USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 520 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 7 THR OG1 : rot -109:sc= 1.32 USER MOD Set 1.2: A 65 TYR OH : rot -166:sc= 1.43 USER MOD Set 2.1: A 8 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 51 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Set 3.1: A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 23:sc= 0.358 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 143:sc= 1.3 (180deg=-0.998) USER MOD Single : A 17 ASN : amide:sc= -0.0461 K(o=-0.046,f=-1.6!) USER MOD Single : A 19 THR OG1 : rot -63:sc= 0.748 USER MOD Single : A 20 GLN : amide:sc= -0.0203 X(o=-0.02,f=-0.4) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 HIS : no HD1:sc= -0.32 X(o=-0.32,f=-0.45) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 ASN : amide:sc= 0.946 K(o=0.95,f=-5.1!) USER MOD Single : A 41 ASN : amide:sc= 0.011 K(o=0.011,f=-0.74) USER MOD Single : A 45 LYS NZ :NH3+ -148:sc= 0.0212 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 SER OG : rot 49:sc= 1.1 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 165:sc= -0.0252 (180deg=-0.272) USER MOD Single : A 61 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.00375) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 78 N THR A 6 11.044 -0.696 3.483 1.00 0.00 N ATOM 79 CA THR A 6 10.241 -1.886 3.682 1.00 0.00 C ATOM 80 C THR A 6 9.270 -2.008 2.499 1.00 0.00 C ATOM 81 O THR A 6 8.976 -1.018 1.822 1.00 0.00 O ATOM 82 CB THR A 6 9.585 -1.814 5.075 1.00 0.00 C ATOM 83 OG1 THR A 6 10.503 -1.360 6.059 1.00 0.00 O ATOM 84 CG2 THR A 6 9.143 -3.206 5.496 1.00 0.00 C ATOM 0 HA THR A 6 10.828 -2.804 3.687 1.00 0.00 H new ATOM 0 HB THR A 6 8.745 -1.123 5.004 1.00 0.00 H new ATOM 0 HG1 THR A 6 11.223 -0.855 5.627 1.00 0.00 H new ATOM 0 HG21 THR A 6 8.679 -3.158 6.481 1.00 0.00 H new ATOM 0 HG22 THR A 6 8.424 -3.593 4.774 1.00 0.00 H new ATOM 0 HG23 THR A 6 10.009 -3.867 5.535 1.00 0.00 H new ATOM 92 N THR A 7 8.771 -3.218 2.247 1.00 0.00 N ATOM 93 CA THR A 7 7.985 -3.528 1.063 1.00 0.00 C ATOM 94 C THR A 7 6.612 -2.842 1.093 1.00 0.00 C ATOM 95 O THR A 7 6.215 -2.205 2.078 1.00 0.00 O ATOM 96 CB THR A 7 7.881 -5.059 0.906 1.00 0.00 C ATOM 97 OG1 THR A 7 7.479 -5.420 -0.395 1.00 0.00 O ATOM 98 CG2 THR A 7 6.894 -5.710 1.881 1.00 0.00 C ATOM 0 H THR A 7 8.905 -4.016 2.868 1.00 0.00 H new ATOM 0 HA THR A 7 8.491 -3.129 0.184 1.00 0.00 H new ATOM 0 HB THR A 7 8.886 -5.422 1.122 1.00 0.00 H new ATOM 0 HG1 THR A 7 6.564 -5.769 -0.370 1.00 0.00 H new ATOM 0 HG21 THR A 7 6.873 -6.787 1.713 1.00 0.00 H new ATOM 0 HG22 THR A 7 7.208 -5.509 2.905 1.00 0.00 H new ATOM 0 HG23 THR A 7 5.898 -5.298 1.719 1.00 0.00 H new ATOM 106 N TYR A 8 5.846 -3.082 0.029 1.00 0.00 N ATOM 107 CA TYR A 8 4.471 -2.662 -0.258 1.00 0.00 C ATOM 108 C TYR A 8 3.414 -3.183 0.731 1.00 0.00 C ATOM 109 O TYR A 8 2.235 -3.182 0.403 1.00 0.00 O ATOM 110 CB TYR A 8 4.117 -3.079 -1.700 1.00 0.00 C ATOM 111 CG TYR A 8 5.007 -2.515 -2.792 1.00 0.00 C ATOM 112 CD1 TYR A 8 5.551 -1.215 -2.708 1.00 0.00 C ATOM 113 CD2 TYR A 8 5.268 -3.308 -3.922 1.00 0.00 C ATOM 114 CE1 TYR A 8 6.321 -0.695 -3.760 1.00 0.00 C ATOM 115 CE2 TYR A 8 6.054 -2.807 -4.971 1.00 0.00 C ATOM 116 CZ TYR A 8 6.566 -1.487 -4.903 1.00 0.00 C ATOM 117 OH TYR A 8 7.315 -0.957 -5.903 1.00 0.00 O ATOM 0 H TYR A 8 6.215 -3.639 -0.742 1.00 0.00 H new ATOM 0 HA TYR A 8 4.445 -1.579 -0.141 1.00 0.00 H new ATOM 0 HB2 TYR A 8 4.146 -4.167 -1.760 1.00 0.00 H new ATOM 0 HB3 TYR A 8 3.090 -2.776 -1.903 1.00 0.00 H new ATOM 0 HD1 TYR A 8 5.373 -0.616 -1.827 1.00 0.00 H new ATOM 0 HD2 TYR A 8 4.862 -4.307 -3.984 1.00 0.00 H new ATOM 0 HE1 TYR A 8 6.724 0.305 -3.696 1.00 0.00 H new ATOM 0 HE2 TYR A 8 6.269 -3.427 -5.829 1.00 0.00 H new ATOM 0 HH TYR A 8 7.404 -1.612 -6.627 1.00 0.00 H new ATOM 127 N TYR A 9 3.786 -3.578 1.946 1.00 0.00 N ATOM 128 CA TYR A 9 2.843 -3.925 2.997 1.00 0.00 C ATOM 129 C TYR A 9 2.964 -2.926 4.139 1.00 0.00 C ATOM 130 O TYR A 9 1.965 -2.299 4.496 1.00 0.00 O ATOM 131 CB TYR A 9 3.035 -5.391 3.406 1.00 0.00 C ATOM 132 CG TYR A 9 2.493 -6.394 2.393 1.00 0.00 C ATOM 133 CD1 TYR A 9 1.218 -6.209 1.820 1.00 0.00 C ATOM 134 CD2 TYR A 9 3.255 -7.523 2.030 1.00 0.00 C ATOM 135 CE1 TYR A 9 0.727 -7.124 0.877 1.00 0.00 C ATOM 136 CE2 TYR A 9 2.737 -8.478 1.136 1.00 0.00 C ATOM 137 CZ TYR A 9 1.467 -8.274 0.551 1.00 0.00 C ATOM 138 OH TYR A 9 0.943 -9.148 -0.354 1.00 0.00 O ATOM 0 H TYR A 9 4.762 -3.666 2.228 1.00 0.00 H new ATOM 0 HA TYR A 9 1.815 -3.852 2.643 1.00 0.00 H new ATOM 0 HB2 TYR A 9 4.098 -5.580 3.555 1.00 0.00 H new ATOM 0 HB3 TYR A 9 2.544 -5.557 4.365 1.00 0.00 H new ATOM 0 HD1 TYR A 9 0.617 -5.359 2.108 1.00 0.00 H new ATOM 0 HD2 TYR A 9 4.245 -7.656 2.442 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -0.225 -6.944 0.399 1.00 0.00 H new ATOM 0 HE2 TYR A 9 3.308 -9.363 0.898 1.00 0.00 H new ATOM 0 HH TYR A 9 1.563 -9.896 -0.484 1.00 0.00 H new ATOM 148 N ASP A 10 4.185 -2.670 4.623 1.00 0.00 N ATOM 149 CA ASP A 10 4.382 -1.682 5.693 1.00 0.00 C ATOM 150 C ASP A 10 3.973 -0.277 