2.056 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -11.943 9.554 3.116 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -10.789 9.924 4.381 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -11.814 11.999 2.404 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -12.571 11.698 3.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -11.152 13.323 4.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -10.067 12.028 4.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -10.022 12.987 3.354 1.00 0.00 H new ATOM 155 N LEU A 14 -6.095 8.498 3.203 1.00 0.00 N ATOM 156 CA LEU A 14 -5.254 7.486 2.573 1.00 0.00 C ATOM 157 C LEU A 14 -4.812 6.437 3.588 1.00 0.00 C ATOM 158 O LEU A 14 -5.044 5.241 3.403 1.00 0.00 O ATOM 159 CB LEU A 14 -4.029 8.140 1.931 1.00 0.00 C ATOM 160 CG LEU A 14 -3.279 7.294 0.902 1.00 0.00 C ATOM 161 CD1 LEU A 14 -2.559 6.139 1.581 1.00 0.00 C ATOM 162 CD2 LEU A 14 -4.236 6.776 -0.162 1.00 0.00 C ATOM 0 H LEU A 14 -5.601 9.348 3.473 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.841 6.991 1.799 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.346 9.065 1.450 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.332 8.415 2.723 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.534 7.924 0.417 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.031 5.549 0.832 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.844 6.531 2.304 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.285 5.509 2.094 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.685 6.176 -0.886 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.005 6.162 0.308 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.705 7.618 -0.671 1.00 0.00 H new ATOM 174 N THR A 15 -4.175 6.892 4.662 1.00 0.00 N ATOM 175 CA THR A 15 -3.701 5.993 5.707 1.00 0.00 C ATOM 176 C THR A 15 -4.758 4.952 6.058 1.00 0.00 C ATOM 177 O THR A 15 -4.449 3.773 6.233 1.00 0.00 O ATOM 178 CB THR A 15 -3.317 6.767 6.982 1.00 0.00 C ATOM 179 OG1 THR A 15 -2.476 7.877 6.647 1.00 0.00 O ATOM 180 CG2 THR A 15 -2.600 5.861 7.971 1.00 0.00 C ATOM 0 H THR A 15 -3.975 7.878 4.831 1.00 0.00 H new ATOM 0 HA THR A 15 -2.817 5.491 5.315 1.00 0.00 H new ATOM 0 HB THR A 15 -4.232 7.133 7.447 1.00 0.00 H new ATOM 0 HG1 THR A 15 -3.031 8.638 6.378 1.00 0.00 H new ATOM 0 HG21 THR A 15 -2.339 6.430 8.863 1.00 0.00 H new ATOM 0 HG22 THR A 15 -3.254 5.034 8.247 1.00 0.00 H new ATOM 0 HG23 THR A 15 -1.692 5.468 7.513 1.00 0.00 H new ATOM 188 N LYS A 16 -6.007 5.394 6.159 1.00 0.00 N ATOM 189 CA LYS A 16 -7.111 4.500 6.486 1.00 0.00 C ATOM 190 C LYS A 16 -7.361 3.507 5.356 1.00 0.00 C ATOM 191 O LYS A 16 -7.319 2.295 5.564 1.00 0.00 O ATOM 192 CB LYS A 16 -8.382 5.306 6.761 1.00 0.00 C ATOM 193 CG LYS A 16 -8.455 5.866 8.171 1.00 0.00 C ATOM 194 CD LYS A 16 -9.654 6.783 8.347 1.00 0.00 C ATOM 195 CE LYS A 16 -9.410 7.819 9.433 1.00 0.00 C ATOM 196 NZ LYS A 16 -9.482 7.221 10.796 1.00 0.00 N ATOM 0 H LYS A 16 -6.280 6.367 6.019 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.840 3.942 7.382 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -8.441 6.129 6.049 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -9.250 4.670 6.586 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -8.515 5.046 8.886 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -7.540 6.416 8.393 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -9.869 7.286 7.405 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -10.533 6.190 8.600 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -8.430 8.274 9.287 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -10.148 8.616 9.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -9.310 7.959 11.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -10.425 6.809 10.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -8.761 6.477 10.887 1.00 0.00 H new ATOM 210 N GLN A 17 -7.619 4.029 4.162 1.00 0.00 N ATOM 211 CA GLN A 17 -7.874 3.187 2.999 1.00 0.00 C ATOM 212 C GLN A 17 -7.034 1.916 3.053 1.00 0.00 C ATOM 213 O GLN A 17 -7.566 0.806 3.027 1.00 0.00 O ATOM 214 CB GLN A 17 -7.576 3.956 1.711 1.00 0.00 C ATOM 215 CG GLN A 17 -7.586 3.083 0.466 1.00 0.00 C ATOM 216 CD GLN A 17 -8.981 2.875 -0.090 1.00 0.00 C ATOM 217 OE1 GLN A 17 -9.722 3.833 -0.313 1.00 0.00 O ATOM 218 NE2 GLN A 17 -9.347 1.619 -0.317 1.00 0.00 N ATOM 0 H GLN A 17 -7.657 5.031 3.974 1.00 0.00 H new ATOM 0 HA GLN A 17 -8.927 2.905 3.010 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -8.312 4.751 1.593 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -6.601 4.435 1.801 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -6.959 3.541 -0.299 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -7.145 2.115 0.702 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -8.701 0.855 -0.118 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -10.274 1.418 -0.691 1.00 0.00 H new ATOM 227 N MET A 18 -5.717 2.085 3.128 1.00 0.00 N ATOM 228 CA MET A 18 -4.803 0.950 3.186 1.00 0.00 C ATOM 229 C MET A 18 -5.177 0.009 4.327 1.00 0.00 C ATOM 230 O MET A 18 -5.352 -1.191 4.121 1.00 0.00 O ATOM 231 CB MET A 18 -3.363 1.436 3.361 1.00 0.00 C ATOM 232 CG MET A 18 -2.776 2.062 2.106 1.00 0.00 C ATOM 233 SD MET A 18 -0.973 2.025 2.090 1.00 0.00 S ATOM 234 CE MET A 18 -0.599 3.775 2.040 1.00 0.00 C ATOM 0 H MET A 18 -5.260 2.996 3.150 1.00 0.00 H new ATOM 0 HA MET A 18 -4.882 0.403 2.247 1.00 0.00 H new ATOM 0 HB2 MET A 18 -3.330 2.165 4.170 1.00 0.00 H new ATOM 0 HB3 MET A 18 -2.739 0.595 3.664 1.00 0.00 H new ATOM 0 HG2 MET A 18 -3.154 1.534 1.230 1.00 0.00 H new ATOM 0 HG3 MET A 18 -3.115 3.095 2.027 1.00 0.00 H new ATOM 0 HE1 MET A 18 0.343 3.961 2.556 1.00 0.00 H new ATOM 0 HE2 MET A 18 -0.515 4.100 1.003 1.00 0.00 H new ATOM 0 HE3 MET A 18 -1.397 4.332 2.531 1.00 0.00 H new ATOM 244 N ASN A 19 -5.297 0.563 5.529 1.00 0.00 N ATOM 245 CA ASN A 19 -5.650 -0.228 6.703 1.00 0.00 C ATOM 246 C ASN A 19 -6.911 -1.048 6.448 1.00 0.00 C ATOM 247 O ASN A 19 -6.943 -2.252 6.700 1.00 0.00 O ATOM 248 CB ASN A 19 -5.856 0.683 7.914 1.00 0.00 C ATOM 249 CG ASN A 19 -4.575 0.903 8.696 1.00 0.00 C ATOM 250 OD1 ASN A 19 -4.112 0.017 9.415 1.00 0.00 O ATOM 251 ND2 ASN A 19 -3.995 2.090 8.559 1.00 0.00 N ATOM 0 H ASN A 19 -5.155 1.556 5.716 1.00 0.00 H new ATOM 0 HA ASN A 19 -4.828 -0.914 6.909 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -6.244 1.645 7.580 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -6.609 0.246 8.570 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -3.131 2.296 9.060 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -4.413 2.795 7.952 1.00 0.00 H new ATOM 258 N ALA A 20 -7.949 -0.386 5.946 1.00 0.00 N ATOM 259 CA ALA A 20 -9.212 -1.052 5.655 1.00 0.00 C ATOM 260 C ALA A 20 -8.981 -2.367 4.917 1.00 0.00 C ATOM 261 O ALA A 20 -9.591 -3.386 5.241 1.00 0.00 O ATOM 262 CB ALA A 20 -10.115 -0.139 4.839 1.00 0.00 C ATOM 0 H ALA A 20 -7.939 0.611 5.733 1.00 0.00 H new ATOM 0 HA ALA A 20 -9.702 -1.277 6.602 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -11.055 -0.650 4.629 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -10.315 0.773 5.402 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -9.623 0.115 3.900 1.00 0.00 H new ATOM 268 N ILE A 21 -8.099 -2.336 3.924 1.00 0.00 N ATOM 269 CA ILE A 21 -7.788 -3.526 3.141 1.00 0.00 C ATOM 270 C ILE A 21 -7.086 -4.577 3.994 1.00 0.00 C ATOM 271 O ILE A 21 -7.634 -5.649 4.250 1.00 0.00 O ATOM 272 CB ILE A 21 -6.899 -3.186 1.930 1.00 0.00 C ATOM 273 CG1 ILE A 21 -7.659 -2.293 0.947 1.00 0.00 C ATOM 274 CG2 ILE A 21 -6.431 -4.460 1.243 1.00 0.00 C ATOM 275 CD1 ILE A 21 -6.756 -1.436 0.087 1.00 0.00 C ATOM 0 H ILE A 21 -7.587 -1.500 3.642 1.00 0.00 H new ATOM 0 HA ILE A 21 -8.737 -3.926 2.784 1.00 0.00 H new ATOM 0 HB ILE A 21 -6.022 -2.643 2.282 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -8.275 -2.919 0.301 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -8.337 -1.647 1.505 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -5.804 -4.204 0.389 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -5.857 -5.063 1.947 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -7.296 -5.027 0.900 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -7.363 -0.829 -0.585 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -6.158 -0.784 0.724 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -6.096 -2.076 -0.498 1.00 0.00 H new ATOM 287 N ILE A 22 -5.872 -4.262 4.431 1.00 0.00 N ATOM 288 CA ILE A 22 -5.096 -5.178 5.258 1.00 0.00 C ATOM 289 C ILE A 22 -5.936 -5.726 6.407 1.00 0.00 C ATOM 290 O ILE A 22 -6.129 -6.937 6.526 1.00 0.00 O ATOM 291 CB ILE A 22 -3.843 -4.494 5.834 1.00 0.00 C ATOM 292 CG1 ILE A 22 -2.767 -4.359 4.754 1.00 0.00 C ATOM 293 CG2 ILE A 22 -3.311 -5.277 7.024 1.00 0.00 C ATOM 294 CD1 ILE A 22 -2.384 -5.676 4.115 1.00 0.00 C ATOM 0 H ILE A 22 -5.404 -3.379 4.226 1.00 0.00 H new ATOM 0 HA ILE A 22 -4.786 -6.000 4.613 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.117 -3.496 6.175 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -3.123 -3.679 3.980 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -1.878 -3.905 5.193 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -2.425 -4.780 7.420 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -4.076 -5.326 7.799 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -3.050 -6.287 6.708 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -1.617 -5.504 3.359 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -1.997 -6.352 4.878 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -3.261 -6.122 3.647 1.00 0.00 H new ATOM 306 N ASP A 23 -6.433 -4.828 7.250 1.00 0.00 N ATOM 307 CA ASP A 23 -7.255 -5.221 8.388 1.00 0.00 C ATOM 308 C ASP A 23 -8.104 -6.443 8.050 1.00 0.00 C ATOM 309 O ASP A 23 -8.085 -7.444 8.767 1.00 0.00 O ATOM 310 CB ASP A 23 -8.155 -4.062 8.819 1.00 0.00 C ATOM 311 CG ASP A 23 -8.979 -4.394 10.048 1.00 0.00 C ATOM 312 OD1 ASP A 23 -8.435 -5.035 10.971 1.00 0.00 O ATOM 313 OD2 ASP A 23 -10.167 -4.012 10.086 1.00 0.00 O ATOM 0 H ASP A 23 -6.281 -3.823 7.167 1.00 0.00 H new ATOM 0 HA ASP A 23 -6.590 -5.480 9.212 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -7.540 -3.185 9.023 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -8.822 -3.799 7.998 1.00 0.00 H new ATOM 318 N THR A 24 -8.850 -6.353 6.953 1.00 0.00 N ATOM 319 CA THR A 24 -9.708 -7.449 6.521 1.00 0.00 C ATOM 320 C THR A 24 -8.887 -8.684 6.169 1.00 0.00 C ATOM 321 O THR A 24 -9.211 -9.797 6.584 1.00 0.00 O ATOM 322 CB THR A 24 -10.560 -7.048 5.302 1.00 0.00 C ATOM 323 OG1 THR A 24 -11.463 -5.996 5.660 1.00 0.00 O ATOM 324 CG2 THR A 24 -11.346 -8.240 4.776 1.00 0.00 C ATOM 0 H THR A 24 -8.877 -5.532 6.348 1.00 0.00 H new ATOM 0 HA THR A 24 -10.369 -7.682 7.356 1.00 0.00 H new ATOM 0 HB THR A 24 -9.889 -6.699 4.517 1.00 0.00 H new ATOM 0 HG1 THR A 24 -11.004 -5.133 5.591 1.00 0.00 H new ATOM 0 HG21 THR A 24 -11.940 -7.933 3.915 1.00 0.00 H new ATOM 0 HG22 THR A 24 -10.655 -9.028 4.477 1.00 0.00 H new ATOM 0 HG23 THR A 24 -12.007 -8.614 5.558 1.00 0.00 H new ATOM 332 N VAL A 25 -7.821 -8.481 5.400 1.00 0.00 N ATOM 333 CA VAL A 25 -6.952 -9.578 4.993 1.00 0.00 C ATOM 334 C VAL A 25 -6.355 -10.285 6.205 1.00 0.00 C ATOM 335 O VAL A 25 -6.568 -11.480 6.407 1.00 0.00 O ATOM 336 CB VAL A 25 -5.809 -9.083 4.087 1.00 0.00 C ATOM 337 CG1 VAL A 25 -4.885 -10.232 3.716 1.00 0.00 C ATOM 338 CG2 VAL A 25 -6.370 -8.416 2.840 1.00 0.00 C ATOM 0 H VAL A 25 -7.539 -7.567 5.047 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.570 -10.280 4.434 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.227 -8.344 4.637 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -4.084 -9.863 3.076 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -4.457 -10.662 4.622 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -5.451 -10.997 3.184 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -5.549 -8.072 2.211 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -6.976 -9.132 2.286 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -6.987 -7.565 3.129 1.00 0.00 H new ATOM 348 N ILE A 26 -5.606 -9.537 7.009 1.00 0.00 N ATOM 349 CA ILE A 26 -4.979 -10.091 8.202 1.00 0.00 C ATOM 350 C ILE A 26 -6.017 -10.714 9.130 1.00 0.00 C ATOM 351 O ILE A 26 -5.756 -11.727 9.778 1.00 0.00 O ATOM 352 CB ILE A 26 -4.194 -9.016 8.977 1.00 0.00 C ATOM 353 CG1 ILE A 26 -2.929 -8.625 8.210 1.00 0.00 C ATOM 354 CG2 ILE A 26 -3.842 -9.518 10.370 1.00 0.00 C ATOM 355 CD1 ILE A 26 -2.128 -7.533 8.883 1.00 0.00 C ATOM 0 H ILE A 26 -5.419 -8.546 6.855 1.00 0.00 H new ATOM 0 HA ILE A 26 -4.287 -10.862 7.865 1.00 0.00 H new ATOM 0 HB ILE A 26 -4.822 -8.131 9.079 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.299 -9.506 8.091 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -3.208 -8.296 7.209 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -3.287 -8.747 10.905 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -4.757 -9.751 10.915 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -3.229 -10.416 10.289 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -1.246 -7.307 8.284 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -2.742 -6.637 8.977 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.818 -7.867 9.873 1.00 0.00 H new ATOM 367 N ASN A 27 -7.195 -10.102 9.187 1.00 0.00 N ATOM 368 CA ASN A 27 -8.274 -10.597 10.034 1.00 0.00 C ATOM 369 C ASN A 27 -9.351 -11.281 9.198 1.00 0.00 C ATOM 370 O ASN A 27 -10.545 -11.069 9.412 1.00 0.00 O ATOM 371 CB ASN A 27 -8.887 -9.448 10.837 1.00 0.00 C ATOM 372 CG ASN A 27 -7.890 -8.807 11.783 1.00 0.00 C ATOM 373 OD1 ASN A 27 -7.379 -9.454 12.696 1.00 0.00 O ATOM 374 ND2 ASN A 27 -7.610 -7.526 11.567 1.00 0.00 N ATOM 0 H ASN A 27 -7.427 -9.262 8.657 1.00 0.00 H new ATOM 0 HA ASN A 27 -7.855 -11.330 10.724 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -9.270 -8.693 10.151 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -9.738 -9.821 11.408 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -6.947 -7.040 12.171 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -8.058 -7.029 10.797 1.00 0.00 H new ATOM 381 N TYR A 28 -8.922 -12.102 8.247 1.00 0.00 N ATOM 382 CA TYR A 28 -9.849 -12.816 7.378 1.00 0.00 C ATOM 383 C TYR A 28 -9.965 -14.281 7.791 1.00 0.00 C ATOM 384 O TYR A 28 -8.962 -14.949 8.040 1.00 0.00 O ATOM 385 CB TYR A 28 -9.393 -12.720 5.921 1.00 0.00 C ATOM 386 CG TYR A 28 -10.082 -13.705 5.004 1.00 0.00 C ATOM 387 CD1 TYR A 28 -11.295 -13.392 4.402 1.00 0.00 C ATOM 388 CD2 TYR A 28 -9.522 -14.949 4.741 1.00 0.00 C ATOM 389 CE1 TYR A 28 -11.929 -14.289 3.565 1.00 0.00 C ATOM 390 CE2 TYR A 28 -10.148 -15.851 3.903 1.00 0.00 C ATOM 391 CZ TYR A 28 -11.352 -15.517 3.318 1.00 0.00 C ATOM 392 OH TYR A 28 -11.979 -16.414 2.484 1.00 0.00 O ATOM 0 H TYR A 28 -7.937 -12.290 8.058 1.00 0.00 H new ATOM 0 HA TYR A 28 -10.830 -12.351 7.476 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -9.576 -11.709 5.558 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -8.317 -12.885 5.874 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -11.749 -12.431 4.592 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -8.581 -15.215 5.200 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -12.872 -14.030 3.106 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -9.697 -16.813 3.707 1.00 0.00 H new ATOM 0 HH TYR A 28 -11.440 -17.229 2.416 1.00 0.00 H new ATOM 402 N LYS A 29 -11.198 -14.773 7.860 1.00 0.00 N ATOM 403 CA LYS A 29 -11.448 -16.158 8.240 1.00 0.00 C ATOM 404 C LYS A 29 -11.486 -17.061 7.012 1.00 0.00 C ATOM 405 O LYS A 29 -12.006 -16.678 5.964 1.00 0.00 O ATOM 406 CB LYS A 29 -12.768 -16.267 9.007 1.00 0.00 C ATOM 407 CG LYS A 29 -13.975 -15.802 8.211 1.00 0.00 C ATOM 408 CD LYS A 29 -15.270 -16.333 8.800 1.00 0.00 C ATOM 409 CE LYS A 29 -16.457 -15.465 8.410 1.00 0.00 C ATOM 410 NZ LYS A 29 -16.901 -15.728 7.013 1.00 0.00 N ATOM 0 H LYS A 29 -12.039 -14.233 7.658 1.00 0.00 H new ATOM 0 HA LYS A 29 -10.632 -16.485 8.884 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -12.919 -17.304 9.308 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -12.697 -15.677 9.921 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -14.002 -14.712 8.193 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -13.881 -16.135 7.178 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -15.436 -17.354 8.456 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -15.188 -16.372 9.886 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -17.284 -15.652 9.095 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -16.188 -14.414 8.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -17.711 -15.117 6.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -16.120 -15.526 6.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -17.182 -16.725 6.920 1.00 0.00 H new ATOM 506 N LEU A 36 -5.564 -17.199 8.483 1.00 0.00 N ATOM 507 CA LEU A 36 -4.400 -17.798 7.839 1.00 0.00 C ATOM 508 C LEU A 36 -3.185 -16.882 7.949 1.00 0.00 C ATOM 509 O LEU A 36 -2.051 -17.349 8.062 1.00 0.00 O ATOM 510 CB LEU A 36 -4.701 -18.092 6.369 1.00 0.00 C ATOM 511 CG LEU A 36 -6.152 -18.438 6.037 1.00 0.00 C ATOM 512 CD1 LEU A 36 -6.945 -17.178 5.727 1.00 0.00 C ATOM 513 CD2 LEU A 36 -6.215 -19.410 4.867 1.00 0.00 C ATOM 0 HA LEU A 36 -4.173 -18.733 8.351 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -4.412 -17.222 5.779 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.069 -18.920 6.048 1.00 0.00 H new ATOM 0 HG LEU A 36 -6.598 -18.918 6.908 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -7.976 -17.445 5.493 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -6.929 -16.516 6.593 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -6.499 -16.669 4.873 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -7.256 -19.645 4.645 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -5.751 -18.956 3.992 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.684 -20.326 5.126 1.00 0.00 H new ATOM 525 N SER A 37 -3.430 -15.576 7.916 1.00 0.00 N ATOM 526 CA SER A 37 -2.356 -14.595 8.010 1.00 0.00 C ATOM 527 C SER A 37 -1.417 -14.925 9.167 1.00 0.00 C ATOM 528 O SER A 37 -0.278 -14.462 9.207 1.00 0.00 O ATOM 529 CB SER A 37 -2.934 -13.190 8.193 1.00 0.00 C ATOM 530 OG SER A 37 -3.526 -13.045 9.472 1.00 0.00 O ATOM 0 H SER A 37 -4.363 -15.173 7.825 1.00 0.00 H new ATOM 0 HA SER A 37 -1.786 -14.628 7.082 1.00 0.00 H new ATOM 0 HB2 SER A 37 -2.144 -12.449 8.068 1.00 0.00 H new ATOM 0 HB3 SER A 37 -3.678 -12.996 7.420 1.00 0.00 H new ATOM 0 HG SER A 37 -4.204 -12.338 9.440 1.00 0.00 H new ATOM 536 N GLU A 38 -1.907 -15.728 10.107 1.00 0.00 N ATOM 537 CA GLU A 38 -1.113 -16.120 11.265 1.00 0.00 C ATOM 538 C GLU A 38 0.266 -16.614 10.838 1.00 0.00 C ATOM 539 O GLU A 38 1.290 -16.078 11.264 1.00 0.00 O ATOM 540 CB GLU A 38 -1.834 -17.210 12.061 1.00 0.00 C ATOM 541 CG GLU A 38 -2.815 -16.668 13.086 1.00 0.00 C ATOM 542 CD GLU A 38 -3.299 -17.733 14.051 1.00 0.00 C ATOM 543 OE1 GLU A 38 -2.590 -18.746 14.221 1.00 0.00 O ATOM 544 OE2 GLU A 38 -4.387 -17.552 14.636 1.00 0.00 O ATOM 0 H GLU A 38 -2.849 -16.119 10.089 1.00 0.00 H new ATOM 0 HA GLU A 38 -0.985 -15.242 11.899 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -2.368 -17.861 11.368 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.093 -17.826 12.570 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.340 -15.863 13.647 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -3.672 -16.235 12.570 1.00 0.00 H new ATOM 551 N VAL A 39 0.285 -17.640 9.993 1.00 0.00 N ATOM 552 CA VAL A 39 1.537 -18.207 9.507 1.00 0.00 C ATOM 553 C VAL A 39 2.267 -17.227 8.596 1.00 0.00 C ATOM 554 O VAL A 39 3.374 -17.501 8.131 1.00 0.00 O ATOM 555 CB VAL A 39 1.298 -19.522 8.741 1.00 0.00 C ATOM 556 CG1 VAL A 39 0.270 -20.381 9.462 1.00 0.00 C ATOM 557 CG2 VAL A 39 0.857 -19.234 7.314 1.00 0.00 C ATOM 0 H VAL A 39 -0.553 -18.095 9.631 1.00 0.00 H new ATOM 0 HA VAL A 39 2.152 -18.412 10.383 1.00 0.00 H new ATOM 0 HB VAL A 39 2.236 -20.076 8.703 1.00 0.00 H new ATOM 0 HG11 VAL A 39 0.114 -21.306 8.906 1.00 0.00 H new ATOM 0 HG12 VAL A 39 0.630 -20.616 10.464 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -0.672 -19.838 9.534 1.00 0.00 H new ATOM 0 HG21 VAL A 39 0.693 -20.174 6.787 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.069 -18.659 7.328 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.631 -18.662 6.802 1.00 0.00 H new ATOM 567 N PHE A 40 1.641 -16.082 8.345 1.00 0.00 N ATOM 568 CA PHE A 40 2.231 -15.059 7.489 1.00 0.00 C ATOM 569 C PHE A 40 2.546 -13.797 8.287 1.00 0.00 C ATOM 570 O PHE A 40 2.728 -12.720 7.718 1.00 0.00 O ATOM 571 CB PHE A 40 1.285 -14.723 6.334 1.00 0.00 C ATOM 572 CG PHE A 40 0.985 -15.895 5.445 1.00 0.00 C ATOM 573 CD1 PHE A 40 1.813 -16.203 4.378 1.00 0.00 C ATOM 574 CD2 PHE A 40 -0.127 -16.690 5.675 1.00 0.00 C ATOM 575 CE1 PHE A 40 1.540 -17.281 3.557 1.00 0.00 C ATOM 576 CE2 PHE A 40 -0.406 -17.769 4.859 1.00 0.00 C ATOM 577 CZ PHE A 40 0.428 -18.065 3.798 1.00 0.00 C ATOM 0 H PHE A 40 0.725 -15.839 8.722 1.00 0.00 H new ATOM 0 HA PHE A 40 3.163 -15.453 7.084 1.00 0.00 H new ATOM 0 HB2 PHE A 40 0.350 -14.337 6.741 1.00 0.00 H new ATOM 0 HB3 PHE A 40 1.725 -13.926 5.735 1.00 0.00 H new ATOM 0 HD1 PHE A 40 2.683 -15.593 4.185 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -0.783 -16.463 6.502 1.00 0.00 H new ATOM 0 HE1 PHE A 40 2.194 -17.510 2.729 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -1.275 -18.381 5.050 1.00 0.00 H new ATOM 0 HZ PHE A 40 0.211 -18.908 3.158 1.00 0.00 H new ATOM 587 N ILE A 41 2.609 -13.939 9.606 1.00 0.00 N ATOM 588 CA ILE A 41 2.903 -12.812 10.482 1.00 0.00 C ATOM 589 C ILE A 41 4.405 -12.647 10.680 1.00 0.00 C ATOM 590 O ILE A 41 4.976 -11.611 10.340 1.00 0.00 O ATOM 591 CB ILE A 41 2.230 -12.977 11.858 1.00 0.00 C ATOM 592 CG1 ILE A 41 0.708 -12.902 11.718 1.00 0.00 C ATOM 593 CG2 ILE A 41 2.731 -11.915 12.824 1.00 0.00 C ATOM 594 CD1 ILE A 41 0.233 -11.715 10.909 1.00 0.00 C ATOM 0 H ILE A 41 2.460 -14.823 10.092 1.00 0.00 H new ATOM 0 HA ILE A 41 2.503 -11.922 9.996 1.00 0.00 H new ATOM 0 HB ILE A 41 2.492 -13.956 12.258 1.00 0.00 H new ATOM 0 HG12 ILE A 41 0.349 -13.818 11.249 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.262 -12.856 12.711 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.246 -12.045 13.791 1.00 0.00 H new ATOM 0 HG22 ILE A 41 3.810 -12.012 12.943 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.496 -10.926 12.431 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -0.855 -11.726 10.851 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.562 -10.793 11.388 1.00 0.00 H new ATOM 0 HD13 ILE A 41 0.650 -11.770 9.903 1.00 0.00 H new ATOM 606 N GLN A 42 5.041 -13.676 11.232 1.00 0.00 N ATOM 607 CA GLN A 42 6.478 -13.645 11.474 1.00 0.00 C ATOM 608 C GLN A 42 7.219 -14.517 10.467 1.00 0.00 C ATOM 609 O GLN A 42 6.636 -15.418 9.862 1.00 0.00 O ATOM 610 CB GLN A 42 6.787 -14.113 12.897 1.00 0.00 C ATOM 611 CG GLN A 42 6.479 -13.072 13.961 1.00 0.00 C ATOM 612 CD GLN A 42 6.133 -13.692 15.301 1.00 0.00 C ATOM 613 OE1 GLN A 42 6.952 -14.381 15.909 1.00 0.00 O ATOM 614 NE2 GLN A 42 4.914 -13.449 15.769 1.00 0.00 N ATOM 0 H GLN A 42 4.583 -14.541 11.520 1.00 0.00 H new ATOM 0 HA GLN A 42 6.819 -12.616 11.355 1.00 0.00 H new ATOM 0 HB2 GLN A 42 6.212 -15.015 13.106 1.00 0.00 H new ATOM 0 HB3 GLN A 42 7.841 -14.384 12.960 1.00 0.00 H new ATOM 0 HG2 GLN A 42 7.340 -12.414 14.081 1.00 0.00 H new ATOM 0 HG3 GLN A 42 5.648 -12.451 13.627 1.00 0.00 H new ATOM 0 HE21 GLN A 42 4.267 -12.872 15.231 1.00 0.00 H new ATOM 0 HE22 GLN A 42 4.625 -13.839 16.666 1.00 0.00 H new ATOM 623 N LEU A 43 8.507 -14.245 10.290 1.00 0.00 N ATOM 624 CA LEU A 43 9.329 -15.006 9.355 1.00 0.00 C ATOM 625 C LEU A 43 10.584 -15.537 10.040 1.00 0.00 C ATOM 626 O LEU A 43 11.047 -14.998 11.046 1.00 0.00 O ATOM 627 CB LEU A 43 9.717 -14.133 8.160 1.00 0.00 C ATOM 628 CG LEU A 43 8.618 -13.882 7.127 1.00 0.00 C ATOM 629 CD1 LEU A 43 9.164 -13.093 5.947 1.00 0.00 C ATOM 630 CD2 LEU A 43 8.015 -15.198 6.659 1.00 0.00 C ATOM 0 H LEU A 43 9.005 -13.503 10.782 1.00 0.00 H new ATOM 0 HA LEU A 43 8.743 -15.855 9.003 1.00 0.00 H new ATOM 0 HB2 LEU A 43 10.061 -13.170 8.536 1.00 0.00 H new ATOM 0 HB3 LEU A 43 10.563 -14.599 7.655 1.00 0.00 H new ATOM 0 HG LEU A 43 7.831 -13.293 7.598 1.00 0.00 H new ATOM 0 HD11 LEU A 43 8.367 -12.924 5.222 1.00 0.00 H new ATOM 0 HD12 LEU A 43 9.546 -12.134 6.296 1.00 0.00 H new ATOM 0 HD13 LEU A 43 9.970 -13.655 5.475 1.00 0.00 H new ATOM 0 HD21 LEU A 43 7.235 -15.000 5.924 1.00 0.00 H new ATOM 0 HD22 LEU A 43 8.792 -15.814 6.206 1.00 0.00 H new ATOM 0 HD23 LEU A 43 7.586 -15.725 7.511 1.00 0.00 H new ATOM 642 N PRO A 44 11.151 -16.617 9.483 1.00 0.00 N ATOM 643 CA PRO A 44 12.362 -17.243 10.022 1.00 0.00 C ATOM 644 C PRO A 44 13.599 -16.373 9.828 1.00 0.00 C ATOM 645 O PRO A 44 14.047 -16.156 8.703 1.00 0.00 O ATOM 646 CB PRO A 44 12.484 -18.535 9.211 1.00 0.00 C ATOM 647 CG PRO A 44 11.775 -18.249 7.933 1.00 0.00 C ATOM 648 CD PRO A 44 10.653 -17.311 8.283 1.00 0.00 C ATOM 0 HA PRO A 44 12.294 -17.404 11.098 1.00 0.00 H new ATOM 0 HB2 PRO A 44 13.528 -18.795 9.035 1.00 0.00 H new ATOM 0 HB3 PRO A 44 12.030 -19.376 9.736 1.00 0.00 H new ATOM 0 HG2 PRO A 44 12.449 -17.797 7.205 1.00 0.00 H new ATOM 0 HG3 PRO A 44 11.392 -19.166 7.486 1.00 0.00 H new ATOM 0 HD2 PRO A 44 10.445 -16.613 7.472 1.00 0.00 H new ATOM 0 HD3 PRO A 44 9.727 -17.850 8.485 1.00 0.00 H new ATOM 656 N SER A 45 14.147 -15.878 10.933 1.00 0.00 N ATOM 657 CA SER A 45 15.332 -15.028 10.885 1.00 0.00 C ATOM 658 C SER A 45 16.340 -15.561 9.871 1.00 0.00 C ATOM 659 O SER A 45 16.458 -16.770 9.673 1.00 0.00 O ATOM 660 CB SER A 45 15.979 -14.941 12.268 1.00 0.00 C ATOM 661 OG SER A 45 15.243 -14.082 13.122 1.00 0.00 O ATOM 0 H SER A 45 13.790 -16.051 11.873 1.00 0.00 H new ATOM 0 HA SER A 45 15.022 -14.030 10.574 1.00 0.00 H new ATOM 0 HB2 SER A 45 16.036 -15.936 12.709 1.00 0.00 H new ATOM 0 HB3 SER A 45 17.001 -14.575 12.172 1.00 0.00 H new ATOM 0 HG SER A 45 15.676 -14.045 14.000 1.00 0.00 H new ATOM 667 N ARG A 46 17.065 -14.648 9.232 1.00 0.00 N ATOM 668 CA ARG A 46 18.063 -15.024 8.238 1.00 0.00 C ATOM 669 C ARG A 46 19.057 -16.027 8.817 1.00 0.00 C ATOM 670 O ARG A 46 19.664 -16.809 8.086 1.00 0.00 O ATOM 671 CB ARG A 46 18.807 -13.785 7.737 1.00 0.00 C ATOM 672 CG ARG A 46 19.578 -14.017 6.448 1.00 0.00 C ATOM 673 CD ARG A 46 20.122 -12.715 5.882 1.00 0.00 C ATOM 674 NE ARG A 46 20.423 -12.821 4.456 1.00 0.00 N ATOM 675 CZ ARG A 46 20.894 -11.815 3.728 1.00 0.00 C ATOM 676 NH1 ARG A 46 21.116 -10.634 4.287 1.00 0.00 N ATOM 677 NH2 ARG A 46 21.143 -11.990 2.436 1.00 0.00 N ATOM 0 H ARG A 46 16.980 -13.643 9.385 1.00 0.00 H new ATOM 0 HA ARG A 46 17.546 -15.493 7.401 1.00 0.00 H new ATOM 0 HB2 ARG A 46 18.090 -12.979 7.581 1.00 0.00 H new ATOM 0 HB3 ARG A 46 19.500 -13.450 8.509 1.00 0.00 H new ATOM 0 HG2 ARG A 46 20.402 -14.706 6.635 1.00 0.00 H new ATOM 0 HG3 ARG A 46 18.927 -14.490 5.713 1.00 0.00 H new ATOM 0 HD2 ARG A 46 19.395 -11.919 6.041 1.00 0.00 H new ATOM 0 HD3 ARG A 46 21.025 -12.434 6.423 1.00 0.00 H new ATOM 0 HE ARG A 46 20.263 -13.716 3.995 1.00 0.00 H new ATOM 0 HH11 ARG A 46 20.925 -10.496 5.279 1.00 0.00 H new ATOM 0 HH12 ARG A 46 21.478 -9.864 3.725 1.00 0.00 H new ATOM 0 HH21 ARG A 46 20.973 -12.897 2.002 1.00 0.00 H new ATOM 0 HH22 ARG A 46 21.505 -11.217 1.877 1.00 0.00 H new ATOM 691 N LYS A 47 19.218 -15.998 10.136 1.00 0.00 N ATOM 692 CA LYS A 47 20.137 -16.904 10.815 1.00 0.00 C ATOM 693 C LYS A 47 19.584 -18.325 10.835 1.00 0.00 C ATOM 694 O LYS A 47 20.230 -19.258 10.360 1.00 0.00 O ATOM 695 CB LYS A 47 20.393 -16.425 12.246 1.00 0.00 C ATOM 696 CG LYS A 47 21.248 -17.379 13.062 1.00 0.00 C ATOM 697 CD LYS A 47 22.682 -17.412 12.559 1.00 0.00 C ATOM 698 CE LYS A 47 23.510 -16.287 13.159 1.00 0.00 C ATOM 699 NZ LYS A 47 23.884 -16.567 14.573 1.00 0.00 N ATOM 0 H LYS A 47 18.724 -15.357 10.756 1.00 0.00 H new ATOM 0 HA LYS A 47 21.078 -16.907 10.265 1.00 0.00 H new ATOM 0 HB2 LYS A 47 20.881 -15.451 12.212 1.00 0.00 H new ATOM 0 HB3 LYS A 47 19.437 -16.285 12.750 1.00 0.00 H new ATOM 0 HG2 LYS A 47 21.236 -17.075 14.109 1.00 0.00 H new ATOM 0 HG3 LYS A 47 20.822 -18.381 13.016 1.00 0.00 H new ATOM 0 HD2 LYS A 47 23.134 -18.371 12.810 1.00 0.00 H new ATOM 0 HD3 LYS A 47 22.689 -17.330 11.472 1.00 0.00 H new ATOM 0 HE2 LYS A 47 24.413 -16.145 12.566 1.00 0.00 H new ATOM 0 HE3 LYS A 47 22.946 -15.355 13.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 24.570 -15.856 14.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 23.034 -16.527 15.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 24.309 -17.514 14.639 1.00 0.00 H new ATOM 713 N GLU A 48 18.384 -18.481 11.386 1.00 0.00 N ATOM 714 CA GLU A 48 17.746 -19.790 11.467 1.00 0.00 C ATOM 715 C GLU A 48 17.647 -20.433 10.086 1.00 0.00 C ATOM 716 O GLU A 48 18.244 -21.480 9.832 1.00 0.00 O ATOM 717 CB GLU A 48 16.351 -19.664 12.083 1.00 0.00 C ATOM 718 CG GLU A 48 16.362 -19.157 13.516 1.00 0.00 C ATOM 719 CD GLU A 48 16.873 -20.194 14.497 1.00 0.00 C ATOM 720 OE1 GLU A 48 18.103 -20.406 14.550 1.00 0.00 O ATOM 721 OE2 GLU A 48 16.043 -20.792 15.213 1.00 0.00 O ATOM 0 H GLU A 48 17.835 -17.718 11.782 1.00 0.00 H new ATOM 0 HA GLU A 48 18.361 -20.427 12.103 1.00 0.00 H new ATOM 0 HB2 GLU A 48 15.753 -18.988 11.472 1.00 0.00 H new ATOM 0 HB3 GLU A 48 15.861 -20.637 12.055 1.00 0.00 H new ATOM 0 HG2 GLU A 48 16.986 -18.265 13.577 1.00 0.00 H new ATOM 0 HG3 GLU A 48 15.353 -18.860 13.800 1.00 0.00 H new ATOM 728 N LEU A 49 16.890 -19.799 9.198 1.00 0.00 N ATOM 729 CA LEU A 49 16.712 -20.308 7.842 1.00 0.00 C ATOM 730 C LEU A 49 17.216 -19.303 6.812 1.00 0.00 C ATOM 731 O LEU A 49 16.453 -18.518 6.249 1.00 0.00 O ATOM 732 CB LEU A 49 15.237 -20.623 7.584 1.00 0.00 C ATOM 733 CG LEU A 49 14.931 -21.400 6.303 1.00 0.00 C ATOM 734 CD1 LEU A 49 15.843 -22.610 6.181 1.00 0.00 C ATOM 735 CD2 LEU A 49 13.470 -21.825 6.274 1.00 0.00 C ATOM 0 H LEU A 49 16.389 -18.932 9.392 1.00 0.00 H new ATOM 0 HA LEU A 49 17.296 -21.223 7.745 1.00 0.00 H new ATOM 0 HB2 LEU A 49 14.854 -21.193 8.431 1.00 0.00 H new ATOM 0 HB3 LEU A 49 14.685 -19.684 7.556 1.00 0.00 H new ATOM 0 HG LEU A 49 15.116 -20.746 5.451 1.00 0.00 H new ATOM 0 HD11 LEU A 49 15.610 -23.150 5.263 1.00 0.00 H new ATOM 0 HD12 LEU A 49 16.882 -22.281 6.155 1.00 0.00 H new ATOM 0 HD13 LEU A 49 15.692 -23.267 7.037 1.00 0.00 H new ATOM 0 HD21 LEU A 49 13.270 -22.377 5.356 1.00 0.00 H new ATOM 0 HD22 LEU A 49 13.259 -22.462 7.133 1.00 0.00 H new ATOM 0 HD23 LEU A 49 12.833 -20.941 6.313 1.00 0.00 H new ATOM 747 N PRO A 50 18.533 -19.326 6.557 1.00 0.00 N ATOM 748 CA PRO A 50 19.168 -18.425 5.591 1.00 0.00 C ATOM 749 C PRO A 50 18.784 -18.753 4.152 1.00 0.00 C ATOM 750 O PRO A 50 18.525 -17.856 3.350 1.00 0.00 O ATOM 751 CB PRO A 50 20.664 -18.665 5.813 1.00 0.00 C ATOM 752 CG PRO A 50 20.747 -20.044 6.371 1.00 0.00 C ATOM 753 CD PRO A 50 19.502 -20.236 7.191 1.00 0.00 C ATOM 0 HA PRO A 50 18.862 -17.389 5.737 1.00 0.00 H new ATOM 0 HB2 PRO A 50 21.221 -18.581 4.880 1.00 0.00 H new ATOM 0 HB3 PRO A 50 21.085 -17.933 6.502 1.00 0.00 H new ATOM 0 HG2 PRO A 50 20.807 -20.784 5.573 1.00 0.00 H new ATOM 0 HG3 PRO A 50 21.640 -20.163 6.984 1.00 0.00 H new ATOM 0 HD2 PRO A 50 19.159 -21.270 7.165 1.00 0.00 H new ATOM 0 HD3 PRO A 50 19.667 -19.981 8.238 1.00 0.00 H new ATOM 761 N GLU A 51 18.749 -20.043 3.833 1.00 0.00 N ATOM 762 CA GLU A 51 18.396 -20.488 2.490 1.00 0.00 C ATOM 763 C GLU A 51 17.133 -19.786 1.999 1.00 0.00 C ATOM 764 O GLU A 51 17.093 -19.263 0.885 1.00 0.00 O ATOM 765 CB GLU A 51 18.192 -22.004 2.468 1.00 0.00 C ATOM 766 CG GLU A 51 16.886 -22.452 3.104 1.00 0.00 C ATOM 767 CD GLU A 51 16.816 -23.954 3.295 1.00 0.00 C ATOM 768 OE1 GLU A 51 17.871 -24.568 3.559 1.00 0.00 O ATOM 769 OE2 GLU A 51 15.707 -24.516 3.180 1.00 0.00 O ATOM 0 H GLU A 51 18.961 -20.798 4.486 1.00 0.00 H new ATOM 0 HA GLU A 51 19.217 -20.230 1.822 1.00 0.00 H new ATOM 0 HB2 GLU A 51 18.221 -22.351 1.435 1.00 0.00 H new ATOM 0 HB3 GLU A 51 19.022 -22.481 2.988 1.00 0.00 H new ATOM 0 HG2 GLU A 51 16.769 -21.961 4.070 1.00 0.00 H new ATOM 0 HG3 GLU A 51 16.053 -22.130 2.480 1.00 0.00 H new ATOM 776 N TYR A 52 16.103 -19.780 2.837 1.00 0.00 N ATOM 777 CA TYR A 52 14.837 -19.146 2.489 1.00 0.00 C ATOM 778 C TYR A 52 15.071 -17.804 1.802 1.00 0.00 C ATOM 779 O TYR A 52 14.489 -17.520 0.755 1.00 0.00 O ATOM 780 CB TYR A 52 13.979 -18.949 3.740 1.00 0.00 C ATOM 781 CG TYR A 52 12.638 -18.309 3.460 1.00 0.00 C ATOM 782 CD1 TYR A 52 11.559 -19.070 3.030 1.00 0.00 C ATOM 783 CD2 TYR A 52 12.451 -16.942 3.626 1.00 0.00 C ATOM 784 CE1 TYR A 52 10.332 -18.489 2.773 1.00 0.00 C ATOM 785 CE2 TYR A 52 11.227 -16.353 3.373 1.00 0.00 C ATOM 786 CZ TYR A 52 10.171 -17.131 2.946 1.00 0.00 C ATOM 787 OH TYR A 52 8.951 -16.548 2.691 1.00 0.00 O ATOM 0 H TYR A 52 16.120 -20.207 3.763 1.00 0.00 H new ATOM 0 HA TYR A 52 14.310 -19.802 1.796 1.00 0.00 H new ATOM 0 HB2 TYR A 52 13.818 -19.916 4.216 1.00 0.00 H new ATOM 0 HB3 TYR A 52 14.526 -18.330 4.452 1.00 0.00 H new ATOM 0 HD1 TYR A 52 11.681 -20.134 2.894 1.00 0.00 H new ATOM 0 HD2 TYR A 52 13.276 -16.330 3.958 1.00 0.00 H new ATOM 0 HE1 TYR A 52 9.504 -19.096 2.438 1.00 0.00 H new ATOM 0 HE2 TYR A 52 11.098 -15.289 3.509 1.00 0.00 H new ATOM 0 HH TYR A 52 9.006 -15.585 2.863 1.00 0.00 H new ATOM 797 N TYR A 53 15.927 -16.983 2.400 1.00 0.00 N ATOM 798 CA TYR A 53 16.238 -15.669 1.849 1.00 0.00 C ATOM 799 C TYR A 53 16.982 -15.797 0.523 1.00 0.00 C ATOM 800 O TYR A 53 16.853 -14.947 -0.357 1.00 0.00 O ATOM 801 CB TYR A 53 17.075 -14.861 2.841 1.00 0.00 C ATOM 802 CG TYR A 53 16.266 -14.258 3.967 1.00 0.00 C ATOM 803 CD1 TYR A 53 15.430 -15.046 4.748 1.00 0.00 C ATOM 804 CD2 TYR A 53 16.338 -12.899 4.249 1.00 0.00 C ATOM 805 CE1 TYR A 53 14.688 -14.498 5.776 1.00 0.00 C ATOM 806 CE2 TYR A 53 15.601 -12.343 5.277 1.00 0.00 C ATOM 807 CZ TYR A 53 14.777 -13.146 6.037 1.00 0.00 C ATOM 808 OH TYR A 53 14.041 -12.597 7.062 1.00 0.00 O ATOM 0 H TYR A 53 16.418 -17.204 3.266 1.00 0.00 H new ATOM 0 HA TYR A 53 15.298 -15.147 1.669 1.00 0.00 H new ATOM 0 HB2 TYR A 53 17.845 -15.506 3.264 1.00 0.00 H new ATOM 0 HB3 TYR A 53 17.587 -14.062 2.305 1.00 0.00 H new ATOM 0 HD1 TYR A 53 15.359 -16.105 4.548 1.00 0.00 H new ATOM 0 HD2 TYR A 53 16.981 -12.267 3.655 1.00 0.00 H new ATOM 0 HE1 TYR A 53 14.041 -15.125 6.373 1.00 0.00 H new ATOM 0 HE2 TYR A 53 15.670 -11.285 5.484 1.00 0.00 H new ATOM 0 HH TYR A 53 14.219 -11.635 7.113 1.00 0.00 H new ATOM 818 N GLU A 54 17.761 -16.866 0.390 1.00 0.00 N ATOM 819 CA GLU A 54 18.526 -17.105 -0.828 1.00 0.00 C ATOM 820 C GLU A 54 17.602 -17.236 -2.035 1.00 0.00 C ATOM 821 O GLU A 54 17.724 -16.490 -3.007 1.00 0.00 O ATOM 822 CB GLU A 54 19.375 -18.370 -0.682 1.00 0.00 C ATOM 823 CG GLU A 54 20.297 -18.350 0.525 1.00 0.00 C ATOM 824 CD GLU A 54 21.222 -19.550 0.574 1.00 0.00 C ATOM 825 OE1 GLU A 54 20.849 -20.610 0.028 1.00 0.00 O ATOM 826 OE2 GLU A 54 22.320 -19.429 1.157 1.00 0.00 O ATOM 0 H GLU A 54 17.879 -17.579 1.110 1.00 0.00 H new ATOM 0 HA GLU A 54 19.183 -16.250 -0.987 1.00 0.00 H new ATOM 0 HB2 GLU A 54 18.714 -19.234 -0.609 1.00 0.00 H new ATOM 0 HB3 GLU A 54 19.974 -18.501 -1.583 1.00 0.00 H new ATOM 0 HG2 GLU A 54 20.893 -17.437 0.507 1.00 0.00 H new ATOM 0 HG3 GLU A 54 19.697 -18.321 1.435 1.00 0.00 H new ATOM 833 N LEU A 55 16.679 -18.188 -1.965 1.00 0.00 N ATOM 834 CA LEU A 55 15.733 -18.418 -3.052 1.00 0.00 C ATOM 835 C LEU A 55 14.701 -17.297 -3.122 1.00 0.00 C ATOM 836 O LEU A 55 14.384 -16.798 -4.203 1.00 0.00 O ATOM 837 CB LEU A 55 15.029 -19.763 -2.866 1.00 0.00 C ATOM 838 CG LEU A 55 14.868 -20.242 -1.423 1.00 0.00 C ATOM 839 CD1 LEU A 55 13.595 -21.061 -1.272 1.00 0.00 C ATOM 840 CD2 LEU A 55 16.081 -21.053 -0.991 1.00 0.00 C ATOM 0 H LEU A 55 16.565 -18.813 -1.167 1.00 0.00 H new ATOM 0 HA LEU A 55 16.291 -18.433 -3.988 1.00 0.00 H new ATOM 0 HB2 LEU A 55 14.040 -19.698 -3.319 1.00 0.00 H new ATOM 0 HB3 LEU A 55 