USER MOD reduce.3.24.130724 H: found=0, std=0, add=787, rem=0, adj=27 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 24:sc= -1.28 USER MOD Set 1.2: A 64 MET CE :methyl -133:sc= -5.46! (180deg=-5.86!) USER MOD Set 2.1: A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 25 ASN : amide:sc= -0.0329 K(o=-0.033,f=-0.98) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= -1.22 USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0.18) USER MOD Single : A 14 MET CE :methyl -152:sc= -0.807 (180deg=-2.63!) 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+ -173:sc= 0 (180deg=-0.0435) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 MET CE :methyl -164:sc= -2.82! (180deg=-3.73!) 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 179:sc= -0.41 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.0618 X(o=-0.062,f=0) USER MOD Single : A 46 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0591) USER MOD Single : A 48 SER OG : rot -150:sc= 0.6 USER MOD Single : A 50 CYS SG : rot -170:sc= -0.134 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0635) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0436) USER MOD Single : A 60 MET CE :methyl 155:sc= -6.14! (180deg=-8.38!) USER MOD Single : A 61 ASN : amide:sc= -0.239 K(o=-0.24,f=-1.4!) 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+ -171:sc= 0 (180deg=-0.155) USER MOD Single : A 71 ASN : amide:sc= -0.474 K(o=-0.47,f=-2.4) USER MOD Single : A 76 SER OG : rot 180:sc= -0.0406 USER MOD Single : A 81 GLN :FLIP amide:sc= -1.09 F(o=-1.7,f=-1.1) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 150:sc= -0.0136 USER MOD Single : A 87 THR OG1 : rot -57:sc= 0.151 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= -0.133 K(o=-0.13,f=-0.89) USER MOD Single : A 97 HIS : no HE2:sc= -1.65 K(o=-1.6,f=-3) USER MOD Single : A 100 SER OG : rot 170:sc= 0.379 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 78 N LYS A 9 2.140 13.526 -7.574 1.00 0.00 N ATOM 79 CA LYS A 9 1.290 12.365 -7.374 1.00 0.00 C ATOM 80 C LYS A 9 2.110 11.093 -7.597 1.00 0.00 C ATOM 81 O LYS A 9 2.250 10.631 -8.728 1.00 0.00 O ATOM 82 CB LYS A 9 0.043 12.456 -8.256 1.00 0.00 C ATOM 83 CG LYS A 9 -0.793 13.687 -7.899 1.00 0.00 C ATOM 84 CD LYS A 9 -2.283 13.421 -8.123 1.00 0.00 C ATOM 85 CE LYS A 9 -2.673 13.678 -9.580 1.00 0.00 C ATOM 86 NZ LYS A 9 -3.908 14.490 -9.650 1.00 0.00 N ATOM 0 HA LYS A 9 0.925 12.333 -6.348 1.00 0.00 H new ATOM 0 HB2 LYS A 9 0.338 12.504 -9.304 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -0.559 11.556 -8.135 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -0.621 13.958 -6.857 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -0.476 14.535 -8.506 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -2.516 12.390 -7.857 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -2.873 14.061 -7.467 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -1.862 14.194 -10.094 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -2.825 12.729 -10.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -4.159 14.655 -10.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -4.684 13.984 -9.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -3.751 15.403 -9.177 1.00 0.00 H new ATOM 100 N PRO A 10 2.644 10.549 -6.471 1.00 0.00 N ATOM 101 CA PRO A 10 3.447 9.339 -6.532 1.00 0.00 C ATOM 102 C PRO A 10 2.566 8.107 -6.751 1.00 0.00 C ATOM 103 O PRO A 10 3.030 7.092 -7.267 1.00 0.00 O ATOM 104 CB PRO A 10 4.203 9.301 -5.214 1.00 0.00 C ATOM 105 CG PRO A 10 3.453 10.233 -4.276 1.00 0.00 C ATOM 106 CD PRO A 10 2.499 11.069 -5.114 1.00 0.00 C ATOM 0 HA PRO A 10 4.140 9.336 -7.373 1.00 0.00 H new ATOM 0 HB2 PRO A 10 4.238 8.288 -4.813 1.00 0.00 H new ATOM 0 HB3 PRO A 10 5.235 9.627 -5.346 1.00 0.00 H new ATOM 0 HG2 PRO A 10 2.903 9.661 -3.528 1.00 0.00 H new ATOM 0 HG3 PRO A 10 4.150 10.875 -3.737 1.00 0.00 H new ATOM 0 HD2 PRO A 10 1.473 10.972 -4.760 1.00 0.00 H new ATOM 0 HD3 PRO A 10 2.754 12.128 -5.066 1.00 0.00 H new ATOM 114 N LEU A 11 1.310 8.238 -6.348 1.00 0.00 N ATOM 115 CA LEU A 11 0.360 7.148 -6.494 1.00 0.00 C ATOM 116 C LEU A 11 -0.616 7.477 -7.625 1.00 0.00 C ATOM 117 O LEU A 11 -1.601 6.767 -7.826 1.00 0.00 O ATOM 118 CB LEU A 11 -0.324 6.851 -5.158 1.00 0.00 C ATOM 119 CG LEU A 11 0.602 6.472 -4.001 1.00 0.00 C ATOM 120 CD1 LEU A 11 1.789 5.644 -4.497 1.00 0.00 C ATOM 121 CD2 LEU A 11 1.052 7.714 -3.229 1.00 0.00 C ATOM 0 H LEU A 11 0.929 9.082 -5.921 1.00 0.00 H new ATOM 0 HA LEU A 11 0.874 6.229 -6.773 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -0.900 7.729 -4.864 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -1.035 6.039 -5.309 1.00 0.00 H new ATOM 0 HG LEU A 11 0.041 5.847 -3.306 1.00 0.00 H new ATOM 0 HD11 LEU A 11 2.431 5.388 -3.654 1.00 0.00 H new ATOM 0 HD12 LEU A 11 1.424 4.730 -4.966 1.00 0.00 H new ATOM 0 HD13 LEU A 11 2.358 6.223 -5.224 1.00 0.00 H new ATOM 0 HD21 LEU A 11 1.709 7.416 -2.412 1.00 0.00 H new ATOM 0 HD22 LEU A 11 1.588 8.385 -3.900 1.00 0.00 H new ATOM 0 HD23 LEU A 11 0.179 8.227 -2.824 1.00 0.00 H new ATOM 133 N SER A 12 -0.310 8.553 -8.335 1.00 0.00 N ATOM 134 CA SER A 12 -1.148 8.984 -9.441 1.00 0.00 C ATOM 135 C SER A 12 -1.457 7.798 -10.357 1.00 0.00 C ATOM 136 O SER A 12 -0.640 7.432 -11.200 1.00 0.00 O ATOM 137 CB SER A 12 -0.478 10.108 -10.234 1.00 0.00 C ATOM 138 OG SER A 12 -1.402 11.131 -10.594 1.00 0.00 O ATOM 0 H SER A 12 0.507 9.139 -8.166 1.00 0.00 H new ATOM 0 HA SER A 12 -2.081 9.371 -9.032 1.00 0.00 H new ATOM 0 HB2 SER A 12 0.328 10.540 -9.641 1.00 0.00 H new ATOM 0 HB3 SER A 12 -0.025 9.695 -11.135 1.00 0.00 H new ATOM 0 HG SER A 12 -0.936 11.831 -11.097 1.00 0.00 H new ATOM 144 N ASN A 13 -2.638 7.231 -10.160 1.00 0.00 N ATOM 145 CA ASN A 13 -3.065 6.094 -10.958 1.00 0.00 C ATOM 146 C ASN A 13 -2.506 4.808 -10.345 1.00 0.00 C ATOM 147 O ASN A 13 -1.923 3.984 -11.048 1.00 0.00 O ATOM 148 CB ASN A 13 -2.542 6.201 -12.392 1.00 0.00 C ATOM 149 CG ASN A 13 -3.502 5.530 -13.376 1.00 0.00 C ATOM 150 OD1 ASN A 13 -3.569 4.317 -13.489 1.00 0.00 O ATOM 151 ND2 ASN A 13 -4.239 6.384 -14.080 1.00 0.00 N ATOM 0 H ASN A 13 -3.313 7.538 -9.459 1.00 0.00 H new ATOM 0 HA ASN A 13 -4.155 6.081 -10.972 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -2.415 7.250 -12.660 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -1.560 5.734 -12.461 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -4.910 6.035 -14.764 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -4.133 7.388 -13.936 1.00 0.00 H new ATOM 158 N MET A 14 -2.703 4.677 -9.042 1.00 0.00 N ATOM 159 CA MET A 14 -2.227 3.506 -8.327 1.00 0.00 C ATOM 160 C MET A 14 -3.131 3.185 -7.134 1.00 0.00 C ATOM 161 O MET A 14 -3.342 4.031 -6.266 1.00 0.00 O ATOM 162 CB MET A 14 -0.800 3.754 -7.833 1.00 0.00 C ATOM 163 CG MET A 14 0.225 3.370 -8.903 1.00 0.00 C ATOM 164 SD MET A 14 1.135 1.925 -8.386 1.00 0.00 S ATOM 165 CE MET A 14 1.665 2.455 -6.766 1.00 0.00 C ATOM 0 H MET A 14 -3.186 5.363 -8.462 1.00 0.00 H new ATOM 0 HA MET A 14 -2.243 2.656 -9.010 1.00 0.00 H new ATOM 0 HB2 MET A 14 -0.680 4.805 -7.570 1.00 0.00 H new ATOM 0 HB3 MET A 14 -0.619 3.176 -6.927 1.00 0.00 H new ATOM 0 HG2 MET A 14 -0.281 3.173 -9.848 1.00 0.00 H new ATOM 0 HG3 MET A 14 0.911 4.199 -9.076 1.00 0.00 H new ATOM 0 HE1 MET A 14 2.598 1.954 -6.506 1.00 0.00 H new ATOM 0 HE2 MET A 14 1.821 3.534 -6.769 1.00 0.00 H new ATOM 0 HE3 MET A 14 0.900 2.201 -6.032 1.00 0.00 H new ATOM 175 N LYS A 15 -3.640 1.962 -7.131 1.00 0.00 N ATOM 176 CA LYS A 15 -4.516 1.520 -6.059 1.00 0.00 C ATOM 177 C LYS A 15 -3.671 0.967 -4.910 1.00 0.00 C ATOM 178 O LYS A 15 -2.832 0.091 -5.118 1.00 0.00 O ATOM 179 CB LYS A 15 -5.555 0.530 -6.591 1.00 0.00 C ATOM 180 CG LYS A 15 -6.951 1.155 -6.606 1.00 0.00 C ATOM 181 CD LYS A 15 -7.951 0.247 -7.324 1.00 0.00 C ATOM 182 CE LYS A 15 -7.695 0.234 -8.833 1.00 0.00 C ATOM 183 NZ LYS A 15 -8.925 -0.146 -9.564 1.00 0.00 N ATOM 0 H LYS A 15 -3.463 1.264 -7.853 1.00 0.00 H new ATOM 0 HA LYS A 15 -5.084 2.360 -5.660 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.282 0.217 -7.599 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -5.560 -0.366 -5.970 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -7.285 1.333 -5.584 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.914 2.125 -7.102 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -7.875 -0.766 -6.930 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -8.966 0.591 -7.127 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -7.360 1.219 -9.160 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -6.895 -0.468 -9.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -8.734 -0.150 -10.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -9.228 -1.095 -9.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -9.679 0.540 -9.355 1.00 0.00 H new ATOM 197 N ILE A 16 -3.921 1.500 -3.724 1.00 0.00 N ATOM 198 CA ILE A 16 -3.194 1.070 -2.542 1.00 0.00 C ATOM 199 C ILE A 16 -4.107 0.203 -1.673 1.00 0.00 C ATOM 200 O ILE A 16 -5.309 0.450 -1.591 1.00 0.00 O ATOM 201 CB ILE A 16 -2.609 2.277 -1.805 1.00 0.00 C ATOM 202 CG1 ILE A 16 -1.559 2.987 -2.663 1.00 0.00 C ATOM 203 CG2 ILE A 16 -2.052 1.868 -0.439 1.00 0.00 C ATOM 204 CD1 ILE A 16 -2.214 3.719 -3.836 1.00 0.00 C ATOM 0 H ILE A 16 -4.617 2.226 -3.556 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.341 0.452 -2.823 1.00 0.00 H new ATOM 0 HB ILE A 16 -3.413 2.990 -1.625 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -1.004 3.697 -2.051 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -0.839 2.260 -3.039 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.642 2.744 0.064 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -2.852 1.442 0.167 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.265 1.126 -0.574 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -1.446 4.215 -4.430 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -2.748 3.002 -4.460 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.915 4.462 -3.456 1.00 0.00 H new ATOM 216 N LEU A 17 -3.501 -0.795 -1.046 1.00 0.00 N ATOM 217 CA LEU A 17 -4.245 -1.700 -0.187 1.00 0.00 C ATOM 218 C LEU A 17 -3.723 -1.579 1.247 1.00 0.00 C ATOM 219 O LEU A 17 -2.597 -1.138 1.466 1.00 0.00 O ATOM 220 CB LEU A 17 -4.196 -3.125 -0.741 1.00 0.00 C ATOM 221 CG LEU A 17 -5.319 -4.060 -0.286 1.00 0.00 C ATOM 222 CD1 LEU A 17 -4.993 -4.691 1.069 1.00 0.00 C ATOM 223 CD2 LEU A 17 -6.665 -3.333 -0.270 1.00 0.00 C ATOM 0 H LEU A 17 -2.504 -0.996 -1.116 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.300 -1.426 -0.167 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -4.213 -3.071 -1.830 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.242 -3.571 -0.459 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.400 -4.872 -1.008 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -5.807 -5.351 1.369 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -4.071 -5.266 0.990 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -4.868 -3.906 1.815 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -7.446 -4.020 0.057 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -6.614 -2.488 0.417 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -6.896 -2.972 -1.272 1.00 0.00 H new ATOM 235 N THR A 18 -4.568 -1.979 2.185 1.00 0.00 N ATOM 236 CA THR A 18 -4.207 -1.921 3.592 1.00 0.00 C ATOM 237 C THR A 18 -4.646 -3.200 4.308 1.00 0.00 C ATOM 238 O THR A 18 -5.710 -3.744 4.018 1.00 0.00 O ATOM 239 CB THR A 18 -4.820 -0.651 4.185 1.00 0.00 C ATOM 240 OG1 THR A 18 -6.210 -0.769 3.896 1.00 0.00 O ATOM 241 CG2 THR A 18 -4.389 0.612 3.437 1.00 0.00 C ATOM 0 H THR A 18 -5.502 -2.345 1.999 1.00 0.00 H new ATOM 0 HA THR A 18 -3.126 -1.868 3.722 1.00 0.00 H new ATOM 0 HB THR A 18 -4.535 -0.566 5.234 1.00 0.00 H new ATOM 0 HG1 THR A 18 -6.685 0.013 4.247 1.00 0.00 H new ATOM 0 HG21 THR A 18 -4.852 1.484 3.898 1.00 0.00 H new ATOM 0 HG22 THR A 18 -3.304 0.710 3.483 1.00 0.00 H new ATOM 0 HG23 THR A 18 -4.703 0.543 2.395 1.00 0.00 H new ATOM 249 N LEU A 19 -3.803 -3.642 5.230 1.00 0.00 N ATOM 250 CA LEU A 19 -4.091 -4.847 5.990 1.00 0.00 C ATOM 251 C LEU A 19 -3.728 -4.616 7.459 1.00 0.00 C ATOM 252 O LEU A 19 -2.604 -4.225 7.770 1.00 0.00 O ATOM 253 CB LEU A 19 -3.390 -6.055 5.366 1.00 0.00 C ATOM 254 CG LEU A 19 -4.269 -7.278 5.102 1.00 0.00 C ATOM 255 CD1 LEU A 19 -3.692 -8.135 3.974 1.00 0.00 C ATOM 256 CD2 LEU A 19 -4.484 -8.086 6.383 1.00 0.00 C ATOM 0 H LEU A 19 -2.921 -3.188 5.468 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.157 -5.074 5.956 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.943 -5.743 4.422 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.573 -6.355 6.022 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.248 -6.930 4.773 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.336 -8.998 3.807 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.634 -7.543 3.061 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.694 -8.475 4.250 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.112 -8.950 6.167 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.521 -8.424 6.766 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.972 -7.460 7.130 1.00 0.00 H new ATOM 268 N GLY A 20 -4.701 -4.869 8.322 1.00 0.00 N ATOM 269 CA GLY A 20 -4.498 -4.694 9.750 1.00 0.00 C ATOM 270 C GLY A 20 -4.940 -3.301 10.200 1.00 0.00 C ATOM 271 O GLY A 20 -5.931 -2.769 9.702 1.00 0.00 O ATOM 0 H GLY A 20 -5.632 -5.194 8.060 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -5.060 -5.452 10.296 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -3.445 -4.841 9.992 1.00 0.00 H new ATOM 275 N LYS A 21 -4.184 -2.749 11.139 1.00 0.00 N ATOM 276 CA LYS A 21 -4.486 -1.427 11.661 1.00 0.00 C ATOM 277 C LYS A 21 -3.235 -0.551 11.573 1.00 0.00 C ATOM 278 O LYS A 21 -2.116 -1.046 11.695 1.00 0.00 O ATOM 279 CB LYS A 21 -5.066 -1.530 13.073 1.00 0.00 C ATOM 280 CG LYS A 21 -5.554 -0.165 13.566 1.00 0.00 C ATOM 281 CD LYS A 21 -6.848 0.242 12.859 1.00 0.00 C ATOM 282 CE LYS A 21 -7.279 1.651 13.274 1.00 0.00 C ATOM 283 NZ LYS A 21 -8.574 2.001 12.649 1.00 0.00 N ATOM 0 H LYS A 21 -3.364 -3.193 11.551 1.00 0.00 H new ATOM 0 HA LYS A 21 -5.256 -0.945 11.058 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -5.893 -2.240 13.080 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -4.308 -1.917 13.754 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -5.719 -0.201 14.643 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -4.785 0.587 13.387 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -6.704 0.205 11.779 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -7.638 -0.470 13.100 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -7.365 1.707 14.359 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -6.518 2.373 12.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -8.852 2.960 12.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -8.480 1.967 11.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -9.301 1.322 12.953 1.00 0.00 H new ATOM 297 N LEU A 22 -3.467 0.736 11.360 1.00 0.00 N ATOM 298 CA LEU A 22 -2.373 1.686 11.254 1.00 0.00 C ATOM 299 C LEU A 22 -2.584 2.816 12.264 1.00 0.00 C ATOM 300 O LEU A 22 -3.561 2.811 13.011 1.00 0.00 O ATOM 301 CB LEU A 22 -2.224 2.172 9.810 1.00 0.00 C ATOM 302 CG LEU A 22 -2.208 1.084 8.735 1.00 0.00 C ATOM 303 CD1 LEU A 22 -2.581 1.660 7.367 1.00 0.00 C ATOM 304 CD2 LEU A 22 -0.859 0.363 8.704 1.00 0.00 C ATOM 0 H LEU A 22 -4.397 1.143 11.258 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.427 1.207 11.505 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.042 2.858 9.592 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.299 2.744 9.734 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.964 0.341 8.990 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.562 0.866 6.620 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.581 2.090 7.414 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.865 2.435 7.091 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.875 -0.405 7.931 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.068 1.081 8.486 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.672 -0.101 9.673 1.00 0.00 H new ATOM 316 N SER A 23 -1.651 3.757 12.255 1.00 0.00 N ATOM 317 CA SER A 23 -1.722 4.890 13.161 1.00 0.00 C ATOM 318 C SER A 23 -2.918 5.774 12.801 1.00 0.00 C ATOM 319 O SER A 23 -3.628 6.253 13.683 1.00 0.00 O ATOM 320 CB SER A 23 -0.429 5.706 13.125 1.00 0.00 C ATOM 321 OG SER A 23 -0.378 6.672 14.171 1.00 0.00 O ATOM 0 H SER A 23 -0.842 3.758 11.634 1.00 0.00 H new ATOM 0 HA SER A 23 -1.851 4.510 14.174 1.00 0.00 H new ATOM 0 HB2 SER A 23 0.426 5.035 13.209 1.00 0.00 H new ATOM 0 HB3 SER A 23 -0.345 6.210 12.162 1.00 0.00 H new ATOM 0 HG SER A 23 0.463 7.171 14.115 1.00 0.00 H new ATOM 327 N ARG A 24 -3.104 5.963 11.503 1.00 0.00 N ATOM 328 CA ARG A 24 -4.201 6.781 11.015 1.00 0.00 C ATOM 329 C ARG A 24 -5.444 5.919 10.786 1.00 0.00 C ATOM 330 O ARG A 24 -5.409 4.706 10.987 1.00 0.00 O ATOM 331 CB ARG A 24 -3.827 7.481 9.707 1.00 0.00 C ATOM 332 CG ARG A 24 -2.703 8.496 9.931 1.00 0.00 C ATOM 333 CD ARG A 24 -2.773 9.627 8.902 1.00 0.00 C ATOM 334 NE ARG A 24 -1.671 10.588 9.131 1.00 0.00 N ATOM 335 CZ ARG A 24 -1.410 11.634 8.336 1.00 0.00 C ATOM 336 NH1 ARG A 24 -2.170 11.862 7.256 1.00 0.00 N ATOM 337 NH2 ARG A 24 -0.389 12.454 8.622 1.00 0.00 N ATOM 0 H ARG A 24 -2.513 5.563 10.774 1.00 0.00 H new ATOM 0 HA ARG A 24 -4.412 7.537 11.771 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -3.512 6.741 8.971 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -4.702 7.986 9.297 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -2.777 8.909 10.937 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -1.737 7.996 9.862 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -2.706 9.217 7.894 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -3.733 10.138 8.975 1.00 0.00 H new ATOM 0 HE ARG A 24 -1.073 10.445 9.945 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -2.948 11.239 7.039 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -1.971 12.659 6.651 1.00 0.00 H new ATOM 0 HH21 ARG A 24 0.189 12.281 9.445 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -0.190 13.251 8.017 1.00 0.00 H new ATOM 351 N ASN A 25 -6.514 6.579 10.368 1.00 0.00 N ATOM 352 CA ASN A 25 -7.766 5.889 10.110 1.00 0.00 C ATOM 353 C ASN A 25 -7.874 5.580 8.615 1.00 0.00 C ATOM 354 O ASN A 25 -7.459 6.382 7.780 1.00 0.00 O ATOM 355 CB ASN A 25 -8.965 6.756 10.501 1.00 0.00 C ATOM 356 CG ASN A 25 -9.150 6.782 12.020 1.00 0.00 C ATOM 357 OD1 ASN A 25 -8.931 5.803 12.714 1.00 0.00 O ATOM 358 ND2 ASN A 25 -9.565 7.953 12.494 1.00 0.00 N ATOM 0 H ASN A 25 -6.540 7.585 10.202 1.00 0.00 H new ATOM 0 HA ASN A 25 -7.775 4.974 10.703 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -8.820 7.771 10.131 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -9.868 6.370 10.028 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -9.719 8.072 13.495 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -9.729 8.732 11.856 1.00 0.00 H new ATOM 365 N LYS A 26 -8.434 4.416 8.323 1.00 0.00 N ATOM 366 CA LYS A 26 -8.602 3.991 6.944 1.00 0.00 C ATOM 367 C LYS A 26 -9.025 5.190 6.093 1.00 0.00 C ATOM 368 O LYS A 26 -8.584 5.334 4.954 1.00 0.00 O ATOM 369 CB LYS A 26 -9.569 2.808 6.861 1.00 0.00 C ATOM 370 CG LYS A 26 -9.283 1.951 5.626 1.00 0.00 C ATOM 371 CD LYS A 26 -10.509 1.123 5.237 1.00 0.00 C ATOM 372 CE LYS A 26 -11.513 1.966 4.449 1.00 0.00 C ATOM 373 NZ LYS A 26 -12.137 1.161 3.376 1.00 0.00 N ATOM 0 H LYS A 26 -8.777 3.753 9.018 1.00 0.00 H new ATOM 0 HA LYS A 26 -7.656 3.629 6.540 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -9.481 2.198 7.760 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -10.595 3.174 6.824 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -8.994 2.592 4.793 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -8.441 1.288 5.826 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -10.199 0.267 4.638 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -10.985 0.728 6.135 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -12.283 2.347 5.120 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -11.010 2.831 4.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -12.725 1.776 2.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -11.395 0.721 2.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -12.731 0.419 3.799 1.00 0.00 H new ATOM 387 N ASP A 27 -9.875 6.021 6.679 1.00 0.00 N ATOM 388 CA ASP A 27 -10.362 7.203 5.989 1.00 0.00 C ATOM 389 C ASP A 27 -9.184 8.130 5.681 1.00 0.00 C ATOM 390 O ASP A 27 -8.861 8.362 4.517 1.00 0.00 O ATOM 391 CB ASP A 27 -11.357 7.976 6.857 1.00 0.00 C ATOM 392 CG ASP A 27 -12.774 8.072 6.287 1.00 0.00 C ATOM 393 OD1 ASP A 27 -12.879 8.253 5.055 1.00 0.00 O ATOM 394 OD2 ASP A 27 -13.720 7.962 7.097 1.00 0.00 O ATOM 0 H ASP A 27 -10.239 5.899 7.624 1.00 0.00 H new ATOM 0 HA ASP A 27 -10.857 6.879 5.073 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -11.407 7.501 7.837 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -10.974 8.985 7.011 1.00 0.00 H new ATOM 399 N GLU A 28 -8.575 8.634 6.744 1.00 0.00 N ATOM 400 CA GLU A 28 -7.440 9.530 6.601 1.00 0.00 C ATOM 401 C GLU A 28 -6.510 9.036 5.491 1.00 0.00 C ATOM 402 O GLU A 28 -5.983 9.833 4.717 1.00 0.00 O ATOM 403 CB GLU A 28 -6.686 9.674 7.924 1.00 0.00 C ATOM 404 CG GLU A 28 -7.540 10.399 8.966 1.00 0.00 C ATOM 405 CD GLU A 28 -6.710 11.428 9.736 1.00 0.00 C ATOM 406 OE1 GLU A 28 -6.116 12.297 9.062 1.00 0.00 O ATOM 407 OE2 GLU A 28 -6.689 11.322 10.982 1.00 0.00 O ATOM 0 H GLU A 28 -8.846 8.439 7.708 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.813 10.516 6.324 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.409 8.688 8.298 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.760 10.225 7.761 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -8.376 10.896 8.474 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.964 9.675 9.661 1.00 0.00 H new ATOM 414 N VAL A 29 -6.337 7.723 5.448 1.00 0.00 N ATOM 415 CA VAL A 29 -5.480 7.113 4.446 1.00 0.00 C ATOM 416 C VAL A 29 -6.212 7.087 3.103 1.00 0.00 C ATOM 417 O VAL A 29 -5.696 7.582 2.101 1.00 0.00 O ATOM 418 CB VAL A 29 -5.036 5.725 4.912 1.00 0.00 C ATOM 419 CG1 VAL A 29 -4.112 5.071 3.882 1.00 0.00 C ATOM 420 CG2 VAL A 29 -4.364 5.795 6.284 1.00 0.00 C ATOM 0 H VAL A 29 -6.776 7.064 6.091 1.00 0.00 H new ATOM 0 HA VAL A 29 -4.572 7.701 4.310 1.00 0.00 H new ATOM 0 HB VAL A 29 -5.926 5.103 5.007 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.811 4.086 4.237 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.639 4.969 2.933 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -3.227 5.692 3.741 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -4.058 4.795 6.591 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -3.488 6.441 6.227 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -5.066 6.199 7.013 1.00 0.00 H new ATOM 430 N LYS A 30 -7.402 6.507 3.125 1.00 0.00 N ATOM 431 CA LYS A 30 -8.210 6.410 1.921 1.00 0.00 C ATOM 432 C LYS A 30 -8.220 7.764 1.209 1.00 0.00 C ATOM 433 O LYS A 30 -8.430 7.832 -0.001 1.00 0.00 O ATOM 434 CB LYS A 30 -9.606 5.880 2.254 1.00 0.00 C ATOM 435 CG LYS A 30 -10.552 6.042 1.062 1.00 0.00 C ATOM 436 CD LYS A 30 -12.014 5.987 1.511 1.00 0.00 C ATOM 437 CE LYS A 30 -12.774 4.886 0.770 1.00 0.00 C ATOM 438 NZ LYS A 30 -14.195 4.867 1.186 1.00 0.00 N ATOM 0 H LYS A 30 -7.827 6.099 3.958 1.00 0.00 H new ATOM 0 HA LYS A 30 -7.777 5.688 1.228 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -9.543 4.828 2.533 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -10.006 6.414 3.116 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -10.356 6.992 0.564 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -10.362 5.255 0.333 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -12.062 5.807 2.585 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -12.491 6.950 1.328 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -12.706 5.049 -0.306 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -12.316 3.918 0.