USER MOD reduce.3.24.130724 H: found=0, std=0, add=787, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 787 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 52 SER OG : rot 42:sc= -0.156 USER MOD Set 1.2: A 64 MET CE :methyl 136:sc= -3.04! (180deg=-5.92!) USER MOD Set 2.1: A 21 LYS NZ :NH3+ -132:sc= 0.185 (180deg=0) USER MOD Set 2.2: A 25 ASN : amide:sc= -0.0237 K(o=0.16,f=-2!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot -160:sc= -2.65! USER MOD Single : A 13 ASN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 14 MET CE :methyl -154:sc= -1.02 (180deg=-2.52!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 MET CE :methyl -150:sc= -2.35 (180deg=-3.07!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot -169:sc= -0.316 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.0173 X(o=-0.017,f=-0.062) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot -159:sc= 0.974 USER MOD Single : A 50 CYS SG : rot 5:sc= -5.7! USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0968) USER MOD Single : A 59 LYS NZ :NH3+ -160:sc= -0.686 (180deg=-2.09!) USER MOD Single : A 60 MET CE :methyl 160:sc= -6.46! (180deg=-7.33!) USER MOD Single : A 61 ASN : amide:sc= -1.56 K(o=-1.6,f=-3.5!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0632) USER MOD Single : A 71 ASN : amide:sc= -1.08 K(o=-1.1,f=-3.1!) USER MOD Single : A 76 SER OG : rot 167:sc= 1.36 USER MOD Single : A 81 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 166:sc= -0.0968 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0.00226 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= -0.0617 K(o=-0.062,f=-1.4) USER MOD Single : A 97 HIS : no HE2:sc= -3.01! C(o=-3!,f=-5.7!) USER MOD Single : A 100 SER OG : rot 145:sc= 1.83 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 78 N LYS A 9 2.398 13.963 -7.083 1.00 0.00 N ATOM 79 CA LYS A 9 1.533 12.810 -6.906 1.00 0.00 C ATOM 80 C LYS A 9 2.353 11.530 -7.085 1.00 0.00 C ATOM 81 O LYS A 9 2.615 11.109 -8.210 1.00 0.00 O ATOM 82 CB LYS A 9 0.322 12.900 -7.837 1.00 0.00 C ATOM 83 CG LYS A 9 -0.450 14.201 -7.608 1.00 0.00 C ATOM 84 CD LYS A 9 -1.959 13.949 -7.608 1.00 0.00 C ATOM 85 CE LYS A 9 -2.593 14.417 -8.920 1.00 0.00 C ATOM 86 NZ LYS A 9 -3.668 15.399 -8.655 1.00 0.00 N ATOM 0 HA LYS A 9 1.127 12.790 -5.895 1.00 0.00 H new ATOM 0 HB2 LYS A 9 0.652 12.846 -8.875 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -0.336 12.048 -7.667 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -0.151 14.643 -6.657 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -0.198 14.920 -8.387 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -2.154 12.886 -7.465 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -2.419 14.473 -6.770 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -1.832 14.865 -9.559 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -2.999 13.562 -9.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -4.087 15.706 -9.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -4.402 14.959 -8.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -3.271 16.223 -8.159 1.00 0.00 H new ATOM 100 N PRO A 10 2.744 10.932 -5.928 1.00 0.00 N ATOM 101 CA PRO A 10 3.529 9.709 -5.946 1.00 0.00 C ATOM 102 C PRO A 10 2.659 8.505 -6.315 1.00 0.00 C ATOM 103 O PRO A 10 3.067 7.661 -7.111 1.00 0.00 O ATOM 104 CB PRO A 10 4.128 9.605 -4.553 1.00 0.00 C ATOM 105 CG PRO A 10 3.290 10.515 -3.670 1.00 0.00 C ATOM 106 CD PRO A 10 2.452 11.402 -4.577 1.00 0.00 C ATOM 0 HA PRO A 10 4.314 9.724 -6.702 1.00 0.00 H new ATOM 0 HB2 PRO A 10 4.101 8.577 -4.192 1.00 0.00 H new ATOM 0 HB3 PRO A 10 5.173 9.915 -4.553 1.00 0.00 H new ATOM 0 HG2 PRO A 10 2.649 9.926 -3.014 1.00 0.00 H new ATOM 0 HG3 PRO A 10 3.931 11.121 -3.029 1.00 0.00 H new ATOM 0 HD2 PRO A 10 1.390 11.312 -4.347 1.00 0.00 H new ATOM 0 HD3 PRO A 10 2.716 12.453 -4.457 1.00 0.00 H new ATOM 114 N LEU A 11 1.477 8.465 -5.718 1.00 0.00 N ATOM 115 CA LEU A 11 0.547 7.378 -5.974 1.00 0.00 C ATOM 116 C LEU A 11 -0.375 7.764 -7.132 1.00 0.00 C ATOM 117 O LEU A 11 -1.322 7.043 -7.443 1.00 0.00 O ATOM 118 CB LEU A 11 -0.200 7.000 -4.693 1.00 0.00 C ATOM 119 CG LEU A 11 0.664 6.487 -3.539 1.00 0.00 C ATOM 120 CD1 LEU A 11 1.671 5.446 -4.030 1.00 0.00 C ATOM 121 CD2 LEU A 11 1.346 7.645 -2.808 1.00 0.00 C ATOM 0 H LEU A 11 1.142 9.167 -5.058 1.00 0.00 H new ATOM 0 HA LEU A 11 1.084 6.480 -6.279 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -0.752 7.874 -4.347 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -0.936 6.234 -4.938 1.00 0.00 H new ATOM 0 HG LEU A 11 0.013 5.991 -2.819 1.00 0.00 H new ATOM 0 HD11 LEU A 11 2.273 5.098 -3.191 1.00 0.00 H new ATOM 0 HD12 LEU A 11 1.138 4.603 -4.469 1.00 0.00 H new ATOM 0 HD13 LEU A 11 2.321 5.895 -4.781 1.00 0.00 H new ATOM 0 HD21 LEU A 11 1.954 7.253 -1.993 1.00 0.00 H new ATOM 0 HD22 LEU A 11 1.982 8.191 -3.505 1.00 0.00 H new ATOM 0 HD23 LEU A 11 0.589 8.317 -2.405 1.00 0.00 H new ATOM 133 N SER A 12 -0.066 8.900 -7.739 1.00 0.00 N ATOM 134 CA SER A 12 -0.855 9.391 -8.857 1.00 0.00 C ATOM 135 C SER A 12 -1.091 8.264 -9.865 1.00 0.00 C ATOM 136 O SER A 12 -0.211 7.948 -10.665 1.00 0.00 O ATOM 137 CB SER A 12 -0.169 10.577 -9.537 1.00 0.00 C ATOM 138 OG SER A 12 -1.052 11.683 -9.700 1.00 0.00 O ATOM 0 H SER A 12 0.720 9.495 -7.478 1.00 0.00 H new ATOM 0 HA SER A 12 -1.816 9.734 -8.473 1.00 0.00 H new ATOM 0 HB2 SER A 12 0.693 10.885 -8.945 1.00 0.00 H new ATOM 0 HB3 SER A 12 0.208 10.268 -10.512 1.00 0.00 H new ATOM 0 HG SER A 12 -0.704 12.280 -10.395 1.00 0.00 H new ATOM 144 N ASN A 13 -2.282 7.690 -9.794 1.00 0.00 N ATOM 145 CA ASN A 13 -2.645 6.605 -10.690 1.00 0.00 C ATOM 146 C ASN A 13 -2.084 5.290 -10.146 1.00 0.00 C ATOM 147 O ASN A 13 -1.369 4.578 -10.848 1.00 0.00 O ATOM 148 CB ASN A 13 -2.060 6.826 -12.087 1.00 0.00 C ATOM 149 CG ASN A 13 -2.892 6.107 -13.150 1.00 0.00 C ATOM 150 OD1 ASN A 13 -3.342 4.987 -12.971 1.00 0.00 O ATOM 151 ND2 ASN A 13 -3.070 6.810 -14.265 1.00 0.00 N ATOM 0 H ASN A 13 -3.009 7.956 -9.130 1.00 0.00 H new ATOM 0 HA ASN A 13 -3.733 6.571 -10.755 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -2.027 7.893 -12.307 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -1.033 6.462 -12.117 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -3.611 6.416 -15.035 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -2.666 7.743 -14.350 1.00 0.00 H new ATOM 158 N MET A 14 -2.431 5.007 -8.899 1.00 0.00 N ATOM 159 CA MET A 14 -1.972 3.790 -8.251 1.00 0.00 C ATOM 160 C MET A 14 -2.936 3.361 -7.144 1.00 0.00 C ATOM 161 O MET A 14 -3.324 4.172 -6.304 1.00 0.00 O ATOM 162 CB MET A 14 -0.581 4.022 -7.657 1.00 0.00 C ATOM 163 CG MET A 14 0.513 3.674 -8.668 1.00 0.00 C ATOM 164 SD MET A 14 1.405 2.225 -8.129 1.00 0.00 S ATOM 165 CE MET A 14 1.850 2.733 -6.476 1.00 0.00 C ATOM 0 H MET A 14 -3.025 5.600 -8.320 1.00 0.00 H new ATOM 0 HA MET A 14 -1.930 2.996 -8.997 1.00 0.00 H new ATOM 0 HB2 MET A 14 -0.481 5.064 -7.352 1.00 0.00 H new ATOM 0 HB3 MET A 14 -0.459 3.414 -6.760 1.00 0.00 H new ATOM 0 HG2 MET A 14 0.070 3.495 -9.648 1.00 0.00 H new ATOM 0 HG3 MET A 14 1.199 4.514 -8.777 1.00 0.00 H new ATOM 0 HE1 MET A 14 2.752 2.206 -6.164 1.00 0.00 H new ATOM 0 HE2 MET A 14 2.034 3.807 -6.463 1.00 0.00 H new ATOM 0 HE3 MET A 14 1.036 2.496 -5.791 1.00 0.00 H new ATOM 175 N LYS A 15 -3.295 2.086 -7.178 1.00 0.00 N ATOM 176 CA LYS A 15 -4.207 1.538 -6.187 1.00 0.00 C ATOM 177 C LYS A 15 -3.404 1.023 -4.991 1.00 0.00 C ATOM 178 O LYS A 15 -2.468 0.242 -5.158 1.00 0.00 O ATOM 179 CB LYS A 15 -5.114 0.482 -6.820 1.00 0.00 C ATOM 180 CG LYS A 15 -6.378 1.121 -7.401 1.00 0.00 C ATOM 181 CD LYS A 15 -6.847 0.370 -8.649 1.00 0.00 C ATOM 182 CE LYS A 15 -8.355 0.534 -8.852 1.00 0.00 C ATOM 183 NZ LYS A 15 -8.730 0.201 -10.244 1.00 0.00 N ATOM 0 H LYS A 15 -2.971 1.416 -7.876 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.874 2.314 -5.812 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -4.573 -0.043 -7.607 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -5.389 -0.262 -6.072 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -7.169 1.118 -6.651 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.181 2.163 -7.652 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -6.316 0.744 -9.524 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -6.602 -0.688 -8.555 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -8.894 -0.113 -8.159 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -8.649 1.559 -8.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -9.756 0.318 -10.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -8.230 0.835 -10.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -8.467 -0.784 -10.448 1.00 0.00 H new ATOM 197 N ILE A 16 -3.799 1.481 -3.812 1.00 0.00 N ATOM 198 CA ILE A 16 -3.127 1.075 -2.589 1.00 0.00 C ATOM 199 C ILE A 16 -4.105 0.291 -1.712 1.00 0.00 C ATOM 200 O ILE A 16 -5.264 0.677 -1.569 1.00 0.00 O ATOM 201 CB ILE A 16 -2.511 2.288 -1.889 1.00 0.00 C ATOM 202 CG1 ILE A 16 -1.510 2.999 -2.803 1.00 0.00 C ATOM 203 CG2 ILE A 16 -1.883 1.889 -0.552 1.00 0.00 C ATOM 204 CD1 ILE A 16 -2.218 3.637 -4.000 1.00 0.00 C ATOM 0 H ILE A 16 -4.575 2.129 -3.678 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.295 0.408 -2.814 1.00 0.00 H new ATOM 0 HB ILE A 16 -3.309 2.998 -1.671 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -0.978 3.766 -2.239 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -0.764 2.287 -3.155 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.452 2.769 -0.075 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -2.648 1.463 0.097 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.100 1.150 -0.724 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -1.484 4.136 -4.633 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -2.728 2.864 -4.575 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.946 4.366 -3.646 1.00 0.00 H new ATOM 216 N LEU A 17 -3.602 -0.798 -1.148 1.00 0.00 N ATOM 217 CA LEU A 17 -4.416 -1.640 -0.289 1.00 0.00 C ATOM 218 C LEU A 17 -3.846 -1.616 1.131 1.00 0.00 C ATOM 219 O LEU A 17 -2.645 -1.423 1.318 1.00 0.00 O ATOM 220 CB LEU A 17 -4.538 -3.047 -0.878 1.00 0.00 C ATOM 221 CG LEU A 17 -5.357 -4.048 -0.061 1.00 0.00 C ATOM 222 CD1 LEU A 17 -6.734 -4.273 -0.689 1.00 0.00 C ATOM 223 CD2 LEU A 17 -4.591 -5.359 0.127 1.00 0.00 C ATOM 0 H LEU A 17 -2.641 -1.116 -1.270 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.434 -1.253 -0.231 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -4.984 -2.967 -1.869 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.535 -3.452 -1.011 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.521 -3.626 0.931 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -7.295 -4.989 -0.088 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -7.275 -3.328 -0.727 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -6.614 -4.663 -1.700 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -5.195 -6.053 0.711 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.375 -5.797 -0.847 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -3.656 -5.162 0.652 1.00 0.00 H new ATOM 235 N THR A 18 -4.734 -1.814 2.094 1.00 0.00 N ATOM 236 CA THR A 18 -4.334 -1.817 3.491 1.00 0.00 C ATOM 237 C THR A 18 -4.726 -3.138 4.155 1.00 0.00 C ATOM 238 O THR