5.240 1.00 0.00 C ATOM 151 O ASP A 10 3.517 0.521 6.066 1.00 0.00 O ATOM 152 CB ASP A 10 5.825 -1.684 6.236 1.00 0.00 C ATOM 153 CG ASP A 10 5.819 -2.141 7.691 1.00 0.00 C ATOM 154 OD1 ASP A 10 5.830 -3.378 7.925 1.00 0.00 O ATOM 155 OD2 ASP A 10 5.722 -1.261 8.571 1.00 0.00 O ATOM 0 H ASP A 10 5.039 -3.124 4.298 1.00 0.00 H new ATOM 0 HA ASP A 10 3.729 -1.980 6.513 1.00 0.00 H new ATOM 0 HB2 ASP A 10 6.449 -2.348 5.638 1.00 0.00 H new ATOM 0 HB3 ASP A 10 6.256 -0.686 6.159 1.00 0.00 H new ATOM 160 N VAL A 11 4.025 -0.013 3.921 1.00 0.00 N ATOM 161 CA VAL A 11 3.509 1.195 3.290 1.00 0.00 C ATOM 162 C VAL A 11 2.065 1.381 3.734 1.00 0.00 C ATOM 163 O VAL A 11 1.714 2.410 4.308 1.00 0.00 O ATOM 164 CB VAL A 11 3.630 1.115 1.742 1.00 0.00 C ATOM 165 CG1 VAL A 11 2.878 2.258 1.038 1.00 0.00 C ATOM 166 CG2 VAL A 11 5.087 1.159 1.262 1.00 0.00 C ATOM 0 H VAL A 11 4.442 -0.661 3.253 1.00 0.00 H new ATOM 0 HA VAL A 11 4.098 2.059 3.599 1.00 0.00 H new ATOM 0 HB VAL A 11 3.184 0.156 1.479 1.00 0.00 H new ATOM 0 HG11 VAL A 11 2.992 2.158 -0.041 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.820 2.211 1.297 1.00 0.00 H new ATOM 0 HG13 VAL A 11 3.288 3.215 1.359 1.00 0.00 H new ATOM 0 HG21 VAL A 11 5.114 1.100 0.174 1.00 0.00 H new ATOM 0 HG22 VAL A 11 5.549 2.092 1.586 1.00 0.00 H new ATOM 0 HG23 VAL A 11 5.635 0.317 1.685 1.00 0.00 H new ATOM 176 N LEU A 12 1.232 0.367 3.503 1.00 0.00 N ATOM 177 CA LEU A 12 -0.206 0.414 3.703 1.00 0.00 C ATOM 178 C LEU A 12 -0.602 0.219 5.159 1.00 0.00 C ATOM 179 O LEU A 12 -1.786 0.019 5.423 1.00 0.00 O ATOM 180 CB LEU A 12 -0.882 -0.617 2.777 1.00 0.00 C ATOM 181 CG LEU A 12 -0.795 -0.165 1.305 1.00 0.00 C ATOM 182 CD1 LEU A 12 0.033 -1.132 0.474 1.00 0.00 C ATOM 183 CD2 LEU A 12 -2.170 0.009 0.654 1.00 0.00 C ATOM 0 H LEU A 12 1.556 -0.537 3.160 1.00 0.00 H new ATOM 0 HA LEU A 12 -0.557 1.412 3.440 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.402 -1.588 2.894 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -1.926 -0.741 3.064 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.306 0.809 1.326 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.073 -0.783 -0.558 1.00 0.00 H new ATOM 0 HD12 LEU A 12 1.044 -1.186 0.879 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.424 -2.121 0.505 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -2.045 0.328 -0.381 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.707 -0.939 0.679 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -2.738 0.762 1.200 1.00 0.00 H new ATOM 195 N GLY A 13 0.350 0.250 6.094 1.00 0.00 N ATOM 196 CA GLY A 13 0.072 -0.012 7.492 1.00 0.00 C ATOM 197 C GLY A 13 -0.578 -1.379 7.670 1.00 0.00 C ATOM 198 O GLY A 13 -1.423 -1.534 8.552 1.00 0.00 O ATOM 0 H GLY A 13 1.329 0.457 5.896 1.00 0.00 H new ATOM 0 HA2 GLY A 13 0.998 0.032 8.066 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -0.586 0.762 7.888 1.00 0.00 H new ATOM 202 N VAL A 14 -0.235 -2.354 6.823 1.00 0.00 N ATOM 203 CA VAL A 14 -0.621 -3.741 7.012 1.00 0.00 C ATOM 204 C VAL A 14 0.636 -4.530 7.318 1.00 0.00 C ATOM 205 O VAL A 14 1.745 -4.167 6.932 1.00 0.00 O ATOM 206 CB VAL A 14 -1.425 -4.336 5.836 1.00 0.00 C ATOM 207 CG1 VAL A 14 -2.709 -3.542 5.579 1.00 0.00 C ATOM 208 CG2 VAL A 14 -0.642 -4.436 4.521 1.00 0.00 C ATOM 0 H VAL A 14 0.322 -2.194 5.984 1.00 0.00 H new ATOM 0 HA VAL A 14 -1.317 -3.801 7.848 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.659 -5.352 6.155 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -3.251 -3.987 4.745 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -3.335 -3.563 6.471 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -2.456 -2.510 5.338 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.281 -4.864 3.749 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.318 -3.442 4.214 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.230 -5.074 4.665 1.00 0.00 H new ATOM 218 N LYS A 15 0.468 -5.634 8.025 1.00 0.00 N ATOM 219 CA LYS A 15 1.525 -6.601 8.233 1.00 0.00 C ATOM 220 C LYS A 15 1.813 -7.294 6.903 1.00 0.00 C ATOM 221 O LYS A 15 0.890 -7.464 6.109 1.00 0.00 O ATOM 222 CB LYS A 15 1.201 -7.541 9.413 1.00 0.00 C ATOM 223 CG LYS A 15 -0.285 -7.776 9.744 1.00 0.00 C ATOM 224 CD LYS A 15 -1.015 -8.679 8.759 1.00 0.00 C ATOM 225 CE LYS A 15 -2.526 -8.660 9.047 1.00 0.00 C ATOM 226 NZ LYS A 15 -3.245 -9.816 8.465 1.00 0.00 N ATOM 0 H LYS A 15 -0.414 -5.884 8.473 1.00 0.00 H new ATOM 0 HA LYS A 15 2.451 -6.115 8.541 1.00 0.00 H new ATOM 0 HB2 LYS A 15 1.658 -8.509 9.208 1.00 0.00 H new ATOM 0 HB3 LYS A 15 1.686 -7.142 10.304 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -0.358 -8.212 10.740 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -0.793 -6.812 9.780 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -0.827 -8.345 7.739 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -0.635 -9.698 8.836 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -2.684 -8.648 10.125 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -2.953 -7.738 8.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -3.997 -10.121 9.