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -14.697 4.114 0.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -14.255 4.689 2.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -14.633 5.785 0.968 1.00 0.00 H new ATOM 452 N ALA A 31 -7.990 8.810 1.990 1.00 0.00 N ATOM 453 CA ALA A 31 -7.969 10.158 1.449 1.00 0.00 C ATOM 454 C ALA A 31 -6.578 10.457 0.888 1.00 0.00 C ATOM 455 O ALA A 31 -6.420 10.661 -0.315 1.00 0.00 O ATOM 456 CB ALA A 31 -8.385 11.151 2.536 1.00 0.00 C ATOM 0 H ALA A 31 -7.817 8.751 2.993 1.00 0.00 H new ATOM 0 HA ALA A 31 -8.682 10.253 0.630 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.369 12.162 2.130 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -9.392 10.914 2.880 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -7.691 11.085 3.374 1.00 0.00 H new ATOM 462 N MET A 32 -5.603 10.473 1.785 1.00 0.00 N ATOM 463 CA MET A 32 -4.230 10.743 1.395 1.00 0.00 C ATOM 464 C MET A 32 -3.846 9.940 0.150 1.00 0.00 C ATOM 465 O MET A 32 -3.203 10.466 -0.757 1.00 0.00 O ATOM 466 CB MET A 32 -3.291 10.380 2.547 1.00 0.00 C ATOM 467 CG MET A 32 -2.968 8.885 2.540 1.00 0.00 C ATOM 468 SD MET A 32 -1.893 8.487 3.909 1.00 0.00 S ATOM 469 CE MET A 32 -0.747 9.851 3.810 1.00 0.00 C ATOM 0 H MET A 32 -5.737 10.303 2.782 1.00 0.00 H new ATOM 0 HA MET A 32 -4.140 11.804 1.162 1.00 0.00 H new ATOM 0 HB2 MET A 32 -2.369 10.955 2.464 1.00 0.00 H new ATOM 0 HB3 MET A 32 -3.752 10.652 3.496 1.00 0.00 H new ATOM 0 HG2 MET A 32 -3.888 8.305 2.609 1.00 0.00 H new ATOM 0 HG3 MET A 32 -2.489 8.612 1.600 1.00 0.00 H new ATOM 0 HE1 MET A 32 0.144 9.621 4.395 1.00 0.00 H new ATOM 0 HE2 MET A 32 -0.466 10.015 2.770 1.00 0.00 H new ATOM 0 HE3 MET A 32 -1.218 10.751 4.205 1.00 0.00 H new ATOM 479 N ILE A 33 -4.256 8.681 0.148 1.00 0.00 N ATOM 480 CA ILE A 33 -3.963 7.800 -0.970 1.00 0.00 C ATOM 481 C ILE A 33 -4.618 8.355 -2.236 1.00 0.00 C ATOM 482 O ILE A 33 -4.077 8.216 -3.332 1.00 0.00 O ATOM 483 CB ILE A 33 -4.375 6.364 -0.644 1.00 0.00 C ATOM 484 CG1 ILE A 33 -3.556 5.810 0.525 1.00 0.00 C ATOM 485 CG2 ILE A 33 -4.281 5.471 -1.883 1.00 0.00 C ATOM 486 CD1 ILE A 33 -4.193 4.537 1.086 1.00 0.00 C ATOM 0 H ILE A 33 -4.789 8.249 0.903 1.00 0.00 H new ATOM 0 HA ILE A 33 -2.889 7.764 -1.155 1.00 0.00 H new ATOM 0 HB ILE A 33 -5.419 6.372 -0.331 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -2.540 5.597 0.193 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -3.483 6.561 1.311 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -4.579 4.455 -1.623 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.942 5.856 -2.660 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -3.255 5.465 -2.250 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -3.592 4.164 1.915 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -5.200 4.759 1.439 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -4.242 3.779 0.304 1.00 0.00 H new ATOM 498 N GLU A 34 -5.775 8.973 -2.044 1.00 0.00 N ATOM 499 CA GLU A 34 -6.510 9.549 -3.156 1.00 0.00 C ATOM 500 C GLU A 34 -5.912 10.903 -3.543 1.00 0.00 C ATOM 501 O GLU A 34 -5.897 11.266 -4.718 1.00 0.00 O ATOM 502 CB GLU A 34 -7.997 9.682 -2.821 1.00 0.00 C ATOM 503 CG GLU A 34 -8.738 8.370 -3.084 1.00 0.00 C ATOM 504 CD GLU A 34 -10.064 8.624 -3.804 1.00 0.00 C ATOM 505 OE1 GLU A 34 -10.790 9.535 -3.351 1.00 0.00 O ATOM 506 OE2 GLU A 34 -10.321 7.901 -4.791 1.00 0.00 O ATOM 0 H GLU A 34 -6.221 9.087 -1.134 1.00 0.00 H new ATOM 0 HA GLU A 34 -6.423 8.878 -4.010 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -8.114 9.966 -1.775 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -8.438 10.479 -3.419 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -8.114 7.710 -3.686 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -8.925 7.858 -2.140 1.00 0.00 H new ATOM 513 N LYS A 35 -5.433 11.613 -2.532 1.00 0.00 N ATOM 514 CA LYS A 35 -4.835 12.919 -2.752 1.00 0.00 C ATOM 515 C LYS A 35 -3.445 12.742 -3.365 1.00 0.00 C ATOM 516 O LYS A 35 -3.005 13.568 -4.163 1.00 0.00 O ATOM 517 CB LYS A 35 -4.837 13.734 -1.457 1.00 0.00 C ATOM 518 CG LYS A 35 -3.486 13.635 -0.745 1.00 0.00 C ATOM 519 CD LYS A 35 -2.518 14.705 -1.255 1.00 0.00 C ATOM 520 CE LYS A 35 -2.864 16.078 -0.677 1.00 0.00 C ATOM 521 NZ LYS A 35 -1.647 16.912 -0.558 1.00 0.00 N ATOM 0 H LYS A 35 -5.447 11.309 -1.559 1.00 0.00 H new ATOM 0 HA LYS A 35 -5.427 13.494 -3.464 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -5.059 14.778 -1.680 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -5.627 13.374 -0.798 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.628 13.750 0.330 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -3.058 12.646 -0.906 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -1.498 14.438 -0.981 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.555 14.745 -2.344 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -3.592 16.576 -1.318 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -3.329 15.960 0.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -1.900 17.841 -0.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -0.965 16.443 0.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -1.220 17.039 -1.498 1.00 0.00 H new ATOM 535 N LEU A 36 -2.792 11.660 -2.969 1.00 0.00 N ATOM 536 CA LEU A 36 -1.460 11.364 -3.469 1.00 0.00 C ATOM 537 C LEU A 36 -1.549 10.980 -4.948 1.00 0.00 C ATOM 538 O LEU A 36 -0.539 10.956 -5.649 1.00 0.00 O ATOM 539 CB LEU A 36 -0.784 10.303 -2.599 1.00 0.00 C ATOM 540 CG LEU A 36 -0.324 10.765 -1.214 1.00 0.00 C ATOM 541 CD1 LEU A 36 0.055 9.571 -0.336 1.00 0.00 C ATOM 542 CD2 LEU A 36 0.816 11.780 -1.326 1.00 0.00 C ATOM 0 H LEU A 36 -3.160 10.977 -2.307 1.00 0.00 H new ATOM 0 HA LEU A 36 -0.825 12.247 -3.405 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.477 9.471 -2.471 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.082 9.917 -3.138 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.158 11.270 -0.727 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.378 9.927 0.642 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.809 8.918 -0.217 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.867 9.016 -0.807 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.124 12.092 -0.328 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.661 11.323 -1.841 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.475 12.649 -1.889 1.00 0.00 H new ATOM 554 N GLY A 37 -2.768 10.690 -5.378 1.00 0.00 N ATOM 555 CA GLY A 37 -3.003 10.309 -6.760 1.00 0.00 C ATOM 556 C GLY A 37 -3.394 8.833 -6.863 1.00 0.00 C ATOM 557 O GLY A 37 -3.793 8.366 -7.929 1.00 0.00 O ATOM 0 H GLY A 37 -3.604 10.711 -4.793 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -3.794 10.929 -7.182 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -2.105 10.493 -7.349 1.00 0.00 H new ATOM 561 N GLY A 38 -3.266 8.140 -5.741 1.00 0.00 N ATOM 562 CA GLY A 38 -3.601 6.727 -5.692 1.00 0.00 C ATOM 563 C GLY A 38 -5.078 6.526 -5.348 1.00 0.00 C ATOM 564 O GLY A 38 -5.893 7.426 -5.543 1.00 0.00 O ATOM 0 H GLY A 38 -2.935 8.531 -4.859 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -3.382 6.264 -6.654 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -2.979 6.228 -4.949 1.00 0.00 H new ATOM 568 N LYS A 39 -5.379 5.338 -4.843 1.00 0.00 N ATOM 569 CA LYS A 39 -6.743 5.007 -4.470 1.00 0.00 C ATOM 570 C LYS A 39 -6.735 3.781 -3.556 1.00 0.00 C ATOM 571 O LYS A 39 -5.967 2.845 -3.774 1.00 0.00 O ATOM 572 CB LYS A 39 -7.613 4.838 -5.718 1.00 0.00 C ATOM 573 CG LYS A 39 -8.785 3.892 -5.445 1.00 0.00 C ATOM 574 CD LYS A 39 -10.051 4.367 -6.161 1.00 0.00 C ATOM 575 CE LYS A 39 -10.882 3.179 -6.650 1.00 0.00 C ATOM 576 NZ LYS A 39 -11.866 2.776 -5.621 1.00 0.00 N ATOM 0 H LYS A 39 -4.701 4.593 -4.684 1.00 0.00 H new ATOM 0 HA LYS A 39 -7.192 5.823 -3.904 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.991 5.809 -6.036 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -7.009 4.447 -6.537 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -8.530 2.886 -5.778 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -8.969 3.835 -4.372 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -10.648 4.979 -5.485 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -9.780 4.998 -7.007 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -11.399 3.444 -7.572 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -10.226 2.340 -6.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -12.421 1.969 -5.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -11.366 2.503 -4.