A 18 -5.800 -3.675 3.889 1.00 0.00 O ATOM 239 CB THR A 18 -4.955 -0.591 4.163 1.00 0.00 C ATOM 240 OG1 THR A 18 -6.345 -0.701 3.870 1.00 0.00 O ATOM 241 CG2 THR A 18 -4.536 0.720 3.493 1.00 0.00 C ATOM 0 H THR A 18 -5.729 -1.973 1.935 1.00 0.00 H new ATOM 0 HA THR A 18 -3.251 -1.747 3.593 1.00 0.00 H new ATOM 0 HB THR A 18 -4.668 -0.569 5.214 1.00 0.00 H new ATOM 0 HG1 THR A 18 -6.824 0.054 4.270 1.00 0.00 H new ATOM 0 HG21 THR A 18 -5.005 1.558 4.009 1.00 0.00 H new ATOM 0 HG22 THR A 18 -3.452 0.824 3.542 1.00 0.00 H new ATOM 0 HG23 THR A 18 -4.853 0.713 2.450 1.00 0.00 H new ATOM 249 N LEU A 19 -3.835 -3.623 5.006 1.00 0.00 N ATOM 250 CA LEU A 19 -4.074 -4.871 5.711 1.00 0.00 C ATOM 251 C LEU A 19 -3.838 -4.661 7.208 1.00 0.00 C ATOM 252 O LEU A 19 -2.821 -4.095 7.606 1.00 0.00 O ATOM 253 CB LEU A 19 -3.232 -5.997 5.108 1.00 0.00 C ATOM 254 CG LEU A 19 -3.953 -7.327 4.881 1.00 0.00 C ATOM 255 CD1 LEU A 19 -3.421 -8.034 3.633 1.00 0.00 C ATOM 256 CD2 LEU A 19 -3.869 -8.215 6.124 1.00 0.00 C ATOM 0 H LEU A 19 -2.945 -3.174 5.224 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.112 -5.182 5.593 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.834 -5.655 4.153 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.379 -6.176 5.762 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.008 -7.118 4.706 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.951 -8.977 3.495 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.577 -7.399 2.761 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.356 -8.231 3.753 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.389 -9.154 5.936 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.824 -8.419 6.355 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.334 -7.705 6.968 1.00 0.00 H new ATOM 268 N GLY A 20 -4.795 -5.127 7.997 1.00 0.00 N ATOM 269 CA GLY A 20 -4.704 -4.997 9.441 1.00 0.00 C ATOM 270 C GLY A 20 -5.082 -3.584 9.889 1.00 0.00 C ATOM 271 O GLY A 20 -5.648 -2.814 9.114 1.00 0.00 O ATOM 0 H GLY A 20 -5.637 -5.595 7.663 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -5.364 -5.722 9.917 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -3.690 -5.227 9.767 1.00 0.00 H new ATOM 275 N LYS A 21 -4.756 -3.287 11.138 1.00 0.00 N ATOM 276 CA LYS A 21 -5.054 -1.980 11.699 1.00 0.00 C ATOM 277 C LYS A 21 -3.794 -1.113 11.661 1.00 0.00 C ATOM 278 O LYS A 21 -2.716 -1.562 12.046 1.00 0.00 O ATOM 279 CB LYS A 21 -5.661 -2.122 13.096 1.00 0.00 C ATOM 280 CG LYS A 21 -6.038 -0.756 13.672 1.00 0.00 C ATOM 281 CD LYS A 21 -7.380 -0.277 13.114 1.00 0.00 C ATOM 282 CE LYS A 21 -7.909 0.919 13.908 1.00 0.00 C ATOM 283 NZ LYS A 21 -8.982 1.606 13.156 1.00 0.00 N ATOM 0 H LYS A 21 -4.288 -3.929 11.778 1.00 0.00 H new ATOM 0 HA LYS A 21 -5.809 -1.472 11.099 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -6.545 -2.757 13.049 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -4.949 -2.615 13.757 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -6.093 -0.818 14.759 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -5.261 -0.030 13.434 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.264 0.000 12.066 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -8.104 -1.091 13.150 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -8.290 0.583 14.872 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -7.096 1.616 14.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -8.802 2.630 13.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -9.001 1.253 12.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -9.899 1.418 13.609 1.00 0.00 H new ATOM 297 N LEU A 22 -3.972 0.114 11.193 1.00 0.00 N ATOM 298 CA LEU A 22 -2.863 1.047 11.100 1.00 0.00 C ATOM 299 C LEU A 22 -3.085 2.196 12.086 1.00 0.00 C ATOM 300 O LEU A 22 -4.185 2.367 12.608 1.00 0.00 O ATOM 301 CB LEU A 22 -2.670 1.507 9.653 1.00 0.00 C ATOM 302 CG LEU A 22 -2.476 0.398 8.617 1.00 0.00 C ATOM 303 CD1 LEU A 22 -3.027 0.819 7.253 1.00 0.00 C ATOM 304 CD2 LEU A 22 -1.007 -0.025 8.536 1.00 0.00 C ATOM 0 H LEU A 22 -4.868 0.483 10.874 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.930 0.559 11.383 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.537 2.101 9.363 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.804 2.168 9.615 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.046 -0.474 8.939 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.876 0.013 6.535 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.092 1.032 7.341 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.505 1.712 6.910 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.896 -0.814 7.793 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.397 0.832 8.249 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.680 -0.394 9.508 1.00 0.00 H new ATOM 316 N SER A 23 -2.022 2.954 12.310 1.00 0.00 N ATOM 317 CA SER A 23 -2.086 4.082 13.224 1.00 0.00 C ATOM 318 C SER A 23 -3.300 4.953 12.896 1.00 0.00 C ATOM 319 O SER A 23 -4.081 5.296 13.783 1.00 0.00 O ATOM 320 CB SER A 23 -0.804 4.914 13.163 1.00 0.00 C ATOM 321 OG SER A 23 0.044 4.671 14.283 1.00 0.00 O ATOM 0 H SER A 23 -1.111 2.809 11.874 1.00 0.00 H new ATOM 0 HA SER A 23 -2.188 3.695 14.238 1.00 0.00 H new ATOM 0 HB2 SER A 23 -0.266 4.683 12.244 1.00 0.00 H new ATOM 0 HB3 SER A 23 -1.060 5.973 13.125 1.00 0.00 H new ATOM 0 HG SER A 23 0.852 5.219 14.206 1.00 0.00 H new ATOM 327 N ARG A 24 -3.422 5.285 11.619 1.00 0.00 N ATOM 328 CA ARG A 24 -4.528 6.110 11.162 1.00 0.00 C ATOM 329 C ARG A 24 -5.742 5.237 10.837 1.00 0.00 C ATOM 330 O ARG A 24 -5.668 4.011 10.914 1.00 0.00 O ATOM 331 CB ARG A 24 -4.139 6.914 9.921 1.00 0.00 C ATOM 332 CG ARG A 24 -3.197 8.063 10.284 1.00 0.00 C ATOM 333 CD ARG A 24 -3.705 9.390 9.716 1.00 0.00 C ATOM 334 NE ARG A 24 -2.657 10.428 9.839 1.00 0.00 N ATOM 335 CZ ARG A 24 -1.639 10.574 8.979 1.00 0.00 C ATOM 336 NH1 ARG A 24 -1.527 9.750 7.928 1.00 0.00 N ATOM 337 NH2 ARG A 24 -0.735 11.544 9.170 1.00 0.00 N ATOM 0 H ARG A 24 -2.773 4.998 10.886 1.00 0.00 H new ATOM 0 HA ARG A 24 -4.779 6.803 11.965 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -3.656 6.259 9.196 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -5.036 7.311 9.445 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -3.109 8.137 11.368 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -2.199 7.856 9.897 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -3.983 9.264 8.670 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -4.603 9.703 10.249 1.00 0.00 H new ATOM 0 HE ARG A 24 -2.713 11.073 10.628 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -2.216 9.012 7.783 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -0.753 9.861 7.273 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -0.821 12.171 9.970 1.00 0.00 H new ATOM 0 HH22 ARG A 24 0.040 11.655 8.516 1.00 0.00 H new ATOM 351 N ASN A 25 -6.831 5.902 10.480 1.00 0.00 N ATOM 352 CA ASN A 25 -8.058 5.202 10.143 1.00 0.00 C ATOM 353 C ASN A 25 -8.118 4.987 8.629 1.00 0.00 C ATOM 354 O ASN A 25 -7.509 5.737 7.867 1.00 0.00 O ATOM 355 CB ASN A 25 -9.287 6.016 10.553 1.00 0.00 C ATOM 356 CG ASN A 25 -9.741 5.649 11.967 1.00 0.00 C ATOM 357 OD1 ASN A 25 -9.542 4.543 12.443 1.00 0.00 O ATOM 358 ND2 ASN A 25 -10.361 6.634 12.610 1.00 0.00 N ATOM 0 H ASN A 25 -6.889 6.918 10.417 1.00 0.00 H new ATOM 0 HA ASN A 25 -8.061 4.251 10.676 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -9.055 7.080 10.506 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -10.099 5.836 9.848 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -10.703 6.487 13.560 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -10.495 7.536 12.153 1.00 0.00 H new ATOM 365 N LYS A 26 -8.857 3.959 8.239 1.00 0.00 N ATOM 366 CA LYS A 26 -9.004 3.635 6.830 1.00 0.00 C ATOM 367 C LYS A 26 -9.218 4.925 6.034 1.00 0.00 C ATOM 368 O LYS A 26 -8.419 5.259 5.161 1.00 0.00 O ATOM 369 CB LYS A 26 -10.112 2.599 6.631 1.00 0.00 C ATOM 370 CG LYS A 26 -10.015 1.952 5.248 1.00 0.00 C ATOM 371 CD LYS A 26 -11.404 1.604 4.707 1.00 0.00 C ATOM 372 CE LYS A 26 -12.171 2.868 4.315 1.00 0.00 C ATOM 373 NZ LYS A 26 -12.791 2.706 2.981 1.00 0.00 N ATOM 0 H LYS A 26 -9.360 3.340 8.874 1.00 0.00 H new ATOM 0 HA LYS A 26 -8.094 3.172 6.449 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -10.040 1.831 7.401 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -11.085 3.076 6.746 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -9.512 2.631 4.559 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -9.407 1.049 5.307 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -11.307 0.949 3.841 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -11.965 1.053 5.462 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -12.941 3.078 5.057 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -11.495 3.723 4.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -13.308 3.573 2.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -12.050 2.528 2.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -13.452 1.903 3.000 1.00 0.00 H new ATOM 387 N ASP A 27 -10.300 5.614 6.366 1.00 0.00 N ATOM 388 CA ASP A 27 -10.629 6.859 5.693 1.00 0.00 C ATOM 389 C ASP A 27 -9.379 7.738 5.617 1.00 0.00 C ATOM 390 O ASP A 27 -8.879 8.020 4.529 1.00 0.00 O ATOM 391 CB ASP A 27 -11.704 7.632 6.460 1.00 0.00 C ATOM 392 CG ASP A 27 -12.963 6.829 6.795 1.00 0.00 C ATOM 393 OD1 ASP A 27 -13.451 6.131 5.880 1.00 0.00 O ATOM 394 OD2 ASP A 27 -13.408 6.931 7.958 1.00 0.00 O ATOM 0 H ASP A 27 -10.960 5.334 7.092 1.00 0.00 H new ATOM 0 HA ASP A 27 -11.000 6.616 4.697 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -11.270 8.003 7.389 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -11.993 8.503 5.872 1.00 0.00 H new ATOM 399 N GLU A 28 -8.910 8.147 6.786 1.00 0.00 N ATOM 400 CA GLU A 28 -7.728 8.988 6.866 1.00 0.00 C ATOM 401 C GLU A 28 -6.690 8.544 5.833 1.00 0.00 C ATOM 402 O GLU A 28 -6.026 9.376 5.217 1.00 0.00 O ATOM 403 CB GLU A 28 -7.138 8.974 8.277 1.00 0.00 C ATOM 404 CG GLU A 28 -8.076 9.662 9.271 1.00 0.00 C ATOM 405 CD GLU A 28 -7.295 10.565 10.228 1.00 0.00 C ATOM 406 OE1 GLU A 28 -6.977 11.698 9.807 1.00 0.00 O ATOM 407 OE2 GLU A 28 -7.034 10.101 11.359 1.00 0.00 O ATOM 0 H GLU A 28 -9.327 7.912 7.686 1.00 0.00 H new ATOM 0 HA GLU A 28 -8.021 10.014 6.641 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.961 7.945 8.591 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.171 9.477 8.276 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -8.815 10.253 8.730 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.623 8.910 9.840 1.00 0.00 H new ATOM 414 N VAL A 29 -6.582 7.233 5.676 1.00 0.00 N ATOM 415 CA VAL A 29 -5.636 6.668 4.729 1.00 0.00 C ATOM 416 C VAL A 29 -6.196 6.805 3.312 1.00 0.00 C ATOM 417 O VAL A 29 -5.542 7.366 2.434 1.00 0.00 O ATOM 418 CB VAL A 29 -5.317 5.220 5.108 1.00 0.00 C ATOM 419 CG1 VAL A 29 -4.453 4.551 4.038 1.00 0.00 C ATOM 420 CG2 VAL A 29 -4.644 5.148 6.481 1.00 0.00 C ATOM 0 H VAL A 29 -7.134 6.546 6.189 1.00 0.00 H new ATOM 0 HA VAL A 29 -4.693 7.213 4.760 1.00 0.00 H new ATOM 0 HB VAL A 29 -6.259 4.674 5.168 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -4.241 3.523 4.332 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.985 4.554 3.087 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -3.517 5.099 3.932 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -4.428 4.108 6.726 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -3.714 5.717 6.461 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -5.310 5.568 7.235 1.00 0.00 H new ATOM 430 N LYS A 30 -7.401 6.284 3.133 1.00 0.00 N ATOM 431 CA LYS A 30 -8.056 6.341 1.838 1.00 0.00 C ATOM 432 C LYS A 30 -7.942 7.760 1.276 1.00 0.00 C ATOM 433 O LYS A 30 -7.922 7.950 0.061 1.00 0.00 O ATOM 434 CB LYS A 30 -9.496 5.835 1.943 1.00 0.00 C ATOM 435 CG LYS A 30 -10.267 6.102 0.648 1.00 0.00 C ATOM 436 CD LYS A 30 -11.777 6.023 0.883 1.00 0.00 C ATOM 437 CE LYS A 30 -12.513 5.646 -0.404 1.00 0.00 C ATOM 438 NZ LYS A 30 -13.347 6.774 -0.875 1.00 0.00 N ATOM 0 H LYS A 30 -7.941 5.820 3.864 1.00 0.00 H new ATOM 0 HA LYS A 30 -7.560 5.676 1.131 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -9.495 4.766 2.156 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -9.998 6.326 2.777 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -10.006 7.087 0.262 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -9.975 5.375 -0.110 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -11.990 5.286 1.657 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -12.143 6.983 1.247 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -11.793 5.372 -1.175 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -13.140 4.772 -0.