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -3.666 -9.541 7.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -2.578 -10.600 8.315 1.00 0.00 H new ATOM 240 N PRO A 16 3.045 -7.765 6.653 1.00 0.00 N ATOM 241 CA PRO A 16 3.382 -8.534 5.457 1.00 0.00 C ATOM 242 C PRO A 16 2.694 -9.904 5.390 1.00 0.00 C ATOM 243 O PRO A 16 2.907 -10.637 4.423 1.00 0.00 O ATOM 244 CB PRO A 16 4.910 -8.638 5.459 1.00 0.00 C ATOM 245 CG PRO A 16 5.249 -8.560 6.943 1.00 0.00 C ATOM 246 CD PRO A 16 4.216 -7.583 7.486 1.00 0.00 C ATOM 0 HA PRO A 16 3.014 -8.033 4.562 1.00 0.00 H new ATOM 0 HB2 PRO A 16 5.253 -9.572 5.014 1.00 0.00 H new ATOM 0 HB3 PRO A 16 5.372 -7.828 4.895 1.00 0.00 H new ATOM 0 HG2 PRO A 16 5.173 -9.535 7.425 1.00 0.00 H new ATOM 0 HG3 PRO A 16 6.266 -8.202 7.105 1.00 0.00 H new ATOM 0 HD2 PRO A 16 3.991 -7.790 8.532 1.00 0.00 H new ATOM 0 HD3 PRO A 16 4.580 -6.557 7.435 1.00 0.00 H new ATOM 254 N ASN A 17 1.858 -10.240 6.378 1.00 0.00 N ATOM 255 CA ASN A 17 0.967 -11.394 6.388 1.00 0.00 C ATOM 256 C ASN A 17 -0.482 -10.945 6.146 1.00 0.00 C ATOM 257 O ASN A 17 -1.389 -11.293 6.907 1.00 0.00 O ATOM 258 CB ASN A 17 1.138 -12.165 7.710 1.00 0.00 C ATOM 259 CG ASN A 17 0.589 -13.586 7.605 1.00 0.00 C ATOM 260 OD1 ASN A 17 0.310 -14.103 6.528 1.00 0.00 O ATOM 261 ND2 ASN A 17 0.471 -14.279 8.720 1.00 0.00 N ATOM 0 H ASN A 17 1.784 -9.685 7.231 1.00 0.00 H new ATOM 0 HA ASN A 17 1.225 -12.075 5.577 1.00 0.00 H new ATOM 0 HB2 ASN A 17 2.194 -12.201 7.977 1.00 0.00 H new ATOM 0 HB3 ASN A 17 0.624 -11.634 8.511 1.00 0.00 H new ATOM 0 HD21 ASN A 17 0.148 -15.246 8.688 1.00 0.00 H new ATOM 0 HD22 ASN A 17 0.703 -13.848 9.615 1.00 0.00 H new ATOM 268 N ALA A 18 -0.702 -10.079 5.153 1.00 0.00 N ATOM 269 CA ALA A 18 -2.014 -9.546 4.812 1.00 0.00 C ATOM 270 C ALA A 18 -2.770 -10.524 3.908 1.00 0.00 C ATOM 271 O ALA A 18 -2.173 -11.298 3.161 1.00 0.00 O ATOM 272 CB ALA A 18 -1.849 -8.190 4.117 1.00 0.00 C ATOM 0 H ALA A 18 0.045 -9.725 4.555 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.594 -9.411 5.725 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -2.830 -7.790 3.861 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -1.338 -7.498 4.786 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -1.261 -8.316 3.208 1.00 0.00 H new ATOM 278 N THR A 19 -4.094 -10.464 3.948 1.00 0.00 N ATOM 279 CA THR A 19 -4.970 -11.149 3.007 1.00 0.00 C ATOM 280 C THR A 19 -5.338 -10.192 1.862 1.00 0.00 C ATOM 281 O THR A 19 -5.159 -8.979 1.988 1.00 0.00 O ATOM 282 CB THR A 19 -6.171 -11.750 3.761 1.00 0.00 C ATOM 283 OG1 THR A 19 -6.651 -10.931 4.802 1.00 0.00 O ATOM 284 CG2 THR A 19 -5.806 -13.095 4.395 1.00 0.00 C ATOM 0 H THR A 19 -4.600 -9.926 4.651 1.00 0.00 H new ATOM 0 HA THR A 19 -4.467 -11.994 2.537 1.00 0.00 H new ATOM 0 HB THR A 19 -6.946 -11.856 3.002 1.00 0.00 H new ATOM 0 HG1 THR A 19 -5.955 -10.827 5.484 1.00 0.00 H new ATOM 0 HG21 THR A 19 -6.672 -13.496 4.921 1.00 0.00 H new ATOM 0 HG22 THR A 19 -5.499 -13.793 3.616 1.00 0.00 H new ATOM 0 HG23 THR A 19 -4.987 -12.954 5.100 1.00 0.00 H new ATOM 292 N GLN A 20 -5.851 -10.704 0.733 1.00 0.00 N ATOM 293 CA GLN A 20 -6.101 -9.885 -0.461 1.00 0.00 C ATOM 294 C GLN A 20 -7.073 -8.734 -0.120 1.00 0.00 C ATOM 295 O GLN A 20 -6.942 -7.618 -0.623 1.00 0.00 O ATOM 296 CB GLN A 20 -6.679 -10.711 -1.627 1.00 0.00 C ATOM 297 CG GLN A 20 -6.047 -12.083 -1.911 1.00 0.00 C ATOM 298 CD GLN A 20 -4.637 -12.018 -2.479 1.00 0.00 C ATOM 299 OE1 GLN A 20 -4.446 -12.052 -3.693 1.00 0.00 O ATOM 300 NE2 GLN A 20 -3.633 -11.980 -1.625 1.00 0.00 N ATOM 0 H GLN A 20 -6.102 -11.687 0.623 1.00 0.00 H new ATOM 0 HA GLN A 20 -5.139 -9.484 -0.780 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -7.741 -10.864 -1.436 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -6.601 -10.111 -2.534 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -6.027 -12.659 -0.986 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -6.683 -12.625 -2.611 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -3.817 -11.952 -0.622 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -2.672 -11.978 -1.967 1.00 0.00 H new ATOM 309 N GLU A 21 -8.061 -9.003 0.739 1.00 0.00 N ATOM 310 CA GLU A 21 -9.119 -8.060 1.104 1.00 0.00 C ATOM 311 C GLU A 21 -8.678 -7.065 2.168 1.00 0.00 C ATOM 312 O GLU A 21 -9.222 -5.965 2.273 1.00 0.00 O ATOM 313 CB GLU A 21 -10.291 -8.841 1.688 1.00 0.00 C ATOM 314 CG GLU A 21 -10.884 -9.753 0.624 1.00 0.00 C ATOM 315 CD GLU A 21 -12.178 -10.374 1.109 1.00 0.00 C ATOM 316 OE1 GLU A 21 -12.123 -11.055 2.171 1.00 0.00 O ATOM 317 OE2 GLU A 21 -13.219 -10.128 0.469 1.00 0.00 O ATOM 0 H GLU A 21 -8.148 -9.904 1.210 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.384 -7.513 0.199 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.957 -9.431 2.541 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -11.052 -8.152 2.055 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -11.067 -9.184 -0.288 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -10.171 -10.538 0.372 1.00 0.00 H new ATOM 324 N GLU A 22 -7.693 -7.450 2.971 1.00 0.00 N ATOM 325 CA GLU A 22 -7.135 -6.556 3.976 1.00 0.00 C ATOM 326 C GLU A 22 -6.551 -5.320 3.312 1.00 0.00 C ATOM 327 O GLU A 22 -6.639 -4.241 3.891 1.00 0.00 O ATOM 328 CB GLU A 22 -6.098 -7.259 4.854 1.00 0.00 C ATOM 329 CG GLU A 22 -6.798 -8.016 5.982 1.00 0.00 C ATOM 330 CD GLU A 22 -5.796 -8.719 6.894 1.00 0.00 C ATOM 331 OE1 GLU A 22 -5.016 -9.557 6.389 1.00 0.00 O ATOM 332 OE2 GLU A 22 -5.768 -8.442 8.114 1.00 0.00 O ATOM 0 H GLU A 22 -7.265 -8.375 2.945 1.00 0.00 H new ATOM 0 HA GLU A 22 -7.945 -6.246 4.636 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -5.508 -7.950 4.252 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -5.405 -6.527 5.270 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -7.399 -7.321 6.568 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -7.482 -8.751 5.558 1.00 0.00 H new ATOM 339 N LEU A 23 -6.027 -5.428 2.086 1.00 0.00 N ATOM 340 CA LEU A 23 -5.427 -4.326 1.399 1.00 0.00 C ATOM 341 C LEU A 23 -6.476 -3.278 1.070 1.00 0.00 C ATOM 342 O LEU A 23 -6.247 -2.115 1.380 1.00 0.00 O ATOM 343 CB LEU A 23 -4.729 -4.883 0.155 1.00 0.00 C ATOM 344 CG LEU A 23 -3.255 -5.287 0.340 1.00 0.00 C ATOM 345 CD1 LEU A 23 -2.394 -4.206 1.008 1.00 0.00 C ATOM 346 CD2 LEU A 23 -3.175 -6.598 1.113 1.00 0.00 C ATOM 0 H LEU A 23 -6.017 -6.299 1.555 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.686 -3.823 2.020 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.285 -5.755 -0.191 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.785 -4.135 -0.636 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.837 -5.416 -0.658 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.369 -4.565 1.104 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.407 -3.302 0.398 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.794 -3.982 1.997 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.130 -6.881 1.242 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.641 -6.473 2.091 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.697 -7.379 0.560 1.00 0.00 H new ATOM 358 N LYS A 24 -7.631 -3.645 0.497 1.00 0.00 N ATOM 359 CA LYS A 24 -8.654 -2.646 0.178 1.00 0.00 C ATOM 360 C LYS A 24 -9.124 -1.927 1.439 1.00 0.00 C ATOM 361 O LYS A 24 -9.173 -0.698 1.478 1.00 0.00 O ATOM 362 CB LYS A 24 -9.805 -3.238 -0.656 1.00 0.00 C ATOM 363 CG LYS A 24 -10.799 -4.213 0.009 1.00 0.00 C ATOM 364 CD LYS A 24 -12.234 -3.670 0.089 1.00 0.00 C ATOM 365 CE LYS A 24 -12.931 -3.929 -1.247 1.00 0.00 C ATOM 366 NZ LYS A 24 -14.323 -3.446 -1.264 1.00 0.00 N ATOM 0 H LYS A 24 -7.875 -4.604 0.250 1.00 0.00 H new ATOM 0 HA LYS A 24 -8.200 -1.889 -0.461 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -10.382 -2.404 -1.055 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -9.360 -3.754 -1.507 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -10.805 -5.149 -0.549 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -10.450 -4.444 1.016 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -12.777 -4.156 0.899 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -12.222 -2.602 0.309 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -12.371 -3.441 -2.045 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -12.919 -4.998 -1.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -14.749 -3.646 -2.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -14.867 -3.930 -0.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -14.337 -2.421 -1.091 1.00 0.00 H new ATOM 380 N LYS A 25 -9.461 -2.700 2.473 1.00 0.00 N ATOM 381 CA LYS A 25 -9.896 -2.176 3.771 1.00 0.00 C ATOM 382 C LYS A 25 -8.839 -1.246 4.367 1.00 0.00 C ATOM 383 O LYS A 25 -9.196 -0.156 4.809 1.00 0.00 O ATOM 384 CB LYS A 25 -10.249 -3.307 4.761 1.00 0.00 C ATOM 385 CG LYS A 25 -11.588 -4.006 4.451 1.00 0.00 C ATOM 386 CD LYS A 25 -12.285 -4.560 5.708 1.00 0.00 C ATOM 387 CE LYS A 25 -11.632 -5.811 6.320 1.00 0.00 C ATOM 388 NZ LYS A 25 -12.242 -6.140 7.628 1.00 0.00 N ATOM 0 H LYS A 25 -9.440 -3.719 2.433 1.00 0.00 H new ATOM 0 HA LYS A 25 -10.805 -1.600 3.597 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -9.451 -4.049 4.751 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.289 -2.896 5.770 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -12.254 -3.300 3.955 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -11.411 -4.823 3.751 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -12.311 -3.776 6.465 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -13.319 -4.795 5.457 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -11.745 -6.655 5.639 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -10.562 -5.643 6.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -11.785 -6.987 8.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -12.112 -5.342 8.