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -12.503 3.573 -5.419 1.00 0.00 H new ATOM 590 N LEU A 40 -7.597 3.825 -2.551 1.00 0.00 N ATOM 591 CA LEU A 40 -7.698 2.730 -1.602 1.00 0.00 C ATOM 592 C LEU A 40 -8.623 1.652 -2.171 1.00 0.00 C ATOM 593 O LEU A 40 -9.686 1.961 -2.706 1.00 0.00 O ATOM 594 CB LEU A 40 -8.129 3.248 -0.229 1.00 0.00 C ATOM 595 CG LEU A 40 -7.956 2.275 0.940 1.00 0.00 C ATOM 596 CD1 LEU A 40 -7.034 2.863 2.010 1.00 0.00 C ATOM 597 CD2 LEU A 40 -9.313 1.863 1.515 1.00 0.00 C ATOM 0 H LEU A 40 -8.232 4.603 -2.373 1.00 0.00 H new ATOM 0 HA LEU A 40 -6.723 2.267 -1.450 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -7.562 4.153 -0.010 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.179 3.535 -0.284 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.477 1.370 0.565 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.928 2.152 2.829 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.055 3.065 1.576 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.462 3.791 2.388 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -9.162 1.172 2.344 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -9.841 2.748 1.872 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -9.904 1.376 0.739 1.00 0.00 H new ATOM 609 N THR A 41 -8.185 0.409 -2.035 1.00 0.00 N ATOM 610 CA THR A 41 -8.960 -0.716 -2.529 1.00 0.00 C ATOM 611 C THR A 41 -9.209 -1.726 -1.407 1.00 0.00 C ATOM 612 O THR A 41 -8.616 -1.626 -0.334 1.00 0.00 O ATOM 613 CB THR A 41 -8.220 -1.311 -3.729 1.00 0.00 C ATOM 614 OG1 THR A 41 -9.002 -2.445 -4.092 1.00 0.00 O ATOM 615 CG2 THR A 41 -6.862 -1.902 -3.344 1.00 0.00 C ATOM 0 H THR A 41 -7.303 0.156 -1.590 1.00 0.00 H new ATOM 0 HA THR A 41 -9.948 -0.399 -2.863 1.00 0.00 H new ATOM 0 HB THR A 41 -8.079 -0.541 -4.487 1.00 0.00 H new ATOM 0 HG1 THR A 41 -8.604 -2.880 -4.874 1.00 0.00 H new ATOM 0 HG21 THR A 41 -6.378 -2.311 -4.231 1.00 0.00 H new ATOM 0 HG22 THR A 41 -6.234 -1.121 -2.915 1.00 0.00 H new ATOM 0 HG23 THR A 41 -7.005 -2.696 -2.611 1.00 0.00 H new ATOM 623 N GLY A 42 -10.087 -2.676 -1.693 1.00 0.00 N ATOM 624 CA GLY A 42 -10.422 -3.703 -0.721 1.00 0.00 C ATOM 625 C GLY A 42 -9.657 -4.997 -1.006 1.00 0.00 C ATOM 626 O GLY A 42 -9.068 -5.586 -0.102 1.00 0.00 O ATOM 0 H GLY A 42 -10.577 -2.756 -2.584 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -10.186 -3.350 0.283 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -11.494 -3.897 -0.746 1.00 0.00 H new ATOM 630 N THR A 43 -9.693 -5.402 -2.268 1.00 0.00 N ATOM 631 CA THR A 43 -9.011 -6.616 -2.683 1.00 0.00 C ATOM 632 C THR A 43 -7.522 -6.342 -2.906 1.00 0.00 C ATOM 633 O THR A 43 -7.141 -5.237 -3.289 1.00 0.00 O ATOM 634 CB THR A 43 -9.721 -7.156 -3.926 1.00 0.00 C ATOM 635 OG1 THR A 43 -11.102 -7.128 -3.576 1.00 0.00 O ATOM 636 CG2 THR A 43 -9.429 -8.637 -4.170 1.00 0.00 C ATOM 0 H THR A 43 -10.183 -4.911 -3.016 1.00 0.00 H new ATOM 0 HA THR A 43 -9.057 -7.380 -1.907 1.00 0.00 H new ATOM 0 HB THR A 43 -9.416 -6.578 -4.798 1.00 0.00 H new ATOM 0 HG1 THR A 43 -11.637 -7.461 -4.327 1.00 0.00 H new ATOM 0 HG21 THR A 43 -9.957 -8.970 -5.064 1.00 0.00 H new ATOM 0 HG22 THR A 43 -8.357 -8.779 -4.308 1.00 0.00 H new ATOM 0 HG23 THR A 43 -9.764 -9.220 -3.312 1.00 0.00 H new ATOM 644 N ALA A 44 -6.720 -7.367 -2.656 1.00 0.00 N ATOM 645 CA ALA A 44 -5.282 -7.250 -2.824 1.00 0.00 C ATOM 646 C ALA A 44 -4.918 -7.542 -4.281 1.00 0.00 C ATOM 647 O ALA A 44 -4.016 -6.917 -4.837 1.00 0.00 O ATOM 648 CB ALA A 44 -4.575 -8.191 -1.847 1.00 0.00 C ATOM 0 H ALA A 44 -7.039 -8.282 -2.338 1.00 0.00 H new ATOM 0 HA ALA A 44 -4.951 -6.237 -2.598 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -3.496 -8.103 -1.973 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.844 -7.923 -0.825 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -4.881 -9.218 -2.045 1.00 0.00 H new ATOM 654 N ASN A 45 -5.638 -8.493 -4.859 1.00 0.00 N ATOM 655 CA ASN A 45 -5.402 -8.876 -6.240 1.00 0.00 C ATOM 656 C ASN A 45 -5.766 -7.707 -7.158 1.00 0.00 C ATOM 657 O ASN A 45 -5.305 -7.641 -8.297 1.00 0.00 O ATOM 658 CB ASN A 45 -6.267 -10.075 -6.635 1.00 0.00 C ATOM 659 CG ASN A 45 -5.399 -11.287 -6.981 1.00 0.00 C ATOM 660 OD1 ASN A 45 -5.163 -11.605 -8.135 1.00 0.00 O ATOM 661 ND2 ASN A 45 -4.940 -11.943 -5.919 1.00 0.00 N ATOM 0 H ASN A 45 -6.385 -9.010 -4.395 1.00 0.00 H new ATOM 0 HA ASN A 45 -4.350 -9.142 -6.341 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -6.941 -10.328 -5.816 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -6.889 -9.813 -7.491 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -4.352 -12.767 -6.044 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -5.176 -11.622 -4.980 1.00 0.00 H new ATOM 668 N LYS A 46 -6.589 -6.815 -6.628 1.00 0.00 N ATOM 669 CA LYS A 46 -7.021 -5.652 -7.386 1.00 0.00 C ATOM 670 C LYS A 46 -6.411 -4.392 -6.768 1.00 0.00 C ATOM 671 O LYS A 46 -7.086 -3.373 -6.635 1.00 0.00 O ATOM 672 CB LYS A 46 -8.547 -5.612 -7.483 1.00 0.00 C ATOM 673 CG LYS A 46 -9.074 -6.786 -8.312 1.00 0.00 C ATOM 674 CD LYS A 46 -9.580 -7.912 -7.409 1.00 0.00 C ATOM 675 CE LYS A 46 -10.646 -8.748 -8.120 1.00 0.00 C ATOM 676 NZ LYS A 46 -10.083 -9.383 -9.333 1.00 0.00 N ATOM 0 H LYS A 46 -6.968 -6.873 -5.683 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.661 -5.711 -8.413 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -8.980 -5.645 -6.483 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -8.862 -4.672 -7.936 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -9.881 -6.445 -8.960 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -8.282 -7.163 -8.960 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -8.747 -8.551 -7.117 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -9.994 -7.490 -6.493 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -11.026 -9.514 -7.444 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -11.491 -8.115 -8.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -10.754 -10.088 -9.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -9.914 -8.657 -10.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -9.185 -9.850 -9.095 1.00 0.00 H new ATOM 690 N ALA A 47 -5.141 -4.503 -6.408 1.00 0.00 N ATOM 691 CA ALA A 47 -4.432 -3.385 -5.808 1.00 0.00 C ATOM 692 C ALA A 47 -3.064 -3.237 -6.476 1.00 0.00 C ATOM 693 O ALA A 47 -2.558 -4.181 -7.080 1.00 0.00 O ATOM 694 CB ALA A 47 -4.324 -3.601 -4.298 1.00 0.00 C ATOM 0 H ALA A 47 -4.584 -5.350 -6.520 1.00 0.00 H new ATOM 0 HA ALA A 47 -4.978 -2.455 -5.966 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -3.792 -2.763 -3.848 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -5.323 -3.670 -3.868 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.779 -4.524 -4.101 1.00 0.00 H new ATOM 700 N SER A 48 -2.503 -2.044 -6.344 1.00 0.00 N ATOM 701 CA SER A 48 -1.203 -1.759 -6.927 1.00 0.00 C ATOM 702 C SER A 48 -0.117 -1.845 -5.852 1.00 0.00 C ATOM 703 O SER A 48 1.035 -2.153 -6.152 1.00 0.00 O ATOM 704 CB SER A 48 -1.185 -0.380 -7.590 1.00 0.00 C ATOM 705 OG SER A 48 -2.303 -0.189 -8.452 1.00 0.00 O ATOM 0 H SER A 48 -2.925 -1.263 -5.842 1.00 0.00 H new ATOM 0 HA SER A 48 -1.004 -2.504 -7.697 1.00 0.00 H new ATOM 0 HB2 SER A 48 -1.184 0.392 -6.821 1.00 0.00 H new ATOM 0 HB3 SER A 48 -0.263 -0.264 -8.160 1.00 0.00 H new ATOM 0 HG SER A 48 -2.054 0.417 -9.181 1.00 0.00 H new ATOM 711 N LEU A 49 -0.524 -1.568 -4.622 1.00 0.00 N ATOM 712 CA LEU A 49 0.400 -1.610 -3.501 1.00 0.00 C ATOM 713 C LEU A 49 -0.360 -2.011 -2.235 1.00 0.00 C ATOM 714 O LEU A 49 -1.586 -1.925 -2.189 1.00 0.00 O ATOM 715 CB LEU A 49 1.149 -0.282 -3.374 1.00 0.00 C ATOM 716 CG LEU A 49 1.839 -0.027 -2.033 1.00 0.00 C ATOM 717 CD1 LEU A 49 3.048 -0.947 -1.854 1.00 0.00 C ATOM 718 CD2 LEU A 49 2.214 1.449 -1.881 1.00 0.00 C ATOM 0 H LEU A 49 -1.481 -1.314 -4.377 1.00 0.00 H new ATOM 0 HA LEU A 49 1.167 -2.367 -3.667 1.00 0.00 H new ATOM 0 HB2 LEU A 49 1.901 -0.235 -4.162 1.00 0.00 H new ATOM 0 HB3 LEU A 49 0.444 0.529 -3.557 1.00 0.00 H new ATOM 0 HG LEU A 49 1.134 -0.264 -1.236 1.00 0.00 H new ATOM 0 HD11 LEU A 49 3.520 -0.745 -0.893 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.722 -1.987 -1.887 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.765 -0.766 -2.655 1.00 0.00 H new ATOM 0 HD21 LEU A 49 2.703 1.603 -0.919 1.00 0.00 H new ATOM 0 HD22 LEU A 49 2.893 1.736 -2.684 1.00 0.00 H new ATOM 0 HD23 LEU A 49 1.313 2.060 -1.932 1.00 0.00 H new ATOM 730 N CYS A 50 0.400 -2.440 -1.238 1.00 0.00 N ATOM 731 CA CYS A 50 -0.186 -2.854 0.025 1.00 0.00 C ATOM 732 C CYS A 50 0.493 -2.070 1.150 1.00 0.00 C ATOM 733 O CYS A 50 1.685 -1.777 1.075 1.00 0.00 O ATOM 734 CB CYS A 50 -0.070 -4.366 0.233 1.00 0.00 C ATOM 735 SG CYS A 50 -1.003 -4.865 1.727 1.00 0.00 S ATOM 0 H CYS A 50 1.417 -2.510 -1.280 1.00 0.00 H new ATOM 0 HA CYS A 50 -1.254 -2.634 0.023 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -0.456 -4.892 -0.640 1.00 0.00 H new ATOM 0 HB3 CYS A 50 0.978 -4.648 0.337 1.00 0.00 H new ATOM 0 HG CYS A 50 -0.731 -6.103 2.015 1.00 0.00 H new ATOM 741 N ILE A 51 -0.296 -1.752 2.166 1.00 0.00 N ATOM 742 CA ILE A 51 0.214 -1.007 3.304 1.00 0.00 C ATOM 743 C ILE A 51 -0.189 -1.720 4.597 1.00 0.00 C ATOM 744 O ILE A 51 -1.277 -1.491 5.122 1.00 0.00 O ATOM 745 CB ILE A 51 -0.243 0.452 3.238 1.00 0.00 C ATOM 746 CG1 ILE A 51 0.310 1.143 1.991 1.00 0.00 C ATOM 747 CG2 ILE A 51 0.127 1.200 4.520 1.00 0.00 C ATOM 748 CD1 ILE A 51 -0.090 2.620 1.959 1.00 0.00 C ATOM 0 H ILE A 51 -1.284 -1.997 2.225 1.00 0.00 H new ATOM 0 HA ILE A 51 1.303 -0.977 3.282 1.00 0.00 H new ATOM 0 HB ILE A 51 -1.330 0.467 3.159 1.00 0.00 H new ATOM 0 HG12 ILE A 51 1.396 1.056 1.975 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -0.063 0.642 1.098 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -0.209 2.234 4.447 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -0.355 0.721 5.373 1.00 0.00 H new ATOM 0 HG23 ILE A 51 1.208 1.178 4.655 1.00 0.00 H new ATOM 0 HD11 ILE A 51 0.316 3.088 1.062 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -1.177 2.703 1.951 1.00 0.00 H new ATOM 0 HD13 ILE A 51 0.305 3.123 2.841 1.00 0.00 H new ATOM 760 N SER A 52 0.709 -2.571 5.071 1.00 0.00 N ATOM 761 CA SER A 52 0.460 -3.318 6.292 1.00 0.00 C ATOM 762 C SER A 52 1.643 -3.165 7.250 1.00 0.00 C ATOM 763 O SER A 52 2.545 -2.365 7.005 1.00 0.00 O ATOM 764 CB SER A 52 0.210 -4.797 5.990 1.00 0.00 C ATOM 765 OG SER A 52 -0.626 -5.408 6.969 1.00 0.00 O ATOM 0 H SER A 52 1.610 -2.760 4.632 1.00 0.00 H new ATOM 0 HA SER A 52 -0.436 -2.914 6.764 1.00 0.00 H new ATOM 0 HB2 SER A 52 -0.252 -4.893 5.008 1.00 0.00 H new ATOM 0 HB3 SER A 52 1.163 -5.324 5.947 1.00 0.00 H new ATOM 0 HG SER A 52 -1.176 -4.723 7.403 1.00 0.00 H new ATOM 771 N THR A 53 1.601 -3.944 8.321 1.00 0.00 N ATOM 772 CA THR A 53 2.658 -3.904 9.317 1.00 0.00 C ATOM 773 C THR A 53 3.465 -5.204 9.290 1.00 0.00 C ATOM 774 O THR A 53 3.125 -6.135 8.561 1.00 0.00 O ATOM 775 CB THR A 53 2.017 -3.614 10.675 1.00 0.00 C ATOM 776 OG1 THR A 53 1.353 -4.829 11.012 1.00 0.00 O ATOM 777 CG2 THR A 53 0.889 -2.585 10.583 1.00 0.00 C ATOM 0 H THR A 53 0.852 -4.606 8.521 1.00 0.00 H new ATOM 0 HA THR A 53 3.373 -3.110 9.104 1.00 0.00 H new ATOM 0 HB THR A 53 2.779 -3.255 11.367 1.00 0.00 H new ATOM 0 HG1 THR A 53 0.911 -4.730 11.881 1.00 0.00 H new ATOM 0 HG21 THR A 53 0.469 -2.416 11.574 1.00 0.00 H new ATOM 0 HG22 THR A 53 1.283 -1.647 10.191 1.00 0.00 H new ATOM 0 HG23 THR A 53 0.110 -2.957 9.918 1.00 0.00 H new ATOM 785 N LYS A 54 4.517 -5.227 10.094 1.00 0.00 N ATOM 786 CA LYS A 54 5.375 -6.397 10.173 1.00 0.00 C ATOM 787 C LYS A 54 4.562 -7.586 10.690 1.00 0.00 C ATOM 788 O LYS A 54 4.693 -8.699 10.185 1.00 0.00 O ATOM 789 CB LYS A 54 6.621 -6.094 11.007 1.00 0.00 C ATOM 790 CG LYS A 54 7.340 -7.384 11.408 1.00 0.00 C ATOM 791 CD LYS A 54 8.827 -7.316 11.054 1.00 0.00 C ATOM 792 CE LYS A 54 9.039 -7.475 9.547 1.00 0.00 C ATOM 793 NZ LYS A 54 8.897 -8.894 9.151 1.00 0.00 N ATOM 0 H LYS A 54 4.795 -4.453 10.697 1.00 0.00 H new ATOM 0 HA LYS A 54 5.742 -6.667 9.183 1.00 0.00 H new ATOM 0 HB2 LYS A 54 7.298 -5.458 10.437 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.338 -5.538 11.901 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.225 -7.551 12.479 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.881 -8.233 10.902 1.00 0.00 H new ATOM 0 HD2 LYS A 54 9.240 -6.363 11.385 1.00 0.00 H new ATOM 0 HD3 LYS A 54 9.367 -8.099 11.586 1.00 0.00 H new ATOM 0 HE2 LYS A 54 8.315 -6.866 9.006 1.00 0.00 H new ATOM 0 HE3 LYS A 54 10.030 -7.112 9.