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -13.839 6.500 -1.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -14.047 7.017 -0.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -12.742 7.599 -1.062 1.00 0.00 H new ATOM 452 N ALA A 31 -7.871 8.719 2.187 1.00 0.00 N ATOM 453 CA ALA A 31 -7.760 10.115 1.798 1.00 0.00 C ATOM 454 C ALA A 31 -6.344 10.385 1.285 1.00 0.00 C ATOM 455 O ALA A 31 -6.168 10.924 0.194 1.00 0.00 O ATOM 456 CB ALA A 31 -8.132 11.007 2.984 1.00 0.00 C ATOM 0 H ALA A 31 -7.888 8.557 3.194 1.00 0.00 H new ATOM 0 HA ALA A 31 -8.453 10.345 0.989 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.049 12.054 2.692 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -9.157 10.796 3.291 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -7.456 10.807 3.816 1.00 0.00 H new ATOM 462 N MET A 32 -5.371 9.999 2.098 1.00 0.00 N ATOM 463 CA MET A 32 -3.976 10.194 1.741 1.00 0.00 C ATOM 464 C MET A 32 -3.661 9.548 0.390 1.00 0.00 C ATOM 465 O MET A 32 -3.153 10.208 -0.515 1.00 0.00 O ATOM 466 CB MET A 32 -3.082 9.581 2.821 1.00 0.00 C ATOM 467 CG MET A 32 -2.384 10.671 3.637 1.00 0.00 C ATOM 468 SD MET A 32 -1.170 11.505 2.629 1.00 0.00 S ATOM 469 CE MET A 32 0.208 11.533 3.764 1.00 0.00 C ATOM 0 H MET A 32 -5.521 9.552 3.003 1.00 0.00 H new ATOM 0 HA MET A 32 -3.786 11.265 1.664 1.00 0.00 H new ATOM 0 HB2 MET A 32 -3.681 8.954 3.482 1.00 0.00 H new ATOM 0 HB3 MET A 32 -2.337 8.935 2.358 1.00 0.00 H new ATOM 0 HG2 MET A 32 -3.118 11.388 4.004 1.00 0.00 H new ATOM 0 HG3 MET A 32 -1.903 10.231 4.511 1.00 0.00 H new ATOM 0 HE1 MET A 32 0.823 12.411 3.568 1.00 0.00 H new ATOM 0 HE2 MET A 32 -0.164 11.572 4.788 1.00 0.00 H new ATOM 0 HE3 MET A 32 0.808 10.633 3.630 1.00 0.00 H new ATOM 479 N ILE A 33 -3.977 8.264 0.296 1.00 0.00 N ATOM 480 CA ILE A 33 -3.734 7.522 -0.929 1.00 0.00 C ATOM 481 C ILE A 33 -4.423 8.231 -2.096 1.00 0.00 C ATOM 482 O ILE A 33 -4.005 8.095 -3.245 1.00 0.00 O ATOM 483 CB ILE A 33 -4.155 6.060 -0.762 1.00 0.00 C ATOM 484 CG1 ILE A 33 -3.409 5.404 0.401 1.00 0.00 C ATOM 485 CG2 ILE A 33 -3.975 5.285 -2.069 1.00 0.00 C ATOM 486 CD1 ILE A 33 -4.201 4.222 0.964 1.00 0.00 C ATOM 0 H ILE A 33 -4.399 7.719 1.048 1.00 0.00 H new ATOM 0 HA ILE A 33 -2.668 7.499 -1.155 1.00 0.00 H new ATOM 0 HB ILE A 33 -5.217 6.036 -0.517 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -2.430 5.063 0.064 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -3.237 6.139 1.188 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -4.281 4.249 -1.923 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.588 5.738 -2.848 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.927 5.315 -2.368 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -3.648 3.774 1.790 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -5.169 4.571 1.323 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -4.350 3.478 0.181 1.00 0.00 H new ATOM 498 N GLU A 34 -5.469 8.973 -1.761 1.00 0.00 N ATOM 499 CA GLU A 34 -6.221 9.704 -2.767 1.00 0.00 C ATOM 500 C GLU A 34 -5.548 11.046 -3.061 1.00 0.00 C ATOM 501 O GLU A 34 -5.155 11.312 -4.196 1.00 0.00 O ATOM 502 CB GLU A 34 -7.673 9.903 -2.328 1.00 0.00 C ATOM 503 CG GLU A 34 -8.550 8.737 -2.790 1.00 0.00 C ATOM 504 CD GLU A 34 -9.995 9.191 -3.008 1.00 0.00 C ATOM 505 OE1 GLU A 34 -10.174 10.170 -3.764 1.00 0.00 O ATOM 506 OE2 GLU A 34 -10.887 8.549 -2.413 1.00 0.00 O ATOM 0 H GLU A 34 -5.813 9.084 -0.807 1.00 0.00 H new ATOM 0 HA GLU A 34 -6.231 9.116 -3.685 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -7.720 9.990 -1.243 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -8.056 10.837 -2.740 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -8.152 8.322 -3.716 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -8.523 7.940 -2.047 1.00 0.00 H new ATOM 513 N LYS A 35 -5.435 11.856 -2.019 1.00 0.00 N ATOM 514 CA LYS A 35 -4.816 13.164 -2.151 1.00 0.00 C ATOM 515 C LYS A 35 -3.486 13.022 -2.895 1.00 0.00 C ATOM 516 O LYS A 35 -3.223 13.752 -3.849 1.00 0.00 O ATOM 517 CB LYS A 35 -4.686 13.837 -0.783 1.00 0.00 C ATOM 518 CG LYS A 35 -3.611 14.926 -0.807 1.00 0.00 C ATOM 519 CD LYS A 35 -2.285 14.399 -0.256 1.00 0.00 C ATOM 520 CE LYS A 35 -2.151 14.704 1.237 1.00 0.00 C ATOM 521 NZ LYS A 35 -1.424 15.977 1.442 1.00 0.00 N ATOM 0 H LYS A 35 -5.762 11.632 -1.079 1.00 0.00 H new ATOM 0 HA LYS A 35 -5.446 13.824 -2.747 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -5.643 14.272 -0.496 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -4.436 13.091 -0.029 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.470 15.280 -1.828 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -3.941 15.781 -0.216 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -2.222 13.323 -0.418 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -1.456 14.852 -0.799 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -3.140 14.765 1.692 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -1.621 13.891 1.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -1.342 16.170 2.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -0.474 15.905 1.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -1.945 16.752 0.984 1.00 0.00 H new ATOM 535 N LEU A 36 -2.683 12.076 -2.430 1.00 0.00 N ATOM 536 CA LEU A 36 -1.388 11.828 -3.039 1.00 0.00 C ATOM 537 C LEU A 36 -1.558 11.692 -4.553 1.00 0.00 C ATOM 538 O LEU A 36 -0.767 12.236 -5.322 1.00 0.00 O ATOM 539 CB LEU A 36 -0.710 10.622 -2.385 1.00 0.00 C ATOM 540 CG LEU A 36 -0.005 10.889 -1.054 1.00 0.00 C ATOM 541 CD1 LEU A 36 0.047 9.622 -0.197 1.00 0.00 C ATOM 542 CD2 LEU A 36 1.386 11.486 -1.280 1.00 0.00 C ATOM 0 H LEU A 36 -2.905 11.472 -1.638 1.00 0.00 H new ATOM 0 HA LEU A 36 -0.719 12.672 -2.868 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.462 9.849 -2.226 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.020 10.217 -3.085 1.00 0.00 H new ATOM 0 HG LEU A 36 -0.586 11.627 -0.502 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.553 9.839 0.744 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.967 9.279 0.008 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.592 8.844 -0.731 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.865 11.666 -0.318 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.990 10.790 -1.862 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.294 12.427 -1.822 1.00 0.00 H new ATOM 554 N GLY A 37 -2.596 10.962 -4.936 1.00 0.00 N ATOM 555 CA GLY A 37 -2.880 10.747 -6.345 1.00 0.00 C ATOM 556 C GLY A 37 -3.316 9.303 -6.602 1.00 0.00 C ATOM 557 O GLY A 37 -3.780 8.976 -7.693 1.00 0.00 O ATOM 0 H GLY A 37 -3.250 10.512 -4.295 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -3.664 11.431 -6.670 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.993 10.974 -6.937 1.00 0.00 H new ATOM 561 N GLY A 38 -3.150 8.477 -5.579 1.00 0.00 N ATOM 562 CA GLY A 38 -3.520 7.076 -5.680 1.00 0.00 C ATOM 563 C GLY A 38 -4.995 6.872 -5.327 1.00 0.00 C ATOM 564 O GLY A 38 -5.789 7.808 -5.396 1.00 0.00 O ATOM 0 H GLY A 38 -2.764 8.752 -4.676 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -3.332 6.718 -6.692 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -2.897 6.482 -5.011 1.00 0.00 H new ATOM 568 N LYS A 39 -5.317 5.641 -4.957 1.00 0.00 N ATOM 569 CA LYS A 39 -6.682 5.301 -4.594 1.00 0.00 C ATOM 570 C LYS A 39 -6.681 4.008 -3.775 1.00 0.00 C ATOM 571 O LYS A 39 -6.007 3.043 -4.134 1.00 0.00 O ATOM 572 CB LYS A 39 -7.569 5.240 -5.839 1.00 0.00 C ATOM 573 CG LYS A 39 -7.994 6.643 -6.278 1.00 0.00 C ATOM 574 CD LYS A 39 -9.411 6.630 -6.856 1.00 0.00 C ATOM 575 CE LYS A 39 -9.439 7.252 -8.254 1.00 0.00 C ATOM 576 NZ LYS A 39 -10.636 6.802 -8.998 1.00 0.00 N ATOM 0 H LYS A 39 -4.655 4.867 -4.901 1.00 0.00 H new ATOM 0 HA LYS A 39 -7.113 6.078 -3.963 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.031 4.749 -6.650 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -8.453 4.637 -5.631 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -7.950 7.323 -5.427 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -7.296 7.022 -7.025 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -9.779 5.605 -6.903 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -10.082 7.180 -6.196 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -9.440 8.339 -8.175 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -8.538 6.973 -8.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -10.639 7.233 -9.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -10.619 5.766 -9.