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -13.258 -6.322 7.501 1.00 0.00 H new ATOM 402 N ALA A 26 -7.562 -1.627 4.384 1.00 0.00 N ATOM 403 CA ALA A 26 -6.506 -0.792 4.941 1.00 0.00 C ATOM 404 C ALA A 26 -6.303 0.461 4.094 1.00 0.00 C ATOM 405 O ALA A 26 -6.248 1.565 4.626 1.00 0.00 O ATOM 406 CB ALA A 26 -5.211 -1.591 5.058 1.00 0.00 C ATOM 0 H ALA A 26 -7.235 -2.519 4.013 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.804 -0.472 5.940 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -4.429 -0.957 5.475 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.370 -2.449 5.712 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -4.908 -1.939 4.071 1.00 0.00 H new ATOM 412 N TYR A 27 -6.250 0.297 2.772 1.00 0.00 N ATOM 413 CA TYR A 27 -6.072 1.368 1.801 1.00 0.00 C ATOM 414 C TYR A 27 -7.118 2.462 2.006 1.00 0.00 C ATOM 415 O TYR A 27 -6.746 3.634 2.040 1.00 0.00 O ATOM 416 CB TYR A 27 -6.090 0.807 0.369 1.00 0.00 C ATOM 417 CG TYR A 27 -6.143 1.883 -0.696 1.00 0.00 C ATOM 418 CD1 TYR A 27 -4.995 2.630 -1.014 1.00 0.00 C ATOM 419 CD2 TYR A 27 -7.367 2.185 -1.315 1.00 0.00 C ATOM 420 CE1 TYR A 27 -5.083 3.716 -1.908 1.00 0.00 C ATOM 421 CE2 TYR A 27 -7.460 3.256 -2.223 1.00 0.00 C ATOM 422 CZ TYR A 27 -6.325 4.046 -2.494 1.00 0.00 C ATOM 423 OH TYR A 27 -6.464 5.156 -3.268 1.00 0.00 O ATOM 0 H TYR A 27 -6.333 -0.621 2.335 1.00 0.00 H new ATOM 0 HA TYR A 27 -5.095 1.826 1.956 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -5.201 0.196 0.214 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -6.952 0.150 0.255 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -4.044 2.371 -0.572 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -8.242 1.592 -1.093 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -4.202 4.295 -2.145 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -8.399 3.472 -2.711 1.00 0.00 H new ATOM 0 HH TYR A 27 -7.389 5.220 -3.586 1.00 0.00 H new ATOM 433 N ARG A 28 -8.394 2.108 2.230 1.00 0.00 N ATOM 434 CA ARG A 28 -9.429 3.064 2.619 1.00 0.00 C ATOM 435 C ARG A 28 -8.965 3.933 3.786 1.00 0.00 C ATOM 436 O ARG A 28 -9.058 5.154 3.713 1.00 0.00 O ATOM 437 CB ARG A 28 -10.721 2.334 3.010 1.00 0.00 C ATOM 438 CG ARG A 28 -11.598 1.732 1.905 1.00 0.00 C ATOM 439 CD ARG A 28 -13.064 1.771 2.369 1.00 0.00 C ATOM 440 NE ARG A 28 -13.975 0.943 1.565 1.00 0.00 N ATOM 441 CZ ARG A 28 -14.413 1.188 0.326 1.00 0.00 C ATOM 442 NH1 ARG A 28 -13.963 2.234 -0.353 1.00 0.00 N ATOM 443 NH2 ARG A 28 -15.293 0.358 -0.222 1.00 0.00 N ATOM 0 H ARG A 28 -8.731 1.149 2.145 1.00 0.00 H new ATOM 0 HA ARG A 28 -9.623 3.705 1.759 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -10.450 1.527 3.691 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -11.337 3.034 3.574 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -11.479 2.294 0.979 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -11.294 0.706 1.697 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -13.113 1.442 3.407 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -13.413 2.803 2.345 1.00 0.00 H new ATOM 0 HE ARG A 28 -14.311 0.085 2.002 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -13.277 2.860 0.069 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -14.303 2.413 -1.298 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -15.625 -0.452 0.302 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -15.637 0.531 -1.167 1.00 0.00 H new ATOM 457 N LYS A 29 -8.498 3.318 4.873 1.00 0.00 N ATOM 458 CA LYS A 29 -8.145 4.004 6.114 1.00 0.00 C ATOM 459 C LYS A 29 -7.039 5.009 5.843 1.00 0.00 C ATOM 460 O LYS A 29 -7.119 6.164 6.254 1.00 0.00 O ATOM 461 CB LYS A 29 -7.700 3.005 7.206 1.00 0.00 C ATOM 462 CG LYS A 29 -8.751 1.934 7.503 1.00 0.00 C ATOM 463 CD LYS A 29 -8.241 0.739 8.323 1.00 0.00 C ATOM 464 CE LYS A 29 -7.882 1.131 9.766 1.00 0.00 C ATOM 465 NZ LYS A 29 -7.752 -0.054 10.648 1.00 0.00 N ATOM 0 H LYS A 29 -8.352 2.309 4.915 1.00 0.00 H new ATOM 0 HA LYS A 29 -9.030 4.523 6.481 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -6.775 2.521 6.892 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -7.478 3.552 8.122 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -9.579 2.397 8.039 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -9.149 1.564 6.558 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -9.004 -0.039 8.340 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -7.363 0.315 7.835 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -6.945 1.689 9.768 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.649 1.796 10.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -7.509 0.255 11.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -8.653 -0.573 10.