15.584 -20.521 -3.419 1.00 0.00 H new ATOM 0 HG LEU A 55 14.792 -19.368 -0.776 1.00 0.00 H new ATOM 0 HD11 LEU A 55 13.497 -21.394 -0.239 1.00 0.00 H new ATOM 0 HD12 LEU A 55 12.734 -20.448 -1.539 1.00 0.00 H new ATOM 0 HD13 LEU A 55 13.641 -21.929 -1.930 1.00 0.00 H new ATOM 0 HD21 LEU A 55 15.949 -21.385 0.039 1.00 0.00 H new ATOM 0 HD22 LEU A 55 16.189 -21.921 -1.642 1.00 0.00 H new ATOM 0 HD23 LEU A 55 16.976 -20.434 -1.060 1.00 0.00 H new ATOM 852 N ILE A 56 14.183 -16.903 -1.964 1.00 0.00 N ATOM 853 CA ILE A 56 13.190 -15.839 -1.894 1.00 0.00 C ATOM 854 C ILE A 56 13.795 -14.496 -2.290 1.00 0.00 C ATOM 855 O ILE A 56 14.816 -14.079 -1.744 1.00 0.00 O ATOM 856 CB ILE A 56 12.589 -15.721 -0.481 1.00 0.00 C ATOM 857 CG1 ILE A 56 11.772 -16.970 -0.145 1.00 0.00 C ATOM 858 CG2 ILE A 56 11.726 -14.473 -0.374 1.00 0.00 C ATOM 859 CD1 ILE A 56 10.783 -17.354 -1.224 1.00 0.00 C ATOM 0 H ILE A 56 14.435 -17.305 -1.061 1.00 0.00 H new ATOM 0 HA ILE A 56 12.398 -16.100 -2.596 1.00 0.00 H new ATOM 0 HB ILE A 56 13.404 -15.638 0.238 1.00 0.00 H new ATOM 0 HG12 ILE A 56 12.452 -17.804 0.026 1.00 0.00 H new ATOM 0 HG13 ILE A 56 11.233 -16.802 0.787 1.00 0.00 H new ATOM 0 HG21 ILE A 56 11.309 -14.404 0.631 1.00 0.00 H new ATOM 0 HG22 ILE A 56 12.335 -13.591 -0.575 1.00 0.00 H new ATOM 0 HG23 ILE A 56 10.915 -14.528 -1.101 1.00 0.00 H new ATOM 0 HD11 ILE A 56 10.239 -18.248 -0.918 1.00 0.00 H new ATOM 0 HD12 ILE A 56 10.079 -16.537 -1.380 1.00 0.00 H new ATOM 0 HD13 ILE A 56 11.317 -17.555 -2.153 1.00 0.00 H new ATOM 871 N ARG A 57 13.156 -13.824 -3.242 1.00 0.00 N ATOM 872 CA ARG A 57 13.631 -12.527 -3.711 1.00 0.00 C ATOM 873 C ARG A 57 13.547 -11.483 -2.601 1.00 0.00 C ATOM 874 O ARG A 57 14.565 -10.969 -2.139 1.00 0.00 O ATOM 875 CB ARG A 57 12.814 -12.069 -4.921 1.00 0.00 C ATOM 876 CG ARG A 57 13.298 -12.650 -6.239 1.00 0.00 C ATOM 877 CD ARG A 57 12.854 -11.801 -7.419 1.00 0.00 C ATOM 878 NE ARG A 57 13.135 -12.449 -8.697 1.00 0.00 N ATOM 879 CZ ARG A 57 12.765 -11.951 -9.871 1.00 0.00 C ATOM 880 NH1 ARG A 57 12.102 -10.804 -9.929 1.00 0.00 N ATOM 881 NH2 ARG A 57 13.058 -12.600 -10.991 1.00 0.00 N ATOM 0 H ARG A 57 12.309 -14.155 -3.703 1.00 0.00 H new ATOM 0 HA ARG A 57 14.675 -12.635 -4.006 1.00 0.00 H new ATOM 0 HB2 ARG A 57 11.771 -12.349 -4.772 1.00 0.00 H new ATOM 0 HB3 ARG A 57 12.847 -10.981 -4.980 1.00 0.00 H new ATOM 0 HG2 ARG A 57 14.386 -12.720 -6.229 1.00 0.00 H new ATOM 0 HG3 ARG A 57 12.914 -13.664 -6.354 1.00 0.00 H new ATOM 0 HD2 ARG A 57 11.785 -11.603 -7.341 1.00 0.00 H new ATOM 0 HD3 ARG A 57 13.361 -10.837 -7.383 1.00 0.00 H new ATOM 0 HE ARG A 57 13.644 -13.333 -8.687 1.00 0.00 H new ATOM 0 HH11 ARG A 57 11.875 -10.302 -9.070 1.00 0.00 H new ATOM 0 HH12 ARG A 57 11.819 -10.424 -10.832 1.00 0.00 H new ATOM 0 HH21 ARG A 57 13.568 -13.482 -10.951 1.00 0.00 H new ATOM 0 HH22 ARG A 57 12.773 -12.216 -11.892 1.00 0.00 H new ATOM 895 N LYS A 58 12.326 -11.174 -2.178 1.00 0.00 N ATOM 896 CA LYS A 58 12.107 -10.192 -1.123 1.00 0.00 C ATOM 897 C LYS A 58 11.132 -10.725 -0.078 1.00 0.00 C ATOM 898 O LYS A 58 9.915 -10.596 -0.207 1.00 0.00 O ATOM 899 CB LYS A 58 11.572 -8.887 -1.715 1.00 0.00 C ATOM 900 CG LYS A 58 12.192 -8.528 -3.055 1.00 0.00 C ATOM 901 CD LYS A 58 11.285 -7.615 -3.862 1.00 0.00 C ATOM 902 CE LYS A 58 10.900 -6.372 -3.074 1.00 0.00 C ATOM 903 NZ LYS A 58 10.008 -5.473 -3.857 1.00 0.00 N ATOM 0 H LYS A 58 11.472 -11.590 -2.550 1.00 0.00 H new ATOM 0 HA LYS A 58 13.064 -9.998 -0.638 1.00 0.00 H new ATOM 0 HB2 LYS A 58 10.492 -8.968 -1.834 1.00 0.00 H new ATOM 0 HB3 LYS A 58 11.755 -8.076 -1.010 1.00 0.00 H new ATOM 0 HG2 LYS A 58 13.152 -8.038 -2.893 1.00 0.00 H new ATOM 0 HG3 LYS A 58 12.390 -9.438 -3.621 1.00 0.00 H new ATOM 0 HD2 LYS A 58 11.789 -7.321 -4.783 1.00 0.00 H new ATOM 0 HD3 LYS A 58 10.385 -8.157 -4.150 1.00 0.00 H new ATOM 0 HE2 LYS A 58 10.399 -6.667 -2.152 1.00 0.00 H new ATOM 0 HE3 LYS A 58 11.801 -5.830 -2.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 9.768 -4.638 -3.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 10.495 -5.171 -4.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 9.137 -5.982 -4.109 1.00 0.00 H new ATOM 917 N PRO A 59 11.678 -11.338 0.984 1.00 0.00 N ATOM 918 CA PRO A 59 10.874 -11.901 2.072 1.00 0.00 C ATOM 919 C PRO A 59 10.204 -10.822 2.916 1.00 0.00 C ATOM 920 O PRO A 59 10.780 -10.333 3.889 1.00 0.00 O ATOM 921 CB PRO A 59 11.898 -12.674 2.907 1.00 0.00 C ATOM 922 CG PRO A 59 13.198 -12.002 2.627 1.00 0.00 C ATOM 923 CD PRO A 59 13.121 -11.528 1.202 1.00 0.00 C ATOM 0 HA PRO A 59 10.057 -12.517 1.698 1.00 0.00 H new ATOM 0 HB2 PRO A 59 11.653 -12.636 3.968 1.00 0.00 H new ATOM 0 HB3 PRO A 59 11.927 -13.726 2.624 1.00 0.00 H new ATOM 0 HG2 PRO A 59 13.360 -11.166 3.308 1.00 0.00 H new ATOM 0 HG3 PRO A 59 14.031 -12.691 2.764 1.00 0.00 H new ATOM 0 HD2 PRO A 59 13.675 -10.601 1.056 1.00 0.00 H new ATOM 0 HD3 PRO A 59 13.539 -12.261 0.512 1.00 0.00 H new ATOM 931 N VAL A 60 8.984 -10.453 2.538 1.00 0.00 N ATOM 932 CA VAL A 60 8.235 -9.433 3.262 1.00 0.00 C ATOM 933 C VAL A 60 7.135 -10.057 4.112 1.00 0.00 C ATOM 934 O VAL A 60 6.392 -10.923 3.647 1.00 0.00 O ATOM 935 CB VAL A 60 7.605 -8.410 2.298 1.00 0.00 C ATOM 936 CG1 VAL A 60 6.603 -9.090 1.378 1.00 0.00 C ATOM 937 CG2 VAL A 60 6.947 -7.280 3.075 1.00 0.00 C ATOM 0 H VAL A 60 8.493 -10.845 1.734 1.00 0.00 H new ATOM 0 HA VAL A 60 8.945 -8.921 3.912 1.00 0.00 H new ATOM 0 HB VAL A 60 8.396 -7.983 1.682 1.00 0.00 H new ATOM 0 HG11 VAL A 60 6.168 -8.352 0.704 1.00 0.00 H new ATOM 0 HG12 VAL A 60 7.108 -9.860 0.795 1.00 0.00 H new ATOM 0 HG13 VAL A 60 5.813 -9.546 1.974 1.00 0.00 H new ATOM 0 HG21 VAL A 60 6.507 -6.567 2.378 1.00 0.00 H new ATOM 0 HG22 VAL A 60 6.167 -7.687 3.718 1.00 0.00 H new ATOM 0 HG23 VAL A 60 7.695 -6.775 3.687 1.00 0.00 H new ATOM 947 N ASP A 61 7.035 -9.613 5.360 1.00 0.00 N ATOM 948 CA ASP A 61 6.024 -10.128 6.276 1.00 0.00 C ATOM 949 C ASP A 61 4.985 -9.057 6.595 1.00 0.00 C ATOM 950 O ASP A 61 5.295 -7.866 6.626 1.00 0.00 O ATOM 951 CB ASP A 61 6.678 -10.622 7.567 1.00 0.00 C ATOM 952 CG ASP A 61 7.312 -9.497 8.362 1.00 0.00 C ATOM 953 OD1 ASP A 61 7.352 -8.359 7.851 1.00 0.00 O ATOM 954 OD2 ASP A 61 7.769 -9.756 9.496 1.00 0.00 O ATOM 0 H ASP A 61 7.642 -8.898 5.761 1.00 0.00 H new ATOM 0 HA ASP A 61 5.521 -10.964 5.790 1.00 0.00 H new ATOM 0 HB2 ASP A 61 5.929 -11.121 8.182 1.00 0.00 H new ATOM 0 HB3 ASP A 61 7.438 -11.365 7.325 1.00 0.00 H new ATOM 959 N PHE A 62 3.751 -9.489 6.832 1.00 0.00 N ATOM 960 CA PHE A 62 2.665 -8.568 7.147 1.00 0.00 C ATOM 961 C PHE A 62 3.166 -7.412 8.007 1.00 0.00 C ATOM 962 O PHE A 62 3.125 -6.252 7.595 1.00 0.00 O ATOM 963 CB PHE A 62 1.536 -9.305 7.870 1.00 0.00 C ATOM 964 CG PHE A 62 0.542 -9.940 6.939 1.00 0.00 C ATOM 965 CD1 PHE A 62 -0.043 -9.203 5.922 1.00 0.00 C ATOM 966 CD2 PHE A 62 0.195 -11.274 7.081 1.00 0.00 C ATOM 967 CE1 PHE A 62 -0.958 -9.785 5.065 1.00 0.00 C ATOM 968 CE2 PHE A 62 -0.719 -11.861 6.226 1.00 0.00 C ATOM 969 CZ PHE A 62 -1.295 -11.116 5.217 1.00 0.00 C ATOM 0 H PHE A 62 3.478 -10.472 6.812 1.00 0.00 H new ATOM 0 HA PHE A 62 2.282 -8.162 6.210 1.00 0.00 H new ATOM 0 HB2 PHE A 62 1.967 -10.076 8.509 1.00 0.00 H new ATOM 0 HB3 PHE A 62 1.015 -8.604 8.522 1.00 0.00 H new ATOM 0 HD1 PHE A 62 0.219 -8.163 5.798 1.00 0.00 H new ATOM 0 HD2 PHE A 62 0.644 -11.862 7.868 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -1.409 -9.200 4.277 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -0.982 -12.901 6.347 1.00 0.00 H new ATOM 0 HZ PHE A 62 -2.008 -11.573 4.547 1.00 0.00 H new ATOM 979 N LYS A 63 3.637 -7.736 9.207 1.00 0.00 N ATOM 980 CA LYS A 63 4.147 -6.726 10.127 1.00 0.00 C ATOM 981 C LYS A 63 4.842 -5.600 9.369 1.00 0.00 C ATOM 982 O LYS A 63 4.460 -4.435 9.479 1.00 0.00 O ATOM 983 CB LYS A 63 5.119 -7.360 11.124 1.00 0.00 C ATOM 984 CG LYS A 63 4.502 -8.476 11.950 1.00 0.00 C ATOM 985 CD LYS A 63 5.537 -9.517 12.342 1.00 0.00 C ATOM 986 CE LYS A 63 6.344 -9.072 13.552 1.00 0.00 C ATOM 987 NZ LYS A 63 5.472 -8.770 14.721 1.00 0.00 N ATOM 0 H LYS A 63 3.676 -8.690 9.565 1.00 0.00 H new ATOM 0 HA LYS A 63 3.301 -6.305 10.671 1.00 0.00 H new ATOM 0 HB2 LYS A 63 5.978 -7.754 10.581 1.00 0.00 H new ATOM 0 HB3 LYS A 63 5.493 -6.587 11.795 1.00 0.00 H new ATOM 0 HG2 LYS A 63 4.048 -8.057 12.848 1.00 0.00 H new ATOM 0 HG3 LYS A 63 3.703 -8.952 11.381 1.00 0.00 H new ATOM 0 HD2 LYS A 63 5.039 -10.461 12.562 1.00 0.00 H new ATOM 0 HD3 LYS A 63 6.208 -9.699 11.502 1.00 0.00 H new ATOM 0 HE2 LYS A 63 7.055 -9.853 13.822 1.00 0.00 H new ATOM 0 HE3 LYS A 63 6.926 -8.187 13.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 6.007 -8.919 15.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 5.155 -7.781 14.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 4.644 -9.400 14.709 1.00 0.00 H new ATOM 1001 N LYS A 64 5.865 -5.955 8.598 1.00 0.00 N ATOM 1002 CA LYS A 64 6.612 -4.975 7.819 1.00 0.00 C ATOM 1003 C LYS A 64 5.671 -4.097 7.002 1.00 0.00 C ATOM 1004 O LYS A 64 5.655 -2.875 7.157 1.00 0.00 O ATOM 1005 CB LYS A 64 7.603 -5.681 6.890 1.00 0.00 C ATOM 1006 CG LYS A 64 8.484 -4.726 6.103 1.00 0.00 C ATOM 1007 CD LYS A 64 9.520 -4.060 6.994 1.00 0.00 C ATOM 1008 CE LYS A 64 10.658 -5.010 7.333 1.00 0.00 C ATOM 1009 NZ LYS A 64 11.761 -4.319 8.056 1.00 0.00 N ATOM 0 H LYS A 64 6.195 -6.915 8.496 1.00 0.00 H new ATOM 0 HA LYS A 64 7.162 -4.339 8.513 1.00 0.00 H new ATOM 0 HB2 LYS A 64 8.236 -6.342 7.482 1.00 0.00 H new ATOM 0 HB3 LYS A 64 7.050 -6.310 6.193 1.00 0.00 H new ATOM 0 HG2 LYS A 64 8.986 -5.269 5.302 1.00 0.00 H new ATOM 0 HG3 LYS A 64 7.865 -3.963 5.631 1.00 0.00 H new ATOM 0 HD2 LYS A 64 9.918 -3.178 6.493 1.00 0.00 H new ATOM 0 HD3 LYS A 64 9.045 -3.718 7.913 1.00 0.00 H new ATOM 0 HE2 LYS A 64 10.278 -5.827 7.946 1.00 0.00 H new ATOM 0 HE3 LYS A 64 11.046 -5.453 6.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 12.517 -5.001 8.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 12.141 -3.555 7.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 11.397 -3.918 8.944 1.00 0.00 H new ATOM 1023 N ILE A 65 4.887 -4.726 6.133 1.00 0.00 N ATOM 1024 CA ILE A 65 3.941 -4.001 5.294 1.00 0.00 C ATOM 1025 C ILE A 65 3.230 -2.908 6.085 1.00 0.00 C ATOM 1026 O ILE A 65 2.960 -1.825 5.564 1.00 0.00 O ATOM 1027 CB ILE A 65 2.887 -4.947 4.687 1.00 0.00 C ATOM 1028 CG1 ILE A 65 3.557 -5.969 3.767 1.00 0.00 C ATOM 1029 CG2 ILE A 65 1.836 -4.151 3.927 1.00 0.00 C ATOM 1030 CD1 ILE A 65 2.657 -7.124 3.389 1.00 0.00 C ATOM 0 H ILE A 65 4.888 -5.736 5.992 1.00 0.00 H new ATOM 0 HA ILE A 65 4.518 -3.547 4.488 1.00 0.00 H new ATOM 0 HB ILE A 65 2.393 -5.484 5.497 1.00 0.00 H new ATOM 0 HG12 ILE A 65 3.889 -5.466 2.859 1.00 0.00 H new ATOM 0 HG13 ILE A 65 4.448 -6.359 4.259 1.00 0.00 H new ATOM 0 HG21 ILE A 65 1.098 -4.833 3.504 1.00 0.00 H new ATOM 0 HG22 ILE A 65 1.341 -3.458 4.608 1.00 0.00 H new ATOM 0 HG23 ILE A 65 2.314 -3.591 3.124 1.00 0.00 H new ATOM 0 HD11 ILE A 65 3.198 -7.808 2.736 1.00 0.00 H new ATOM 0 HD12 ILE A 65 2.345 -7.652 4.290 1.00 0.00 H new ATOM 0 HD13 ILE A 65 1.778 -6.745 2.868 1.00 0.00 H new ATOM 1042 N LYS A 66 2.932 -3.197 7.346 1.00 0.00 N ATOM 1043 CA LYS A 66 2.256 -2.238 8.212 1.00 0.00 C ATOM 1044 C LYS A 66 3.208 -1.126 8.640 1.00 0.00 C ATOM 1045 O LYS A 66 2.813 0.035 8.746 1.00 0.00 O ATOM 1046 CB LYS A 66 1.691 -2.944 9.447 1.00 0.00 C ATOM 1047 CG LYS A 66 0.325 -3.568 9.220 1.00 0.00 C ATOM 1048 CD LYS A 66 0.427 -4.861 8.429 1.00 0.00 C ATOM 1049 CE LYS A 66 0.211 -4.623 6.942 1.00 0.00 C ATOM 1050 NZ LYS A 66 0.119 -5.902 6.184 1.00 0.00 N ATOM 0 H LYS A 66 3.148 -4.088 7.792 1.00 0.00 H new ATOM 0 HA LYS A 66 1.436 -1.793 7.649 1.00 0.00 H new ATOM 0 HB2 LYS A 66 2.388 -3.721 9.762 1.00 0.00 H new ATOM 0 HB3 LYS A 66 1.622 -2.227 10.265 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -0.150 -3.765 10.181 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -0.314 -2.864 8.687 1.00 0.00 H new ATOM 0 HD2 LYS A 66 1.408 -5.310 8.588 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -0.313 -5.573 8.796 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -0.703 -4.047 6.795 1.00 0.00 H new ATOM 0 HE3 LYS A 66 1.032 -4.025 6.