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -11.493 7.090 -8.484 1.00 0.00 H new ATOM 590 N LEU A 40 -7.443 4.031 -2.692 1.00 0.00 N ATOM 591 CA LEU A 40 -7.538 2.872 -1.820 1.00 0.00 C ATOM 592 C LEU A 40 -8.398 1.802 -2.494 1.00 0.00 C ATOM 593 O LEU A 40 -9.348 2.121 -3.208 1.00 0.00 O ATOM 594 CB LEU A 40 -8.042 3.284 -0.435 1.00 0.00 C ATOM 595 CG LEU A 40 -7.982 2.205 0.648 1.00 0.00 C ATOM 596 CD1 LEU A 40 -7.408 2.767 1.950 1.00 0.00 C ATOM 597 CD2 LEU A 40 -9.355 1.562 0.858 1.00 0.00 C ATOM 0 H LEU A 40 -8.000 4.833 -2.398 1.00 0.00 H new ATOM 0 HA LEU A 40 -6.553 2.435 -1.658 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -7.460 4.142 -0.098 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.075 3.618 -0.531 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.306 1.419 0.310 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.376 1.980 2.703 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.399 3.140 1.772 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -8.039 3.582 2.304 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -9.285 0.799 1.633 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -10.071 2.325 1.164 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -9.689 1.104 -0.073 1.00 0.00 H new ATOM 609 N THR A 41 -8.035 0.552 -2.244 1.00 0.00 N ATOM 610 CA THR A 41 -8.762 -0.568 -2.817 1.00 0.00 C ATOM 611 C THR A 41 -9.075 -1.608 -1.740 1.00 0.00 C ATOM 612 O THR A 41 -8.522 -1.556 -0.643 1.00 0.00 O ATOM 613 CB THR A 41 -7.934 -1.124 -3.977 1.00 0.00 C ATOM 614 OG1 THR A 41 -8.738 -2.175 -4.505 1.00 0.00 O ATOM 615 CG2 THR A 41 -6.662 -1.830 -3.503 1.00 0.00 C ATOM 0 H THR A 41 -7.247 0.290 -1.652 1.00 0.00 H new ATOM 0 HA THR A 41 -9.729 -0.253 -3.210 1.00 0.00 H new ATOM 0 HB THR A 41 -7.668 -0.313 -4.654 1.00 0.00 H new ATOM 0 HG1 THR A 41 -8.211 -2.701 -5.142 1.00 0.00 H new ATOM 0 HG21 THR A 41 -6.111 -2.206 -4.365 1.00 0.00 H new ATOM 0 HG22 THR A 41 -6.038 -1.125 -2.953 1.00 0.00 H new ATOM 0 HG23 THR A 41 -6.929 -2.663 -2.852 1.00 0.00 H new ATOM 623 N GLY A 42 -9.960 -2.529 -2.092 1.00 0.00 N ATOM 624 CA GLY A 42 -10.353 -3.580 -1.169 1.00 0.00 C ATOM 625 C GLY A 42 -9.688 -4.909 -1.535 1.00 0.00 C ATOM 626 O GLY A 42 -9.276 -5.664 -0.656 1.00 0.00 O ATOM 0 H GLY A 42 -10.416 -2.569 -3.004 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -10.076 -3.299 -0.153 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -11.437 -3.695 -1.184 1.00 0.00 H new ATOM 630 N THR A 43 -9.603 -5.153 -2.835 1.00 0.00 N ATOM 631 CA THR A 43 -8.994 -6.377 -3.328 1.00 0.00 C ATOM 632 C THR A 43 -7.480 -6.203 -3.461 1.00 0.00 C ATOM 633 O THR A 43 -7.001 -5.116 -3.778 1.00 0.00 O ATOM 634 CB THR A 43 -9.681 -6.749 -4.644 1.00 0.00 C ATOM 635 OG1 THR A 43 -11.024 -7.036 -4.265 1.00 0.00 O ATOM 636 CG2 THR A 43 -9.165 -8.069 -5.220 1.00 0.00 C ATOM 0 H THR A 43 -9.946 -4.524 -3.561 1.00 0.00 H new ATOM 0 HA THR A 43 -9.135 -7.200 -2.627 1.00 0.00 H new ATOM 0 HB THR A 43 -9.529 -5.952 -5.372 1.00 0.00 H new ATOM 0 HG1 THR A 43 -11.542 -7.285 -5.059 1.00 0.00 H new ATOM 0 HG21 THR A 43 -9.685 -8.287 -6.153 1.00 0.00 H new ATOM 0 HG22 THR A 43 -8.095 -7.989 -5.411 1.00 0.00 H new ATOM 0 HG23 THR A 43 -9.347 -8.873 -4.507 1.00 0.00 H new ATOM 644 N ALA A 44 -6.768 -7.292 -3.211 1.00 0.00 N ATOM 645 CA ALA A 44 -5.318 -7.275 -3.298 1.00 0.00 C ATOM 646 C ALA A 44 -4.896 -7.512 -4.750 1.00 0.00 C ATOM 647 O ALA A 44 -4.025 -6.815 -5.268 1.00 0.00 O ATOM 648 CB ALA A 44 -4.736 -8.319 -2.344 1.00 0.00 C ATOM 0 H ALA A 44 -7.169 -8.192 -2.948 1.00 0.00 H new ATOM 0 HA ALA A 44 -4.927 -6.304 -2.995 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -3.648 -8.306 -2.410 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -5.041 -8.089 -1.323 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -5.104 -9.308 -2.618 1.00 0.00 H new ATOM 654 N ASN A 45 -5.533 -8.498 -5.364 1.00 0.00 N ATOM 655 CA ASN A 45 -5.234 -8.836 -6.745 1.00 0.00 C ATOM 656 C ASN A 45 -5.540 -7.631 -7.638 1.00 0.00 C ATOM 657 O ASN A 45 -5.120 -7.588 -8.793 1.00 0.00 O ATOM 658 CB ASN A 45 -6.093 -10.009 -7.223 1.00 0.00 C ATOM 659 CG ASN A 45 -5.235 -11.251 -7.470 1.00 0.00 C ATOM 660 OD1 ASN A 45 -4.552 -11.750 -6.590 1.00 0.00 O ATOM 661 ND2 ASN A 45 -5.308 -11.722 -8.711 1.00 0.00 N ATOM 0 H ASN A 45 -6.255 -9.074 -4.931 1.00 0.00 H new ATOM 0 HA ASN A 45 -4.181 -9.112 -6.805 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -6.857 -10.232 -6.478 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -6.613 -9.734 -8.140 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -4.773 -12.549 -8.975 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -5.899 -11.256 -9.399 1.00 0.00 H new ATOM 668 N LYS A 46 -6.269 -6.683 -7.068 1.00 0.00 N ATOM 669 CA LYS A 46 -6.636 -5.481 -7.798 1.00 0.00 C ATOM 670 C LYS A 46 -6.068 -4.258 -7.075 1.00 0.00 C ATOM 671 O LYS A 46 -6.763 -3.257 -6.902 1.00 0.00 O ATOM 672 CB LYS A 46 -8.150 -5.424 -8.008 1.00 0.00 C ATOM 673 CG LYS A 46 -8.642 -6.642 -8.792 1.00 0.00 C ATOM 674 CD LYS A 46 -9.351 -6.217 -10.079 1.00 0.00 C ATOM 675 CE LYS A 46 -9.857 -7.435 -10.855 1.00 0.00 C ATOM 676 NZ LYS A 46 -11.198 -7.168 -11.422 1.00 0.00 N ATOM 0 H LYS A 46 -6.615 -6.723 -6.109 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.199 -5.492 -8.797 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -8.653 -5.382 -7.042 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -8.412 -4.512 -8.544 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -7.798 -7.288 -9.034 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -9.323 -7.226 -8.173 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -10.188 -5.562 -9.838 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -8.666 -5.643 -10.703 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -9.159 -7.679 -11.656 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -9.901 -8.302 -10.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -11.526 -8.005 -11.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -11.865 -6.957 -10.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -11.146 -6.354 -12.067 1.00 0.00 H new ATOM 690 N ALA A 47 -4.812 -4.378 -6.673 1.00 0.00 N ATOM 691 CA ALA A 47 -4.143 -3.295 -5.973 1.00 0.00 C ATOM 692 C ALA A 47 -2.743 -3.102 -6.559 1.00 0.00 C ATOM 693 O ALA A 47 -2.167 -4.034 -7.120 1.00 0.00 O ATOM 694 CB ALA A 47 -4.111 -3.598 -4.474 1.00 0.00 C ATOM 0 H ALA A 47 -4.239 -5.209 -6.819 1.00 0.00 H new ATOM 0 HA ALA A 47 -4.687 -2.360 -6.105 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -3.609 -2.785 -3.949 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -5.130 -3.696 -4.101 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.571 -4.529 -4.302 1.00 0.00 H new ATOM 700 N SER A 48 -2.235 -1.888 -6.409 1.00 0.00 N ATOM 701 CA SER A 48 -0.913 -1.561 -6.917 1.00 0.00 C ATOM 702 C SER A 48 0.120 -1.672 -5.794 1.00 0.00 C ATOM 703 O SER A 48 1.285 -1.976 -6.046 1.00 0.00 O ATOM 704 CB SER A 48 -0.888 -0.158 -7.525 1.00 0.00 C ATOM 705 OG SER A 48 -1.952 0.042 -8.451 1.00 0.00 O ATOM 0 H SER A 48 -2.715 -1.118 -5.943 1.00 0.00 H new ATOM 0 HA SER A 48 -0.663 -2.272 -7.704 1.00 0.00 H new ATOM 0 HB2 SER A 48 -0.956 0.583 -6.729 1.00 0.00 H new ATOM 0 HB3 SER A 48 0.065 0.002 -8.028 1.00 0.00 H new ATOM 0 HG SER A 48 -1.728 0.784 -9.051 1.00 0.00 H new ATOM 711 N LEU A 49 -0.344 -1.420 -4.579 1.00 0.00 N ATOM 712 CA LEU A 49 0.526 -1.488 -3.417 1.00 0.00 C ATOM 713 C LEU A 49 -0.299 -1.883 -2.190 1.00 0.00 C ATOM 714 O LEU A 49 -1.516 -1.703 -2.171 1.00 0.00 O ATOM 715 CB LEU A 49 1.293 -0.175 -3.245 1.00 0.00 C ATOM 716 CG LEU A 49 1.960 0.038 -1.884 1.00 0.00 C ATOM 717 CD1 LEU A 49 3.260 -0.763 -1.779 1.00 0.00 C ATOM 718 CD2 LEU A 49 2.181 1.527 -1.609 1.00 0.00 C ATOM 0 H LEU A 49 -1.311 -1.168 -4.374 1.00 0.00 H new ATOM 0 HA LEU A 49 1.285 -2.259 -3.553 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.061 -0.122 -4.016 1.00 0.00 H new ATOM 0 HB3 LEU A 49 0.605 0.651 -3.424 1.00 0.00 H new ATOM 0 HG LEU A 49 1.288 -0.336 -1.112 1.00 0.00 H new ATOM 0 HD11 LEU A 49 3.714 -0.594 -0.802 1.00 0.00 H new ATOM 0 HD12 LEU A 49 3.044 -1.825 -1.900 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.949 -0.442 -2.560 1.00 0.00 H new ATOM 0 HD21 LEU A 49 2.656 1.651 -0.636 1.00 0.00 H new ATOM 0 HD22 LEU A 49 2.823 1.948 -2.382 1.00 0.00 H new ATOM 0 HD23 LEU A 49 1.221 2.044 -1.612 1.00 0.00 H new ATOM 730 N CYS A 50 0.396 -2.415 -1.196 1.00 0.00 N ATOM 731 CA CYS A 50 -0.257 -2.838 0.031 1.00 0.00 C ATOM 732 C CYS A 50 0.416 -2.122 1.205 1.00 0.00 C ATOM 733 O CYS A 50 1.623 -1.885 1.183 1.00 0.00 O ATOM 734 CB CYS A 50 -0.222 -4.359 0.196 1.00 0.00 C ATOM 735 SG CYS A 50 -1.570 -4.898 1.311 1.00 0.00 S ATOM 0 H CYS A 50 1.405 -2.563 -1.215 1.00 0.00 H new ATOM 0 HA CYS A 50 -1.312 -2.566 -0.004 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -0.328 -4.841 -0.776 1.00 0.00 H new ATOM 0 HB3 CYS A 50 0.742 -4.667 0.601 1.00 0.00 H new ATOM 0 HG CYS A 50 -2.308 -3.875 1.626 1.00 0.00 H new ATOM 741 N ILE A 51 -0.395 -1.796 2.201 1.00 0.00 N ATOM 742 CA ILE A 51 0.107 -1.112 3.380 1.00 0.00 C ATOM 743 C ILE A 51 -0.338 -1.871 4.632 1.00 0.00 C ATOM 744 O ILE A 51 -1.444 -1.664 5.128 1.00 0.00 O ATOM 745 CB ILE A 51 -0.319 0.358 3.369 1.00 0.00 C ATOM 746 CG1 ILE A 51 0.175 1.061 2.103 1.00 0.00 C ATOM 747 CG2 ILE A 51 0.145 1.073 4.639 1.00 0.00 C ATOM 748 CD1 ILE A 51 -0.037 2.573 2.198 1.00 0.00 C ATOM 0 H ILE A 51 -1.396 -1.993 2.215 1.00 0.00 H new ATOM 0 HA ILE A 51 1.197 -1.104 3.381 1.00 0.00 H new ATOM 0 HB ILE A 51 -1.408 0.398 3.357 1.00 0.00 H new ATOM 0 HG12 ILE A 51 1.233 0.847 1.953 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -0.355 0.670 1.235 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -0.171 2.116 4.605 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -0.295 0.589 5.511 1.00 0.00 H new ATOM 0 HG23 ILE A 51 1.232 1.025 4.707 1.00 0.00 H new ATOM 0 HD11 ILE A 51 0.322 3.049 1.286 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -1.099 2.784 2.323 1.00 0.00 H new ATOM 0 HD13 ILE A 51 0.514 2.965 3.053 1.00 0.00 H new ATOM 760 N SER A 52 0.548 -2.734 5.108 1.00 0.00 N ATOM 761 CA SER A 52 0.261 -3.525 6.293 1.00 0.00 C ATOM 762 C SER A 52 1.387 -3.364 7.315 1.00 0.00 C ATOM 763 O SER A 52 2.279 -2.535 7.136 1.00 0.00 O ATOM 764 CB SER A 52 0.073 -5.001 5.937 1.00 0.00 C ATOM 765 OG SER A 52 -0.598 -5.718 6.970 1.00 0.00 O ATOM 0 H SER A 52 1.465 -2.903 4.694 1.00 0.00 H new ATOM 0 HA SER A 52 -0.670 -3.163 6.729 1.00 0.00 H new ATOM 0 HB2 SER A 52 -0.497 -5.081 5.011 1.00 0.00 H new ATOM 0 HB3 SER A 52 1.046 -5.456 5.753 1.00 0.00 H new ATOM 0 HG SER A 52 -1.335 -5.175 7.320 1.00 0.00 H new ATOM 771 N THR A 53 1.311 -4.169 8.364 1.00 0.00 N ATOM 772 CA THR A 53 2.313 -4.126 9.415 1.00 0.00 C ATOM 773 C THR A 53 3.203 -5.370 9.354 1.00 0.00 C ATOM 774 O THR A 53 2.833 -6.373 8.746 1.00 0.00 O ATOM 775 CB THR A 53 1.589 -3.962 10.753 1.00 0.00 C ATOM 776 OG1 THR A 53 0.800 -5.143 10.868 1.00 0.00 O ATOM 777 CG2 THR A 53 0.562 -2.829 10.727 1.00 0.00 C ATOM 0 H THR A 53 0.570 -4.855 8.509 1.00 0.00 H new ATOM 0 HA THR A 53 2.985 -3.277 9.287 1.00 0.00 H new ATOM 0 HB THR A 53 2.319 -3.773 11.540 1.00 0.00 H new ATOM 0 HG1 THR A 53 0.298 -5.120 11.709 1.00 0.00 H new ATOM 0 HG21 THR A 53 0.077 -2.755 11.700 1.00 0.00 H new ATOM 0 HG22 THR A 53 1.064 -1.888 10.499 1.00 0.00 H new ATOM 0 HG23 THR A 53 -0.188 -3.035 9.963 1.00 0.00 H new ATOM 785 N LYS A 54 4.359 -5.263 9.993 1.00 0.00 N ATOM 786 CA LYS A 54 5.304 -6.366 10.020 1.00 0.00 C ATOM 787 C LYS A 54 4.630 -7.595 10.632 1.00 0.00 C ATOM 788 O LYS A 54 4.820 -8.713 10.156 1.00 0.00 O ATOM 789 CB LYS A 54 6.592 -5.951 10.734 1.00 0.00 C ATOM 790 CG LYS A 54 7.623 -7.081 10.705 1.00 0.00 C ATOM 791 CD LYS A 54 8.439 -7.046 9.411 1.00 0.00 C ATOM 792 CE LYS A 54 9.917 -6.781 9.702 1.00 0.00 C ATOM 793 NZ LYS A 54 10.735 -7.963 9.349 1.00 0.00 N ATOM 0 H LYS A 54 4.662 -4.429 10.496 1.00 0.00 H new ATOM 0 HA LYS A 54 5.602 -6.637 9.007 1.00 0.00 H new ATOM 0 HB2 LYS A 54 7.007 -5.063 10.257 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.369 -5.683 11.767 1.00 0.00 H new ATOM 0 HG2 LYS A 54 8.290 -6.991 11.562 1.00 0.00 H new ATOM 0 HG3 LYS A 54 7.117 -8.042 10.794 1.00 0.00 H new ATOM 0 HD2 LYS A 54 8.333 -7.994 8.884 1.00 0.00 H new ATOM 0 HD3 LYS A 54 8.050 -6.270 8.752 1.00 0.00 H new ATOM 0 HE2 LYS A 54 10.256 -5.914 9.134 1.00 0.00 H new ATOM 0 HE3 LYS A 54 10.049 -6.542 10.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 11.736 -7.766 9.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 10.422 -8.782 9.