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 9.192 -9.009 8.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 9.496 -9.486 9.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 7.904 -9.185 9.253 1.00 0.00 H new ATOM 807 N LYS A 55 3.741 -7.308 11.692 1.00 0.00 N ATOM 808 CA LYS A 55 2.907 -8.341 12.284 1.00 0.00 C ATOM 809 C LYS A 55 2.081 -9.014 11.186 1.00 0.00 C ATOM 810 O LYS A 55 2.130 -10.233 11.027 1.00 0.00 O ATOM 811 CB LYS A 55 2.063 -7.761 13.421 1.00 0.00 C ATOM 812 CG LYS A 55 2.152 -8.638 14.672 1.00 0.00 C ATOM 813 CD LYS A 55 1.605 -7.903 15.897 1.00 0.00 C ATOM 814 CE LYS A 55 2.042 -8.593 17.191 1.00 0.00 C ATOM 815 NZ LYS A 55 1.492 -7.884 18.367 1.00 0.00 N ATOM 0 H LYS A 55 3.635 -6.383 12.109 1.00 0.00 H new ATOM 0 HA LYS A 55 3.524 -9.116 12.739 1.00 0.00 H new ATOM 0 HB2 LYS A 55 2.405 -6.753 13.654 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.024 -7.680 13.102 1.00 0.00 H new ATOM 0 HG2 LYS A 55 1.591 -9.559 14.515 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.189 -8.923 14.848 1.00 0.00 H new ATOM 0 HD2 LYS A 55 1.957 -6.871 15.894 1.00 0.00 H new ATOM 0 HD3 LYS A 55 0.517 -7.868 15.849 1.00 0.00 H new ATOM 0 HE2 LYS A 55 1.701 -9.628 17.191 1.00 0.00 H new ATOM 0 HE3 LYS A 55 3.130 -8.615 17.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 1.798 -8.365 19.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 1.838 -6.903 18.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 0.453 -7.885 18.318 1.00 0.00 H new ATOM 829 N GLU A 56 1.341 -8.191 10.458 1.00 0.00 N ATOM 830 CA GLU A 56 0.505 -8.692 9.380 1.00 0.00 C ATOM 831 C GLU A 56 1.327 -9.572 8.436 1.00 0.00 C ATOM 832 O GLU A 56 1.098 -10.777 8.348 1.00 0.00 O ATOM 833 CB GLU A 56 -0.157 -7.542 8.619 1.00 0.00 C ATOM 834 CG GLU A 56 -1.682 -7.644 8.690 1.00 0.00 C ATOM 835 CD GLU A 56 -2.176 -7.483 10.129 1.00 0.00 C ATOM 836 OE1 GLU A 56 -1.773 -6.482 10.759 1.00 0.00 O ATOM 837 OE2 GLU A 56 -2.946 -8.365 10.566 1.00 0.00 O ATOM 0 H GLU A 56 1.303 -7.181 10.593 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.288 -9.300 9.815 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.167 -6.589 9.038 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.164 -7.558 7.577 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.131 -6.877 8.060 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.004 -8.608 8.297 1.00 0.00 H new ATOM 844 N VAL A 57 2.267 -8.935 7.753 1.00 0.00 N ATOM 845 CA VAL A 57 3.125 -9.644 6.819 1.00 0.00 C ATOM 846 C VAL A 57 3.655 -10.916 7.485 1.00 0.00 C ATOM 847 O VAL A 57 3.876 -11.925 6.817 1.00 0.00 O ATOM 848 CB VAL A 57 4.239 -8.719 6.325 1.00 0.00 C ATOM 849 CG1 VAL A 57 5.179 -9.456 5.369 1.00 0.00 C ATOM 850 CG2 VAL A 57 3.659 -7.466 5.667 1.00 0.00 C ATOM 0 H VAL A 57 2.453 -7.935 7.828 1.00 0.00 H new ATOM 0 HA VAL A 57 2.560 -9.949 5.938 1.00 0.00 H new ATOM 0 HB VAL A 57 4.822 -8.403 7.190 1.00 0.00 H new ATOM 0 HG11 VAL A 57 5.962 -8.776 5.032 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.631 -10.303 5.884 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.615 -9.814 4.508 1.00 0.00 H new ATOM 0 HG21 VAL A 57 4.472 -6.825 5.325 1.00 0.00 H new ATOM 0 HG22 VAL A 57 3.041 -7.754 4.816 1.00 0.00 H new ATOM 0 HG23 VAL A 57 3.050 -6.924 6.390 1.00 0.00 H new ATOM 860 N GLU A 58 3.844 -10.826 8.793 1.00 0.00 N ATOM 861 CA GLU A 58 4.343 -11.957 9.556 1.00 0.00 C ATOM 862 C GLU A 58 3.279 -13.053 9.641 1.00 0.00 C ATOM 863 O GLU A 58 3.601 -14.239 9.616 1.00 0.00 O ATOM 864 CB GLU A 58 4.793 -11.520 10.952 1.00 0.00 C ATOM 865 CG GLU A 58 6.307 -11.305 10.998 1.00 0.00 C ATOM 866 CD GLU A 58 6.823 -11.337 12.438 1.00 0.00 C ATOM 867 OE1 GLU A 58 6.875 -12.454 12.997 1.00 0.00 O ATOM 868 OE2 GLU A 58 7.152 -10.245 12.948 1.00 0.00 O ATOM 0 H GLU A 58 3.661 -9.987 9.344 1.00 0.00 H new ATOM 0 HA GLU A 58 5.213 -12.363 9.039 1.00 0.00 H new ATOM 0 HB2 GLU A 58 4.283 -10.598 11.230 1.00 0.00 H new ATOM 0 HB3 GLU A 58 4.507 -12.276 11.683 1.00 0.00 H new ATOM 0 HG2 GLU A 58 6.805 -12.078 10.412 1.00 0.00 H new ATOM 0 HG3 GLU A 58 6.556 -10.348 10.540 1.00 0.00 H new ATOM 875 N LYS A 59 2.032 -12.615 9.740 1.00 0.00 N ATOM 876 CA LYS A 59 0.918 -13.544 9.828 1.00 0.00 C ATOM 877 C LYS A 59 0.822 -14.344 8.528 1.00 0.00 C ATOM 878 O LYS A 59 0.701 -15.568 8.555 1.00 0.00 O ATOM 879 CB LYS A 59 -0.370 -12.802 10.190 1.00 0.00 C ATOM 880 CG LYS A 59 -0.586 -12.786 11.705 1.00 0.00 C ATOM 881 CD LYS A 59 -0.366 -11.383 12.275 1.00 0.00 C ATOM 882 CE LYS A 59 -1.220 -11.159 13.525 1.00 0.00 C ATOM 883 NZ LYS A 59 -1.352 -9.713 13.810 1.00 0.00 N ATOM 0 H LYS A 59 1.769 -11.630 9.761 1.00 0.00 H new ATOM 0 HA LYS A 59 1.083 -14.261 10.632 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -0.323 -11.780 9.815 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -1.219 -13.281 9.703 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -1.597 -13.122 11.935 1.00 0.00 H new ATOM 0 HG3 LYS A 59 0.099 -13.488 12.181 1.00 0.00 H new ATOM 0 HD2 LYS A 59 0.687 -11.247 12.521 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -0.616 -10.637 11.521 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -2.207 -11.599 13.382 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -0.766 -11.664 14.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -1.770 -9.582 14.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -0.413 -9.267 13.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -1.966 -9.273 13.095 1.00 0.00 H new ATOM 897 N MET A 60 0.880 -13.620 7.419 1.00 0.00 N ATOM 898 CA MET A 60 0.801 -14.247 6.111 1.00 0.00 C ATOM 899 C MET A 60 -0.556 -14.925 5.909 1.00 0.00 C ATOM 900 O MET A 60 -0.641 -15.975 5.274 1.00 0.00 O ATOM 901 CB MET A 60 1.916 -15.286 5.975 1.00 0.00 C ATOM 902 CG MET A 60 3.165 -14.670 5.343 1.00 0.00 C ATOM 903 SD MET A 60 3.103 -14.848 3.568 1.00 0.00 S ATOM 904 CE MET A 60 2.316 -13.307 3.129 1.00 0.00 C ATOM 0 H MET A 60 0.981 -12.605 7.400 1.00 0.00 H new ATOM 0 HA MET A 60 0.917 -13.475 5.351 1.00 0.00 H new ATOM 0 HB2 MET A 60 2.163 -15.691 6.957 1.00 0.00 H new ATOM 0 HB3 MET A 60 1.569 -16.120 5.365 1.00 0.00 H new ATOM 0 HG2 MET A 60 3.234 -13.615 5.609 1.00 0.00 H new ATOM 0 HG3 MET A 60 4.058 -15.157 5.734 1.00 0.00 H new ATOM 0 HE1 MET A 60 2.585 -13.040 2.107 1.00 0.00 H new ATOM 0 HE2 MET A 60 1.234 -13.417 3.203 1.00 0.00 H new ATOM 0 HE3 MET A 60 2.648 -12.522 3.809 1.00 0.00 H new ATOM 914 N ASN A 61 -1.584 -14.296 6.461 1.00 0.00 N ATOM 915 CA ASN A 61 -2.932 -14.825 6.349 1.00 0.00 C ATOM 916 C ASN A 61 -3.388 -14.744 4.890 1.00 0.00 C ATOM 917 O ASN A 61 -2.577 -14.512 3.995 1.00 0.00 O ATOM 918 CB ASN A 61 -3.914 -14.014 7.196 1.00 0.00 C ATOM 919 CG ASN A 61 -4.718 -14.925 8.126 1.00 0.00 C ATOM 920 OD1 ASN A 61 -4.266 -15.975 8.552 1.00 0.00 O ATOM 921 ND2 ASN A 61 -5.932 -14.465 8.418 1.00 0.00 N ATOM 0 H ASN A 61 -1.510 -13.425 6.987 1.00 0.00 H new ATOM 0 HA ASN A 61 -2.919 -15.857 6.700 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -3.369 -13.277 7.785 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -4.593 -13.463 6.545 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -6.546 -15.000 9.033 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -6.249 -13.578 8.027 1.00 0.00 H new ATOM 928 N LYS A 62 -4.684 -14.940 4.697 1.00 0.00 N ATOM 929 CA LYS A 62 -5.257 -14.892 3.362 1.00 0.00 C ATOM 930 C LYS A 62 -5.103 -13.479 2.796 1.00 0.00 C ATOM 931 O LYS A 62 -4.503 -13.292 1.739 1.00 0.00 O ATOM 932 CB LYS A 62 -6.703 -15.392 3.382 1.00 0.00 C ATOM 933 CG LYS A 62 -6.760 -16.911 3.208 1.00 0.00 C ATOM 934 CD LYS A 62 -6.248 -17.625 4.460 1.00 0.00 C ATOM 935 CE LYS A 62 -5.980 -19.105 4.176 1.00 0.00 C ATOM 936 NZ LYS A 62 -7.093 -19.939 4.682 1.00 0.00 N ATOM 0 H LYS A 62 -5.353 -15.132 5.442 1.00 0.00 H new ATOM 0 HA LYS A 62 -4.720 -15.564 2.692 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -7.175 -15.112 4.324 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -7.270 -14.910 2.585 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -7.785 -17.219 3.003 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -6.160 -17.205 2.346 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -5.333 -17.146 4.807 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -6.981 -17.532 5.262 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -5.860 -19.260 3.104 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -5.046 -19.409 4.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -6.896 -20.940 4.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -7.189 -19.804 5.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -7.978 -19.660 4.212 1.00 0.00 H new ATOM 950 N LYS A 63 -5.654 -12.520 3.526 1.00 0.00 N ATOM 951 CA LYS A 63 -5.585 -11.129 3.109 1.00 0.00 C ATOM 952 C LYS A 63 -4.143 -10.786 2.730 1.00 0.00 C ATOM 953 O LYS A 63 -3.907 -9.896 1.914 1.00 0.00 O ATOM 954 CB LYS A 63 -6.170 -10.217 4.189 1.00 0.00 C ATOM 955 CG LYS A 63 -7.694 -10.343 4.246 1.00 0.00 C ATOM 956 CD LYS A 63 -8.355 -8.965 4.329 1.00 0.00 C ATOM 957 CE LYS A 63 -8.831 -8.671 5.753 1.00 0.00 C ATOM 958 NZ LYS A 63 -10.304 -8.529 5.789 1.00 0.00 N ATOM 0 H LYS A 63 -6.150 -12.678 4.403 1.00 0.00 H new ATOM 0 HA LYS A 63 -6.196 -10.966 2.221 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.744 -10.475 5.158 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -5.894 -9.182 3.985 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -8.052 -10.870 3.361 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -7.981 -10.941 5.111 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -7.648 -8.199 4.013 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -9.201 -8.921 3.643 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -8.521 -9.476 6.420 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -8.363 -7.757 6.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -10.610 -8.330 6.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -10.593 -7.746 5.