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -7.002 -0.676 10.285 1.00 0.00 H new ATOM 479 N LEU A 30 -5.975 4.574 5.177 1.00 0.00 N ATOM 480 CA LEU A 30 -4.816 5.428 4.934 1.00 0.00 C ATOM 481 C LEU A 30 -5.150 6.534 3.931 1.00 0.00 C ATOM 482 O LEU A 30 -4.710 7.666 4.102 1.00 0.00 O ATOM 483 CB LEU A 30 -3.589 4.644 4.457 1.00 0.00 C ATOM 484 CG LEU A 30 -2.801 3.839 5.514 1.00 0.00 C ATOM 485 CD1 LEU A 30 -2.487 4.631 6.789 1.00 0.00 C ATOM 486 CD2 LEU A 30 -3.488 2.531 5.903 1.00 0.00 C ATOM 0 H LEU A 30 -5.890 3.632 4.794 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.562 5.876 5.895 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.914 3.952 3.680 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.901 5.348 3.989 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.860 3.613 5.013 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.932 3.999 7.483 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.887 5.505 6.536 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.418 4.953 7.256 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.886 2.011 6.648 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -4.473 2.747 6.318 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.596 1.900 5.020 1.00 0.00 H new ATOM 498 N ALA A 31 -5.939 6.251 2.893 1.00 0.00 N ATOM 499 CA ALA A 31 -6.371 7.273 1.940 1.00 0.00 C ATOM 500 C ALA A 31 -7.226 8.334 2.636 1.00 0.00 C ATOM 501 O ALA A 31 -7.015 9.522 2.407 1.00 0.00 O ATOM 502 CB ALA A 31 -7.125 6.619 0.772 1.00 0.00 C ATOM 0 H ALA A 31 -6.293 5.316 2.691 1.00 0.00 H new ATOM 0 HA ALA A 31 -5.492 7.775 1.536 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -7.443 7.388 0.068 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -6.468 5.912 0.265 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.000 6.092 1.153 1.00 0.00 H new ATOM 508 N LEU A 32 -8.149 7.913 3.508 1.00 0.00 N ATOM 509 CA LEU A 32 -8.950 8.810 4.330 1.00 0.00 C ATOM 510 C LEU A 32 -8.066 9.676 5.229 1.00 0.00 C ATOM 511 O LEU A 32 -8.390 10.842 5.454 1.00 0.00 O ATOM 512 CB LEU A 32 -9.939 8.004 5.197 1.00 0.00 C ATOM 513 CG LEU A 32 -11.198 7.539 4.443 1.00 0.00 C ATOM 514 CD1 LEU A 32 -11.873 6.373 5.181 1.00 0.00 C ATOM 515 CD2 LEU A 32 -12.216 8.674 4.317 1.00 0.00 C ATOM 0 H LEU A 32 -8.359 6.926 3.660 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.507 9.465 3.660 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.425 7.131 5.599 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -10.242 8.615 6.047 1.00 0.00 H new ATOM 0 HG LEU A 32 -10.877 7.221 3.451 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -12.761 6.060 4.631 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -11.177 5.537 5.254 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -12.161 6.694 6.182 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -13.095 8.317 3.780 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -12.510 9.011 5.311 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -11.769 9.504 3.770 1.00 0.00 H new ATOM 527 N LYS A 33 -6.963 9.122 5.750 1.00 0.00 N ATOM 528 CA LYS A 33 -6.004 9.844 6.572 1.00 0.00 C ATOM 529 C LYS A 33 -5.333 10.937 5.735 1.00 0.00 C ATOM 530 O LYS A 33 -5.539 12.121 5.999 1.00 0.00 O ATOM 531 CB LYS A 33 -5.017 8.842 7.214 1.00 0.00 C ATOM 532 CG LYS A 33 -3.954 9.525 8.072 1.00 0.00 C ATOM 533 CD LYS A 33 -3.096 8.528 8.860 1.00 0.00 C ATOM 534 CE LYS A 33 -2.012 9.318 9.599 1.00 0.00 C ATOM 535 NZ LYS A 33 -1.258 8.498 10.569 1.00 0.00 N ATOM 0 H LYS A 33 -6.715 8.143 5.605 1.00 0.00 H new ATOM 0 HA LYS A 33 -6.499 10.355 7.398 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -5.573 8.134 7.828 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -4.528 8.266 6.428 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -3.308 10.127 7.432 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.440 10.209 8.768 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -3.711 7.971 9.567 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -2.645 7.799 8.187 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -1.318 9.739 8.872 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -2.474 10.156 10.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -0.540 9.087 11.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -1.911 8.116 11.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -0.792 7.713 10.071 1.00 0.00 H new ATOM 549 N TYR A 34 -4.532 10.554 4.747 1.00 0.00 N ATOM 550 CA TYR A 34 -3.620 11.455 4.047 1.00 0.00 C ATOM 551 C TYR A 34 -4.297 12.300 2.958 1.00 0.00 C ATOM 552 O TYR A 34 -3.587 12.870 2.130 1.00 0.00 O ATOM 553 CB TYR A 34 -2.470 10.621 3.462 1.00 0.00 C ATOM 554 CG TYR A 34 -1.637 9.889 4.498 1.00 0.00 C ATOM 555 CD1 TYR A 34 -0.857 10.598 5.435 1.00 0.00 C ATOM 556 CD2 TYR A 34 -1.633 8.487 4.517 1.00 0.00 C ATOM 557 CE1 TYR A 34 -0.096 9.907 6.395 1.00 0.00 C ATOM 558 CE2 TYR A 34 -0.860 7.796 5.449 1.00 0.00 C ATOM 559 CZ TYR A 34 -0.105 8.493 6.415 1.00 0.00 C ATOM 560 OH TYR A 34 0.590 7.803 7.360 1.00 0.00 O ATOM 0 H TYR A 34 -4.497 9.594 4.404 1.00 0.00 H new ATOM 0 HA TYR A 34 -3.244 12.178 4.771 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -2.884 9.892 2.765 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -1.817 11.277 2.886 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -0.844 11.678 5.415 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -2.232 7.939 3.805 1.00 0.00 H new ATOM 0 HE1 TYR A 34 0.494 10.455 7.115 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -0.839 6.716 5.431 1.00 0.00 H new ATOM 0 HH TYR A 34 0.467 6.841 7.219 1.00 0.00 H new ATOM 570 N HIS A 35 -5.633 12.364 2.892 1.00 0.00 N ATOM 571 CA HIS A 35 -6.292 12.946 1.730 1.00 0.00 C ATOM 572 C HIS A 35 -5.912 14.436 1.613 1.00 0.00 C ATOM 573 O HIS A 35 -5.956 15.139 2.628 1.00 0.00 O ATOM 574 CB HIS A 35 -7.812 12.764 1.907 1.00 0.00 C ATOM 575 CG HIS A 35 -8.540 12.571 0.606 1.00 0.00 C ATOM 576 ND1 HIS A 35 -9.420 13.452 0.022 1.00 0.00 N ATOM 577 CD2 HIS A 35 -8.432 11.481 -0.214 1.00 0.00 C ATOM 578 CE1 HIS A 35 -9.781 12.931 -1.162 1.00 0.00 C ATOM 579 NE2 HIS A 35 -9.232 11.716 -1.339 1.00 0.00 N ATOM 0 H HIS A 35 -6.264 12.025 3.618 1.00 0.00 H new ATOM 0 HA HIS A 35 -5.976 12.453 0.811 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -7.996 11.903 2.550 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -8.219 13.637 2.418 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -7.837 10.599 -0.027 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -10.426 13.422 -1.876 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -9.371 11.091 -2.133 1.00 0.00 H new ATOM 587 N PRO A 36 -5.708 14.982 0.398 1.00 0.00 N ATOM 588 CA PRO A 36 -5.083 16.298 0.232 1.00 0.00 C ATOM 589 C PRO A 36 -6.011 17.433 0.669 1.00 0.00 C ATOM 590 O PRO A 36 -5.586 18.427 1.256 1.00 0.00 O ATOM 591 CB PRO A 36 -4.728 16.399 -1.256 1.00 0.00 C ATOM 592 CG PRO A 36 -5.669 15.408 -1.936 1.00 0.00 C ATOM 593 CD PRO A 36 -5.799 14.309 -0.888 1.00 0.00 C ATOM 0 HA PRO A 36 -4.199 16.397 0.862 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -4.876 17.411 -1.633 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -3.684 16.142 -1.434 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -6.632 15.860 -2.173 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -5.255 15.031 -2.871 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -6.748 13.782 -0.988 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -5.009 13.566 -0.999 1.00 0.00 H new ATOM 601 N ASP A 37 -7.303 17.234 0.429 1.00 0.00 N ATOM 602 CA ASP A 37 -8.419 18.083 0.825 1.00 0.00 C ATOM 603 C ASP A 37 -8.328 18.532 2.287 1.00 0.00 C ATOM 604 O ASP A 37 -8.575 19.695 2.615 1.00 0.00 O ATOM 605 CB ASP A 37 -9.682 17.254 0.606 1.00 0.00 C ATOM 606 CG ASP A 37 -10.931 17.969 1.105 1.00 0.00 C ATOM 607 OD1 ASP A 37 -11.306 19.006 0.519 1.00 0.00 O ATOM 608 OD2 ASP A 37 -11.579 17.433 2.035 1.00 0.00 O ATOM 0 H ASP A 37 -7.620 16.413 -0.086 1.00 0.00 H new ATOM 0 HA ASP A 37 -8.417 18.998 0.233 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -9.791 17.034 -0.456 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -9.582 16.299 1.121 1.00 0.00 H new ATOM 613 N LYS A 38 -7.909 17.623 3.168 1.00 0.00 N ATOM 614 CA LYS A 38 -7.827 17.829 4.610 1.00 0.00 C ATOM 615 C LYS A 38 -6.387 17.737 5.115 1.00 0.00 C ATOM 616 O LYS A 38 -6.180 17.790 6.332 1.00 0.00 O ATOM 617 CB LYS A 38 -8.784 16.827 5.285 1.00 0.00 C ATOM 618 CG LYS A 38 -10.216 17.391 5.371 1.00 0.00 C ATOM 619 CD LYS A 38 -10.377 18.294 6.603 1.00 0.00 C ATOM 620 CE LYS A 38 -11.539 19.277 6.446 1.00 0.00 C ATOM 621 NZ LYS A 38 -11.600 20.260 7.552 1.00 0.00 N ATOM 0 H LYS A 38 -7.607 16.691 2.885 1.00 0.00 H new ATOM 0 HA LYS A 38 -8.141 18.840 4.871 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -8.792 15.893 4.723 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -8.422 16.593 6.286 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -10.443 17.958 4.468 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.932 16.570 5.421 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -10.542 17.676 7.486 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -9.453 18.848 6.769 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -11.438 19.806 5.498 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -12.477 18.723 6.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -12.403 20.903 7.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -11.723 19.759 8.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -10.717 20.809 7.578 1.00 0.00 H new ATOM 635 N ASN A 39 -5.409 17.587 4.218 1.00 0.00 N ATOM 636 CA ASN A 39 -3.997 17.448 4.544 1.00 0.00 C ATOM 637 C ASN A 39 -3.152 17.762 3.298 1.00 0.00 C ATOM 638 O ASN A 39 -2.611 16.850 2.669 1.00 0.00 O ATOM 639 CB ASN A 39 -3.730 16.025 5.054 1.00 0.00 C ATOM 640 CG ASN A 39 -2.346 15.882 5.662 1.00 0.00 C ATOM 641 OD1 ASN A 39 -1.425 16.667 5.432 1.00 0.00 O ATOM 642 ND2 ASN A 39 -2.202 14.886 6.515 1.00 0.00 N ATOM 0 H ASN A 39 -5.589 17.559 3.214 1.00 0.00 H new ATOM 0 HA ASN A 39 -3.721 18.151 5.330 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -4.481 15.761 5.799 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -3.837 15.320 4.230 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -1.314 14.754 7.000 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -2.978 14.248 6.690 1.00 0.00 H new ATOM 649 N PRO A 40 -3.009 19.038 2.907 1.00 0.00 N ATOM 650 CA PRO A 40 -2.287 19.401 1.687 1.00 0.00 C ATOM 651 C PRO A 40 -0.781 19.114 1.795 1.00 0.00 C ATOM 652 O PRO A 40 -0.082 19.049 0.780 1.00 0.00 O ATOM 653 CB PRO A 40 -2.574 20.894 1.482 1.00 0.00 C ATOM 654 CG PRO A 40 -2.898 21.414 2.884 1.00 0.00 C ATOM 655 CD PRO A 40 -3.528 20.214 3.588 1.00 0.00 C ATOM 0 HA PRO A 40 -2.618 