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 10.623 -8.173 8.337 1.00 0.00 H new ATOM 807 N LYS A 55 3.856 -7.346 11.678 1.00 0.00 N ATOM 808 CA LYS A 55 3.152 -8.419 12.360 1.00 0.00 C ATOM 809 C LYS A 55 2.327 -9.210 11.343 1.00 0.00 C ATOM 810 O LYS A 55 2.425 -10.434 11.276 1.00 0.00 O ATOM 811 CB LYS A 55 2.327 -7.864 13.523 1.00 0.00 C ATOM 812 CG LYS A 55 3.161 -7.797 14.804 1.00 0.00 C ATOM 813 CD LYS A 55 3.057 -6.416 15.454 1.00 0.00 C ATOM 814 CE LYS A 55 4.089 -6.257 16.572 1.00 0.00 C ATOM 815 NZ LYS A 55 5.442 -6.060 16.005 1.00 0.00 N ATOM 0 H LYS A 55 3.701 -6.417 12.070 1.00 0.00 H new ATOM 0 HA LYS A 55 3.861 -9.116 12.806 1.00 0.00 H new ATOM 0 HB2 LYS A 55 1.960 -6.869 13.271 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.453 -8.494 13.687 1.00 0.00 H new ATOM 0 HG2 LYS A 55 2.820 -8.559 15.505 1.00 0.00 H new ATOM 0 HG3 LYS A 55 4.204 -8.018 14.575 1.00 0.00 H new ATOM 0 HD2 LYS A 55 3.210 -5.643 14.701 1.00 0.00 H new ATOM 0 HD3 LYS A 55 2.054 -6.274 15.857 1.00 0.00 H new ATOM 0 HE2 LYS A 55 3.825 -5.407 17.201 1.00 0.00 H new ATOM 0 HE3 LYS A 55 4.081 -7.140 17.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 6.092 -5.754 16.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 5.781 -6.955 15.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 5.405 -5.333 15.262 1.00 0.00 H new ATOM 829 N GLU A 56 1.533 -8.478 10.576 1.00 0.00 N ATOM 830 CA GLU A 56 0.691 -9.095 9.565 1.00 0.00 C ATOM 831 C GLU A 56 1.538 -9.949 8.619 1.00 0.00 C ATOM 832 O GLU A 56 1.340 -11.160 8.526 1.00 0.00 O ATOM 833 CB GLU A 56 -0.100 -8.039 8.790 1.00 0.00 C ATOM 834 CG GLU A 56 -1.602 -8.182 9.047 1.00 0.00 C ATOM 835 CD GLU A 56 -1.914 -8.080 10.541 1.00 0.00 C ATOM 836 OE1 GLU A 56 -1.064 -7.515 11.262 1.00 0.00 O ATOM 837 OE2 GLU A 56 -2.997 -8.570 10.929 1.00 0.00 O ATOM 0 H GLU A 56 1.455 -7.463 10.634 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.027 -9.744 10.065 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.230 -7.043 9.085 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.101 -8.139 7.723 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.143 -7.406 8.505 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.951 -9.141 8.664 1.00 0.00 H new ATOM 844 N VAL A 57 2.462 -9.285 7.941 1.00 0.00 N ATOM 845 CA VAL A 57 3.340 -9.969 7.006 1.00 0.00 C ATOM 846 C VAL A 57 3.925 -11.212 7.678 1.00 0.00 C ATOM 847 O VAL A 57 4.106 -12.244 7.033 1.00 0.00 O ATOM 848 CB VAL A 57 4.412 -9.004 6.495 1.00 0.00 C ATOM 849 CG1 VAL A 57 5.230 -9.641 5.369 1.00 0.00 C ATOM 850 CG2 VAL A 57 3.790 -7.683 6.041 1.00 0.00 C ATOM 0 H VAL A 57 2.622 -8.281 8.020 1.00 0.00 H new ATOM 0 HA VAL A 57 2.781 -10.305 6.133 1.00 0.00 H new ATOM 0 HB VAL A 57 5.089 -8.788 7.321 1.00 0.00 H new ATOM 0 HG11 VAL A 57 5.985 -8.935 5.023 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.719 -10.542 5.739 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.570 -9.900 4.541 1.00 0.00 H new ATOM 0 HG21 VAL A 57 4.574 -7.016 5.683 1.00 0.00 H new ATOM 0 HG22 VAL A 57 3.079 -7.873 5.237 1.00 0.00 H new ATOM 0 HG23 VAL A 57 3.273 -7.217 6.880 1.00 0.00 H new ATOM 860 N GLU A 58 4.205 -11.074 8.965 1.00 0.00 N ATOM 861 CA GLU A 58 4.766 -12.173 9.732 1.00 0.00 C ATOM 862 C GLU A 58 3.682 -13.204 10.054 1.00 0.00 C ATOM 863 O GLU A 58 3.978 -14.382 10.246 1.00 0.00 O ATOM 864 CB GLU A 58 5.436 -11.665 11.010 1.00 0.00 C ATOM 865 CG GLU A 58 6.897 -11.288 10.751 1.00 0.00 C ATOM 866 CD GLU A 58 7.757 -11.542 11.991 1.00 0.00 C ATOM 867 OE1 GLU A 58 7.553 -10.810 12.983 1.00 0.00 O ATOM 868 OE2 GLU A 58 8.599 -12.463 11.918 1.00 0.00 O ATOM 0 H GLU A 58 4.054 -10.217 9.497 1.00 0.00 H new ATOM 0 HA GLU A 58 5.533 -12.657 9.127 1.00 0.00 H new ATOM 0 HB2 GLU A 58 4.895 -10.798 11.389 1.00 0.00 H new ATOM 0 HB3 GLU A 58 5.386 -12.434 11.781 1.00 0.00 H new ATOM 0 HG2 GLU A 58 7.282 -11.867 9.912 1.00 0.00 H new ATOM 0 HG3 GLU A 58 6.961 -10.237 10.469 1.00 0.00 H new ATOM 875 N LYS A 59 2.449 -12.722 10.102 1.00 0.00 N ATOM 876 CA LYS A 59 1.319 -13.587 10.398 1.00 0.00 C ATOM 877 C LYS A 59 0.928 -14.356 9.135 1.00 0.00 C ATOM 878 O LYS A 59 0.441 -15.483 9.216 1.00 0.00 O ATOM 879 CB LYS A 59 0.171 -12.779 11.006 1.00 0.00 C ATOM 880 CG LYS A 59 -1.156 -13.111 10.322 1.00 0.00 C ATOM 881 CD LYS A 59 -2.342 -12.648 11.170 1.00 0.00 C ATOM 882 CE LYS A 59 -2.505 -11.128 11.103 1.00 0.00 C ATOM 883 NZ LYS A 59 -1.823 -10.483 12.248 1.00 0.00 N ATOM 0 H LYS A 59 2.207 -11.744 9.941 1.00 0.00 H new ATOM 0 HA LYS A 59 1.591 -14.326 11.151 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.097 -12.991 12.073 1.00 0.00 H new ATOM 0 HB3 LYS A 59 0.379 -11.714 10.906 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -1.195 -12.631 9.344 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.223 -14.186 10.153 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -3.254 -13.131 10.820 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -2.196 -12.956 12.205 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -2.091 -10.753 10.167 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -3.564 -10.869 11.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -2.208 -9.527 12.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -1.978 -11.048 13.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -0.803 -10.420 12.054 1.00 0.00 H new ATOM 897 N MET A 60 1.154 -13.717 7.997 1.00 0.00 N ATOM 898 CA MET A 60 0.831 -14.327 6.718 1.00 0.00 C ATOM 899 C MET A 60 -0.612 -14.835 6.702 1.00 0.00 C ATOM 900 O MET A 60 -0.855 -16.021 6.486 1.00 0.00 O ATOM 901 CB MET A 60 1.785 -15.494 6.453 1.00 0.00 C ATOM 902 CG MET A 60 3.051 -15.015 5.740 1.00 0.00 C ATOM 903 SD MET A 60 2.844 -15.150 3.972 1.00 0.00 S ATOM 904 CE MET A 60 2.442 -13.456 3.577 1.00 0.00 C ATOM 0 H MET A 60 1.557 -12.782 7.934 1.00 0.00 H new ATOM 0 HA MET A 60 0.940 -13.572 5.939 1.00 0.00 H new ATOM 0 HB2 MET A 60 2.053 -15.971 7.396 1.00 0.00 H new ATOM 0 HB3 MET A 60 1.284 -16.247 5.845 1.00 0.00 H new ATOM 0 HG2 MET A 60 3.262 -13.981 6.012 1.00 0.00 H new ATOM 0 HG3 MET A 60 3.906 -15.610 6.061 1.00 0.00 H new ATOM 0 HE1 MET A 60 2.626 -13.276 2.518 1.00 0.00 H new ATOM 0 HE2 MET A 60 1.391 -13.270 3.800 1.00 0.00 H new ATOM 0 HE3 MET A 60 3.063 -12.786 4.172 1.00 0.00 H new ATOM 914 N ASN A 61 -1.533 -13.911 6.933 1.00 0.00 N ATOM 915 CA ASN A 61 -2.946 -14.249 6.948 1.00 0.00 C ATOM 916 C ASN A 61 -3.479 -14.259 5.514 1.00 0.00 C ATOM 917 O ASN A 61 -2.806 -13.793 4.595 1.00 0.00 O ATOM 918 CB ASN A 61 -3.751 -13.220 7.744 1.00 0.00 C ATOM 919 CG ASN A 61 -5.197 -13.684 7.935 1.00 0.00 C ATOM 920 OD1 ASN A 61 -6.113 -13.233 7.268 1.00 0.00 O ATOM 921 ND2 ASN A 61 -5.348 -14.606 8.881 1.00 0.00 N ATOM 0 H ASN A 61 -1.328 -12.928 7.111 1.00 0.00 H new ATOM 0 HA ASN A 61 -3.053 -15.229 7.414 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -3.285 -13.061 8.716 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -3.738 -12.262 7.224 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -6.275 -14.980 9.086 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -4.537 -14.940 9.402 1.00 0.00 H new ATOM 928 N LYS A 62 -4.682 -14.795 5.367 1.00 0.00 N ATOM 929 CA LYS A 62 -5.312 -14.871 4.060 1.00 0.00 C ATOM 930 C LYS A 62 -5.180 -13.520 3.355 1.00 0.00 C ATOM 931 O LYS A 62 -4.800 -13.460 2.186 1.00 0.00 O ATOM 932 CB LYS A 62 -6.757 -15.358 4.190 1.00 0.00 C ATOM 933 CG LYS A 62 -6.807 -16.872 4.407 1.00 0.00 C ATOM 934 CD LYS A 62 -6.632 -17.220 5.887 1.00 0.00 C ATOM 935 CE LYS A 62 -7.260 -18.577 6.209 1.00 0.00 C ATOM 936 NZ LYS A 62 -8.069 -18.493 7.446 1.00 0.00 N ATOM 0 H LYS A 62 -5.237 -15.181 6.131 1.00 0.00 H new ATOM 0 HA LYS A 62 -4.806 -15.607 3.436 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -7.242 -14.851 5.024 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -7.315 -15.097 3.291 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -7.759 -17.263 4.048 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -6.023 -17.353 3.822 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -5.571 -17.238 6.137 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -7.092 -16.447 6.503 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -7.887 -18.900 5.378 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -6.478 -19.327 6.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -8.488 -19.423 7.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -7.461 -18.205 8.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -8.827 -17.792 7.318 1.00 0.00 H new ATOM 950 N LYS A 63 -5.501 -12.468 4.095 1.00 0.00 N ATOM 951 CA LYS A 63 -5.423 -11.122 3.555 1.00 0.00 C ATOM 952 C LYS A 63 -4.035 -10.898 2.951 1.00 0.00 C ATOM 953 O LYS A 63 -3.914 -10.432 1.819 1.00 0.00 O ATOM 954 CB LYS A 63 -5.802 -10.094 4.623 1.00 0.00 C ATOM 955 CG LYS A 63 -7.316 -10.059 4.838 1.00 0.00 C ATOM 956 CD LYS A 63 -7.984 -9.076 3.874 1.00 0.00 C ATOM 957 CE LYS A 63 -9.272 -8.510 4.475 1.00 0.00 C ATOM 958 NZ LYS A 63 -9.599 -7.203 3.861 1.00 0.00 N ATOM 0 H LYS A 63 -5.816 -12.521 5.064 1.00 0.00 H new ATOM 0 HA LYS A 63 -6.146 -10.993 2.749 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.304 -10.338 5.561 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -5.451 -9.107 4.323 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.731 -11.056 4.692 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -7.534 -9.771 5.866 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -7.297 -8.262 3.645 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -8.208 -9.579 2.933 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -10.093 -9.209 4.315 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -9.157 -8.394 5.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -10.476 -6.832 4.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -8.822 -6.534 4.