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -10.746 -9.411 5.461 1.00 0.00 H new ATOM 972 N MET A 64 -3.216 -11.510 3.340 1.00 0.00 N ATOM 973 CA MET A 64 -1.804 -11.294 3.076 1.00 0.00 C ATOM 974 C MET A 64 -1.287 -12.271 2.018 1.00 0.00 C ATOM 975 O MET A 64 -0.257 -12.026 1.392 1.00 0.00 O ATOM 976 CB MET A 64 -1.009 -11.476 4.370 1.00 0.00 C ATOM 977 CG MET A 64 0.392 -10.874 4.243 1.00 0.00 C ATOM 978 SD MET A 64 0.277 -9.131 3.874 1.00 0.00 S ATOM 979 CE MET A 64 -0.328 -8.522 5.439 1.00 0.00 C ATOM 0 H MET A 64 -3.416 -12.247 4.016 1.00 0.00 H new ATOM 0 HA MET A 64 -1.676 -10.279 2.699 1.00 0.00 H new ATOM 0 HB2 MET A 64 -1.539 -11.002 5.196 1.00 0.00 H new ATOM 0 HB3 MET A 64 -0.932 -12.537 4.608 1.00 0.00 H new ATOM 0 HG2 MET A 64 0.946 -11.022 5.170 1.00 0.00 H new ATOM 0 HG3 MET A 64 0.946 -11.385 3.456 1.00 0.00 H new ATOM 0 HE1 MET A 64 -1.162 -7.842 5.267 1.00 0.00 H new ATOM 0 HE2 MET A 64 -0.663 -9.360 6.051 1.00 0.00 H new ATOM 0 HE3 MET A 64 0.471 -7.992 5.957 1.00 0.00 H new ATOM 989 N GLU A 65 -2.027 -13.357 1.851 1.00 0.00 N ATOM 990 CA GLU A 65 -1.656 -14.372 0.879 1.00 0.00 C ATOM 991 C GLU A 65 -1.913 -13.866 -0.542 1.00 0.00 C ATOM 992 O GLU A 65 -1.143 -14.157 -1.456 1.00 0.00 O ATOM 993 CB GLU A 65 -2.407 -15.680 1.139 1.00 0.00 C ATOM 994 CG GLU A 65 -3.669 -15.767 0.279 1.00 0.00 C ATOM 995 CD GLU A 65 -4.242 -17.186 0.288 1.00 0.00 C ATOM 996 OE1 GLU A 65 -3.974 -17.900 1.279 1.00 0.00 O ATOM 997 OE2 GLU A 65 -4.936 -17.525 -0.695 1.00 0.00 O ATOM 0 H GLU A 65 -2.881 -13.556 2.372 1.00 0.00 H new ATOM 0 HA GLU A 65 -0.590 -14.575 0.984 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -1.756 -16.527 0.922 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -2.676 -15.746 2.193 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -4.416 -15.067 0.652 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -3.437 -15.471 -0.744 1.00 0.00 H new ATOM 1004 N GLU A 66 -2.996 -13.116 -0.682 1.00 0.00 N ATOM 1005 CA GLU A 66 -3.363 -12.567 -1.976 1.00 0.00 C ATOM 1006 C GLU A 66 -2.290 -11.591 -2.462 1.00 0.00 C ATOM 1007 O GLU A 66 -1.974 -11.551 -3.650 1.00 0.00 O ATOM 1008 CB GLU A 66 -4.733 -11.888 -1.914 1.00 0.00 C ATOM 1009 CG GLU A 66 -5.805 -12.861 -1.419 1.00 0.00 C ATOM 1010 CD GLU A 66 -6.283 -13.772 -2.551 1.00 0.00 C ATOM 1011 OE1 GLU A 66 -7.169 -13.320 -3.309 1.00 0.00 O ATOM 1012 OE2 GLU A 66 -5.752 -14.901 -2.634 1.00 0.00 O ATOM 0 H GLU A 66 -3.631 -12.876 0.079 1.00 0.00 H new ATOM 0 HA GLU A 66 -3.431 -13.387 -2.691 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -4.685 -11.025 -1.250 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.003 -11.515 -2.902 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -5.405 -13.466 -0.605 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -6.650 -12.303 -1.015 1.00 0.00 H new ATOM 1019 N VAL A 67 -1.757 -10.828 -1.519 1.00 0.00 N ATOM 1020 CA VAL A 67 -0.726 -9.856 -1.836 1.00 0.00 C ATOM 1021 C VAL A 67 0.545 -10.589 -2.269 1.00 0.00 C ATOM 1022 O VAL A 67 1.273 -10.116 -3.140 1.00 0.00 O ATOM 1023 CB VAL A 67 -0.501 -8.923 -0.644 1.00 0.00 C ATOM 1024 CG1 VAL A 67 0.550 -7.860 -0.970 1.00 0.00 C ATOM 1025 CG2 VAL A 67 -1.814 -8.277 -0.198 1.00 0.00 C ATOM 0 H VAL A 67 -2.021 -10.864 -0.534 1.00 0.00 H new ATOM 0 HA VAL A 67 -1.039 -9.227 -2.670 1.00 0.00 H new ATOM 0 HB VAL A 67 -0.124 -9.523 0.184 1.00 0.00 H new ATOM 0 HG11 VAL A 67 0.691 -7.210 -0.106 1.00 0.00 H new ATOM 0 HG12 VAL A 67 1.494 -8.346 -1.216 1.00 0.00 H new ATOM 0 HG13 VAL A 67 0.215 -7.266 -1.820 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -1.626 -7.619 0.650 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -2.232 -7.698 -1.021 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -2.521 -9.054 0.095 1.00 0.00 H new ATOM 1035 N LYS A 68 0.773 -11.734 -1.641 1.00 0.00 N ATOM 1036 CA LYS A 68 1.943 -12.537 -1.950 1.00 0.00 C ATOM 1037 C LYS A 68 1.781 -13.151 -3.343 1.00 0.00 C ATOM 1038 O LYS A 68 2.767 -13.384 -4.040 1.00 0.00 O ATOM 1039 CB LYS A 68 2.190 -13.570 -0.849 1.00 0.00 C ATOM 1040 CG LYS A 68 3.494 -14.333 -1.094 1.00 0.00 C ATOM 1041 CD LYS A 68 4.155 -14.728 0.227 1.00 0.00 C ATOM 1042 CE LYS A 68 5.623 -15.102 0.015 1.00 0.00 C ATOM 1043 NZ LYS A 68 5.740 -16.213 -0.956 1.00 0.00 N ATOM 0 H LYS A 68 0.167 -12.124 -0.920 1.00 0.00 H new ATOM 0 HA LYS A 68 2.837 -11.913 -1.977 1.00 0.00 H new ATOM 0 HB2 LYS A 68 2.233 -13.071 0.119 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.356 -14.271 -0.810 1.00 0.00 H new ATOM 0 HG2 LYS A 68 3.291 -15.226 -1.685 1.00 0.00 H new ATOM 0 HG3 LYS A 68 4.177 -13.715 -1.676 1.00 0.00 H new ATOM 0 HD2 LYS A 68 4.085 -13.902 0.934 1.00 0.00 H new ATOM 0 HD3 LYS A 68 3.621 -15.570 0.667 1.00 0.00 H new ATOM 0 HE2 LYS A 68 6.177 -14.235 -0.347 1.00 0.00 H new ATOM 0 HE3 LYS A 68 6.071 -15.393 0.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 6.722 -16.556 -0.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 5.108 -16.989 -0.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 5.473 -15.876 -1.903 1.00 0.00 H new ATOM 1057 N GLU A 69 0.531 -13.394 -3.706 1.00 0.00 N ATOM 1058 CA GLU A 69 0.227 -13.976 -5.002 1.00 0.00 C ATOM 1059 C GLU A 69 0.426 -12.938 -6.109 1.00 0.00 C ATOM 1060 O GLU A 69 0.964 -13.252 -7.170 1.00 0.00 O ATOM 1061 CB GLU A 69 -1.194 -14.542 -5.030 1.00 0.00 C ATOM 1062 CG GLU A 69 -1.465 -15.403 -3.795 1.00 0.00 C ATOM 1063 CD GLU A 69 -1.909 -16.812 -4.195 1.00 0.00 C ATOM 1064 OE1 GLU A 69 -3.053 -16.929 -4.684 1.00 0.00 O ATOM 1065 OE2 GLU A 69 -1.094 -17.740 -4.003 1.00 0.00 O ATOM 0 H GLU A 69 -0.284 -13.198 -3.125 1.00 0.00 H new ATOM 0 HA GLU A 69 0.915 -14.803 -5.178 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -1.914 -13.725 -5.073 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.334 -15.138 -5.932 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -0.565 -15.462 -3.183 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.236 -14.935 -3.183 1.00 0.00 H new ATOM 1072 N ALA A 70 -0.020 -11.723 -5.824 1.00 0.00 N ATOM 1073 CA ALA A 70 0.102 -10.638 -6.782 1.00 0.00 C ATOM 1074 C ALA A 70 1.449 -9.938 -6.585 1.00 0.00 C ATOM 1075 O ALA A 70 1.666 -8.844 -7.104 1.00 0.00 O ATOM 1076 CB ALA A 70 -1.081 -9.681 -6.622 1.00 0.00 C ATOM 0 H ALA A 70 -0.466 -11.467 -4.943 1.00 0.00 H new ATOM 0 HA ALA A 70 0.076 -11.022 -7.802 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.990 -8.867 -7.341 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -2.012 -10.220 -6.800 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -1.085 -9.274 -5.611 1.00 0.00 H new ATOM 1082 N ASN A 71 2.318 -10.599 -5.834 1.00 0.00 N ATOM 1083 CA ASN A 71 3.638 -10.054 -5.563 1.00 0.00 C ATOM 1084 C ASN A 71 3.524 -8.546 -5.331 1.00 0.00 C ATOM 1085 O ASN A 71 4.269 -7.766 -5.922 1.00 0.00 O ATOM 1086 CB ASN A 71 4.582 -10.281 -6.745 1.00 0.00 C ATOM 1087 CG ASN A 71 5.982 -10.666 -6.263 1.00 0.00 C ATOM 1088 OD1 ASN A 71 6.156 -11.438 -5.335 1.00 0.00 O ATOM 1089 ND2 ASN A 71 6.966 -10.087 -6.944 1.00 0.00 N ATOM 0 H ASN A 71 2.134 -11.506 -5.405 1.00 0.00 H new ATOM 0 HA ASN A 71 4.036 -10.558 -4.683 1.00 0.00 H new ATOM 0 HB2 ASN A 71 4.185 -11.068 -7.386 1.00 0.00 H new ATOM 0 HB3 ASN A 71 4.638 -9.376 -7.349 1.00 0.00 H new ATOM 0 HD21 ASN A 71 7.937 -10.280 -6.700 1.00 0.00 H new ATOM 0 HD22 ASN A 71 6.750 -9.450 -7.711 1.00 0.00 H new ATOM 1096 N ILE A 72 2.586 -8.181 -4.469 1.00 0.00 N ATOM 1097 CA ILE A 72 2.366 -6.780 -4.152 1.00 0.00 C ATOM 1098 C ILE A 72 3.198 -6.403 -2.924 1.00 0.00 C ATOM 1099 O ILE A 72 2.870 -6.793 -1.805 1.00 0.00 O ATOM 1100 CB ILE A 72 0.871 -6.496 -3.993 1.00 0.00 C ATOM 1101 CG1 ILE A 72 0.125 -6.736 -5.307 1.00 0.00 C ATOM 1102 CG2 ILE A 72 0.636 -5.085 -3.450 1.00 0.00 C ATOM 1103 CD1 ILE A 72 -1.382 -6.537 -5.126 1.00 0.00 C ATOM 0 H ILE A 72 1.970 -8.831 -3.981 1.00 0.00 H new ATOM 0 HA ILE A 72 2.702 -6.146 -4.972 1.00 0.00 H new ATOM 0 HB ILE A 72 0.466 -7.194 -3.261 1.00 0.00 H new ATOM 0 HG12 ILE A 72 0.497 -6.053 -6.070 1.00 0.00 H new ATOM 0 HG13 ILE A 72 0.322 -7.748 -5.662 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.435 -4.909 -3.346 1.00 0.00 H new ATOM 0 HG22 ILE A 72 1.116 -4.985 -2.477 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.059 -4.355 -4.140 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.889 -6.714 -6.075 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.755 -7.238 -4.380 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.577 -5.517 -4.795 1.00 0.00 H new ATOM 1115 N ARG A 73 4.257 -5.648 -3.176 1.00 0.00 N ATOM 1116 CA ARG A 73 5.138 -5.213 -2.105 1.00 0.00 C ATOM 1117 C ARG A 73 4.320 -4.651 -0.941 1.00 0.00 C ATOM 1118 O ARG A 73 3.448 -3.808 -1.140 1.00 0.00 O ATOM 1119 CB ARG A 73 6.116 -4.144 -2.596 1.00 0.00 C ATOM 1120 CG ARG A 73 5.411 -2.798 -2.778 1.00 0.00 C ATOM 1121 CD ARG A 73 6.270 -1.836 -3.600 1.00 0.00 C ATOM 1122 NE ARG A 73 6.375 -2.316 -4.996 1.00 0.00 N ATOM 1123 CZ ARG A 73 5.437 -2.115 -5.932 1.00 0.00 C ATOM 1124 NH1 ARG A 73 4.320 -1.442 -5.627 1.00 0.00 N ATOM 1125 NH2 ARG A 73 5.618 -2.587 -7.173 1.00 0.00 N ATOM 0 H ARG A 73 4.525 -5.326 -4.106 1.00 0.00 H new ATOM 0 HA ARG A 73 5.706 -6.081 -1.769 1.00 0.00 H new ATOM 0 HB2 ARG A 73 6.932 -4.037 -1.882 1.00 0.00 H new ATOM 0 HB3 ARG A 73 6.559 -4.458 -3.541 1.00 0.00 H new ATOM 0 HG2 ARG A 73 4.452 -2.950 -3.274 1.00 0.00 H new ATOM 0 HG3 ARG A 73 5.199 -2.360 -1.803 1.00 0.00 H new ATOM 0 HD2 ARG A 73 5.831 -0.838 -3.582 1.00 0.00 H new ATOM 0 HD3 ARG A 73 7.264 -1.755 -3.159 1.00 0.00 H new ATOM 0 HE ARG A 73 7.214 -2.832 -5.262 1.00 0.00 H new ATOM 0 HH11 ARG A 73 4.183 -1.082 -4.682 1.00 0.00 H new ATOM 0 HH12 ARG A 73 3.606 -1.289 -6.339 1.00 0.00 H new ATOM 0 HH21 ARG A 73 6.469 -3.099 -7.405 1.00 0.00 H new ATOM 0 HH22 ARG A 73 4.905 -2.434 -7.886 1.00 0.00 H new ATOM 1139 N VAL A 74 4.632 -5.141 0.250 1.00 0.00 N ATOM 1140 CA VAL A 74 3.937 -4.698 1.447 1.00 0.00 C ATOM 1141 C VAL A 74 4.817 -3.701 2.203 1.00 0.00 C ATOM 1142 O VAL A 74 5.897 -4.054 2.675 1.00 0.00 O ATOM 1143 CB VAL A 74 3.536 -5.905 2.297 1.00 0.00 C ATOM 1144 CG1 VAL A 74 2.552 -5.500 3.396 1.00 0.00 C ATOM 1145 CG2 VAL A 74 2.955 -7.020 1.425 1.00 0.00 C ATOM 0 H VAL A 74 5.357 -5.840 0.412 1.00 0.00 H new ATOM 0 HA VAL A 74 3.014 -4.182 1.183 1.00 0.00 H new ATOM 0 HB VAL A 74 4.435 -6.289 2.778 1.00 0.00 H new ATOM 0 HG11 VAL A 74 2.284 -6.377 3.985 1.00 0.00 H new ATOM 0 HG12 VAL A 74 3.016 -4.756 4.043 1.00 0.00 H new ATOM 0 HG13 VAL A 74 1.655 -5.078 2.943 1.00 0.00 H new ATOM 0 HG21 VAL A 74 2.678 -7.866 2.053 1.00 0.00 H new ATOM 0 HG22 VAL A 74 2.072 -6.651 0.903 1.00 0.00 H new ATOM 0 HG23 VAL A 74 3.701 -7.338 0.696 1.00 0.00 H new ATOM 1155 N VAL A 75 4.323 -2.475 2.295 1.00 0.00 N ATOM 1156 CA VAL A 75 5.052 -1.425 2.986 1.00 0.00 C ATOM 1157 C VAL A 75 4.296 -1.038 4.259 1.00 0.00 C ATOM 1158 O VAL A 75 3.181 -1.505 4.489 1.00 0.00 O ATOM 1159 CB VAL A 75 5.282 -0.241 2.044 1.00 0.00 C ATOM 1160 CG1 VAL A 75 6.239 -0.619 0.912 1.00 0.00 C ATOM 1161 CG2 VAL A 75 3.957 0.284 1.489 1.00 0.00 C ATOM 0 H VAL A 75 3.427 -2.185 1.903 1.00 0.00 H new ATOM 0 HA VAL A 75 6.038 -1.779 3.288 1.00 0.00 H new ATOM 0 HB VAL A 75 5.744 0.560 2.620 1.00 0.00 H new ATOM 0 HG11 VAL A 75 6.385 0.240 0.257 1.00 0.00 H new ATOM 0 HG12 VAL A 75 7.198 -0.922 1.332 1.00 0.00 H new ATOM 0 HG13 VAL A 75 5.817 -1.444 0.339 1.00 0.00 H new ATOM 0 HG21 VAL A 75 4.149 1.125 0.823 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.454 -0.509 0.936 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.322 0.611 2.312 1.00 0.00 H new ATOM 1171 N SER A 76 4.932 -0.188 5.051 1.00 0.00 N ATOM 1172 CA SER A 76 4.333 0.267 6.295 1.00 0.00 C ATOM 1173 C SER A 76 3.657 1.623 6.084 1.00 0.00 C ATOM 1174 O SER A 76 3.709 2.184 4.991 1.00 0.00 O ATOM 1175 CB SER A 76 5.379 0.363 7.407 1.00 0.00 C ATOM 1176 OG SER A 76 4.804 0.177 8.698 1.00 0.00 O ATOM 0 H SER A 76 5.856 0.198 4.856 1.00 0.00 H new ATOM 0 HA SER A 76 3.583 -0.463 6.601 1.00 0.00 H new ATOM 0 HB2 SER A 76 6.152 -0.387 7.243 1.00 0.00 H new ATOM 0 HB3 SER A 76 5.866 1.337 7.364 1.00 0.00 H new ATOM 0 HG SER A 76 5.504 0.244 9.381 1.00 0.00 H new ATOM 1182 N GLU A 77 3.038 2.111 7.149 1.00 0.00 N ATOM 1183 CA GLU A 77 2.352 3.391 7.095 1.00 0.00 C ATOM 1184 C GLU A 77 3.366 4.534 7.026 1.00 0.00 C ATOM 1185 O GLU A 77 2.999 5.680 6.771 1.00 0.00 O ATOM 1186 CB GLU A 77 1.413 3.562 8.291 1.00 0.00 C ATOM 1187 CG GLU A 77 0.087 4.193 7.862 1.00 0.00 C ATOM 1188 CD GLU A 77 -0.408 5.193 8.909 1.00 0.00 C ATOM 1189 OE1 GLU A 77 -0.530 4.775 10.080 1.00 0.00 