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 0.057 -5.699 5.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 0.964 -6.478 6.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -0.729 -6.424 6.485 1.00 0.00 H new ATOM 1064 N GLU A 67 4.463 -1.489 8.883 1.00 0.00 N ATOM 1065 CA GLU A 67 5.471 -0.520 9.299 1.00 0.00 C ATOM 1066 C GLU A 67 5.461 0.702 8.384 1.00 0.00 C ATOM 1067 O GLU A 67 5.388 1.839 8.851 1.00 0.00 O ATOM 1068 CB GLU A 67 6.860 -1.162 9.296 1.00 0.00 C ATOM 1069 CG GLU A 67 7.812 -0.557 10.314 1.00 0.00 C ATOM 1070 CD GLU A 67 9.240 -1.037 10.133 1.00 0.00 C ATOM 1071 OE1 GLU A 67 9.840 -0.733 9.081 1.00 0.00 O ATOM 1072 OE2 GLU A 67 9.756 -1.715 11.045 1.00 0.00 O ATOM 0 H GLU A 67 4.806 -2.446 8.799 1.00 0.00 H new ATOM 0 HA GLU A 67 5.231 -0.196 10.312 1.00 0.00 H new ATOM 0 HB2 GLU A 67 6.758 -2.229 9.495 1.00 0.00 H new ATOM 0 HB3 GLU A 67 7.295 -1.063 8.301 1.00 0.00 H new ATOM 0 HG2 GLU A 67 7.784 0.530 10.231 1.00 0.00 H new ATOM 0 HG3 GLU A 67 7.472 -0.809 11.319 1.00 0.00 H new ATOM 1079 N ARG A 68 5.536 0.458 7.080 1.00 0.00 N ATOM 1080 CA ARG A 68 5.538 1.537 6.100 1.00 0.00 C ATOM 1081 C ARG A 68 4.346 2.466 6.312 1.00 0.00 C ATOM 1082 O ARG A 68 4.515 3.654 6.589 1.00 0.00 O ATOM 1083 CB ARG A 68 5.506 0.966 4.681 1.00 0.00 C ATOM 1084 CG ARG A 68 6.755 0.182 4.312 1.00 0.00 C ATOM 1085 CD ARG A 68 6.559 -0.604 3.025 1.00 0.00 C ATOM 1086 NE ARG A 68 6.940 0.171 1.847 1.00 0.00 N ATOM 1087 CZ ARG A 68 8.190 0.279 1.412 1.00 0.00 C ATOM 1088 NH1 ARG A 68 9.175 -0.334 2.053 1.00 0.00 N ATOM 1089 NH2 ARG A 68 8.457 1.003 0.332 1.00 0.00 N ATOM 0 H ARG A 68 5.596 -0.477 6.678 1.00 0.00 H new ATOM 0 HA ARG A 68 6.454 2.113 6.233 1.00 0.00 H new ATOM 0 HB2 ARG A 68 4.636 0.317 4.579 1.00 0.00 H new ATOM 0 HB3 ARG A 68 5.378 1.784 3.972 1.00 0.00 H new ATOM 0 HG2 ARG A 68 7.595 0.867 4.197 1.00 0.00 H new ATOM 0 HG3 ARG A 68 7.009 -0.502 5.122 1.00 0.00 H new ATOM 0 HD2 ARG A 68 7.151 -1.518 3.065 1.00 0.00 H new ATOM 0 HD3 ARG A 68 5.515 -0.904 2.939 1.00 0.00 H new ATOM 0 HE ARG A 68 6.206 0.656 1.330 1.00 0.00 H new ATOM 0 HH11 ARG A 68 8.974 -0.891 2.883 1.00 0.00 H new ATOM 0 HH12 ARG A 68 10.134 -0.249 1.716 1.00 0.00 H new ATOM 0 HH21 ARG A 68 7.702 1.477 -0.164 1.00 0.00 H new ATOM 0 HH22 ARG A 68 9.417 1.086 -0.002 1.00 0.00 H new ATOM 1103 N ILE A 69 3.143 1.917 6.180 1.00 0.00 N ATOM 1104 CA ILE A 69 1.925 2.697 6.358 1.00 0.00 C ATOM 1105 C ILE A 69 2.074 3.697 7.500 1.00 0.00 C ATOM 1106 O ILE A 69 1.625 4.839 7.401 1.00 0.00 O ATOM 1107 CB ILE A 69 0.712 1.790 6.640 1.00 0.00 C ATOM 1108 CG1 ILE A 69 0.504 0.807 5.487 1.00 0.00 C ATOM 1109 CG2 ILE A 69 -0.537 2.630 6.860 1.00 0.00 C ATOM 1110 CD1 ILE A 69 -0.600 -0.196 5.739 1.00 0.00 C ATOM 0 H ILE A 69 2.986 0.936 5.951 1.00 0.00 H new ATOM 0 HA ILE A 69 1.757 3.236 5.426 1.00 0.00 H new ATOM 0 HB ILE A 69 0.907 1.219 7.548 1.00 0.00 H new ATOM 0 HG12 ILE A 69 0.275 1.367 4.580 1.00 0.00 H new ATOM 0 HG13 ILE A 69 1.436 0.271 5.304 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -1.386 1.975 7.058 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -0.384 3.293 7.711 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -0.738 3.224 5.968 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -0.691 -0.861 4.880 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -0.364 -0.782 6.627 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -1.542 0.331 5.892 1.00 0.00 H new ATOM 1122 N ARG A 70 2.708 3.260 8.583 1.00 0.00 N ATOM 1123 CA ARG A 70 2.918 4.117 9.744 1.00 0.00 C ATOM 1124 C ARG A 70 4.108 5.046 9.526 1.00 0.00 C ATOM 1125 O ARG A 70 4.114 6.184 9.994 1.00 0.00 O ATOM 1126 CB ARG A 70 3.142 3.269 10.997 1.00 0.00 C ATOM 1127 CG ARG A 70 2.123 2.154 11.168 1.00 0.00 C ATOM 1128 CD ARG A 70 2.256 1.481 12.525 1.00 0.00 C ATOM 1129 NE ARG A 70 3.328 0.490 12.542 1.00 0.00 N ATOM 1130 CZ ARG A 70 4.602 0.788 12.771 1.00 0.00 C ATOM 1131 NH1 ARG A 70 4.961 2.044 13.001 1.00 0.00 N ATOM 1132 NH2 ARG A 70 5.520 -0.170 12.770 1.00 0.00 N ATOM 0 H ARG A 70 3.085 2.317 8.681 1.00 0.00 H new ATOM 0 HA ARG A 70 2.024 4.726 9.881 1.00 0.00 H new ATOM 0 HB2 ARG A 70 4.141 2.834 10.957 1.00 0.00 H new ATOM 0 HB3 ARG A 70 3.111 3.916 11.874 1.00 0.00 H new ATOM 0 HG2 ARG A 70 1.117 2.559 11.059 1.00 0.00 H new ATOM 0 HG3 ARG A 70 2.256 1.414 10.379 1.00 0.00 H new ATOM 0 HD2 ARG A 70 2.449 2.236 13.287 1.00 0.00 H new ATOM 0 HD3 ARG A 70 1.313 1.000 12.785 1.00 0.00 H new ATOM 0 HE ARG A 70 3.085 -0.485 12.368 1.00 0.00 H new ATOM 0 HH11 ARG A 70 4.258 2.783 13.002 1.00 0.00 H new ATOM 0 HH12 ARG A 70 5.940 2.271 13.177 1.00 0.00 H new ATOM 0 HH21 ARG A 70 5.248 -1.137 12.593 1.00 0.00 H new ATOM 0 HH22 ARG A 70 6.498 0.061 12.946 1.00 0.00 H new ATOM 1146 N ASN A 71 5.115 4.553 8.812 1.00 0.00 N ATOM 1147 CA ASN A 71 6.311 5.338 8.533 1.00 0.00 C ATOM 1148 C ASN A 71 6.132 6.172 7.268 1.00 0.00 C ATOM 1149 O ASN A 71 7.107 6.571 6.631 1.00 0.00 O ATOM 1150 CB ASN A 71 7.526 4.420 8.384 1.00 0.00 C ATOM 1151 CG ASN A 71 8.203 4.137 9.711 1.00 0.00 C ATOM 1152 OD1 ASN A 71 7.914 4.783 10.719 1.00 0.00 O ATOM 1153 ND2 ASN A 71 9.110 3.167 9.718 1.00 0.00 N ATOM 0 H ASN A 71 5.126 3.613 8.416 1.00 0.00 H new ATOM 0 HA ASN A 71 6.475 6.014 9.372 1.00 0.00 H new ATOM 0 HB2 ASN A 71 7.214 3.479 7.931 1.00 0.00 H new ATOM 0 HB3 ASN A 71 8.243 4.879 7.704 1.00 0.00 H new ATOM 0 HD21 ASN A 71 9.598 2.932 10.582 1.00 0.00 H new ATOM 0 HD22 ASN A 71 9.318 2.657 8.859 1.00 0.00 H new ATOM 1160 N HIS A 72 4.878 6.434 6.911 1.00 0.00 N ATOM 1161 CA HIS A 72 4.571 7.222 5.723 1.00 0.00 C ATOM 1162 C HIS A 72 5.536 6.893 4.588 1.00 0.00 C ATOM 1163 O HIS A 72 6.001 7.784 3.877 1.00 0.00 O ATOM 1164 CB HIS A 72 4.633 8.715 6.045 1.00 0.00 C ATOM 1165 CG HIS A 72 4.052 9.065 7.381 1.00 0.00 C ATOM 1166 ND1 HIS A 72 2.695 9.133 7.617 1.00 0.00 N ATOM 1167 CD2 HIS A 72 4.653 9.364 8.556 1.00 0.00 C ATOM 1168 CE1 HIS A 72 2.486 9.461 8.879 1.00 0.00 C ATOM 1169 NE2 HIS A 72 3.658 9.607 9.471 1.00 0.00 N ATOM 0 H HIS A 72 4.059 6.112 7.427 1.00 0.00 H new ATOM 0 HA HIS A 72 3.561 6.970 5.401 1.00 0.00 H new ATOM 0 HB2 HIS A 72 5.672 9.042 6.013 1.00 0.00 H new ATOM 0 HB3 HIS A 72 4.101 9.268 5.271 1.00 0.00 H new ATOM 0 HD2 HIS A 72 5.716 9.404 8.740 1.00 0.00 H new ATOM 0 HE1 HIS A 72 1.521 9.588 9.347 1.00 0.00 H new ATOM 0 HE2 HIS A 72 3.801 9.859 10.449 1.00 0.00 H new ATOM 1178 N LYS A 73 5.834 5.609 4.425 1.00 0.00 N ATOM 1179 CA LYS A 73 6.743 5.161 3.376 1.00 0.00 C ATOM 1180 C LYS A 73 5.994 4.930 2.068 1.00 0.00 C ATOM 1181 O LYS A 73 6.506 5.224 0.988 1.00 0.00 O ATOM 1182 CB LYS A 73 7.454 3.875 3.804 1.00 0.00 C ATOM 1183 CG LYS A 73 8.617 4.109 4.752 1.00 0.00 C ATOM 1184 CD LYS A 73 9.799 4.744 4.039 1.00 0.00 C ATOM 1185 CE LYS A 73 10.549 3.728 3.191 1.00 0.00 C ATOM 1186 NZ LYS A 73 11.594 4.373 2.348 1.00 0.00 N ATOM 0 H LYS A 73 5.459 4.859 5.006 1.00 0.00 H new ATOM 0 HA LYS A 73 7.485 5.943 3.215 1.00 0.00 H new ATOM 0 HB2 LYS A 73 6.733 3.214 4.284 1.00 0.00 H new ATOM 0 HB3 LYS A 73 7.818 3.359 2.916 1.00 0.00 H new ATOM 0 HG2 LYS A 73 8.296 4.753 5.571 1.00 0.00 H new ATOM 0 HG3 LYS A 73 8.924 3.161 5.194 1.00 0.00 H new ATOM 0 HD2 LYS A 73 9.449 5.560 3.407 1.00 0.00 H new ATOM 0 HD3 LYS A 73 10.477 5.179 4.773 1.00 0.00 H new ATOM 0 HE2 LYS A 73 11.013 2.985 3.840 1.00 0.00 H new ATOM 0 HE3 LYS A 73 9.844 3.197 2.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 12.083 3.648 1.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 11.148 5.064 1.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 12.282 4.859 2.959 1.00 0.00 H new ATOM 1200 N TYR A 74 4.779 4.402 2.173 1.00 0.00 N ATOM 1201 CA TYR A 74 3.960 4.131 0.998 1.00 0.00 C ATOM 1202 C TYR A 74 3.592 5.425 0.280 1.00 0.00 C ATOM 1203 O TYR A 74 3.384 6.461 0.911 1.00 0.00 O ATOM 1204 CB TYR A 74 2.690 3.378 1.399 1.00 0.00 C ATOM 1205 CG TYR A 74 2.857 1.875 1.416 1.00 0.00 C ATOM 1206 CD1 TYR A 74 3.459 1.211 0.355 1.00 0.00 C ATOM 1207 CD2 TYR A 74 2.414 1.120 2.495 1.00 0.00 C ATOM 1208 CE1 TYR A 74 3.613 -0.162 0.366 1.00 0.00 C ATOM 1209 CE2 TYR A 74 2.565 -0.253 2.516 1.00 0.00 C ATOM 1210 CZ TYR A 74 3.164 -0.889 1.449 1.00 0.00 C ATOM 1211 OH TYR A 74 3.317 -2.257 1.465 1.00 0.00 O ATOM 0 H TYR A 74 4.340 4.153 3.060 1.00 0.00 H new ATOM 0 HA TYR A 74 4.542 3.512 0.316 1.00 0.00 H new ATOM 0 HB2 TYR A 74 2.377 3.712 2.388 1.00 0.00 H new ATOM 0 HB3 TYR A 74 1.889 3.638 0.707 1.00 0.00 H new ATOM 0 HD1 TYR A 74 3.813 1.778 -0.493 1.00 0.00 H new ATOM 0 HD2 TYR A 74 1.944 1.615 3.332 1.00 0.00 H new ATOM 0 HE1 TYR A 74 4.082 -0.663 -0.468 1.00 0.00 H new ATOM 0 HE2 TYR A 74 2.216 -0.825 3.363 1.00 0.00 H new ATOM 0 HH TYR A 74 3.917 -2.511 2.197 1.00 0.00 H new ATOM 1221 N ARG A 75 3.512 5.357 -1.045 1.00 0.00 N ATOM 1222 CA ARG A 75 3.169 6.522 -1.851 1.00 0.00 C ATOM 1223 C ARG A 75 1.696 6.495 -2.248 1.00 0.00 C ATOM 1224 O ARG A 75 1.047 7.537 -2.336 1.00 0.00 O ATOM 1225 CB ARG A 75 4.045 6.577 -3.104 1.00 0.00 C ATOM 1226 CG ARG A 75 3.434 7.383 -4.239 1.00 0.00 C ATOM 1227 CD ARG A 75 4.504 7.940 -5.165 1.00 0.00 C ATOM 1228 NE ARG A 75 4.818 7.019 -6.255 1.00 0.00 N ATOM 1229 CZ ARG A 75 3.959 6.696 -7.215 1.00 0.00 C ATOM 1230 NH1 ARG A 75 2.739 7.216 -7.220 1.00 0.00 N ATOM 1231 NH2 ARG A 75 4.319 5.850 -8.172 1.00 0.00 N ATOM 0 H ARG A 75 3.680 4.507 -1.583 1.00 0.00 H new ATOM 0 HA ARG A 75 3.349 7.414 -1.250 1.00 0.00 H new ATOM 0 HB2 ARG A 75 5.011 7.008 -2.843 1.00 0.00 H new ATOM 0 HB3 ARG A 75 4.232 5.561 -3.451 1.00 0.00 H new ATOM 0 HG2 ARG A 75 2.751 6.752 -4.808 1.00 0.00 H new ATOM 0 HG3 ARG A 75 2.844 8.202 -3.828 1.00 0.00 H new ATOM 0 HD2 ARG A 75 4.166 8.890 -5.579 1.00 0.00 H new ATOM 0 HD3 ARG A 75 5.408 8.145 -4.592 1.00 0.00 H new ATOM 0 HE ARG A 75 5.748 6.601 -6.280 1.00 0.00 H new ATOM 0 HH11 ARG A 75 2.459 7.866 -6.485 1.00 0.00 H new ATOM 0 HH12 ARG A 75 2.081 6.966 -7.958 1.00 0.00 H new ATOM 0 HH21 ARG A 75 5.256 5.447 -8.171 1.00 0.00 H new ATOM 0 HH22 ARG A 75 3.659 5.603 -8.909 1.00 0.00 H new ATOM 1245 N SER A 76 1.175 5.296 -2.486 1.00 0.00 N ATOM 1246 CA SER A 76 -0.220 5.133 -2.878 1.00 0.00 C ATOM 1247 C SER A 76 -0.670 3.686 -2.698 1.00 0.00 C ATOM 1248 O SER A 76 0.151 2.767 -2.673 1.00 0.00 O ATOM 1249 CB SER A 76 -0.417 5.562 -4.333 1.00 0.00 C ATOM 1250 OG SER A 76 -0.384 6.974 -4.457 1.00 0.00 O ATOM 0 H SER A 76 1.698 4.423 -2.414 1.00 0.00 H new ATOM 0 HA SER A 76 -0.828 5.768 -2.234 1.00 0.00 H new ATOM 0 HB2 SER A 76 0.362 5.121 -4.954 1.00 0.00 H new ATOM 0 HB3 SER A 76 -1.371 5.184 -4.701 1.00 0.00 H new ATOM 0 HG SER A 76 -0.228 7.376 -3.577 1.00 0.00 H new ATOM 1256 N LEU A 77 -1.978 3.491 -2.573 1.00 0.00 N ATOM 1257 CA LEU A 77 -2.538 2.156 -2.395 1.00 0.00 C ATOM 1258 C LEU A 77 -1.858 1.151 -3.320 1.00 0.00 C ATOM 1259 O LEU A 77 -1.392 0.102 -2.878 1.00 0.00 O ATOM 1260 CB LEU A 77 -4.044 2.174 -2.664 1.00 0.00 C ATOM 1261 CG LEU A 77 -4.877 1.152 -1.888 1.00 0.00 C ATOM 1262 CD1 LEU A 77 -6.344 1.256 -2.274 1.00 0.00 C ATOM 1263 CD2 LEU A 77 -4.357 -0.257 -2.134 1.00 0.00 C ATOM 0 H LEU A 77 -2.670 4.240 -2.592 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.362 1.850 -1.364 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.422 3.170 -2.435 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -4.204 2.010 -3.730 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.786 1.370 -0.824 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -6.921 0.522 -1.712 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -6.710 2.257 -2.046 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -6.454 1.064 -3.341 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.961 -0.971 -1.574 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -4.417 -0.486 -3.198 