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -9.729 -7.324 2.836 1.00 0.00 H new ATOM 972 N MET A 64 -3.022 -11.242 3.733 1.00 0.00 N ATOM 973 CA MET A 64 -1.648 -11.085 3.289 1.00 0.00 C ATOM 974 C MET A 64 -1.337 -12.025 2.123 1.00 0.00 C ATOM 975 O MET A 64 -0.523 -11.701 1.260 1.00 0.00 O ATOM 976 CB MET A 64 -0.699 -11.384 4.452 1.00 0.00 C ATOM 977 CG MET A 64 0.727 -10.933 4.126 1.00 0.00 C ATOM 978 SD MET A 64 0.748 -9.184 3.771 1.00 0.00 S ATOM 979 CE MET A 64 0.331 -8.536 5.381 1.00 0.00 C ATOM 0 H MET A 64 -3.126 -11.629 4.671 1.00 0.00 H new ATOM 0 HA MET A 64 -1.511 -10.058 2.950 1.00 0.00 H new ATOM 0 HB2 MET A 64 -1.048 -10.876 5.351 1.00 0.00 H new ATOM 0 HB3 MET A 64 -0.706 -12.453 4.666 1.00 0.00 H new ATOM 0 HG2 MET A 64 1.387 -11.150 4.966 1.00 0.00 H new ATOM 0 HG3 MET A 64 1.107 -11.491 3.270 1.00 0.00 H new ATOM 0 HE1 MET A 64 0.978 -7.690 5.611 1.00 0.00 H new ATOM 0 HE2 MET A 64 -0.709 -8.209 5.383 1.00 0.00 H new ATOM 0 HE3 MET A 64 0.469 -9.313 6.133 1.00 0.00 H new ATOM 989 N GLU A 65 -2.003 -13.171 2.134 1.00 0.00 N ATOM 990 CA GLU A 65 -1.808 -14.160 1.088 1.00 0.00 C ATOM 991 C GLU A 65 -2.108 -13.549 -0.283 1.00 0.00 C ATOM 992 O GLU A 65 -1.301 -13.657 -1.205 1.00 0.00 O ATOM 993 CB GLU A 65 -2.672 -15.398 1.336 1.00 0.00 C ATOM 994 CG GLU A 65 -1.820 -16.571 1.827 1.00 0.00 C ATOM 995 CD GLU A 65 -1.710 -17.656 0.754 1.00 0.00 C ATOM 996 OE1 GLU A 65 -2.746 -17.921 0.107 1.00 0.00 O ATOM 997 OE2 GLU A 65 -0.592 -18.195 0.605 1.00 0.00 O ATOM 0 H GLU A 65 -2.678 -13.436 2.851 1.00 0.00 H new ATOM 0 HA GLU A 65 -0.765 -14.476 1.104 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -3.440 -15.168 2.074 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -3.186 -15.677 0.417 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -0.825 -16.216 2.093 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -2.261 -16.992 2.731 1.00 0.00 H new ATOM 1004 N GLU A 66 -3.271 -12.920 -0.373 1.00 0.00 N ATOM 1005 CA GLU A 66 -3.687 -12.291 -1.615 1.00 0.00 C ATOM 1006 C GLU A 66 -2.589 -11.360 -2.133 1.00 0.00 C ATOM 1007 O GLU A 66 -2.386 -11.245 -3.340 1.00 0.00 O ATOM 1008 CB GLU A 66 -5.006 -11.537 -1.433 1.00 0.00 C ATOM 1009 CG GLU A 66 -6.091 -12.458 -0.873 1.00 0.00 C ATOM 1010 CD GLU A 66 -7.034 -12.932 -1.981 1.00 0.00 C ATOM 1011 OE1 GLU A 66 -6.537 -13.636 -2.887 1.00 0.00 O ATOM 1012 OE2 GLU A 66 -8.230 -12.580 -1.898 1.00 0.00 O ATOM 0 H GLU A 66 -3.938 -12.833 0.394 1.00 0.00 H new ATOM 0 HA GLU A 66 -3.853 -13.072 -2.357 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -4.857 -10.693 -0.759 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.330 -11.127 -2.390 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -5.629 -13.319 -0.391 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -6.660 -11.931 -0.107 1.00 0.00 H new ATOM 1019 N VAL A 67 -1.910 -10.718 -1.193 1.00 0.00 N ATOM 1020 CA VAL A 67 -0.838 -9.800 -1.539 1.00 0.00 C ATOM 1021 C VAL A 67 0.394 -10.600 -1.966 1.00 0.00 C ATOM 1022 O VAL A 67 1.098 -10.213 -2.898 1.00 0.00 O ATOM 1023 CB VAL A 67 -0.561 -8.855 -0.369 1.00 0.00 C ATOM 1024 CG1 VAL A 67 0.480 -7.801 -0.750 1.00 0.00 C ATOM 1025 CG2 VAL A 67 -1.852 -8.197 0.122 1.00 0.00 C ATOM 0 H VAL A 67 -2.082 -10.816 -0.192 1.00 0.00 H new ATOM 0 HA VAL A 67 -1.128 -9.174 -2.383 1.00 0.00 H new ATOM 0 HB VAL A 67 -0.154 -9.447 0.450 1.00 0.00 H new ATOM 0 HG11 VAL A 67 0.658 -7.142 0.100 1.00 0.00 H new ATOM 0 HG12 VAL A 67 1.411 -8.294 -1.029 1.00 0.00 H new ATOM 0 HG13 VAL A 67 0.113 -7.215 -1.593 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -1.627 -7.530 0.954 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -2.301 -7.625 -0.690 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -2.550 -8.966 0.452 1.00 0.00 H new ATOM 1035 N LYS A 68 0.618 -11.701 -1.264 1.00 0.00 N ATOM 1036 CA LYS A 68 1.753 -12.559 -1.559 1.00 0.00 C ATOM 1037 C LYS A 68 1.561 -13.196 -2.937 1.00 0.00 C ATOM 1038 O LYS A 68 2.512 -13.317 -3.707 1.00 0.00 O ATOM 1039 CB LYS A 68 1.963 -13.575 -0.435 1.00 0.00 C ATOM 1040 CG LYS A 68 3.223 -14.409 -0.678 1.00 0.00 C ATOM 1041 CD LYS A 68 3.860 -14.837 0.646 1.00 0.00 C ATOM 1042 CE LYS A 68 5.249 -15.439 0.417 1.00 0.00 C ATOM 1043 NZ LYS A 68 5.150 -16.681 -0.382 1.00 0.00 N ATOM 0 H LYS A 68 0.033 -12.019 -0.491 1.00 0.00 H new ATOM 0 HA LYS A 68 2.672 -11.974 -1.604 1.00 0.00 H new ATOM 0 HB2 LYS A 68 2.045 -13.055 0.519 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.096 -14.232 -0.367 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.972 -15.291 -1.267 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.940 -13.830 -1.261 1.00 0.00 H new ATOM 0 HD2 LYS A 68 3.938 -13.977 1.311 1.00 0.00 H new ATOM 0 HD3 LYS A 68 3.221 -15.567 1.142 1.00 0.00 H new ATOM 0 HE2 LYS A 68 5.884 -14.718 -0.098 1.00 0.00 H new ATOM 0 HE3 LYS A 68 5.722 -15.653 1.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 6.086 -17.131 -0.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 4.481 -17.334 0.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 4.814 -16.452 -1.339 1.00 0.00 H new ATOM 1057 N GLU A 69 0.324 -13.588 -3.205 1.00 0.00 N ATOM 1058 CA GLU A 69 -0.005 -14.210 -4.476 1.00 0.00 C ATOM 1059 C GLU A 69 0.175 -13.209 -5.619 1.00 0.00 C ATOM 1060 O GLU A 69 0.699 -13.557 -6.677 1.00 0.00 O ATOM 1061 CB GLU A 69 -1.428 -14.772 -4.459 1.00 0.00 C ATOM 1062 CG GLU A 69 -1.672 -15.608 -3.201 1.00 0.00 C ATOM 1063 CD GLU A 69 -2.292 -16.962 -3.553 1.00 0.00 C ATOM 1064 OE1 GLU A 69 -1.592 -17.748 -4.227 1.00 0.00 O ATOM 1065 OE2 GLU A 69 -3.452 -17.179 -3.142 1.00 0.00 O ATOM 0 H GLU A 69 -0.462 -13.487 -2.563 1.00 0.00 H new ATOM 0 HA GLU A 69 0.678 -15.044 -4.638 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.147 -13.954 -4.501 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.591 -15.385 -5.345 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -0.730 -15.761 -2.674 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.332 -15.067 -2.523 1.00 0.00 H new ATOM 1072 N ALA A 70 -0.268 -11.986 -5.368 1.00 0.00 N ATOM 1073 CA ALA A 70 -0.162 -10.933 -6.363 1.00 0.00 C ATOM 1074 C ALA A 70 1.207 -10.261 -6.245 1.00 0.00 C ATOM 1075 O ALA A 70 1.447 -9.220 -6.854 1.00 0.00 O ATOM 1076 CB ALA A 70 -1.315 -9.943 -6.184 1.00 0.00 C ATOM 0 H ALA A 70 -0.701 -11.701 -4.490 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.240 -11.346 -7.369 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -1.235 -9.153 -6.931 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -2.264 -10.464 -6.307 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -1.268 -9.506 -5.187 1.00 0.00 H new ATOM 1082 N ASN A 71 2.070 -10.884 -5.455 1.00 0.00 N ATOM 1083 CA ASN A 71 3.409 -10.359 -5.249 1.00 0.00 C ATOM 1084 C ASN A 71 3.342 -8.836 -5.127 1.00 0.00 C ATOM 1085 O ASN A 71 4.029 -8.120 -5.854 1.00 0.00 O ATOM 1086 CB ASN A 71 4.322 -10.699 -6.429 1.00 0.00 C ATOM 1087 CG ASN A 71 5.750 -10.977 -5.955 1.00 0.00 C ATOM 1088 OD1 ASN A 71 5.984 -11.671 -4.979 1.00 0.00 O ATOM 1089 ND2 ASN A 71 6.689 -10.399 -6.698 1.00 0.00 N ATOM 0 H ASN A 71 1.868 -11.747 -4.950 1.00 0.00 H new ATOM 0 HA ASN A 71 3.811 -10.808 -4.341 1.00 0.00 H new ATOM 0 HB2 ASN A 71 3.933 -11.571 -6.955 1.00 0.00 H new ATOM 0 HB3 ASN A 71 4.325 -9.873 -7.141 1.00 0.00 H new ATOM 0 HD21 ASN A 71 7.674 -10.524 -6.464 1.00 0.00 H new ATOM 0 HD22 ASN A 71 6.425 -9.830 -7.502 1.00 0.00 H new ATOM 1096 N ILE A 72 2.507 -8.384 -4.202 1.00 0.00 N ATOM 1097 CA ILE A 72 2.342 -6.959 -3.975 1.00 0.00 C ATOM 1098 C ILE A 72 3.189 -6.536 -2.773 1.00 0.00 C ATOM 1099 O ILE A 72 2.894 -6.910 -1.639 1.00 0.00 O ATOM 1100 CB ILE A 72 0.859 -6.607 -3.836 1.00 0.00 C ATOM 1101 CG1 ILE A 72 0.107 -6.877 -5.141 1.00 0.00 C ATOM 1102 CG2 ILE A 72 0.680 -5.165 -3.359 1.00 0.00 C ATOM 1103 CD1 ILE A 72 -1.395 -6.643 -4.968 1.00 0.00 C ATOM 0 H ILE A 72 1.938 -8.980 -3.601 1.00 0.00 H new ATOM 0 HA ILE A 72 2.702 -6.393 -4.834 1.00 0.00 H new ATOM 0 HB ILE A 72 0.424 -7.254 -3.074 1.00 0.00 H new ATOM 0 HG12 ILE A 72 0.491 -6.227 -5.927 1.00 0.00 H new ATOM 0 HG13 ILE A 72 0.284 -7.904 -5.461 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.383 -4.941 -3.269 1.00 0.00 H new ATOM 0 HG22 ILE A 72 1.161 -5.040 -2.389 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.134 -4.484 -4.079 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.905 -6.842 -5.910 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.781 -7.311 -4.198 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.570 -5.609 -4.672 1.00 0.00 H new ATOM 1115 N ARG A 73 4.224 -5.762 -3.062 1.00 0.00 N ATOM 1116 CA ARG A 73 5.116 -5.284 -2.019 1.00 0.00 C ATOM 1117 C ARG A 73 4.312 -4.653 -0.881 1.00 0.00 C ATOM 1118 O ARG A 73 3.481 -3.776 -1.116 1.00 0.00 O ATOM 1119 CB ARG A 73 6.105 -4.254 -2.569 1.00 0.00 C ATOM 1120 CG ARG A 73 5.430 -2.894 -2.760 1.00 0.00 C ATOM 1121 CD ARG A 73 6.297 -1.967 -3.614 1.00 0.00 C ATOM 1122 NE ARG A 73 5.495 -1.404 -4.724 1.00 0.00 N ATOM 1123 CZ ARG A 73 5.314 -2.014 -5.903 1.00 0.00 C ATOM 1124 NH1 ARG A 73 5.876 -3.208 -6.134 1.00 0.00 N ATOM 1125 NH2 ARG A 73 4.571 -1.429 -6.852 1.00 0.00 N ATOM 0 H ARG A 73 4.465 -5.454 -4.004 1.00 0.00 H new ATOM 0 HA ARG A 73 5.674 -6.141 -1.642 1.00 0.00 H new ATOM 0 HB2 ARG A 73 6.948 -4.153 -1.886 1.00 0.00 H new ATOM 0 HB3 ARG A 73 6.506 -4.602 -3.521 1.00 0.00 H new ATOM 0 HG2 ARG A 73 4.459 -3.030 -3.236 1.00 0.00 H new ATOM 0 HG3 ARG A 73 5.248 -2.435 -1.788 1.00 0.00 H new ATOM 0 HD2 ARG A 73 6.698 -1.161 -2.999 1.00 0.00 H new ATOM 0 HD3 ARG A 73 7.149 -2.518 -4.013 1.00 0.00 H new ATOM 0 HE ARG A 73 5.053 -0.496 -4.582 1.00 0.00 H new ATOM 0 HH11 ARG A 73 6.442 -3.653 -5.412 1.00 0.00 H new ATOM 0 HH12 ARG A 73 5.738 -3.672 -7.032 1.00 0.00 H new ATOM 0 HH21 ARG A 73 4.143 -0.520 -6.677 1.00 0.00 H new ATOM 0 HH22 ARG A 73 4.433 -1.893 -7.750 1.00 0.00 H new ATOM 1139 N VAL A 74 4.587 -5.122 0.327 1.00 0.00 N ATOM 1140 CA VAL A 74 3.899 -4.614 1.501 1.00 0.00 C ATOM 1141 C VAL A 74 4.800 -3.606 2.218 1.00 0.00 C ATOM 1142 O VAL A 74 5.859 -3.967 2.728 1.00 0.00 O ATOM 1143 CB VAL A 74 3.470 -5.776 2.400 1.00 0.00 C ATOM 1144 CG1 VAL A 74 2.423 -5.323 3.419 1.00 0.00 C ATOM 1145 CG2 VAL A 74 2.953 -6.951 1.567 1.00 0.00 C ATOM 0 H VAL A 74 5.277 -5.848 0.518 1.00 0.00 H new ATOM 0 HA VAL A 74 2.988 -4.090 1.213 1.00 0.00 H new ATOM 0 HB VAL A 74 4.347 -6.116 2.950 1.00 0.00 H new ATOM 0 HG11 VAL A 74 2.135 -6.168 4.045 1.00 0.00 H new ATOM 0 HG12 VAL A 74 2.841 -4.534 4.044 1.00 0.00 H new ATOM 0 HG13 VAL A 74 1.545 -4.944 2.895 1.00 0.00 H new ATOM 0 HG21 VAL A 74 2.655 -7.763 2.230 1.00 0.00 H new ATOM 0 HG22 VAL A 74 2.094 -6.629 0.978 1.00 0.00 H new ATOM 0 HG23 VAL A 74 3.741 -7.298 0.899 1.00 0.00 H new ATOM 1155 N VAL A 75 4.346 -2.362 2.233 1.00 0.00 N ATOM 1156 CA VAL A 75 5.097 -1.299 2.879 1.00 0.00 C ATOM 1157 C VAL A 75 4.329 -0.812 4.110 1.00 0.00 C ATOM 1158 O VAL A 75 3.165 -1.161 4.297 1.00 0.00 O ATOM 1159 CB VAL A 75 5.389 -0.180 1.876 1.00 0.00 C ATOM 1160 CG1 VAL A 75 6.318 -0.670 0.764 1.00 0.00 C ATOM 1161 CG2 VAL A 75 4.092 0.388 1.296 1.00 0.00 C ATOM 0 H VAL A 75 3.467 -2.066 1.808 1.00 0.00 H new ATOM 0 HA VAL A 75 6.062 -1.669 3.224 1.00 0.00 H new ATOM 0 HB VAL A 75 5.898 0.623 2.409 1.00 0.00 H new ATOM 0 HG11 VAL A 75 6.510 0.144 0.065 1.00 0.00 H new ATOM 0 HG12 VAL A 75 7.260 -1.005 1.198 1.00 0.00 H new ATOM 0 HG13 VAL A 75 5.847 -1.499 0.235 1.00 0.00 H new ATOM 0 HG21 VAL A 75 4.327 1.181 0.586 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.544 -0.404 0.786 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.479 0.792 2.102 1.00 0.00 H new ATOM 1171 N SER A 76 5.013 -0.014 4.917 1.00 0.00 N ATOM 1172 CA SER A 76 4.410 0.524 6.124 1.00 0.00 C ATOM 1173 C SER A 76 3.560 1.749 5.784 1.00 0.00 C ATOM 1174 O SER A 76 3.565 2.215 4.646 1.00 0.00 O ATOM 1175 CB SER A 76 5.478 0.889 7.158 1.00 0.00 C ATOM 1176 OG SER A 76 5.467 2.280 7.467 1.00 0.00 O ATOM 0 H SER A 76 5.979 0.273 4.758 1.00 0.00 H new ATOM 0 HA SER A 76 3.770 -0.244 6.558 1.00 0.00 H new ATOM 0 HB2 SER A 76 5.313 0.314 8.069 1.00 0.00 H new ATOM 0 HB3 SER A 76 6.461 0.609 6.779 1.00 0.00 H new ATOM 0 HG SER A 76 6.008 2.441 8.268 1.00 0.00 H new ATOM 1182 N GLU A 77 2.849 2.235 6.791 1.00 0.00 N ATOM 1183 CA GLU A 77 1.996 3.398 6.612 1.00 0.00 C ATOM 1184 C GLU A 77 2.844 4.666 6.500 1.00 0.00 C ATOM 1185 O GLU A 77 2.411 5.656 5.910 1.00 0.00 O ATOM 1186 CB GLU A 77 0.983 3.514 7.753 1.00 0.00 C ATOM 1187 CG GLU A 77 -0.426 3.762 7.212 1.00 0.00 C ATOM 1188 CD GLU A 77 -1.021 5.045 7.796 1.00 0.00 C ATOM 1189 OE1 GLU A 77 -1.338 5.024 9.005 1.00 0.00 O ATOM 1190 OE2 GLU A 77 -1.145 