O ATOM 1190 OE2 GLU A 77 -0.653 6.353 8.513 1.00 0.00 O ATOM 0 H GLU A 77 2.997 1.643 8.054 1.00 0.00 H new ATOM 0 HA GLU A 77 1.743 3.416 6.191 1.00 0.00 H new ATOM 0 HB2 GLU A 77 1.226 2.592 8.752 1.00 0.00 H new ATOM 0 HB3 GLU A 77 1.890 4.187 9.046 1.00 0.00 H new ATOM 0 HG2 GLU A 77 0.213 4.697 6.904 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -0.661 3.413 7.716 1.00 0.00 H new ATOM 1197 N ASP A 78 4.622 4.183 7.260 1.00 0.00 N ATOM 1198 CA ASP A 78 5.692 5.166 7.228 1.00 0.00 C ATOM 1199 C ASP A 78 5.973 5.561 5.777 1.00 0.00 C ATOM 1200 O ASP A 78 6.644 6.560 5.520 1.00 0.00 O ATOM 1201 CB ASP A 78 6.982 4.595 7.820 1.00 0.00 C ATOM 1202 CG ASP A 78 6.801 3.788 9.107 1.00 0.00 C ATOM 1203 OD1 ASP A 78 6.490 4.424 10.137 1.00 0.00 O ATOM 1204 OD2 ASP A 78 6.977 2.552 9.032 1.00 0.00 O ATOM 0 H ASP A 78 4.923 3.232 7.473 1.00 0.00 H new ATOM 0 HA ASP A 78 5.375 6.028 7.816 1.00 0.00 H new ATOM 0 HB2 ASP A 78 7.456 3.958 7.073 1.00 0.00 H new ATOM 0 HB3 ASP A 78 7.668 5.418 8.019 1.00 0.00 H new ATOM 1209 N PHE A 79 5.446 4.756 4.865 1.00 0.00 N ATOM 1210 CA PHE A 79 5.632 5.009 3.447 1.00 0.00 C ATOM 1211 C PHE A 79 4.800 6.209 2.990 1.00 0.00 C ATOM 1212 O PHE A 79 5.288 7.062 2.250 1.00 0.00 O ATOM 1213 CB PHE A 79 5.154 3.760 2.703 1.00 0.00 C ATOM 1214 CG PHE A 79 4.782 4.011 1.240 1.00 0.00 C ATOM 1215 CD1 PHE A 79 5.756 4.255 0.323 1.00 0.00 C ATOM 1216 CD2 PHE A 79 3.477 3.989 0.857 1.00 0.00 C ATOM 1217 CE1 PHE A 79 5.411 4.488 -1.034 1.00 0.00 C ATOM 1218 CE2 PHE A 79 3.133 4.222 -0.501 1.00 0.00 C ATOM 1219 CZ PHE A 79 4.107 4.466 -1.418 1.00 0.00 C ATOM 0 H PHE A 79 4.890 3.928 5.081 1.00 0.00 H new ATOM 0 HA PHE A 79 6.680 5.228 3.243 1.00 0.00 H new ATOM 0 HB2 PHE A 79 5.938 3.004 2.743 1.00 0.00 H new ATOM 0 HB3 PHE A 79 4.288 3.350 3.222 1.00 0.00 H new ATOM 0 HD1 PHE A 79 6.792 4.272 0.627 1.00 0.00 H new ATOM 0 HD2 PHE A 79 2.703 3.795 1.585 1.00 0.00 H new ATOM 0 HE1 PHE A 79 6.185 4.683 -1.762 1.00 0.00 H new ATOM 0 HE2 PHE A 79 2.097 4.205 -0.806 1.00 0.00 H new ATOM 0 HZ PHE A 79 3.845 4.642 -2.451 1.00 0.00 H new ATOM 1229 N LEU A 80 3.558 6.238 3.451 1.00 0.00 N ATOM 1230 CA LEU A 80 2.654 7.319 3.100 1.00 0.00 C ATOM 1231 C LEU A 80 3.205 8.637 3.647 1.00 0.00 C ATOM 1232 O LEU A 80 3.340 9.612 2.910 1.00 0.00 O ATOM 1233 CB LEU A 80 1.233 7.004 3.570 1.00 0.00 C ATOM 1234 CG LEU A 80 0.409 6.094 2.656 1.00 0.00 C ATOM 1235 CD1 LEU A 80 -0.845 5.589 3.370 1.00 0.00 C ATOM 1236 CD2 LEU A 80 0.075 6.798 1.339 1.00 0.00 C ATOM 0 H LEU A 80 3.157 5.529 4.065 1.00 0.00 H new ATOM 0 HA LEU A 80 2.590 7.425 2.017 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.292 6.539 4.554 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.696 7.944 3.693 1.00 0.00 H new ATOM 0 HG LEU A 80 1.012 5.220 2.410 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.412 4.945 2.698 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.556 5.024 4.256 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.462 6.438 3.666 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.511 6.130 0.708 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.501 7.700 1.545 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.998 7.066 0.825 1.00 0.00 H new ATOM 1248 N GLN A 81 3.508 8.625 4.937 1.00 0.00 N ATOM 1249 CA GLN A 81 4.041 9.807 5.593 1.00 0.00 C ATOM 1250 C GLN A 81 5.275 10.316 4.846 1.00 0.00 C ATOM 1251 O GLN A 81 5.664 11.473 4.999 1.00 0.00 O ATOM 1252 CB GLN A 81 4.367 9.520 7.060 1.00 0.00 C ATOM 1253 CG GLN A 81 5.355 10.549 7.613 1.00 0.00 C ATOM 1254 CD GLN A 81 4.733 11.946 7.643 1.00 0.00 C ATOM 1255 OE1 GLN A 81 5.524 12.902 7.164 1.00 0.00 O flip ATOM 1256 NE2 GLN A 81 3.609 12.144 8.074 1.00 0.00 N flip ATOM 0 H GLN A 81 3.394 7.815 5.546 1.00 0.00 H new ATOM 0 HA GLN A 81 3.279 10.586 5.571 1.00 0.00 H new ATOM 0 HB2 GLN A 81 3.451 9.537 7.650 1.00 0.00 H new ATOM 0 HB3 GLN A 81 4.788 8.519 7.154 1.00 0.00 H new ATOM 0 HG2 GLN A 81 5.660 10.261 8.619 1.00 0.00 H new ATOM 0 HG3 GLN A 81 6.255 10.561 6.998 1.00 0.00 H new ATOM 0 HE21 GLN A 81 3.054 11.365 8.428 1.00 0.00 H new ATOM 0 HE22 GLN A 81 3.224 13.089 8.081 1.00 0.00 H new ATOM 1265 N ASP A 82 5.857 9.428 4.054 1.00 0.00 N ATOM 1266 CA ASP A 82 7.039 9.773 3.283 1.00 0.00 C ATOM 1267 C ASP A 82 6.622 10.158 1.863 1.00 0.00 C ATOM 1268 O ASP A 82 6.923 11.257 1.400 1.00 0.00 O ATOM 1269 CB ASP A 82 8.001 8.587 3.189 1.00 0.00 C ATOM 1270 CG ASP A 82 9.293 8.736 3.994 1.00 0.00 C ATOM 1271 OD1 ASP A 82 9.177 8.998 5.211 1.00 0.00 O ATOM 1272 OD2 ASP A 82 10.369 8.584 3.375 1.00 0.00 O ATOM 0 H ASP A 82 5.532 8.469 3.929 1.00 0.00 H new ATOM 0 HA ASP A 82 7.538 10.603 3.784 1.00 0.00 H new ATOM 0 HB2 ASP A 82 7.482 7.690 3.527 1.00 0.00 H new ATOM 0 HB3 ASP A 82 8.259 8.430 2.142 1.00 0.00 H new ATOM 1277 N VAL A 83 5.937 9.231 1.210 1.00 0.00 N ATOM 1278 CA VAL A 83 5.475 9.459 -0.149 1.00 0.00 C ATOM 1279 C VAL A 83 4.756 10.808 -0.219 1.00 0.00 C ATOM 1280 O VAL A 83 4.848 11.513 -1.222 1.00 0.00 O ATOM 1281 CB VAL A 83 4.601 8.291 -0.608 1.00 0.00 C ATOM 1282 CG1 VAL A 83 3.118 8.593 -0.380 1.00 0.00 C ATOM 1283 CG2 VAL A 83 4.871 7.947 -2.074 1.00 0.00 C ATOM 0 H VAL A 83 5.691 8.320 1.597 1.00 0.00 H new ATOM 0 HA VAL A 83 6.319 9.505 -0.837 1.00 0.00 H new ATOM 0 HB VAL A 83 4.862 7.421 -0.006 1.00 0.00 H new ATOM 0 HG11 VAL A 83 2.519 7.746 -0.715 1.00 0.00 H new ATOM 0 HG12 VAL A 83 2.941 8.766 0.682 1.00 0.00 H new ATOM 0 HG13 VAL A 83 2.837 9.482 -0.944 1.00 0.00 H new ATOM 0 HG21 VAL A 83 4.237 7.113 -2.375 1.00 0.00 H new ATOM 0 HG22 VAL A 83 4.651 8.814 -2.698 1.00 0.00 H new ATOM 0 HG23 VAL A 83 5.918 7.669 -2.196 1.00 0.00 H new ATOM 1293 N SER A 84 4.056 11.125 0.860 1.00 0.00 N ATOM 1294 CA SER A 84 3.321 12.377 0.934 1.00 0.00 C ATOM 1295 C SER A 84 4.274 13.523 1.279 1.00 0.00 C ATOM 1296 O SER A 84 4.046 14.665 0.882 1.00 0.00 O ATOM 1297 CB SER A 84 2.194 12.294 1.966 1.00 0.00 C ATOM 1298 OG SER A 84 2.601 12.783 3.241 1.00 0.00 O ATOM 0 H SER A 84 3.982 10.537 1.690 1.00 0.00 H new ATOM 0 HA SER A 84 2.871 12.568 -0.040 1.00 0.00 H new ATOM 0 HB2 SER A 84 1.337 12.868 1.614 1.00 0.00 H new ATOM 0 HB3 SER A 84 1.866 11.259 2.062 1.00 0.00 H new ATOM 0 HG SER A 84 1.854 12.715 3.871 1.00 0.00 H new ATOM 1304 N ALA A 85 5.320 13.179 2.015 1.00 0.00 N ATOM 1305 CA ALA A 85 6.308 14.166 2.418 1.00 0.00 C ATOM 1306 C ALA A 85 7.711 13.584 2.227 1.00 0.00 C ATOM 1307 O ALA A 85 8.402 13.289 3.200 1.00 0.00 O ATOM 1308 CB ALA A 85 6.046 14.590 3.864 1.00 0.00 C ATOM 0 H ALA A 85 5.505 12.231 2.343 1.00 0.00 H new ATOM 0 HA ALA A 85 6.233 15.059 1.797 1.00 0.00 H new ATOM 0 HB1 ALA A 85 6.787 15.330 4.166 1.00 0.00 H new ATOM 0 HB2 ALA A 85 5.049 15.023 3.941 1.00 0.00 H new ATOM 0 HB3 ALA A 85 6.116 13.720 4.517 1.00 0.00 H new ATOM 1314 N SER A 86 8.088 13.437 0.965 1.00 0.00 N ATOM 1315 CA SER A 86 9.395 12.896 0.634 1.00 0.00 C ATOM 1316 C SER A 86 9.675 13.080 -0.859 1.00 0.00 C ATOM 1317 O SER A 86 8.769 12.964 -1.683 1.00 0.00 O ATOM 1318 CB SER A 86 9.492 11.417 1.013 1.00 0.00 C ATOM 1319 OG SER A 86 10.828 10.929 0.926 1.00 0.00 O ATOM 0 H SER A 86 7.511 13.683 0.160 1.00 0.00 H new ATOM 0 HA SER A 86 10.145 13.440 1.208 1.00 0.00 H new ATOM 0 HB2 SER A 86 9.121 11.278 2.028 1.00 0.00 H new ATOM 0 HB3 SER A 86 8.849 10.832 0.356 1.00 0.00 H new ATOM 0 HG SER A 86 10.958 10.212 1.582 1.00 0.00 H new ATOM 1325 N THR A 87 10.933 13.365 -1.162 1.00 0.00 N ATOM 1326 CA THR A 87 11.343 13.566 -2.541 1.00 0.00 C ATOM 1327 C THR A 87 12.185 12.384 -3.026 1.00 0.00 C ATOM 1328 O THR A 87 13.169 12.570 -3.740 1.00 0.00 O ATOM 1329 CB THR A 87 12.074 14.908 -2.626 1.00 0.00 C ATOM 1330 OG1 THR A 87 12.076 15.215 -4.017 1.00 0.00 O ATOM 1331 CG2 THR A 87 13.557 14.791 -2.268 1.00 0.00 C ATOM 0 H THR A 87 11.682 13.461 -0.476 1.00 0.00 H new ATOM 0 HA THR A 87 10.481 13.605 -3.208 1.00 0.00 H new ATOM 0 HB THR A 87 11.595 15.625 -1.959 1.00 0.00 H new ATOM 0 HG1 THR A 87 12.504 14.485 -4.512 1.00 0.00 H new ATOM 0 HG21 THR A 87 14.028 15.771 -2.344 1.00 0.00 H new ATOM 0 HG22 THR A 87 13.657 14.419 -1.248 1.00 0.00 H new ATOM 0 HG23 THR A 87 14.044 14.100 -2.956 1.00 0.00 H new ATOM 1339 N LYS A 88 11.768 11.195 -2.617 1.00 0.00 N ATOM 1340 CA LYS A 88 12.471 9.983 -3.000 1.00 0.00 C ATOM 1341 C LYS A 88 11.645 9.227 -4.042 1.00 0.00 C ATOM 1342 O LYS A 88 10.453 9.487 -4.203 1.00 0.00 O ATOM 1343 CB LYS A 88 12.814 9.149 -1.764 1.00 0.00 C ATOM 1344 CG LYS A 88 13.713 9.933 -0.806 1.00 0.00 C ATOM 1345 CD LYS A 88 14.869 9.066 -0.305 1.00 0.00 C ATOM 1346 CE LYS A 88 15.817 8.701 -1.450 1.00 0.00 C ATOM 1347 NZ LYS A 88 17.217 9.007 -1.081 1.00 0.00 N ATOM 0 H LYS A 88 10.952 11.045 -2.024 1.00 0.00 H new ATOM 0 HA LYS A 88 13.426 10.228 -3.466 1.00 0.00 H new ATOM 0 HB2 LYS A 88 11.897 8.858 -1.252 1.00 0.00 H new ATOM 0 HB3 LYS A 88 13.315 8.230 -2.068 1.00 0.00 H new ATOM 0 HG2 LYS A 88 14.108 10.815 -1.311 1.00 0.00 H new ATOM 0 HG3 LYS A 88 13.126 10.287 0.041 1.00 0.00 H new ATOM 0 HD2 LYS A 88 15.418 9.599 0.471 1.00 0.00 H new ATOM 0 HD3 LYS A 88 14.476 8.157 0.150 1.00 0.00 H new ATOM 0 HE2 LYS A 88 15.720 7.641 -1.686 1.00 0.00 H new ATOM 0 HE3 LYS A 88 15.542 9.254 -2.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 17.847 8.753 -1.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 17.308 10.023 -0.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 17.481 8.460 -0.237 1.00 0.00 H new ATOM 1361 N SER A 89 12.310 8.305 -4.723 1.00 0.00 N ATOM 1362 CA SER A 89 11.652 7.509 -5.746 1.00 0.00 C ATOM 1363 C SER A 89 10.800 6.419 -5.092 1.00 0.00 C ATOM 1364 O SER A 89 11.164 5.887 -4.045 1.00 0.00 O ATOM 1365 CB SER A 89 12.672 6.886 -6.700 1.00 0.00 C ATOM 1366 OG SER A 89 13.503 7.869 -7.310 1.00 0.00 O ATOM 0 H SER A 89 13.298 8.091 -4.586 1.00 0.00 H new ATOM 0 HA SER A 89 11.006 8.166 -6.328 1.00 0.00 H new ATOM 0 HB2 SER A 89 13.292 6.176 -6.154 1.00 0.00 H new ATOM 0 HB3 SER A 89 12.149 6.324 -7.473 1.00 0.00 H new ATOM 0 HG SER A 89 14.142 7.431 -7.910 1.00 0.00 H new ATOM 1372 N LEU A 90 9.683 6.119 -5.738 1.00 0.00 N ATOM 1373 CA LEU A 90 8.777 5.102 -5.233 1.00 0.00 C ATOM 1374 C LEU A 90 9.580 3.864 -4.829 1.00 0.00 C ATOM 1375 O LEU A 90 9.536 3.440 -3.676 1.00 0.00 O ATOM 1376 CB LEU A 90 7.673 4.813 -6.253 1.00 0.00 C ATOM 1377 CG LEU A 90 6.398 5.647 -6.116 1.00 0.00 C ATOM 1378 CD1 LEU A 90 5.798 5.505 -4.716 1.00 0.00 C ATOM 1379 CD2 LEU A 90 6.659 7.110 -6.483 1.00 0.00 C ATOM 0 H LEU A 90 9.385 6.563 -6.607 1.00 0.00 H new ATOM 0 HA LEU A 90 8.267 5.458 -4.338 1.00 0.00 H new ATOM 0 HB2 LEU A 90 8.079 4.968 -7.252 1.00 0.00 H new ATOM 0 HB3 LEU A 90 7.404 3.759 -6.179 1.00 0.00 H new ATOM 0 HG LEU A 90 5.661 5.264 -6.822 1.00 0.00 H new ATOM 0 HD11 LEU A 90 4.893 6.108 -4.645 1.00 0.00 H new ATOM 0 HD12 LEU A 90 5.553 4.459 -4.529 1.00 0.00 H new ATOM 0 HD13 LEU A 90 6.520 5.846 -3.974 1.00 0.00 H new ATOM 0 HD21 LEU A 90 5.737 7.682 -6.377 1.00 0.00 H new ATOM 0 HD22 LEU A 90 7.419 7.522 -5.819 1.00 0.00 H new ATOM 0 HD23 LEU A 90 7.007 7.170 -7.514 1.00 0.00 H new ATOM 1391 N GLN A 91 10.296 3.319 -5.802 1.00 0.00 N ATOM 1392 CA GLN A 91 11.109 2.139 -5.563 1.00 0.00 C ATOM 1393 C GLN A 91 11.812 2.244 -4.208 1.00 0.00 C ATOM 1394 O GLN A 91 11.577 1.429 -3.317 