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.320 -0.324 -1.806 1.00 0.00 H new ATOM 1275 N GLY A 78 -1.801 1.483 -4.606 1.00 0.00 N ATOM 1276 CA GLY A 78 -1.173 0.600 -5.573 1.00 0.00 C ATOM 1277 C GLY A 78 0.093 -0.038 -5.038 1.00 0.00 C ATOM 1278 O GLY A 78 0.283 -1.249 -5.153 1.00 0.00 O ATOM 0 H GLY A 78 -2.178 2.347 -4.996 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -1.877 -0.181 -5.858 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -0.939 1.163 -6.476 1.00 0.00 H new ATOM 1282 N ASP A 79 0.963 0.778 -4.452 1.00 0.00 N ATOM 1283 CA ASP A 79 2.219 0.286 -3.898 1.00 0.00 C ATOM 1284 C ASP A 79 1.972 -0.870 -2.934 1.00 0.00 C ATOM 1285 O ASP A 79 2.529 -1.957 -3.095 1.00 0.00 O ATOM 1286 CB ASP A 79 2.962 1.415 -3.181 1.00 0.00 C ATOM 1287 CG ASP A 79 3.741 2.295 -4.139 1.00 0.00 C ATOM 1288 OD1 ASP A 79 3.108 3.105 -4.848 1.00 0.00 O ATOM 1289 OD2 ASP A 79 4.983 2.173 -4.180 1.00 0.00 O ATOM 0 H ASP A 79 0.821 1.783 -4.349 1.00 0.00 H new ATOM 0 HA ASP A 79 2.834 -0.077 -4.722 1.00 0.00 H new ATOM 0 HB2 ASP A 79 2.246 2.026 -2.632 1.00 0.00 H new ATOM 0 HB3 ASP A 79 3.645 0.988 -2.447 1.00 0.00 H new ATOM 1294 N LEU A 80 1.134 -0.628 -1.931 1.00 0.00 N ATOM 1295 CA LEU A 80 0.814 -1.649 -0.940 1.00 0.00 C ATOM 1296 C LEU A 80 0.619 -3.009 -1.601 1.00 0.00 C ATOM 1297 O LEU A 80 1.192 -4.008 -1.168 1.00 0.00 O ATOM 1298 CB LEU A 80 -0.448 -1.259 -0.168 1.00 0.00 C ATOM 1299 CG LEU A 80 -0.908 -2.244 0.908 1.00 0.00 C ATOM 1300 CD1 LEU A 80 -0.001 -2.165 2.126 1.00 0.00 C ATOM 1301 CD2 LEU A 80 -2.353 -1.971 1.298 1.00 0.00 C ATOM 0 H LEU A 80 0.665 0.265 -1.783 1.00 0.00 H new ATOM 0 HA LEU A 80 1.651 -1.721 -0.246 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.277 -0.291 0.303 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.261 -1.127 -0.882 1.00 0.00 H new ATOM 0 HG LEU A 80 -0.847 -3.253 0.500 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.343 -2.873 2.881 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.021 -2.410 1.835 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.029 -1.155 2.536 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -2.663 -2.681 2.064 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.439 -0.956 1.687 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -2.993 -2.080 0.422 1.00 0.00 H new ATOM 1313 N GLU A 81 -0.191 -3.039 -2.655 1.00 0.00 N ATOM 1314 CA GLU A 81 -0.459 -4.277 -3.377 1.00 0.00 C ATOM 1315 C GLU A 81 0.841 -4.995 -3.728 1.00 0.00 C ATOM 1316 O GLU A 81 1.060 -6.138 -3.325 1.00 0.00 O ATOM 1317 CB GLU A 81 -1.255 -3.988 -4.652 1.00 0.00 C ATOM 1318 CG GLU A 81 -1.509 -5.220 -5.503 1.00 0.00 C ATOM 1319 CD GLU A 81 -1.950 -4.875 -6.912 1.00 0.00 C ATOM 1320 OE1 GLU A 81 -1.511 -3.827 -7.431 1.00 0.00 O ATOM 1321 OE2 GLU A 81 -2.733 -5.652 -7.497 1.00 0.00 O ATOM 0 H GLU A 81 -0.673 -2.221 -3.027 1.00 0.00 H new ATOM 0 HA GLU A 81 -1.048 -4.925 -2.728 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -2.211 -3.541 -4.380 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -0.717 -3.250 -5.247 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -0.600 -5.820 -5.547 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -2.273 -5.834 -5.027 1.00 0.00 H new ATOM 1328 N LYS A 82 1.700 -4.317 -4.481 1.00 0.00 N ATOM 1329 CA LYS A 82 2.979 -4.887 -4.886 1.00 0.00 C ATOM 1330 C LYS A 82 3.544 -5.788 -3.793 1.00 0.00 C ATOM 1331 O LYS A 82 4.011 -6.894 -4.065 1.00 0.00 O ATOM 1332 CB LYS A 82 3.977 -3.774 -5.212 1.00 0.00 C ATOM 1333 CG LYS A 82 3.580 -2.934 -6.414 1.00 0.00 C ATOM 1334 CD LYS A 82 4.738 -2.081 -6.904 1.00 0.00 C ATOM 1335 CE LYS A 82 5.737 -2.904 -7.703 1.00 0.00 C ATOM 1336 NZ LYS A 82 5.172 -3.350 -9.006 1.00 0.00 N ATOM 0 H LYS A 82 1.533 -3.371 -4.824 1.00 0.00 H new ATOM 0 HA LYS A 82 2.813 -5.490 -5.779 1.00 0.00 H new ATOM 0 HB2 LYS A 82 4.080 -3.124 -4.343 1.00 0.00 H new ATOM 0 HB3 LYS A 82 4.956 -4.217 -5.396 1.00 0.00 H new ATOM 0 HG2 LYS A 82 3.241 -3.586 -7.219 1.00 0.00 H new ATOM 0 HG3 LYS A 82 2.740 -2.292 -6.149 1.00 0.00 H new ATOM 0 HD2 LYS A 82 4.357 -1.269 -7.523 1.00 0.00 H new ATOM 0 HD3 LYS A 82 5.241 -1.624 -6.052 1.00 0.00 H new ATOM 0 HE2 LYS A 82 6.635 -2.313 -7.880 1.00 0.00 H new ATOM 0 HE3 LYS A 82 6.038 -3.775 -7.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 5.946 -3.617 -9.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 4.551 -4.170 -8.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 4.623 -2.575 -9.430 1.00 0.00 H new ATOM 1350 N ASP A 83 3.498 -5.307 -2.555 1.00 0.00 N ATOM 1351 CA ASP A 83 4.004 -6.070 -1.419 1.00 0.00 C ATOM 1352 C ASP A 83 3.058 -7.215 -1.070 1.00 0.00 C ATOM 1353 O ASP A 83 3.443 -8.384 -1.103 1.00 0.00 O ATOM 1354 CB ASP A 83 4.189 -5.157 -0.206 1.00 0.00 C ATOM 1355 CG ASP A 83 5.309 -5.623 0.703 1.00 0.00 C ATOM 1356 OD1 ASP A 83 5.769 -6.772 0.537 1.00 0.00 O ATOM 1357 OD2 ASP A 83 5.726 -4.838 1.580 1.00 0.00 O ATOM 0 H ASP A 83 3.116 -4.393 -2.313 1.00 0.00 H new ATOM 0 HA ASP A 83 4.970 -6.492 -1.697 1.00 0.00 H new ATOM 0 HB2 ASP A 83 4.399 -4.143 -0.547 1.00 0.00 H new ATOM 0 HB3 ASP A 83 3.258 -5.117 0.360 1.00 0.00 H new ATOM 1362 N VAL A 84 1.819 -6.871 -0.734 1.00 0.00 N ATOM 1363 CA VAL A 84 0.818 -7.870 -0.379 1.00 0.00 C ATOM 1364 C VAL A 84 0.918 -9.094 -1.283 1.00 0.00 C ATOM 1365 O VAL A 84 0.972 -10.227 -0.806 1.00 0.00 O ATOM 1366 CB VAL A 84 -0.607 -7.294 -0.469 1.00 0.00 C ATOM 1367 CG1 VAL A 84 -1.637 -8.358 -0.120 1.00 0.00 C ATOM 1368 CG2 VAL A 84 -0.750 -6.083 0.441 1.00 0.00 C ATOM 0 H VAL A 84 1.484 -5.908 -0.700 1.00 0.00 H new ATOM 0 HA VAL A 84 1.018 -8.165 0.651 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.786 -6.973 -1.495 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -2.638 -7.932 -0.189 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -1.549 -9.192 -0.816 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.463 -8.713 0.896 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -1.763 -5.688 0.365 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -0.551 -6.377 1.472 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -0.038 -5.315 0.139 1.00 0.00 H new ATOM 1378 N MET A 85 0.942 -8.857 -2.590 1.00 0.00 N ATOM 1379 CA MET A 85 1.037 -9.940 -3.561 1.00 0.00 C ATOM 1380 C MET A 85 2.387 -10.642 -3.462 1.00 0.00 C ATOM 1381 O MET A 85 2.490 -11.848 -3.692 1.00 0.00 O ATOM 1382 CB MET A 85 0.831 -9.402 -4.979 1.00 0.00 C ATOM 1383 CG MET A 85 -0.502 -8.699 -5.175 1.00 0.00 C ATOM 1384 SD MET A 85 -1.900 -9.837 -5.135 1.00 0.00 S ATOM 1385 CE MET A 85 -2.460 -9.626 -3.447 1.00 0.00 C ATOM 0 H MET A 85 0.897 -7.925 -3.001 1.00 0.00 H new ATOM 0 HA MET A 85 0.254 -10.664 -3.338 1.00 0.00 H new ATOM 0 HB2 MET A 85 1.637 -8.707 -5.216 1.00 0.00 H new ATOM 0 HB3 MET A 85 0.904 -10.228 -5.686 1.00 0.00 H new ATOM 0 HG2 MET A 85 -0.629 -7.946 -4.397 1.00 0.00 H new ATOM 0 HG3 MET A 85 -0.494 -8.173 -6.130 1.00 0.00 H new ATOM 0 HE1 MET A 85 -3.532 -9.814 -3.393 1.00 0.00 H new ATOM 0 HE2 MET A 85 -1.936 -10.328 -2.799 1.00 0.00 H new ATOM 0 HE3 MET A 85 -2.253 -8.607 -3.120 1.00 0.00 H new ATOM 1395 N LEU A 86 3.421 -9.882 -3.119 1.00 0.00 N ATOM 1396 CA LEU A 86 4.766 -10.431 -2.990 1.00 0.00 C ATOM 1397 C LEU A 86 4.851 -11.391 -1.807 1.00 0.00 C ATOM 1398 O LEU A 86 5.473 -12.450 -1.896 1.00 0.00 O ATOM 1399 CB LEU A 86 5.785 -9.303 -2.820 1.00 0.00 C ATOM 1400 CG LEU A 86 7.232 -9.647 -3.175 1.00 0.00 C ATOM 1401 CD1 LEU A 86 7.801 -10.650 -2.183 1.00 0.00 C ATOM 1402 CD2 LEU A 86 7.318 -10.190 -4.594 1.00 0.00 C ATOM 0 H LEU A 86 3.354 -8.883 -2.925 1.00 0.00 H new ATOM 0 HA LEU A 86 4.995 -10.984 -3.901 1.00 0.00 H new ATOM 0 HB2 LEU A 86 5.471 -8.461 -3.437 1.00 0.00 H new ATOM 0 HB3 LEU A 86 5.756 -8.967 -1.783 1.00 0.00 H new ATOM 0 HG LEU A 86 7.826 -8.735 -3.119 1.00 0.00 H new ATOM 0 HD11 LEU A 86 8.831 -10.883 -2.452 1.00 0.00 H new ATOM 0 HD12 LEU A 86 7.775 -10.224 -1.180 1.00 0.00 H new ATOM 0 HD13 LEU A 86 7.205 -11.562 -2.206 1.00 0.00 H new ATOM 0 HD21 LEU A 86 8.355 -10.429 -4.830 1.00 0.00 H new ATOM 0 HD22 LEU A 86 6.710 -11.091 -4.676 1.00 0.00 H new ATOM 0 HD23 LEU A 86 6.951 -9.439 -5.294 1.00 0.00 H new ATOM 1414 N LEU A 87 4.220 -11.014 -0.700 1.00 0.00 N ATOM 1415 CA LEU A 87 4.222 -11.842 0.501 1.00 0.00 C ATOM 1416 C LEU A 87 3.589 -13.202 0.226 1.00 0.00 C ATOM 1417 O LEU A 87 4.045 -14.225 0.738 1.00 0.00 O ATOM 1418 CB LEU A 87 3.470 -11.137 1.631 1.00 0.00 C ATOM 1419 CG LEU A 87 2.984 -12.030 2.774 1.00 0.00 C ATOM 1420 CD1 LEU A 87 2.953 -11.254 4.082 1.00 0.00 C ATOM 1421 CD2 LEU A 87 1.610 -12.601 2.457 1.00 0.00 C ATOM 0 H LEU A 87 3.701 -10.141 -0.609 1.00 0.00 H new ATOM 0 HA LEU A 87 5.258 -11.998 0.803 1.00 0.00 H new ATOM 0 HB2 LEU A 87 4.120 -10.368 2.049 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.607 -10.627 1.203 1.00 0.00 H new ATOM 0 HG LEU A 87 3.683 -12.859 2.884 1.00 0.00 H new ATOM 0 HD11 LEU A 87 2.605 -11.906 4.883 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.955 -10.895 4.316 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.277 -10.405 3.985 1.00 0.00 H new ATOM 0 HD21 LEU A 87 1.280 -13.234 3.281 1.00 0.00 H new ATOM 0 HD22 LEU A 87 0.900 -11.785 2.319 1.00 0.00 H new ATOM 0 HD23 LEU A 87 1.664 -13.194 1.544 1.00 0.00 H new ATOM 1433 N CYS A 88 2.539 -13.207 -0.588 1.00 0.00 N ATOM 1434 CA CYS A 88 1.844 -14.442 -0.933 1.00 0.00 C ATOM 1435 C CYS A 88 2.695 -15.303 -1.861 1.00 0.00 C ATOM 1436 O CYS A 88 3.013 -16.449 -1.544 1.00 0.00 O ATOM 1437 CB CYS A 88 0.502 -14.129 -1.596 1.00 0.00 C ATOM 1438 SG CYS A 88 -0.738 -13.451 -0.467 1.00 0.00 S ATOM 0 H CYS A 88 2.150 -12.369 -1.021 1.00 0.00 H new ATOM 0 HA CYS A 88 1.665 -14.998 -0.013 1.00 0.00 H new ATOM 0 HB2 CYS A 88 0.666 -13.420 -2.407 1.00 0.00 H new ATOM 0 HB3 CYS A 88 0.109 -15.041 -2.045 1.00 0.00 H new ATOM 0 HG CYS A 88 -1.757 -13.021 -1.150 1.00 0.00 H new ATOM 1444 N HIS A 89 3.059 -14.743 -3.011 1.00 0.00 N ATOM 1445 CA HIS A 89 3.872 -15.460 -3.987 1.00 0.00 C ATOM 1446 C HIS A 89 5.055 -16.145 -3.310 1.00 0.00 C ATOM 1447 O HIS A 89 5.330 -17.318 -3.557 1.00 0.00 O ATOM 1448 CB HIS A 89 4.373 -14.501 -5.067 1.00 0.00 C ATOM 1449 CG HIS A 89 5.427 -15.093 -5.951 1.00 0.00 C ATOM 1450 ND1 HIS A 89 6.637 -15.622 -5.654 1.00 0.00 N flip ATOM 1451 CD2 HIS A 89 5.295 -15.186 -7.321 1.00 0.00 C flip ATOM 1452 CE1 HIS A 89 7.208 -16.023 -6.837 1.00 0.00 C flip ATOM 1453 NE2 HIS A 89 6.378 -15.749 -7.828 1.00 0.00 N flip ATOM 0 H HIS A 89 2.804 -13.795 -3.289 1.00 0.00 H new ATOM 0 HA HIS A 89 3.249 -16.225 -4.451 1.00 0.00 H new ATOM 0 HB2 HIS A 89 3.530 -14.186 -5.682 1.00 0.00 H new ATOM 0 HB3 HIS A 89 4.771 -13.606 -4.590 1.00 0.00 H new ATOM 0 HD2 HIS A 89 4.440 -14.851 -7.890 1.00 0.00 H new ATOM 0 HE1 HIS A 89 8.178 -16.487 -6.940 1.00 0.00 H new ATOM 0 HE2 HIS A 89 6.545 -15.940 -8.816 1.00 0.00 H new ATOM 1462 N ASN A 90 5.752 -15.403 -2.455 1.00 0.00 N ATOM 1463 CA ASN A 90 6.907 -15.939 -1.743 1.00 0.00 C ATOM 1464 C ASN A 90 6.549 -17.236 -1.024 1.00 0.00 C ATOM 1465 O ASN A 90 7.361 -18.158 -0.946 1.00 0.00 O ATOM 1466 CB ASN A 90 7.432 -14.914 -0.736 1.00 0.00 C ATOM 1467 CG ASN A 90 8.433 -13.957 -1.354 1.00 0.00 C ATOM 1468 OD1 ASN A 90 8.841 -14.124 -2.504 1.00 0.00 O ATOM 1469 ND2 ASN A 90 8.834 -12.946 -0.592 1.00 0.00 N ATOM 0 H ASN A 90 5.537 -14.430 -2.239 1.00 0.00 H new ATOM 0 HA ASN A 90 7.686 -16.153 -2.475 1.00 0.00 H new ATOM 0 HB2 ASN A 90 6.595 -14.347 -0.329 1.00 0.00 H new ATOM 0 HB3 ASN A 90 7.900 -15.436 0.099 1.00 0.00 H new ATOM 0 HD21 ASN A 90 9.506 -12.270 -0.954 1.00 0.00 H new ATOM 0 HD22 ASN A 90 8.470 -12.846 0.356 1.00 0.00 H new ATOM 1476 N ALA A 91 5.329 -17.300 -0.502 1.00 0.00 N ATOM 1477 CA ALA A 91 4.862 -18.485 0.207 1.00 0.00 C ATOM 1478 C ALA A 91 4.860 -19.706 -0.706 1.00 0.00 C ATOM 1479 O ALA A 91 5.533 -20.699 -0.431 1.00 0.00 O ATOM 1480 CB ALA A 91 3.471 -18.246 0.776 1.00 0.00 C ATOM 0 H ALA A 91 4.646 -16.545 -0.557 1.00 0.00 H new ATOM 0 HA ALA A 91 5.550 -18.681 