6.018 7.020 1.00 0.00 O ATOM 0 H GLU A 77 2.846 1.845 7.733 1.00 0.00 H new ATOM 0 HA GLU A 77 1.437 3.276 5.684 1.00 0.00 H new ATOM 0 HB2 GLU A 77 0.993 2.600 8.347 1.00 0.00 H new ATOM 0 HB3 GLU A 77 1.270 4.329 8.417 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -0.394 3.834 6.125 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -1.067 2.915 7.457 1.00 0.00 H new ATOM 1197 N ASP A 78 4.035 4.596 7.074 1.00 0.00 N ATOM 1198 CA ASP A 78 4.947 5.727 7.045 1.00 0.00 C ATOM 1199 C ASP A 78 5.130 6.193 5.600 1.00 0.00 C ATOM 1200 O ASP A 78 5.218 7.391 5.336 1.00 0.00 O ATOM 1201 CB ASP A 78 6.322 5.340 7.595 1.00 0.00 C ATOM 1202 CG ASP A 78 6.356 5.030 9.093 1.00 0.00 C ATOM 1203 OD1 ASP A 78 6.095 5.972 9.873 1.00 0.00 O ATOM 1204 OD2 ASP A 78 6.641 3.859 9.424 1.00 0.00 O ATOM 0 H ASP A 78 4.390 3.774 7.562 1.00 0.00 H new ATOM 0 HA ASP A 78 4.521 6.519 7.662 1.00 0.00 H new ATOM 0 HB2 ASP A 78 6.682 4.467 7.050 1.00 0.00 H new ATOM 0 HB3 ASP A 78 7.020 6.152 7.392 1.00 0.00 H new ATOM 1209 N PHE A 79 5.182 5.221 4.701 1.00 0.00 N ATOM 1210 CA PHE A 79 5.353 5.516 3.288 1.00 0.00 C ATOM 1211 C PHE A 79 4.479 6.699 2.866 1.00 0.00 C ATOM 1212 O PHE A 79 4.973 7.663 2.282 1.00 0.00 O ATOM 1213 CB PHE A 79 4.914 4.272 2.515 1.00 0.00 C ATOM 1214 CG PHE A 79 5.165 4.355 1.008 1.00 0.00 C ATOM 1215 CD1 PHE A 79 6.353 3.940 0.492 1.00 0.00 C ATOM 1216 CD2 PHE A 79 4.200 4.844 0.184 1.00 0.00 C ATOM 1217 CE1 PHE A 79 6.586 4.017 -0.907 1.00 0.00 C ATOM 1218 CE2 PHE A 79 4.433 4.921 -1.215 1.00 0.00 C ATOM 1219 CZ PHE A 79 5.621 4.506 -1.731 1.00 0.00 C ATOM 0 H PHE A 79 5.109 4.228 4.924 1.00 0.00 H new ATOM 0 HA PHE A 79 6.392 5.775 3.085 1.00 0.00 H new ATOM 0 HB2 PHE A 79 5.440 3.405 2.913 1.00 0.00 H new ATOM 0 HB3 PHE A 79 3.851 4.106 2.687 1.00 0.00 H new ATOM 0 HD1 PHE A 79 7.120 3.552 1.146 1.00 0.00 H new ATOM 0 HD2 PHE A 79 3.257 5.174 0.593 1.00 0.00 H new ATOM 0 HE1 PHE A 79 7.529 3.687 -1.316 1.00 0.00 H new ATOM 0 HE2 PHE A 79 3.666 5.309 -1.869 1.00 0.00 H new ATOM 0 HZ PHE A 79 5.798 4.565 -2.795 1.00 0.00 H new ATOM 1229 N LEU A 80 3.197 6.588 3.178 1.00 0.00 N ATOM 1230 CA LEU A 80 2.250 7.636 2.838 1.00 0.00 C ATOM 1231 C LEU A 80 2.809 8.988 3.287 1.00 0.00 C ATOM 1232 O LEU A 80 2.636 9.994 2.600 1.00 0.00 O ATOM 1233 CB LEU A 80 0.869 7.319 3.417 1.00 0.00 C ATOM 1234 CG LEU A 80 0.113 6.166 2.754 1.00 0.00 C ATOM 1235 CD1 LEU A 80 -1.095 5.747 3.595 1.00 0.00 C ATOM 1236 CD2 LEU A 80 -0.284 6.523 1.320 1.00 0.00 C ATOM 0 H LEU A 80 2.791 5.788 3.663 1.00 0.00 H new ATOM 0 HA LEU A 80 2.113 7.690 1.758 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.985 7.090 4.476 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.254 8.217 3.350 1.00 0.00 H new ATOM 0 HG LEU A 80 0.781 5.307 2.699 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.615 4.926 3.101 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.758 5.423 4.580 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.774 6.593 3.704 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.820 5.686 0.872 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.927 7.403 1.329 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.612 6.734 0.736 1.00 0.00 H new ATOM 1248 N GLN A 81 3.468 8.967 4.436 1.00 0.00 N ATOM 1249 CA GLN A 81 4.054 10.179 4.984 1.00 0.00 C ATOM 1250 C GLN A 81 5.337 10.536 4.231 1.00 0.00 C ATOM 1251 O GLN A 81 5.735 11.699 4.192 1.00 0.00 O ATOM 1252 CB GLN A 81 4.321 10.029 6.483 1.00 0.00 C ATOM 1253 CG GLN A 81 5.823 9.955 6.768 1.00 0.00 C ATOM 1254 CD GLN A 81 6.091 9.833 8.269 1.00 0.00 C ATOM 1255 OE1 GLN A 81 5.187 9.720 9.080 1.00 0.00 O ATOM 1256 NE2 GLN A 81 7.381 9.863 8.592 1.00 0.00 N ATOM 0 H GLN A 81 3.609 8.131 5.003 1.00 0.00 H new ATOM 0 HA GLN A 81 3.342 10.994 4.855 1.00 0.00 H new ATOM 0 HB2 GLN A 81 3.887 10.872 7.020 1.00 0.00 H new ATOM 0 HB3 GLN A 81 3.832 9.129 6.855 1.00 0.00 H new ATOM 0 HG2 GLN A 81 6.254 9.100 6.247 1.00 0.00 H new ATOM 0 HG3 GLN A 81 6.315 10.846 6.378 1.00 0.00 H new ATOM 0 HE21 GLN A 81 8.087 9.960 7.862 1.00 0.00 H new ATOM 0 HE22 GLN A 81 7.664 9.789 9.569 1.00 0.00 H new ATOM 1265 N ASP A 82 5.949 9.513 3.652 1.00 0.00 N ATOM 1266 CA ASP A 82 7.179 9.705 2.902 1.00 0.00 C ATOM 1267 C ASP A 82 6.840 10.174 1.486 1.00 0.00 C ATOM 1268 O ASP A 82 7.328 11.211 1.039 1.00 0.00 O ATOM 1269 CB ASP A 82 7.965 8.397 2.791 1.00 0.00 C ATOM 1270 CG ASP A 82 9.404 8.461 3.310 1.00 0.00 C ATOM 1271 OD1 ASP A 82 9.580 8.227 4.525 1.00 0.00 O ATOM 1272 OD2 ASP A 82 10.294 8.744 2.479 1.00 0.00 O ATOM 0 H ASP A 82 5.616 8.549 3.687 1.00 0.00 H new ATOM 0 HA ASP A 82 7.782 10.446 3.427 1.00 0.00 H new ATOM 0 HB2 ASP A 82 7.431 7.622 3.340 1.00 0.00 H new ATOM 0 HB3 ASP A 82 7.985 8.090 1.745 1.00 0.00 H new ATOM 1277 N VAL A 83 6.007 9.389 0.820 1.00 0.00 N ATOM 1278 CA VAL A 83 5.597 9.711 -0.536 1.00 0.00 C ATOM 1279 C VAL A 83 5.016 11.126 -0.566 1.00 0.00 C ATOM 1280 O VAL A 83 5.289 11.894 -1.487 1.00 0.00 O ATOM 1281 CB VAL A 83 4.621 8.653 -1.053 1.00 0.00 C ATOM 1282 CG1 VAL A 83 5.369 7.487 -1.703 1.00 0.00 C ATOM 1283 CG2 VAL A 83 3.703 8.159 0.067 1.00 0.00 C ATOM 0 H VAL A 83 5.604 8.530 1.194 1.00 0.00 H new ATOM 0 HA VAL A 83 6.455 9.698 -1.208 1.00 0.00 H new ATOM 0 HB VAL A 83 3.997 9.118 -1.816 1.00 0.00 H new ATOM 0 HG11 VAL A 83 4.651 6.749 -2.062 1.00 0.00 H new ATOM 0 HG12 VAL A 83 5.960 7.856 -2.541 1.00 0.00 H new ATOM 0 HG13 VAL A 83 6.029 7.024 -0.970 1.00 0.00 H new ATOM 0 HG21 VAL A 83 3.019 7.408 -0.328 1.00 0.00 H new ATOM 0 HG22 VAL A 83 4.304 7.720 0.863 1.00 0.00 H new ATOM 0 HG23 VAL A 83 3.131 8.997 0.465 1.00 0.00 H new ATOM 1293 N SER A 84 4.225 11.428 0.453 1.00 0.00 N ATOM 1294 CA SER A 84 3.603 12.738 0.555 1.00 0.00 C ATOM 1295 C SER A 84 4.601 13.748 1.125 1.00 0.00 C ATOM 1296 O SER A 84 4.397 14.956 1.016 1.00 0.00 O ATOM 1297 CB SER A 84 2.346 12.684 1.426 1.00 0.00 C ATOM 1298 OG SER A 84 1.372 13.640 1.017 1.00 0.00 O ATOM 0 H SER A 84 4.000 10.789 1.215 1.00 0.00 H new ATOM 0 HA SER A 84 3.306 13.055 -0.445 1.00 0.00 H new ATOM 0 HB2 SER A 84 1.915 11.684 1.379 1.00 0.00 H new ATOM 0 HB3 SER A 84 2.617 12.865 2.466 1.00 0.00 H new ATOM 0 HG SER A 84 0.584 13.573 1.596 1.00 0.00 H new ATOM 1304 N ALA A 85 5.658 13.216 1.721 1.00 0.00 N ATOM 1305 CA ALA A 85 6.688 14.056 2.308 1.00 0.00 C ATOM 1306 C ALA A 85 8.065 13.502 1.937 1.00 0.00 C ATOM 1307 O ALA A 85 8.853 13.149 2.813 1.00 0.00 O ATOM 1308 CB ALA A 85 6.480 14.135 3.822 1.00 0.00 C ATOM 0 H ALA A 85 5.823 12.213 1.810 1.00 0.00 H new ATOM 0 HA ALA A 85 6.625 15.071 1.916 1.00 0.00 H new ATOM 0 HB1 ALA A 85 7.252 14.765 4.263 1.00 0.00 H new ATOM 0 HB2 ALA A 85 5.499 14.562 4.033 1.00 0.00 H new ATOM 0 HB3 ALA A 85 6.540 13.134 4.250 1.00 0.00 H new ATOM 1314 N SER A 86 8.313 13.444 0.636 1.00 0.00 N ATOM 1315 CA SER A 86 9.581 12.940 0.138 1.00 0.00 C ATOM 1316 C SER A 86 9.595 12.977 -1.391 1.00 0.00 C ATOM 1317 O SER A 86 8.628 12.572 -2.034 1.00 0.00 O ATOM 1318 CB SER A 86 9.842 11.517 0.637 1.00 0.00 C ATOM 1319 OG SER A 86 11.231 11.199 0.641 1.00 0.00 O ATOM 0 H SER A 86 7.657 13.738 -0.088 1.00 0.00 H new ATOM 0 HA SER A 86 10.377 13.581 0.518 1.00 0.00 H new ATOM 0 HB2 SER A 86 9.442 11.407 1.645 1.00 0.00 H new ATOM 0 HB3 SER A 86 9.309 10.807 0.004 1.00 0.00 H new ATOM 0 HG SER A 86 11.378 10.383 1.163 1.00 0.00 H new ATOM 1325 N THR A 87 10.702 13.468 -1.929 1.00 0.00 N ATOM 1326 CA THR A 87 10.854 13.564 -3.371 1.00 0.00 C ATOM 1327 C THR A 87 11.812 12.484 -3.879 1.00 0.00 C ATOM 1328 O THR A 87 12.573 12.717 -4.817 1.00 0.00 O ATOM 1329 CB THR A 87 11.308 14.986 -3.705 1.00 0.00 C ATOM 1330 OG1 THR A 87 12.504 15.155 -2.948 1.00 0.00 O ATOM 1331 CG2 THR A 87 10.361 16.050 -3.148 1.00 0.00 C ATOM 0 H THR A 87 11.502 13.803 -1.392 1.00 0.00 H new ATOM 0 HA THR A 87 9.909 13.382 -3.882 1.00 0.00 H new ATOM 0 HB THR A 87 11.383 15.098 -4.787 1.00 0.00 H new ATOM 0 HG1 THR A 87 12.868 16.051 -3.107 1.00 0.00 H new ATOM 0 HG21 THR A 87 10.730 17.041 -3.414 1.00 0.00 H new ATOM 0 HG22 THR A 87 9.366 15.908 -3.570 1.00 0.00 H new ATOM 0 HG23 THR A 87 10.311 15.961 -2.063 1.00 0.00 H new ATOM 1339 N LYS A 88 11.743 11.327 -3.237 1.00 0.00 N ATOM 1340 CA LYS A 88 12.595 10.212 -3.612 1.00 0.00 C ATOM 1341 C LYS A 88 11.851 9.320 -4.608 1.00 0.00 C ATOM 1342 O LYS A 88 10.661 9.515 -4.853 1.00 0.00 O ATOM 1343 CB LYS A 88 13.084 9.469 -2.367 1.00 0.00 C ATOM 1344 CG LYS A 88 13.879 10.400 -1.450 1.00 0.00 C ATOM 1345 CD LYS A 88 15.232 9.786 -1.085 1.00 0.00 C ATOM 1346 CE LYS A 88 15.254 9.340 0.379 1.00 0.00 C ATOM 1347 NZ LYS A 88 16.545 9.696 1.009 1.00 0.00 N ATOM 0 H LYS A 88 11.110 11.138 -2.460 1.00 0.00 H new ATOM 0 HA LYS A 88 13.493 10.571 -4.114 1.00 0.00 H new ATOM 0 HB2 LYS A 88 12.231 9.060 -1.825 1.00 0.00 H new ATOM 0 HB3 LYS A 88 13.707 8.626 -2.664 1.00 0.00 H new ATOM 0 HG2 LYS A 88 14.032 11.359 -1.944 1.00 0.00 H new ATOM 0 HG3 LYS A 88 13.308 10.597 -0.542 1.00 0.00 H new ATOM 0 HD2 LYS A 88 15.435 8.933 -1.732 1.00 0.00 H new ATOM 0 HD3 LYS A 88 16.025 10.514 -1.259 1.00 0.00 H new ATOM 0 HE2 LYS A 88 14.435 9.812 0.922 1.00 0.00 H new ATOM 0 HE3 LYS A 88 15.097 8.263 0.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 16.544 9.387 2.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 17.321 9.225 0.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 16.679 10.727 0.968 1.00 0.00 H new ATOM 1361 N SER A 89 12.582 8.359 -5.155 1.00 0.00 N ATOM 1362 CA SER A 89 12.006 7.437 -6.118 1.00 0.00 C ATOM 1363 C SER A 89 11.086 6.443 -5.406 1.00 0.00 C ATOM 1364 O SER A 89 11.389 5.993 -4.302 1.00 0.00 O ATOM 1365 CB SER A 89 13.098 6.692 -6.888 1.00 0.00 C ATOM 1366 OG SER A 89 14.174 7.551 -7.254 1.00 0.00 O ATOM 0 H SER A 89 13.568 8.200 -4.949 1.00 0.00 H new ATOM 0 HA SER A 89 11.422 8.013 -6.835 1.00 0.00 H new ATOM 0 HB2 SER A 89 13.479 5.874 -6.276 1.00 0.00 H new ATOM 0 HB3 SER A 89 12.669 6.246 -7.785 1.00 0.00 H new ATOM 0 HG SER A 89 14.851 7.037 -7.742 1.00 0.00 H new ATOM 1372 N LEU A 90 9.982 6.129 -6.067 1.00 0.00 N ATOM 1373 CA LEU A 90 9.016 5.197 -5.511 1.00 0.00 C ATOM 1374 C LEU A 90 9.734 3.910 -5.100 1.00 0.00 C ATOM 1375 O LEU A 90 9.688 3.514 -3.936 1.00 0.00 O ATOM 1376 CB LEU A 90 7.863 4.972 -6.491 1.00 0.00 C ATOM 1377 CG LEU A 90 6.642 5.875 -6.309 1.00 0.00 C ATOM 1378 CD1 LEU A 90 5.963 5.616 -4.963 1.00 0.00 C ATOM 1379 CD2 LEU A 90 7.018 7.348 -6.488 1.00 0.00 C ATOM 0 H LEU A 90 9.735 6.504 -6.983 1.00 0.00 H new ATOM 0 HA LEU A 90 8.562 5.611 -4.611 1.00 0.00 H new ATOM 0 HB2 LEU A 90 8.242 5.107 -7.504 1.00 0.00 H new ATOM 0 HB3 LEU A 90 7.539 3.935 -6.407 1.00 0.00 H new ATOM 0 HG LEU A 90 5.918 5.631 -7.086 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.098 6.271 -4.860 1.00 0.00 H new ATOM 0 HD12 LEU A 90 5.639 4.577 -4.913 1.00 0.00 H new ATOM 0 HD13 LEU A 90 6.668 5.815 -4.156 1.00 0.00 H new ATOM 0 HD21 LEU A 90 6.132 7.969 -6.354 1.00 0.00 H new ATOM 0 HD22 LEU A 90 7.770 7.624 -5.749 1.00 0.00 H new ATOM 0 HD23 LEU A 90 7.420 7.502 -7.489 1.00 0.00 H new ATOM 1391 N GLN A 91 10.381 3.294 -6.077 1.00 0.00 N ATOM 1392 CA GLN A 91 11.108 2.060 -5.832 1.00 0.00 C ATOM 1393 C GLN A 91 11.813 2.120 -4.475 1.00 0.00 C ATOM 1394 O GLN A 91 11.696 1.197 -3.670 1.00 0.00 