1.00 0.00 O ATOM 1395 CB GLN A 91 12.121 1.932 -6.691 1.00 0.00 C ATOM 1396 CG GLN A 91 11.960 0.549 -7.325 1.00 0.00 C ATOM 1397 CD GLN A 91 13.322 -0.076 -7.633 1.00 0.00 C ATOM 1398 OE1 GLN A 91 14.323 0.603 -7.794 1.00 0.00 O ATOM 1399 NE2 GLN A 91 13.305 -1.404 -7.704 1.00 0.00 N ATOM 0 H GLN A 91 10.330 3.673 -6.758 1.00 0.00 H new ATOM 0 HA GLN A 91 10.453 1.268 -5.544 1.00 0.00 H new ATOM 0 HB2 GLN A 91 11.987 2.702 -7.451 1.00 0.00 H new ATOM 0 HB3 GLN A 91 13.133 2.042 -6.301 1.00 0.00 H new ATOM 0 HG2 GLN A 91 11.402 -0.101 -6.651 1.00 0.00 H new ATOM 0 HG3 GLN A 91 11.378 0.632 -8.243 1.00 0.00 H new ATOM 0 HE21 GLN A 91 12.432 -1.911 -7.559 1.00 0.00 H new ATOM 0 HE22 GLN A 91 14.165 -1.915 -7.904 1.00 0.00 H new ATOM 1408 N GLU A 92 12.661 3.255 -4.095 1.00 0.00 N ATOM 1409 CA GLU A 92 13.400 3.478 -2.864 1.00 0.00 C ATOM 1410 C GLU A 92 12.438 3.583 -1.679 1.00 0.00 C ATOM 1411 O GLU A 92 12.604 2.890 -0.676 1.00 0.00 O ATOM 1412 CB GLU A 92 14.278 4.726 -2.969 1.00 0.00 C ATOM 1413 CG GLU A 92 15.384 4.532 -4.009 1.00 0.00 C ATOM 1414 CD GLU A 92 16.696 4.112 -3.342 1.00 0.00 C ATOM 1415 OE1 GLU A 92 17.333 5.000 -2.734 1.00 0.00 O ATOM 1416 OE2 GLU A 92 17.031 2.914 -3.456 1.00 0.00 O ATOM 0 H GLU A 92 12.854 3.929 -4.836 1.00 0.00 H new ATOM 0 HA GLU A 92 14.058 2.625 -2.699 1.00 0.00 H new ATOM 0 HB2 GLU A 92 13.664 5.585 -3.241 1.00 0.00 H new ATOM 0 HB3 GLU A 92 14.721 4.946 -1.998 1.00 0.00 H new ATOM 0 HG2 GLU A 92 15.080 3.774 -4.731 1.00 0.00 H new ATOM 0 HG3 GLU A 92 15.534 5.459 -4.563 1.00 0.00 H new ATOM 1423 N LEU A 93 11.453 4.455 -1.833 1.00 0.00 N ATOM 1424 CA LEU A 93 10.464 4.660 -0.788 1.00 0.00 C ATOM 1425 C LEU A 93 9.956 3.302 -0.299 1.00 0.00 C ATOM 1426 O LEU A 93 9.969 3.025 0.899 1.00 0.00 O ATOM 1427 CB LEU A 93 9.353 5.591 -1.277 1.00 0.00 C ATOM 1428 CG LEU A 93 9.671 7.088 -1.247 1.00 0.00 C ATOM 1429 CD1 LEU A 93 8.426 7.919 -1.564 1.00 0.00 C ATOM 1430 CD2 LEU A 93 10.302 7.487 0.088 1.00 0.00 C ATOM 0 H LEU A 93 11.318 5.028 -2.666 1.00 0.00 H new ATOM 0 HA LEU A 93 10.914 5.161 0.069 1.00 0.00 H new ATOM 0 HB2 LEU A 93 9.098 5.314 -2.300 1.00 0.00 H new ATOM 0 HB3 LEU A 93 8.465 5.416 -0.669 1.00 0.00 H new ATOM 0 HG LEU A 93 10.405 7.298 -2.025 1.00 0.00 H new ATOM 0 HD11 LEU A 93 8.679 8.979 -1.536 1.00 0.00 H new ATOM 0 HD12 LEU A 93 8.059 7.660 -2.557 1.00 0.00 H new ATOM 0 HD13 LEU A 93 7.652 7.711 -0.825 1.00 0.00 H new ATOM 0 HD21 LEU A 93 10.518 8.555 0.083 1.00 0.00 H new ATOM 0 HD22 LEU A 93 9.610 7.260 0.899 1.00 0.00 H new ATOM 0 HD23 LEU A 93 11.228 6.930 0.234 1.00 0.00 H new ATOM 1442 N PHE A 94 9.522 2.490 -1.252 1.00 0.00 N ATOM 1443 CA PHE A 94 9.012 1.167 -0.933 1.00 0.00 C ATOM 1444 C PHE A 94 10.039 0.360 -0.137 1.00 0.00 C ATOM 1445 O PHE A 94 9.728 -0.166 0.930 1.00 0.00 O ATOM 1446 CB PHE A 94 8.743 0.459 -2.262 1.00 0.00 C ATOM 1447 CG PHE A 94 7.622 1.091 -3.089 1.00 0.00 C ATOM 1448 CD1 PHE A 94 6.525 1.603 -2.469 1.00 0.00 C ATOM 1449 CD2 PHE A 94 7.722 1.142 -4.444 1.00 0.00 C ATOM 1450 CE1 PHE A 94 5.484 2.190 -3.236 1.00 0.00 C ATOM 1451 CE2 PHE A 94 6.681 1.729 -5.212 1.00 0.00 C ATOM 1452 CZ PHE A 94 5.585 2.241 -4.592 1.00 0.00 C ATOM 0 H PHE A 94 9.513 2.723 -2.245 1.00 0.00 H new ATOM 0 HA PHE A 94 8.110 1.252 -0.328 1.00 0.00 H new ATOM 0 HB2 PHE A 94 9.659 0.457 -2.853 1.00 0.00 H new ATOM 0 HB3 PHE A 94 8.490 -0.582 -2.062 1.00 0.00 H new ATOM 0 HD1 PHE A 94 6.446 1.563 -1.393 1.00 0.00 H new ATOM 0 HD2 PHE A 94 8.593 0.736 -4.937 1.00 0.00 H new ATOM 0 HE1 PHE A 94 4.613 2.596 -2.743 1.00 0.00 H new ATOM 0 HE2 PHE A 94 6.760 1.768 -6.288 1.00 0.00 H new ATOM 0 HZ PHE A 94 4.794 2.688 -5.176 1.00 0.00 H new ATOM 1462 N LEU A 95 11.242 0.288 -0.687 1.00 0.00 N ATOM 1463 CA LEU A 95 12.317 -0.446 -0.041 1.00 0.00 C ATOM 1464 C LEU A 95 12.577 0.151 1.343 1.00 0.00 C ATOM 1465 O LEU A 95 12.713 -0.580 2.323 1.00 0.00 O ATOM 1466 CB LEU A 95 13.557 -0.480 -0.938 1.00 0.00 C ATOM 1467 CG LEU A 95 13.532 -1.502 -2.077 1.00 0.00 C ATOM 1468 CD1 LEU A 95 12.587 -1.056 -3.194 1.00 0.00 C ATOM 1469 CD2 LEU A 95 14.944 -1.778 -2.596 1.00 0.00 C ATOM 0 H LEU A 95 11.496 0.726 -1.573 1.00 0.00 H new ATOM 0 HA LEU A 95 12.031 -1.487 0.109 1.00 0.00 H new ATOM 0 HB2 LEU A 95 13.697 0.511 -1.369 1.00 0.00 H new ATOM 0 HB3 LEU A 95 14.427 -0.682 -0.314 1.00 0.00 H new ATOM 0 HG LEU A 95 13.144 -2.442 -1.684 1.00 0.00 H new ATOM 0 HD11 LEU A 95 12.588 -1.800 -3.990 1.00 0.00 H new ATOM 0 HD12 LEU A 95 11.577 -0.952 -2.796 1.00 0.00 H new ATOM 0 HD13 LEU A 95 12.921 -0.098 -3.592 1.00 0.00 H new ATOM 0 HD21 LEU A 95 14.898 -2.507 -3.405 1.00 0.00 H new ATOM 0 HD22 LEU A 95 15.383 -0.852 -2.967 1.00 0.00 H new ATOM 0 HD23 LEU A 95 15.559 -2.172 -1.787 1.00 0.00 H new ATOM 1481 N ALA A 96 12.639 1.474 1.380 1.00 0.00 N ATOM 1482 CA ALA A 96 12.880 2.178 2.628 1.00 0.00 C ATOM 1483 C ALA A 96 11.711 1.929 3.583 1.00 0.00 C ATOM 1484 O ALA A 96 11.803 2.224 4.774 1.00 0.00 O ATOM 1485 CB ALA A 96 13.093 3.666 2.343 1.00 0.00 C ATOM 0 H ALA A 96 12.526 2.077 0.565 1.00 0.00 H new ATOM 0 HA ALA A 96 13.784 1.806 3.109 1.00 0.00 H new ATOM 0 HB1 ALA A 96 13.274 4.194 3.280 1.00 0.00 H new ATOM 0 HB2 ALA A 96 13.953 3.791 1.684 1.00 0.00 H new ATOM 0 HB3 ALA A 96 12.205 4.075 1.862 1.00 0.00 H new ATOM 1491 N HIS A 97 10.637 1.388 3.025 1.00 0.00 N ATOM 1492 CA HIS A 97 9.451 1.096 3.812 1.00 0.00 C ATOM 1493 C HIS A 97 8.849 -0.235 3.358 1.00 0.00 C ATOM 1494 O HIS A 97 7.632 -0.357 3.226 1.00 0.00 O ATOM 1495 CB HIS A 97 8.453 2.253 3.741 1.00 0.00 C ATOM 1496 CG HIS A 97 9.068 3.610 3.988 1.00 0.00 C ATOM 1497 ND1 HIS A 97 9.527 4.010 5.231 1.00 0.00 N ATOM 1498 CD2 HIS A 97 9.295 4.653 3.139 1.00 0.00 C ATOM 1499 CE1 HIS A 97 10.006 5.241 5.124 1.00 0.00 C ATOM 1500 NE2 HIS A 97 9.861 5.638 3.827 1.00 0.00 N ATOM 0 H HIS A 97 10.564 1.144 2.037 1.00 0.00 H new ATOM 0 HA HIS A 97 9.724 0.992 4.862 1.00 0.00 H new ATOM 0 HB2 HIS A 97 7.981 2.253 2.758 1.00 0.00 H new ATOM 0 HB3 HIS A 97 7.664 2.084 4.474 1.00 0.00 H new ATOM 0 HD1 HIS A 97 9.501 3.452 6.084 1.00 0.00 H new ATOM 0 HD2 HIS A 97 9.055 4.674 2.086 1.00 0.00 H new ATOM 0 HE1 HIS A 97 10.436 5.827 5.923 1.00 0.00 H new ATOM 1508 N ILE A 98 9.729 -1.200 3.131 1.00 0.00 N ATOM 1509 CA ILE A 98 9.299 -2.517 2.694 1.00 0.00 C ATOM 1510 C ILE A 98 9.220 -3.450 3.904 1.00 0.00 C ATOM 1511 O ILE A 98 10.213 -3.656 4.600 1.00 0.00 O ATOM 1512 CB ILE A 98 10.209 -3.034 1.578 1.00 0.00 C ATOM 1513 CG1 ILE A 98 9.586 -4.246 0.881 1.00 0.00 C ATOM 1514 CG2 ILE A 98 11.611 -3.336 2.109 1.00 0.00 C ATOM 1515 CD1 ILE A 98 9.153 -3.896 -0.544 1.00 0.00 C ATOM 0 H ILE A 98 10.738 -1.096 3.242 1.00 0.00 H new ATOM 0 HA ILE A 98 8.299 -2.468 2.262 1.00 0.00 H new ATOM 0 HB ILE A 98 10.312 -2.249 0.829 1.00 0.00 H new ATOM 0 HG12 ILE A 98 10.305 -5.065 0.856 1.00 0.00 H new ATOM 0 HG13 ILE A 98 8.725 -4.595 1.451 1.00 0.00 H new ATOM 0 HG21 ILE A 98 12.237 -3.702 1.295 1.00 0.00 H new ATOM 0 HG22 ILE A 98 12.047 -2.427 2.522 1.00 0.00 H new ATOM 0 HG23 ILE A 98 11.549 -4.095 2.889 1.00 0.00 H new ATOM 0 HD11 ILE A 98 8.714 -4.774 -1.017 1.00 0.00 H new ATOM 0 HD12 ILE A 98 8.416 -3.093 -0.514 1.00 0.00 H new ATOM 0 HD13 ILE A 98 10.020 -3.570 -1.118 1.00 0.00 H new ATOM 1527 N LEU A 99 8.028 -3.988 4.119 1.00 0.00 N ATOM 1528 CA LEU A 99 7.806 -4.894 5.233 1.00 0.00 C ATOM 1529 C LEU A 99 7.952 -6.338 4.747 1.00 0.00 C ATOM 1530 O LEU A 99 8.303 -7.225 5.524 1.00 0.00 O ATOM 1531 CB LEU A 99 6.460 -4.603 5.900 1.00 0.00 C ATOM 1532 CG LEU A 99 6.324 -3.230 6.562 1.00 0.00 C ATOM 1533 CD1 LEU A 99 5.012 -3.127 7.343 1.00 0.00 C ATOM 1534 CD2 LEU A 99 7.539 -2.921 7.439 1.00 0.00 C ATOM 0 H LEU A 99 7.206 -3.814 3.541 1.00 0.00 H new ATOM 0 HA LEU A 99 8.559 -4.739 6.006 1.00 0.00 H new ATOM 0 HB2 LEU A 99 5.676 -4.702 5.149 1.00 0.00 H new ATOM 0 HB3 LEU A 99 6.278 -5.368 6.655 1.00 0.00 H new ATOM 0 HG LEU A 99 6.293 -2.474 5.778 1.00 0.00 H new ATOM 0 HD11 LEU A 99 4.939 -2.142 7.804 1.00 0.00 H new ATOM 0 HD12 LEU A 99 4.172 -3.273 6.664 1.00 0.00 H new ATOM 0 HD13 LEU A 99 4.989 -3.893 8.118 1.00 0.00 H new ATOM 0 HD21 LEU A 99 7.417 -1.940 7.897 1.00 0.00 H new ATOM 0 HD22 LEU A 99 7.627 -3.677 8.219 1.00 0.00 H new ATOM 0 HD23 LEU A 99 8.441 -2.925 6.826 1.00 0.00 H new ATOM 1546 N SER A 100 7.674 -6.529 3.466 1.00 0.00 N ATOM 1547 CA SER A 100 7.770 -7.849 2.868 1.00 0.00 C ATOM 1548 C SER A 100 9.108 -7.999 2.141 1.00 0.00 C ATOM 1549 O SER A 100 9.832 -7.022 1.960 1.00 0.00 O ATOM 1550 CB SER A 100 6.610 -8.102 1.902 1.00 0.00 C ATOM 1551 OG SER A 100 6.731 -7.332 0.710 1.00 0.00 O ATOM 0 H SER A 100 7.382 -5.791 2.825 1.00 0.00 H new ATOM 0 HA SER A 100 7.712 -8.590 3.665 1.00 0.00 H new ATOM 0 HB2 SER A 100 6.575 -9.161 1.647 1.00 0.00 H new ATOM 0 HB3 SER A 100 5.668 -7.861 2.395 1.00 0.00 H new ATOM 0 HG SER A 100 6.068 -7.636 0.055 1.00 0.00 H new ATOM 1557 N SER A 101 9.395 -9.230 1.745 1.00 0.00 N ATOM 1558 CA SER A 101 10.634 -9.521 1.043 1.00 0.00 C ATOM 1559 C SER A 101 10.369 -9.631 -0.460 1.00 0.00 C ATOM 1560 O SER A 101 11.304 -9.711 -1.255 1.00 0.00 O ATOM 1561 CB SER A 101 11.275 -10.808 1.565 1.00 0.00 C ATOM 1562 OG SER A 101 12.467 -10.550 2.302 1.00 0.00 O ATOM 0 H SER A 101 8.791 -10.038 1.897 1.00 0.00 H new ATOM 0 HA SER A 101 11.330 -8.702 1.224 1.00 0.00 H new ATOM 0 HB2 SER A 101 10.563 -11.336 2.200 1.00 0.00 H new ATOM 0 HB3 SER A 101 11.503 -11.466 0.726 1.00 0.00 H new ATOM 0 HG SER A 101 12.845 -11.397 2.620 1.00 0.00 H new ATOM 1568 N TRP A 102 9.090 -9.632 -0.805 1.00 0.00 N ATOM 1569 CA TRP A 102 8.690 -9.731 -2.198 1.00 0.00 C ATOM 1570 C TRP A 102 8.244 -8.343 -2.662 1.00 0.00 C ATOM 1571 O TRP A 102 8.541 -7.342 -2.012 1.00 0.00 O ATOM 1572 CB TRP A 102 7.610 -10.799 -2.384 1.00 0.00 C ATOM 1573 CG TRP A 102 6.228 -10.382 -1.877 1.00 0.00 C ATOM 1574 CD1 TRP A 102 5.304 -9.647 -2.511 1.00 0.00 C ATOM 1575 CD2 TRP A 102 5.648 -10.708 -0.597 1.00 0.00 C ATOM 1576 NE1 TRP A 102 4.176 -9.476 -1.736 1.00 0.00 N ATOM 1577 CE2 TRP A 102 4.391 -10.142 -0.535 1.00 0.00 C ATOM 1578 CE3 TRP A 102 6.168 -11.457 0.474 1.00 0.00 C ATOM 1579 CZ2 TRP A 102 3.549 -10.264 0.577 1.00 0.00 C ATOM 1580 CZ3 TRP A 102 5.314 -11.570 1.578 1.00 0.00 C ATOM 1581 CH2 TRP A 102 4.046 -11.006 1.656 1.00 0.00 C ATOM 0 H TRP A 102 8.317 -9.566 -0.143 1.00 0.00 H new ATOM 0 HA TRP A 102 9.527 -10.053 -2.817 1.00 0.00 H new ATOM 0 HB2 TRP A 102 7.537 -11.047 -3.443 1.00 0.00 H new ATOM 0 HB3 TRP A 102 7.918 -11.706 -1.864 1.00 0.00 H new ATOM 0 HD1 TRP A 102 5.427 -9.240 -3.504 1.00 0.00 H new ATOM 0 HE1 TRP A 102 3.338 -8.956 -1.996 1.00 0.00 H new ATOM 0 HE3 TRP A 102 7.148 -11.909 0.447 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 2.569 -9.810 0.601 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 5.665 -12.135 2.429 1.00 0.00 H new ATOM 0 HH2 TRP A 102 3.447 -11.139 2.545 1.00 0.00 H new ATOM 1592 N GLY A 103 7.538 -8.328 -3.784 1.00 0.00 N ATOM 1593 CA GLY A 103 7.048 -7.079 -4.342 1.00 0.00 C ATOM 1594 C GLY A 103 8.152 -6.354 -5.115 1.00 0.00 C ATOM 1595 O GLY A 103 8.516 -5.229 -4.775 1.00 0.00 O ATOM 0 H GLY A 103 7.294 -9.160 -4.321 1.00 0.00 H new ATOM 0 HA2 GLY A 103 6.206 -7.278 -5.005 1.00 0.00 H new ATOM 0 HA3 GLY A 103 6.679 -6.438 -3.541 1.00 0.00 H new