1.029 1.00 0.00 H new ATOM 0 HB1 ALA A 91 3.135 -19.139 1.303 1.00 0.00 H new ATOM 0 HB2 ALA A 91 3.501 -17.406 1.469 1.00 0.00 H new ATOM 0 HB3 ALA A 91 2.779 -18.022 -0.036 1.00 0.00 H new ATOM 1486 N GLN A 92 4.098 -19.626 -1.793 1.00 0.00 N ATOM 1487 CA GLN A 92 4.008 -20.726 -2.745 1.00 0.00 C ATOM 1488 C GLN A 92 5.395 -21.166 -3.202 1.00 0.00 C ATOM 1489 O GLN A 92 5.611 -22.332 -3.532 1.00 0.00 O ATOM 1490 CB GLN A 92 3.167 -20.314 -3.954 1.00 0.00 C ATOM 1491 CG GLN A 92 1.778 -19.814 -3.588 1.00 0.00 C ATOM 1492 CD GLN A 92 1.020 -19.271 -4.783 1.00 0.00 C ATOM 1493 OE1 GLN A 92 -0.130 -19.867 -5.075 1.00 0.00 O flip ATOM 1494 NE2 GLN A 92 1.462 -18.325 -5.436 1.00 0.00 N flip ATOM 0 H GLN A 92 3.535 -18.811 -2.035 1.00 0.00 H new ATOM 0 HA GLN A 92 3.527 -21.567 -2.246 1.00 0.00 H new ATOM 0 HB2 GLN A 92 3.693 -19.532 -4.502 1.00 0.00 H new ATOM 0 HB3 GLN A 92 3.072 -21.166 -4.627 1.00 0.00 H new ATOM 0 HG2 GLN A 92 1.209 -20.629 -3.141 1.00 0.00 H new ATOM 0 HG3 GLN A 92 1.864 -19.034 -2.832 1.00 0.00 H new ATOM 0 HE21 GLN A 92 2.350 -17.897 -5.176 1.00 0.00 H new ATOM 0 HE22 GLN A 92 0.940 -17.970 -6.237 1.00 0.00 H new ATOM 1503 N THR A 93 6.333 -20.224 -3.219 1.00 0.00 N ATOM 1504 CA THR A 93 7.699 -20.514 -3.637 1.00 0.00 C ATOM 1505 C THR A 93 8.329 -21.584 -2.754 1.00 0.00 C ATOM 1506 O THR A 93 8.772 -22.624 -3.242 1.00 0.00 O ATOM 1507 CB THR A 93 8.578 -19.250 -3.598 1.00 0.00 C ATOM 1508 OG1 THR A 93 7.920 -18.174 -4.276 1.00 0.00 O ATOM 1509 CG2 THR A 93 9.931 -19.511 -4.244 1.00 0.00 C ATOM 0 H THR A 93 6.172 -19.254 -2.948 1.00 0.00 H new ATOM 0 HA THR A 93 7.645 -20.879 -4.663 1.00 0.00 H new ATOM 0 HB THR A 93 8.738 -18.978 -2.555 1.00 0.00 H new ATOM 0 HG1 THR A 93 7.109 -17.926 -3.786 1.00 0.00 H new ATOM 0 HG21 THR A 93 10.534 -18.604 -4.205 1.00 0.00 H new ATOM 0 HG22 THR A 93 10.442 -20.310 -3.707 1.00 0.00 H new ATOM 0 HG23 THR A 93 9.787 -19.806 -5.283 1.00 0.00 H new ATOM 1517 N PHE A 94 8.364 -21.324 -1.451 1.00 0.00 N ATOM 1518 CA PHE A 94 8.940 -22.267 -0.499 1.00 0.00 C ATOM 1519 C PHE A 94 7.965 -23.401 -0.198 1.00 0.00 C ATOM 1520 O PHE A 94 8.305 -24.576 -0.322 1.00 0.00 O ATOM 1521 CB PHE A 94 9.319 -21.547 0.797 1.00 0.00 C ATOM 1522 CG PHE A 94 10.487 -22.169 1.509 1.00 0.00 C ATOM 1523 CD1 PHE A 94 11.661 -22.447 0.828 1.00 0.00 C ATOM 1524 CD2 PHE A 94 10.411 -22.474 2.858 1.00 0.00 C ATOM 1525 CE1 PHE A 94 12.738 -23.019 1.479 1.00 0.00 C ATOM 1526 CE2 PHE A 94 11.485 -23.045 3.515 1.00 0.00 C ATOM 1527 CZ PHE A 94 12.649 -23.319 2.824 1.00 0.00 C ATOM 0 H PHE A 94 8.001 -20.469 -1.030 1.00 0.00 H new ATOM 0 HA PHE A 94 9.838 -22.694 -0.946 1.00 0.00 H new ATOM 0 HB2 PHE A 94 9.554 -20.507 0.570 1.00 0.00 H new ATOM 0 HB3 PHE A 94 8.458 -21.541 1.465 1.00 0.00 H new ATOM 0 HD1 PHE A 94 11.736 -22.214 -0.224 1.00 0.00 H new ATOM 0 HD2 PHE A 94 9.503 -22.263 3.403 1.00 0.00 H new ATOM 0 HE1 PHE A 94 13.648 -23.231 0.937 1.00 0.00 H new ATOM 0 HE2 PHE A 94 11.414 -23.277 4.567 1.00 0.00 H new ATOM 0 HZ PHE A 94 13.488 -23.767 3.335 1.00 0.00 H new ATOM 1537 N ASN A 95 6.749 -23.038 0.200 1.00 0.00 N ATOM 1538 CA ASN A 95 5.724 -24.024 0.520 1.00 0.00 C ATOM 1539 C ASN A 95 5.505 -24.981 -0.649 1.00 0.00 C ATOM 1540 O ASN A 95 5.943 -24.719 -1.770 1.00 0.00 O ATOM 1541 CB ASN A 95 4.409 -23.327 0.875 1.00 0.00 C ATOM 1542 CG ASN A 95 4.307 -23.004 2.354 1.00 0.00 C ATOM 1543 OD1 ASN A 95 3.691 -23.744 3.121 1.00 0.00 O ATOM 1544 ND2 ASN A 95 4.913 -21.894 2.760 1.00 0.00 N ATOM 0 H ASN A 95 6.450 -22.069 0.308 1.00 0.00 H new ATOM 0 HA ASN A 95 6.066 -24.600 1.380 1.00 0.00 H new ATOM 0 HB2 ASN A 95 4.321 -22.406 0.298 1.00 0.00 H new ATOM 0 HB3 ASN A 95 3.573 -23.965 0.587 1.00 0.00 H new ATOM 0 HD21 ASN A 95 4.879 -21.625 3.743 1.00 0.00 H new ATOM 0 HD22 ASN A 95 5.412 -21.311 2.089 1.00 0.00 H new ATOM 1551 N LEU A 96 4.825 -26.089 -0.379 1.00 0.00 N ATOM 1552 CA LEU A 96 4.546 -27.085 -1.408 1.00 0.00 C ATOM 1553 C LEU A 96 3.199 -26.820 -2.072 1.00 0.00 C ATOM 1554 O LEU A 96 2.367 -26.087 -1.539 1.00 0.00 O ATOM 1555 CB LEU A 96 4.562 -28.490 -0.802 1.00 0.00 C ATOM 1556 CG LEU A 96 5.926 -29.177 -0.734 1.00 0.00 C ATOM 1557 CD1 LEU A 96 6.405 -29.552 -2.128 1.00 0.00 C ATOM 1558 CD2 LEU A 96 6.942 -28.278 -0.044 1.00 0.00 C ATOM 0 H LEU A 96 4.456 -26.321 0.543 1.00 0.00 H new ATOM 0 HA LEU A 96 5.324 -27.015 -2.168 1.00 0.00 H new ATOM 0 HB2 LEU A 96 4.156 -28.433 0.208 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.888 -29.121 -1.381 1.00 0.00 H new ATOM 0 HG LEU A 96 5.822 -30.091 -0.149 1.00 0.00 H new ATOM 0 HD11 LEU A 96 7.377 -30.040 -2.060 1.00 0.00 H new ATOM 0 HD12 LEU A 96 5.689 -30.233 -2.588 1.00 0.00 H new ATOM 0 HD13 LEU A 96 6.493 -28.652 -2.737 1.00 0.00 H new ATOM 0 HD21 LEU A 96 7.907 -28.783 -0.004 1.00 0.00 H new ATOM 0 HD22 LEU A 96 7.042 -27.347 -0.602 1.00 0.00 H new ATOM 0 HD23 LEU A 96 6.605 -28.059 0.969 1.00 0.00 H new ATOM 1570 N GLU A 97 2.991 -27.424 -3.238 1.00 0.00 N ATOM 1571 CA GLU A 97 1.744 -27.253 -3.974 1.00 0.00 C ATOM 1572 C GLU A 97 0.583 -27.914 -3.237 1.00 0.00 C ATOM 1573 O GLU A 97 0.784 -28.790 -2.397 1.00 0.00 O ATOM 1574 CB GLU A 97 1.872 -27.842 -5.381 1.00 0.00 C ATOM 1575 CG GLU A 97 2.370 -26.847 -6.415 1.00 0.00 C ATOM 1576 CD GLU A 97 2.444 -27.441 -7.808 1.00 0.00 C ATOM 1577 OE1 GLU A 97 2.621 -28.672 -7.919 1.00 0.00 O ATOM 1578 OE2 GLU A 97 2.324 -26.675 -8.787 1.00 0.00 O ATOM 0 H GLU A 97 3.669 -28.035 -3.693 1.00 0.00 H new ATOM 0 HA GLU A 97 1.541 -26.185 -4.052 1.00 0.00 H new ATOM 0 HB2 GLU A 97 2.554 -28.692 -5.349 1.00 0.00 H new ATOM 0 HB3 GLU A 97 0.901 -28.224 -5.695 1.00 0.00 H new ATOM 0 HG2 GLU A 97 1.709 -25.981 -6.428 1.00 0.00 H new ATOM 0 HG3 GLU A 97 3.358 -26.490 -6.124 1.00 0.00 H new ATOM 1585 N GLY A 98 -0.635 -27.487 -3.559 1.00 0.00 N ATOM 1586 CA GLY A 98 -1.810 -28.047 -2.919 1.00 0.00 C ATOM 1587 C GLY A 98 -1.558 -28.425 -1.473 1.00 0.00 C ATOM 1588 O GLY A 98 -2.133 -29.390 -0.968 1.00 0.00 O ATOM 0 H GLY A 98 -0.828 -26.763 -4.252 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -2.625 -27.324 -2.966 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -2.135 -28.929 -3.471 1.00 0.00 H new ATOM 1592 N SER A 99 -0.695 -27.666 -0.806 1.00 0.00 N ATOM 1593 CA SER A 99 -0.364 -27.931 0.589 1.00 0.00 C ATOM 1594 C SER A 99 -1.237 -27.097 1.523 1.00 0.00 C ATOM 1595 O SER A 99 -1.710 -26.023 1.152 1.00 0.00 O ATOM 1596 CB SER A 99 1.113 -27.630 0.851 1.00 0.00 C ATOM 1597 OG SER A 99 1.432 -27.791 2.222 1.00 0.00 O ATOM 0 H SER A 99 -0.212 -26.863 -1.209 1.00 0.00 H new ATOM 0 HA SER A 99 -0.554 -28.986 0.787 1.00 0.00 H new ATOM 0 HB2 SER A 99 1.735 -28.293 0.250 1.00 0.00 H new ATOM 0 HB3 SER A 99 1.340 -26.611 0.539 1.00 0.00 H new ATOM 0 HG SER A 99 2.382 -27.594 2.362 1.00 0.00 H new ATOM 1603 N GLN A 100 -1.444 -27.600 2.735 1.00 0.00 N ATOM 1604 CA GLN A 100 -2.260 -26.902 3.722 1.00 0.00 C ATOM 1605 C GLN A 100 -2.104 -25.391 3.587 1.00 0.00 C ATOM 1606 O GLN A 100 -3.083 -24.672 3.387 1.00 0.00 O ATOM 1607 CB GLN A 100 -1.876 -27.343 5.136 1.00 0.00 C ATOM 1608 CG GLN A 100 -2.888 -26.937 6.195 1.00 0.00 C ATOM 1609 CD GLN A 100 -4.288 -27.429 5.884 1.00 0.00 C ATOM 1610 OE1 GLN A 100 -5.154 -26.654 5.476 1.00 0.00 O ATOM 1611 NE2 GLN A 100 -4.517 -28.722 6.076 1.00 0.00 N ATOM 0 H GLN A 100 -1.059 -28.488 3.058 1.00 0.00 H new ATOM 0 HA GLN A 100 -3.304 -27.158 3.540 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -1.761 -28.427 5.151 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -0.906 -26.916 5.390 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -2.575 -27.332 7.162 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -2.900 -25.851 6.283 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -3.770 -29.327 6.415 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -5.440 -29.110 5.884 1.00 0.00 H new ATOM 1620 N ILE A 101 -0.868 -24.917 3.700 1.00 0.00 N ATOM 1621 CA ILE A 101 -0.584 -23.492 3.590 1.00 0.00 C ATOM 1622 C ILE A 101 -0.810 -22.994 2.166 1.00 0.00 C ATOM 1623 O ILE A 101 -1.429 -21.952 1.953 1.00 0.00 O ATOM 1624 CB ILE A 101 0.863 -23.172 4.010 1.00 0.00 C ATOM 1625 CG1 ILE A 101 1.036 -23.371 5.517 1.00 0.00 C ATOM 1626 CG2 ILE A 101 1.227 -21.749 3.613 1.00 0.00 C ATOM 1627 CD1 ILE A 101 2.458 -23.176 5.994 1.00 0.00 C ATOM 0 H ILE A 101 -0.047 -25.499 3.868 1.00 0.00 H new ATOM 0 HA ILE A 101 -1.271 -22.981 4.264 1.00 0.00 H new ATOM 0 HB ILE A 101 1.536 -23.856 3.493 1.00 0.00 H new ATOM 0 HG12 ILE A 101 0.386 -22.673 6.044 1.00 0.00 H new ATOM 0 HG13 ILE A 101 0.707 -24.376 5.783 1.00 0.00 H new ATOM 0 HG21 ILE A 101 2.252 -21.538 3.916 1.00 0.00 H new ATOM 0 HG22 ILE A 101 1.138 -21.639 2.532 1.00 0.00 H new ATOM 0 HG23 ILE A 101 0.551 -21.050 4.106 1.00 0.00 H new ATOM 0 HD11 ILE A 101 2.505 -23.333 7.072 1.00 0.00 H new ATOM 0 HD12 ILE A 101 3.111 -23.892 5.494 1.00 0.00 H new ATOM 0 HD13 ILE A 101 2.784 -22.163 5.760 1.00 0.00 H new ATOM 1639 N TYR A 102 -0.305 -23.748 1.195 1.00 0.00 N ATOM 1640 CA TYR A 102 -0.452 -23.384 -0.209 1.00 0.00 C ATOM 1641 C TYR A 102 -1.815 -22.752 -0.469 1.00 0.00 C ATOM 1642 O TYR A 102 -1.907 -21.599 -0.889 1.00 0.00 O ATOM 1643 CB TYR A 102 -0.270 -24.615 -1.098 1.00 0.00 C ATOM 1644 CG TYR A 102 0.074 -24.280 -2.532 1.00 0.00 C ATOM 1645 CD1 TYR A 102 1.372 -23.941 -2.895 1.00 0.00 C ATOM 1646 CD2 TYR A 102 -0.898 -24.305 -3.524 1.00 0.00 C ATOM 1647 CE1 TYR A 102 1.690 -23.634 -4.204 1.00 0.00 C ATOM 1648 CE2 TYR A 102 -0.589 -24.001 -4.836 1.00 0.00 C ATOM 1649 CZ TYR A 102 0.706 -23.665 -5.171 1.00 0.00 C ATOM 1650 OH TYR A 102 1.020 -23.362 -6.476 1.00 0.00 O ATOM 0 H TYR A 102 0.209 -24.614 1.355 1.00 0.00 H new ATOM 0 HA TYR A 102 0.319 -22.652 -0.451 1.00 0.00 H new ATOM 0 HB2 TYR A 102 0.519 -25.241 -0.681 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -1.187 -25.204 -1.081 1.00 0.00 H new ATOM 0 HD1 TYR A 102 2.145 -23.917 -2.141 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -1.913 -24.567 -3.265 1.00 0.00 H new ATOM 0 HE1 TYR A 102 2.703 -23.371 -4.469 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -1.357 -24.026 -5.595 1.00 0.00 H new ATOM 0 HH TYR A 102 0.215 -23.432 -7.031 1.00 0.00 H new ATOM 1660 N GLU A 103 -2.873 -23.516 -0.215 1.00 0.00 N ATOM 1661 CA GLU A 103 -4.233 -23.031 -0.421 1.00 0.00 C ATOM 1662 C GLU A 103 -4.429 -21.667 0.233 1.00 0.00 C ATOM 1663 O GLU A 103 -5.096 -20.792 -0.319 1.00 0.00 O ATOM 1664 CB GLU A 103 -5.245 -24.030 0.143 1.00 0.00 C ATOM 1665 CG GLU A 103 -5.617 -25.136 -0.831 1.00 0.00 C ATOM 1666 CD GLU A 103 -6.709 -26.041 -0.297 1.00 0.00 C ATOM 1667 OE1 GLU A 103 -7.510 -25.574 0.540 1.00 0.00 O ATOM 1668 OE2 GLU A 103 -6.763 -27.217 -0.714 1.00 0.00 O ATOM 0 H GLU A 103 -2.815 -24.473 0.134 1.00 0.00 H new ATOM 0 HA GLU A 103 -4.396 -22.927 -1.494 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -4.835 -24.478 1.048 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -6.149 -23.494 0.433 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -5.946 -24.692 -1.771 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -4.732 -25.733 -1.053 1.00 0.00 H new ATOM 1675 N ASP A 104 -3.844 -21.494 1.414 1.00 0.00 N ATOM 1676 CA ASP A 104 -3.954 -20.237 2.144 1.00 0.00 C ATOM 1677 C ASP A 104 -3.418 -19.076 1.312 1.00 0.00 C ATOM 1678 O ASP A 104 -4.058 -18.030 1.202 1.00 0.00 O ATOM 1679 CB ASP A 104 -3.194 -20.324 3.469 1.00 0.00 C ATOM 1680 CG ASP A 104 -3.541 -21.574 4.254 1.00 0.00 C ATOM 1681 OD1 ASP A 104 -4.454 -22.310 3.825 1.00 0.00 O ATOM 1682 OD2 ASP A 104 -2.899 -21.816 5.297 1.00 0.00 O ATOM 0 H ASP A 104 -3.289 -22.208 1.885 1.00 0.00 H new ATOM 0 HA ASP A 104 -5.009 -20.056 2.350 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -2.122 -20.308 3.272 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -3.420 -19.445 4.073 1.00 0.00 H new ATOM 1687 N SER A 105 -2.239 -19.267 0.728 1.00 0.00 N ATOM 1688 CA SER A 105 -1.615 -18.235 -0.090 1.00 0.00 C ATOM 1689 C SER A 105 -2.557 -17.776 -1.199 1.00 0.00 C ATOM 1690 O SER A 105 -2.679 -16.581 -1.470 1.00 0.00 O ATOM 1691 CB SER A 105 -0.310 -18.755 -0.697 1.00 0.00 C ATOM 1692 OG SER A 105 -0.560 -19.518 -1.865 1.00 0.00 O ATOM 0 H SER A 105 -1.697 -20.128 0.807 1.00 0.00 H new ATOM 0 HA SER A 105 -1.395 -17.382 0.552 1.00 0.00 H new ATOM 0 HB2 SER A 105 0.342 -17.916 -0.940 1.00 0.00 H new ATOM 0 HB3 SER A 105 0.217 -19.367 0.035 1.00 0.00 H new ATOM 0 HG SER A 105 -0.730 -20.451 -1.616 1.00 0.00 H new ATOM 1698 N ILE A 106 -3.222 -18.734 -1.835 1.00 0.00 N ATOM 1699 CA ILE A 106 -4.155 -18.430 -2.913 1.00 0.00 C ATOM 1700 C ILE A 106 -5.378 -17.686 -2.388 1.00 0.00 C ATOM 1701 O ILE A 106 -5.707 -16.598 -2.861 1.00 0.00 O ATOM 1702 CB ILE A 106 -4.617 -19.709 -3.636 1.00 0.00 C ATOM 1703 CG1 ILE A 106 -3.442 -20.358 -4.371 1.00 0.00 C ATOM 1704 CG2 ILE A 106 -5.745 -19.391 -4.606 1.00 0.00 C ATOM 1705 CD1 ILE A 106 -2.683 -21.360 -3.531 1.00 0.00 C ATOM 0 H ILE A 106 -3.132 -19.728 -1.623 1.00 0.00 H new ATOM 0 HA ILE A 106 -3.623 -17.795 -3.621 1.00 0.00 H new ATOM 0 HB ILE A 106 -4.991 -20.414 -2.893 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -3.814 -20.855 -5.267 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -2.755 -19.579 -4.701 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -6.061 -20.305 -5.109 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -6.588 -18.969 -4.058 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -5.396 -18.671 -5.346 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -1.865 -21.780 -4.116 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -2.281 -20.864 -2.648 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -3.356 -22.160 -3.223 1.00 0.00 H new ATOM 1717 N VAL A 107 -6.049 -18.281 -1.406 1.00 0.00 N ATOM 1718 CA VAL A 107 -7.235 -17.673 -0.814 1.00 0.00 C ATOM 1719 C VAL A 107 -6.966 -16.230 -0.403 1.00 0.00 C ATOM 1720 O VAL A 107 -7.652 -15.308 -0.848 1.00 0.00 O ATOM 1721 CB VAL A 107 -7.715 -18.465 0.417 1.00 0.00 C ATOM 1722 CG1 VAL A 107 -8.890 -17.762 1.079 1.00 0.00 C ATOM 1723 CG2 VAL A 107 -8.087 -19.887 0.023 1.00 0.00 C ATOM 0 H VAL A 107 -5.792 -19.182 -1.004 1.00 0.00 H new ATOM 0 HA VAL A 107 -8.014 -17.691 -1.576 1.00 0.00 H new ATOM 0 HB VAL A 107 -6.899 -18.513 1.138 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -9.216 -18.336 1.947 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -8.585 -16.765 1.397 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -9.713 -17.681 0.368 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -8.424 -20.432 0.905 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -8.888 -19.862 -0.716 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -7.216 -20.386 -0.402 1.00 0.00 H new ATOM 1733 N LEU A 108 -5.965 -16.040 0.449 1.00 0.00 N ATOM 1734 CA LEU A 108 -5.604 -14.707 0.920 1.00 0.00 C ATOM 1735 C LEU A 108 -5.782 -13.672 -0.185 1.00 0.00 C ATOM 1736 O LEU A 108 -6.455 -12.659 0.004 1.00 0.00 O ATOM 1737 CB LEU A 108 -4.158 -14.695 1.418 1.00 0.00 C ATOM 1738 CG LEU A 108 -3.892 -15.440 2.726 1.00 0.00 C ATOM 1739 CD1 LEU A 108 -2.397 -15.628 2.940 1.00 0.00 C ATOM 1740 CD2 LEU A 108 -4.511 -14.695 3.900 1.00 0.00 C ATOM 0 H LEU A 108 -5.389 -16.792 0.828 1.00 0.00 H new ATOM 0 HA LEU A 108 -6.268 -14.448 1.745 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -3.524 -15.126 0.643 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -3.847 -13.658 1.544 1.00 0.00 H new ATOM 0 HG LEU A 108 -4.355 -16.424 2.661 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -2.228 -16.160 3.876 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -1.981 -16.205 2.114 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -1.910 -14.654 2.983 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -4.312 -15.240 4.823 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -4.078 -13.697 3.967 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -5.588 -14.614 3.752 1.00 0.00 H new ATOM 1752 N GLN A 109 -5.177 -13.935 -1.339 1.00 0.00 N ATOM 1753 CA GLN A 109 -5.271 -13.026 -2.475 1.00 0.00 C ATOM 1754 C GLN A 109 -6.717 -12.609 -2.721 1.00 0.00 C ATOM 1755 O GLN A 109 -7.043 -11.422 -2.701 1.00 0.00 O ATOM 1756 CB GLN A 109 -4.697 -13.684 -3.731 1.00 0.00 C ATOM 1757 CG GLN A 109 -3.180 -13.782 -3.727 1.00 0.00 C ATOM 1758 CD GLN A 109 -2.656 -14.762 -4.758 1.00 0.00 C ATOM 1759 OE1 GLN A 109 -3.292 -14.999 -5.786 1.00 0.00 O ATOM 1760 NE2 GLN A 109 -1.490 -15.337 -4.490 1.00 0.00 N ATOM 0 H GLN A 109 -4.617 -14.770 -1.512 1.00 0.00 H new ATOM 0 HA GLN A 109 -4.689 -12.134 -2.243 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -5.117 -14.685 -3.831 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -5.014 -13.116 -4.606 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -2.756 -12.797 -3.919 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -2.842 -14.087 -2.737 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -0.997 -15.112 -3.626 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -1.087 -16.004 -5.148 1.00 0.00 H new ATOM 1769 N SER A 110 -7.580 -13.593 -2.952 1.00 0.00 N ATOM 1770 CA SER A 110 -8.991 -13.328 -3.206 1.00 0.00 C ATOM 1771 C SER A 110 -9.559 -12.365 -2.168 1.00 0.00 C ATOM 1772 O SER A 110 -10.449 -11.568 -2.464 1.00 0.00 O ATOM 1773 CB SER A 110 -9.787 -14.634 -3.196 1.00 0.00 C ATOM 1774 OG SER A 110 -10.945 -14.532 -4.006 1.00 0.00 O ATOM 0 H SER A 110 -7.327 -14.581 -2.968 1.00 0.00 H new ATOM 0 HA SER A 110 -9.077 -12.866 -4.190 1.00 0.00 H new ATOM 0 HB2 SER A 110 -9.159 -15.449 -3.555 1.00 0.00 H new ATOM 0 HB3 SER A 110 -10.075 -14.880 -2.174 1.00 0.00 H new ATOM 0 HG SER A 110 -11.435 -15.380 -3.984 1.00 0.00 H new ATOM 1780 N VAL A 111 -9.036 -12.445 -0.948 1.00 0.00 N ATOM 1781 CA VAL A 111 -9.488 -11.581 0.136 1.00 0.00 C ATOM 1782 C VAL A 111 -8.998 -10.151 -0.060 1.00 0.00 C ATOM 1783 O VAL A 111 -9.783 -9.203 -0.027 1.00 0.00 O ATOM 1784 CB VAL A 111 -9.003 -12.095 1.504 1.00 0.00 C ATOM 1785 CG1 VAL A 111 -9.688 -11.340 2.632 1.00 0.00 C ATOM 1786 CG2 VAL A 111 -9.247 -13.592 1.627 1.00 0.00 C ATOM 0 H VAL A 111 -8.299 -13.100 -0.686 1.00 0.00 H new ATOM 0 HA VAL A 111 -10.578 -11.595 0.117 1.00 0.00 H new ATOM 0 HB VAL A 111 -7.930 -11.917 1.580 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -9.332 -11.717 3.591 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -9.457 -10.278 2.552 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -10.766 -11.483 2.563 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -8.898 -13.939 2.600 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -10.313 -13.796 1.530 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -8.704 -14.115 0.840 1.00 0.00 H new ATOM 1796 N PHE A 112 -7.693 -10.001 -0.265 1.00 0.00 N ATOM 1797 CA PHE A 112 -7.096 -8.686 -0.466 1.00 0.00 C ATOM 1798 C PHE A 112 -7.821 -7.924 -1.572 1.00 0.00 C ATOM 1799 O PHE A 112 -8.270 -6.795 -1.372 1.00 0.00 O ATOM 1800 CB PHE A 112 -5.613 -8.824 -0.814 1.00 0.00 C ATOM 1801 CG PHE A 112 -4.972 -7.530 -1.231 1.00 0.00 C ATOM 1802 CD1 PHE A 112 -4.540 -6.618 -0.282 1.00 0.00 C ATOM 1803 CD2 PHE A 112 -4.803 -7.227 -2.572 1.00 0.00 C ATOM 1804 CE1 PHE A 112 -3.951 -5.428 -0.663 1.00 0.00 C ATOM 1805 CE2 PHE A 112 -4.214 -6.038 -2.960 1.00 0.00 C ATOM 1806 CZ PHE A 112 -3.787 -5.138 -2.004 1.00 0.00 C ATOM 0 H PHE A 112 -7.029 -10.775 -0.296 1.00 0.00 H new ATOM 0 HA PHE A 112 -7.193 -8.124 0.463 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -5.081 -9.222 0.050 1.00 0.00 H new ATOM 0 HB3 PHE A 112 -5.503 -9.551 -1.619 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -4.665 -6.840 0.768 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -5.135 -7.928 -3.323 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -3.619 -4.725 0.087 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -4.088 -5.814 -4.009 1.00 0.00 H new ATOM 0 HZ PHE A 112 -3.326 -4.209 -2.304 1.00 0.00 H new ATOM 1816 N LYS A 113 -7.930 -8.548 -2.739 1.00 0.00 N ATOM 1817 CA LYS A 113 -8.600 -7.931 -3.878 1.00 0.00 C ATOM 1818 C LYS A 113 -10.033 -7.547 -3.524 1.00 0.00 C ATOM 1819 O LYS A 113 -10.482 -6.442 -3.825 1.00 0.00 O ATOM 1820 CB LYS A 113 -8.597 -8.884 -5.075 1.00 0.00 C ATOM 1821 CG LYS A 113 -7.212 -9.153 -5.636 1.00 0.00 C ATOM 1822 CD LYS A 113 -7.182 -10.426 -6.466 1.00 0.00 C ATOM 1823 CE LYS A 113 -5.952 -10.482 -7.358 1.00 0.00 C ATOM 1824 NZ LYS A 113 -5.725 -11.848 -7.905 1.00 0.00 N ATOM 0 H LYS A 113 -7.563 -9.482 -2.922 1.00 0.00 H new ATOM 0 HA LYS A 113 -8.054 -7.025 -4.141 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -9.049 -9.830 -4.776 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -9.224 -8.466 -5.863 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -6.898 -8.310 -6.251 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -6.497 -9.235 -4.817 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -7.193 -11.293 -5.805 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -8.081 -10.482 -7.080 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -6.068 -9.776 -8.180 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -5.077 -10.168 -6.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -4.877 -11.844 -8.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -5.589 -12.518 -7.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -6.549 -12.138 -8.469 1.00 0.00 H new ATOM 1838 N SER A 114 -10.746 -8.467 -2.881 1.00 0.00 N ATOM 1839 CA SER A 114 -12.129 -8.225 -2.487 1.00 0.00 C ATOM 1840 C SER A 114 -12.227 -7.017 -1.561 1.00 0.00 C ATOM 1841 O SER A 114 -13.183 -6.246 -1.628 1.00 0.00 O ATOM 1842 CB SER A 114 -12.708 -9.461 -1.796 1.00 0.00 C ATOM 1843 OG SER A 114 -14.120 -9.377 -1.701 1.00 0.00 O ATOM 0 H SER A 114 -10.389 -9.387 -2.622 1.00 0.00 H new ATOM 0 HA SER A 114 -12.707 -8.017 -3.388 1.00 0.00 H new ATOM 0 HB2 SER A 114 -12.430 -10.356 -2.352 1.00 0.00 H new ATOM 0 HB3 SER A 114 -12.278 -9.559 -0.799 1.00 0.00 H new ATOM 0 HG SER A 114 -14.466 -10.179 -1.257 1.00 0.00 H new ATOM 1849 N ALA A 115 -11.230 -6.860 -0.696 1.00 0.00 N ATOM 1850 CA ALA A 115 -11.201 -5.746 0.243 1.00 0.00 C ATOM 1851 C ALA A 115 -11.064 -4.415 -0.489 1.00 0.00 C ATOM 1852 O ALA A 115 -11.852 -3.493 -0.273 1.00 0.00 O ATOM 1853 CB ALA A 115 -10.064 -5.923 1.238 1.00 0.00 C ATOM 0 H ALA A 115 -10.432 -7.491 -0.626 1.00 0.00 H new ATOM 0 HA ALA A 115 -12.146 -5.737 0.787 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -10.055 -5.083 1.933 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -10.206 -6.851 1.792 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -9.115 -5.962 0.703 1.00 0.00 H new ATOM 1859 N ARG A 116 -10.059 -4.320 -1.353 1.00 0.00 N ATOM 1860 CA ARG A 116 -9.819 -3.101 -2.115 1.00 0.00 C ATOM 1861 C ARG A 116 -11.126 -2.533 -2.659 1.00 0.00 C ATOM 1862 O ARG A 116 -11.508 -1.409 -2.333 1.00 0.00 O ATOM 1863 CB ARG A 116 -8.851 -3.377 -3.268 1.00 0.00 C ATOM 1864 CG ARG A 116 -8.519 -2.144 -4.092 1.00 0.00 C ATOM 1865 CD ARG A 116 -7.504 -2.458 -5.180 1.00 0.00 C ATOM 1866 NE ARG A 116 -8.111 -3.157 -6.309 1.00 0.00 N ATOM 1867 CZ ARG A 116 -7.515 -3.307 -7.487 1.00 0.00 C ATOM 1868 NH1 ARG A 116 -6.303 -2.809 -7.689 1.00 0.00 N ATOM 1869 NH2 ARG A 116 -8.132 -3.956 -8.466 1.00 0.00 N ATOM 0 H ARG A 116 -9.398 -5.073 -1.543 1.00 0.00 H new ATOM 0 HA ARG A 116 -9.375 -2.365 -1.445 1.00 0.00 H new ATOM 0 HB2 ARG A 116 -7.928 -3.794 -2.865 1.00 0.00 H new ATOM 0 HB3 ARG A 116 -9.284 -4.135 -3.921 1.00 0.00 H new ATOM 0 HG2 ARG A 116 -9.430 -1.752 -4.545 1.00 0.00 H new ATOM 0 HG3 ARG A 116 -8.126 -1.364 -3.440 1.00 0.00 H new ATOM 0 HD2 ARG A 116 -7.049 -1.531 -5.530 1.00 0.00 H new ATOM 0 HD3 ARG A 116 -6.703 -3.069 -4.763 1.00 0.00 H new ATOM 0 HE ARG A 116 -9.044 -3.552 -6.187 1.00 0.00 H new ATOM 0 HH11 ARG A 116 -5.826 -2.309 -6.939 1.00 0.00 H new ATOM 0 HH12 ARG A 116 -5.848 -2.926 -8.594 1.00 0.00 H new ATOM 0 HH21 ARG A 116 -9.065 -4.340 -8.315 1.00 0.00 H new ATOM 0 HH22 ARG A 116 -7.674 -4.071 -9.370 1.00 0.00 H new