O ATOM 1395 CB GLN A 91 12.107 1.779 -6.956 1.00 0.00 C ATOM 1396 CG GLN A 91 11.725 0.513 -7.726 1.00 0.00 C ATOM 1397 CD GLN A 91 12.951 -0.113 -8.394 1.00 0.00 C ATOM 1398 OE1 GLN A 91 14.033 0.449 -8.416 1.00 0.00 O ATOM 1399 NE2 GLN A 91 12.721 -1.305 -8.938 1.00 0.00 N ATOM 0 H GLN A 91 10.417 3.626 -7.041 1.00 0.00 H new ATOM 0 HA GLN A 91 10.393 1.238 -5.813 1.00 0.00 H new ATOM 0 HB2 GLN A 91 12.140 2.628 -7.639 1.00 0.00 H new ATOM 0 HB3 GLN A 91 13.108 1.667 -6.538 1.00 0.00 H new ATOM 0 HG2 GLN A 91 11.269 -0.207 -7.046 1.00 0.00 H new ATOM 0 HG3 GLN A 91 10.978 0.754 -8.482 1.00 0.00 H new ATOM 0 HE21 GLN A 91 11.791 -1.719 -8.884 1.00 0.00 H new ATOM 0 HE22 GLN A 91 13.475 -1.805 -9.409 1.00 0.00 H new ATOM 1408 N GLU A 92 12.528 3.214 -4.263 1.00 0.00 N ATOM 1409 CA GLU A 92 13.252 3.407 -3.018 1.00 0.00 C ATOM 1410 C GLU A 92 12.284 3.379 -1.833 1.00 0.00 C ATOM 1411 O GLU A 92 12.345 2.477 -0.998 1.00 0.00 O ATOM 1412 CB GLU A 92 14.050 4.711 -3.043 1.00 0.00 C ATOM 1413 CG GLU A 92 15.156 4.657 -4.099 1.00 0.00 C ATOM 1414 CD GLU A 92 16.467 4.151 -3.494 1.00 0.00 C ATOM 1415 OE1 GLU A 92 16.393 3.177 -2.714 1.00 0.00 O ATOM 1416 OE2 GLU A 92 17.513 4.749 -3.826 1.00 0.00 O ATOM 0 H GLU A 92 12.622 3.977 -4.933 1.00 0.00 H new ATOM 0 HA GLU A 92 13.962 2.588 -2.903 1.00 0.00 H new ATOM 0 HB2 GLU A 92 13.382 5.546 -3.253 1.00 0.00 H new ATOM 0 HB3 GLU A 92 14.488 4.892 -2.061 1.00 0.00 H new ATOM 0 HG2 GLU A 92 14.852 4.003 -4.916 1.00 0.00 H new ATOM 0 HG3 GLU A 92 15.307 5.649 -4.524 1.00 0.00 H new ATOM 1423 N LEU A 93 11.413 4.377 -1.797 1.00 0.00 N ATOM 1424 CA LEU A 93 10.434 4.478 -0.728 1.00 0.00 C ATOM 1425 C LEU A 93 9.929 3.078 -0.371 1.00 0.00 C ATOM 1426 O LEU A 93 9.987 2.671 0.788 1.00 0.00 O ATOM 1427 CB LEU A 93 9.321 5.454 -1.112 1.00 0.00 C ATOM 1428 CG LEU A 93 9.735 6.919 -1.262 1.00 0.00 C ATOM 1429 CD1 LEU A 93 8.526 7.802 -1.577 1.00 0.00 C ATOM 1430 CD2 LEU A 93 10.491 7.404 -0.023 1.00 0.00 C ATOM 0 H LEU A 93 11.365 5.123 -2.491 1.00 0.00 H new ATOM 0 HA LEU A 93 10.892 4.891 0.171 1.00 0.00 H new ATOM 0 HB2 LEU A 93 8.883 5.123 -2.054 1.00 0.00 H new ATOM 0 HB3 LEU A 93 8.537 5.394 -0.358 1.00 0.00 H new ATOM 0 HG LEU A 93 10.418 6.996 -2.108 1.00 0.00 H new ATOM 0 HD11 LEU A 93 8.849 8.838 -1.678 1.00 0.00 H new ATOM 0 HD12 LEU A 93 8.067 7.472 -2.509 1.00 0.00 H new ATOM 0 HD13 LEU A 93 7.799 7.726 -0.768 1.00 0.00 H new ATOM 0 HD21 LEU A 93 10.774 8.448 -0.155 1.00 0.00 H new ATOM 0 HD22 LEU A 93 9.851 7.310 0.854 1.00 0.00 H new ATOM 0 HD23 LEU A 93 11.388 6.800 0.116 1.00 0.00 H new ATOM 1442 N PHE A 94 9.446 2.381 -1.388 1.00 0.00 N ATOM 1443 CA PHE A 94 8.931 1.036 -1.196 1.00 0.00 C ATOM 1444 C PHE A 94 9.945 0.161 -0.457 1.00 0.00 C ATOM 1445 O PHE A 94 9.599 -0.517 0.509 1.00 0.00 O ATOM 1446 CB PHE A 94 8.686 0.448 -2.587 1.00 0.00 C ATOM 1447 CG PHE A 94 7.472 1.039 -3.308 1.00 0.00 C ATOM 1448 CD1 PHE A 94 6.326 1.287 -2.618 1.00 0.00 C ATOM 1449 CD2 PHE A 94 7.540 1.317 -4.637 1.00 0.00 C ATOM 1450 CE1 PHE A 94 5.200 1.835 -3.287 1.00 0.00 C ATOM 1451 CE2 PHE A 94 6.413 1.865 -5.306 1.00 0.00 C ATOM 1452 CZ PHE A 94 5.267 2.113 -4.617 1.00 0.00 C ATOM 0 H PHE A 94 9.400 2.722 -2.348 1.00 0.00 H new ATOM 0 HA PHE A 94 8.018 1.069 -0.601 1.00 0.00 H new ATOM 0 HB2 PHE A 94 9.573 0.609 -3.200 1.00 0.00 H new ATOM 0 HB3 PHE A 94 8.552 -0.630 -2.496 1.00 0.00 H new ATOM 0 HD1 PHE A 94 6.273 1.067 -1.562 1.00 0.00 H new ATOM 0 HD2 PHE A 94 8.450 1.121 -5.184 1.00 0.00 H new ATOM 0 HE1 PHE A 94 4.290 2.031 -2.740 1.00 0.00 H new ATOM 0 HE2 PHE A 94 6.466 2.085 -6.362 1.00 0.00 H new ATOM 0 HZ PHE A 94 4.411 2.530 -5.125 1.00 0.00 H new ATOM 1462 N LEU A 95 11.179 0.204 -0.940 1.00 0.00 N ATOM 1463 CA LEU A 95 12.246 -0.576 -0.337 1.00 0.00 C ATOM 1464 C LEU A 95 12.514 -0.058 1.078 1.00 0.00 C ATOM 1465 O LEU A 95 12.423 -0.811 2.046 1.00 0.00 O ATOM 1466 CB LEU A 95 13.483 -0.577 -1.237 1.00 0.00 C ATOM 1467 CG LEU A 95 14.813 -0.259 -0.549 1.00 0.00 C ATOM 1468 CD1 LEU A 95 15.012 -1.135 0.689 1.00 0.00 C ATOM 1469 CD2 LEU A 95 15.980 -0.380 -1.530 1.00 0.00 C ATOM 0 H LEU A 95 11.463 0.767 -1.742 1.00 0.00 H new ATOM 0 HA LEU A 95 11.948 -1.620 -0.243 1.00 0.00 H new ATOM 0 HB2 LEU A 95 13.565 -1.557 -1.707 1.00 0.00 H new ATOM 0 HB3 LEU A 95 13.327 0.148 -2.036 1.00 0.00 H new ATOM 0 HG LEU A 95 14.784 0.776 -0.210 1.00 0.00 H new ATOM 0 HD11 LEU A 95 15.964 -0.889 1.159 1.00 0.00 H new ATOM 0 HD12 LEU A 95 14.201 -0.956 1.395 1.00 0.00 H new ATOM 0 HD13 LEU A 95 15.012 -2.185 0.396 1.00 0.00 H new ATOM 0 HD21 LEU A 95 16.913 -0.149 -1.016 1.00 0.00 H new ATOM 0 HD22 LEU A 95 16.023 -1.397 -1.921 1.00 0.00 H new ATOM 0 HD23 LEU A 95 15.837 0.319 -2.354 1.00 0.00 H new ATOM 1481 N ALA A 96 12.840 1.224 1.152 1.00 0.00 N ATOM 1482 CA ALA A 96 13.122 1.851 2.432 1.00 0.00 C ATOM 1483 C ALA A 96 11.907 1.698 3.349 1.00 0.00 C ATOM 1484 O ALA A 96 12.010 1.894 4.559 1.00 0.00 O ATOM 1485 CB ALA A 96 13.504 3.316 2.210 1.00 0.00 C ATOM 0 H ALA A 96 12.915 1.845 0.347 1.00 0.00 H new ATOM 0 HA ALA A 96 13.966 1.364 2.920 1.00 0.00 H new ATOM 0 HB1 ALA A 96 13.716 3.786 3.170 1.00 0.00 H new ATOM 0 HB2 ALA A 96 14.390 3.369 1.577 1.00 0.00 H new ATOM 0 HB3 ALA A 96 12.679 3.838 1.724 1.00 0.00 H new ATOM 1491 N HIS A 97 10.784 1.349 2.738 1.00 0.00 N ATOM 1492 CA HIS A 97 9.551 1.168 3.484 1.00 0.00 C ATOM 1493 C HIS A 97 8.935 -0.189 3.135 1.00 0.00 C ATOM 1494 O HIS A 97 7.714 -0.322 3.073 1.00 0.00 O ATOM 1495 CB HIS A 97 8.592 2.335 3.241 1.00 0.00 C ATOM 1496 CG HIS A 97 9.171 3.687 3.583 1.00 0.00 C ATOM 1497 ND1 HIS A 97 9.413 4.092 4.884 1.00 0.00 N ATOM 1498 CD2 HIS A 97 9.554 4.721 2.780 1.00 0.00 C ATOM 1499 CE1 HIS A 97 9.918 5.316 4.854 1.00 0.00 C ATOM 1500 NE2 HIS A 97 10.004 5.705 3.549 1.00 0.00 N ATOM 0 H HIS A 97 10.703 1.187 1.734 1.00 0.00 H new ATOM 0 HA HIS A 97 9.765 1.167 4.553 1.00 0.00 H new ATOM 0 HB2 HIS A 97 8.293 2.334 2.193 1.00 0.00 H new ATOM 0 HB3 HIS A 97 7.689 2.178 3.830 1.00 0.00 H new ATOM 0 HD1 HIS A 97 9.233 3.541 5.723 1.00 0.00 H new ATOM 0 HD2 HIS A 97 9.500 4.736 1.701 1.00 0.00 H new ATOM 0 HE1 HIS A 97 10.210 5.903 5.712 1.00 0.00 H new ATOM 1508 N ILE A 98 9.809 -1.160 2.916 1.00 0.00 N ATOM 1509 CA ILE A 98 9.366 -2.502 2.575 1.00 0.00 C ATOM 1510 C ILE A 98 9.190 -3.318 3.857 1.00 0.00 C ATOM 1511 O ILE A 98 10.125 -3.451 4.645 1.00 0.00 O ATOM 1512 CB ILE A 98 10.321 -3.141 1.566 1.00 0.00 C ATOM 1513 CG1 ILE A 98 9.734 -4.434 0.996 1.00 0.00 C ATOM 1514 CG2 ILE A 98 11.703 -3.363 2.183 1.00 0.00 C ATOM 1515 CD1 ILE A 98 9.232 -4.225 -0.434 1.00 0.00 C ATOM 0 H ILE A 98 10.821 -1.045 2.968 1.00 0.00 H new ATOM 0 HA ILE A 98 8.394 -2.468 2.082 1.00 0.00 H new ATOM 0 HB ILE A 98 10.447 -2.450 0.732 1.00 0.00 H new ATOM 0 HG12 ILE A 98 10.491 -5.218 1.008 1.00 0.00 H new ATOM 0 HG13 ILE A 98 8.913 -4.774 1.627 1.00 0.00 H new ATOM 0 HG21 ILE A 98 12.362 -3.818 1.444 1.00 0.00 H new ATOM 0 HG22 ILE A 98 12.118 -2.406 2.499 1.00 0.00 H new ATOM 0 HG23 ILE A 98 11.614 -4.023 3.046 1.00 0.00 H new ATOM 0 HD11 ILE A 98 8.820 -5.159 -0.815 1.00 0.00 H new ATOM 0 HD12 ILE A 98 8.458 -3.458 -0.439 1.00 0.00 H new ATOM 0 HD13 ILE A 98 10.060 -3.909 -1.068 1.00 0.00 H new ATOM 1527 N LEU A 99 7.985 -3.842 4.027 1.00 0.00 N ATOM 1528 CA LEU A 99 7.675 -4.641 5.200 1.00 0.00 C ATOM 1529 C LEU A 99 7.767 -6.125 4.839 1.00 0.00 C ATOM 1530 O LEU A 99 7.937 -6.971 5.716 1.00 0.00 O ATOM 1531 CB LEU A 99 6.321 -4.233 5.784 1.00 0.00 C ATOM 1532 CG LEU A 99 6.247 -2.829 6.388 1.00 0.00 C ATOM 1533 CD1 LEU A 99 4.848 -2.541 6.936 1.00 0.00 C ATOM 1534 CD2 LEU A 99 7.331 -2.631 7.449 1.00 0.00 C ATOM 0 H LEU A 99 7.212 -3.729 3.372 1.00 0.00 H new ATOM 0 HA LEU A 99 8.404 -4.458 5.989 1.00 0.00 H new ATOM 0 HB2 LEU A 99 5.571 -4.309 4.997 1.00 0.00 H new ATOM 0 HB3 LEU A 99 6.048 -4.954 6.555 1.00 0.00 H new ATOM 0 HG LEU A 99 6.437 -2.105 5.595 1.00 0.00 H new ATOM 0 HD11 LEU A 99 4.823 -1.537 7.360 1.00 0.00 H new ATOM 0 HD12 LEU A 99 4.119 -2.613 6.129 1.00 0.00 H new ATOM 0 HD13 LEU A 99 4.604 -3.268 7.711 1.00 0.00 H new ATOM 0 HD21 LEU A 99 7.256 -1.625 7.862 1.00 0.00 H new ATOM 0 HD22 LEU A 99 7.197 -3.362 8.247 1.00 0.00 H new ATOM 0 HD23 LEU A 99 8.313 -2.765 6.995 1.00 0.00 H new ATOM 1546 N SER A 100 7.650 -6.396 3.548 1.00 0.00 N ATOM 1547 CA SER A 100 7.718 -7.763 3.060 1.00 0.00 C ATOM 1548 C SER A 100 9.017 -7.978 2.282 1.00 0.00 C ATOM 1549 O SER A 100 9.762 -7.030 2.037 1.00 0.00 O ATOM 1550 CB SER A 100 6.511 -8.095 2.180 1.00 0.00 C ATOM 1551 OG SER A 100 6.899 -8.668 0.935 1.00 0.00 O ATOM 0 H SER A 100 7.508 -5.692 2.824 1.00 0.00 H new ATOM 0 HA SER A 100 7.702 -8.433 3.919 1.00 0.00 H new ATOM 0 HB2 SER A 100 5.856 -8.787 2.709 1.00 0.00 H new ATOM 0 HB3 SER A 100 5.935 -7.188 1.998 1.00 0.00 H new ATOM 0 HG SER A 100 6.241 -9.342 0.666 1.00 0.00 H new ATOM 1557 N SER A 101 9.249 -9.229 1.913 1.00 0.00 N ATOM 1558 CA SER A 101 10.446 -9.580 1.167 1.00 0.00 C ATOM 1559 C SER A 101 10.110 -9.735 -0.317 1.00 0.00 C ATOM 1560 O SER A 101 11.006 -9.783 -1.158 1.00 0.00 O ATOM 1561 CB SER A 101 11.073 -10.867 1.706 1.00 0.00 C ATOM 1562 OG SER A 101 12.475 -10.728 1.921 1.00 0.00 O ATOM 0 H SER A 101 8.628 -10.012 2.117 1.00 0.00 H new ATOM 0 HA SER A 101 11.172 -8.776 1.287 1.00 0.00 H new ATOM 0 HB2 SER A 101 10.588 -11.142 2.643 1.00 0.00 H new ATOM 0 HB3 SER A 101 10.893 -11.680 1.003 1.00 0.00 H new ATOM 0 HG SER A 101 12.838 -11.570 2.267 1.00 0.00 H new ATOM 1568 N TRP A 102 8.817 -9.808 -0.594 1.00 0.00 N ATOM 1569 CA TRP A 102 8.351 -9.956 -1.963 1.00 0.00 C ATOM 1570 C TRP A 102 7.925 -8.576 -2.469 1.00 0.00 C ATOM 1571 O TRP A 102 8.269 -7.558 -1.871 1.00 0.00 O ATOM 1572 CB TRP A 102 7.235 -10.997 -2.053 1.00 0.00 C ATOM 1573 CG TRP A 102 5.883 -10.507 -1.530 1.00 0.00 C ATOM 1574 CD1 TRP A 102 4.961 -9.783 -2.178 1.00 0.00 C ATOM 1575 CD2 TRP A 102 5.335 -10.738 -0.214 1.00 0.00 C ATOM 1576 NE1 TRP A 102 3.864 -9.530 -1.380 1.00 0.00 N ATOM 1577 CE2 TRP A 102 4.099 -10.129 -0.148 1.00 0.00 C ATOM 1578 CE3 TRP A 102 5.868 -11.437 0.883 1.00 0.00 C ATOM 1579 CZ2 TRP A 102 3.290 -10.159 0.994 1.00 0.00 C ATOM 1580 CZ3 TRP A 102 5.047 -11.457 2.017 1.00 0.00 C ATOM 1581 CH2 TRP A 102 3.800 -10.850 2.100 1.00 0.00 C ATOM 0 H TRP A 102 8.076 -9.767 0.106 1.00 0.00 H new ATOM 0 HA TRP A 102 9.149 -10.330 -2.604 1.00 0.00 H new ATOM 0 HB2 TRP A 102 7.121 -11.304 -3.093 1.00 0.00 H new ATOM 0 HB3 TRP A 102 7.532 -11.882 -1.490 1.00 0.00 H new ATOM 0 HD1 TRP A 102 5.063 -9.440 -3.197 1.00 0.00 H new ATOM 0 HE1 TRP A 102 3.033 -9.001 -1.645 1.00 0.00 H new ATOM 0 HE3 TRP A 102 6.834 -11.920 0.853 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 2.325 -9.675 1.021 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 5.409 -11.981 2.889 1.00 0.00 H new ATOM 0 HH2 TRP A 102 3.227 -10.911 3.013 1.00 0.00 H new ATOM 1592 N GLY A 103 7.181 -8.588 -3.566 1.00 0.00 N ATOM 1593 CA GLY A 103 6.704 -7.350 -4.159 1.00 0.00 C ATOM 1594 C GLY A 103 7.657 -6.862 -5.252 1.00 0.00 C ATOM 1595 O GLY A 103 8.263 -5.800 -5.122 1.00 0.00 O ATOM 0 H GLY A 103 6.897 -9.435 -4.059 1.00 0.00 H new ATOM 0 HA2 GLY A 103 5.710 -7.504 -4.580 1.00 0.00 H new ATOM 0 HA3 GLY A 103 6.609 -6.586 -3.387 1.00 0.00 H new