18.806 0.836 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -1.713 21.409 1.056 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -3.409 21.048 0.798 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -2.000 21.754 3.401 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -3.584 22.260 2.847 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -3.267 20.200 4.646 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -4.616 20.252 3.528 1.00 0.00 H new ATOM 663 N ASN A 41 -0.275 18.961 3.021 1.00 0.00 N ATOM 664 CA ASN A 41 1.133 18.857 3.350 1.00 0.00 C ATOM 665 C ASN A 41 1.628 17.433 3.083 1.00 0.00 C ATOM 666 O ASN A 41 2.650 17.259 2.418 1.00 0.00 O ATOM 667 CB ASN A 41 1.341 19.252 4.820 1.00 0.00 C ATOM 668 CG ASN A 41 0.446 20.410 5.261 1.00 0.00 C ATOM 669 OD1 ASN A 41 -0.697 20.191 5.648 1.00 0.00 O ATOM 670 ND2 ASN A 41 0.877 21.657 5.167 1.00 0.00 N ATOM 0 H ASN A 41 -0.872 18.904 3.846 1.00 0.00 H new ATOM 0 HA ASN A 41 1.711 19.536 2.723 1.00 0.00 H new ATOM 0 HB2 ASN A 41 1.145 18.387 5.454 1.00 0.00 H new ATOM 0 HB3 ASN A 41 2.384 19.529 4.972 1.00 0.00 H new ATOM 0 HD21 ASN A 41 0.260 22.430 5.416 1.00 0.00 H new ATOM 0 HD22 ASN A 41 1.827 21.846 4.846 1.00 0.00 H new ATOM 677 N GLU A 42 0.887 16.417 3.544 1.00 0.00 N ATOM 678 CA GLU A 42 1.176 14.997 3.312 1.00 0.00 C ATOM 679 C GLU A 42 0.665 14.526 1.932 1.00 0.00 C ATOM 680 O GLU A 42 0.625 13.325 1.673 1.00 0.00 O ATOM 681 CB GLU A 42 0.651 14.131 4.480 1.00 0.00 C ATOM 682 CG GLU A 42 1.389 14.440 5.801 1.00 0.00 C ATOM 683 CD GLU A 42 1.077 13.475 6.961 1.00 0.00 C ATOM 684 OE1 GLU A 42 -0.089 13.418 7.414 1.00 0.00 O ATOM 685 OE2 GLU A 42 2.013 12.791 7.440 1.00 0.00 O ATOM 0 H GLU A 42 0.047 16.565 4.104 1.00 0.00 H new ATOM 0 HA GLU A 42 2.258 14.869 3.286 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -0.417 14.306 4.611 1.00 0.00 H new ATOM 0 HB3 GLU A 42 0.773 13.076 4.234 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.462 14.423 5.613 1.00 0.00 H new ATOM 0 HG3 GLU A 42 1.136 15.453 6.113 1.00 0.00 H new ATOM 692 N GLY A 43 0.300 15.444 1.029 1.00 0.00 N ATOM 693 CA GLY A 43 -0.278 15.114 -0.268 1.00 0.00 C ATOM 694 C GLY A 43 0.675 14.401 -1.239 1.00 0.00 C ATOM 695 O GLY A 43 0.197 13.596 -2.038 1.00 0.00 O ATOM 0 H GLY A 43 0.401 16.447 1.186 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.152 14.482 -0.110 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.630 16.033 -0.737 1.00 0.00 H new ATOM 699 N GLU A 44 1.998 14.617 -1.191 1.00 0.00 N ATOM 700 CA GLU A 44 2.923 13.840 -2.036 1.00 0.00 C ATOM 701 C GLU A 44 3.035 12.407 -1.509 1.00 0.00 C ATOM 702 O GLU A 44 3.151 11.470 -2.298 1.00 0.00 O ATOM 703 CB GLU A 44 4.319 14.489 -2.155 1.00 0.00 C ATOM 704 CG GLU A 44 4.368 15.591 -3.225 1.00 0.00 C ATOM 705 CD GLU A 44 5.798 16.044 -3.542 1.00 0.00 C ATOM 706 OE1 GLU A 44 6.312 16.905 -2.791 1.00 0.00 O ATOM 707 OE2 GLU A 44 6.400 15.575 -4.539 1.00 0.00 O ATOM 0 H GLU A 44 2.447 15.308 -0.590 1.00 0.00 H new ATOM 0 HA GLU A 44 2.504 13.826 -3.042 1.00 0.00 H new ATOM 0 HB2 GLU A 44 4.603 14.911 -1.191 1.00 0.00 H new ATOM 0 HB3 GLU A 44 5.054 13.721 -2.396 1.00 0.00 H new ATOM 0 HG2 GLU A 44 3.896 15.227 -4.137 1.00 0.00 H new ATOM 0 HG3 GLU A 44 3.787 16.448 -2.885 1.00 0.00 H new ATOM 714 N LYS A 45 2.888 12.205 -0.194 1.00 0.00 N ATOM 715 CA LYS A 45 2.929 10.886 0.448 1.00 0.00 C ATOM 716 C LYS A 45 1.862 9.957 -0.138 1.00 0.00 C ATOM 717 O LYS A 45 2.036 8.736 -0.121 1.00 0.00 O ATOM 718 CB LYS A 45 2.700 11.062 1.957 1.00 0.00 C ATOM 719 CG LYS A 45 3.327 9.970 2.830 1.00 0.00 C ATOM 720 CD LYS A 45 2.680 9.969 4.224 1.00 0.00 C ATOM 721 CE LYS A 45 2.807 11.284 4.994 1.00 0.00 C ATOM 722 NZ LYS A 45 4.119 11.473 5.636 1.00 0.00 N ATOM 0 H LYS A 45 2.734 12.968 0.466 1.00 0.00 H new ATOM 0 HA LYS A 45 3.904 10.432 0.267 1.00 0.00 H new ATOM 0 HB2 LYS A 45 3.103 12.028 2.262 1.00 0.00 H new ATOM 0 HB3 LYS A 45 1.627 11.089 2.147 1.00 0.00 H new ATOM 0 HG2 LYS A 45 3.194 8.996 2.359 1.00 0.00 H new ATOM 0 HG3 LYS A 45 4.400 10.137 2.919 1.00 0.00 H new ATOM 0 HD2 LYS A 45 1.622 9.728 4.117 1.00 0.00 H new ATOM 0 HD3 LYS A 45 3.130 9.173 4.817 1.00 0.00 H new ATOM 0 HE2 LYS A 45 2.625 12.113 4.311 1.00 0.00 H new ATOM 0 HE3 LYS A 45 2.030 11.323 5.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 4.001 12.018 6.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 4.534 10.545 5.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 4.750 11.990 4.991 1.00 0.00 H new ATOM 736 N PHE A 46 0.769 10.512 -0.676 1.00 0.00 N ATOM 737 CA PHE A 46 -0.261 9.756 -1.377 1.00 0.00 C ATOM 738 C PHE A 46 0.338 8.928 -2.516 1.00 0.00 C ATOM 739 O PHE A 46 -0.062 7.782 -2.725 1.00 0.00 O ATOM 740 CB PHE A 46 -1.355 10.694 -1.890 1.00 0.00 C ATOM 741 CG PHE A 46 -2.787 10.188 -1.761 1.00 0.00 C ATOM 742 CD1 PHE A 46 -3.141 8.842 -1.986 1.00 0.00 C ATOM 743 CD2 PHE A 46 -3.807 11.115 -1.498 1.00 0.00 C ATOM 744 CE1 PHE A 46 -4.483 8.426 -1.922 1.00 0.00 C ATOM 745 CE2 PHE A 46 -5.153 10.709 -1.459 1.00 0.00 C ATOM 746 CZ PHE A 46 -5.494 9.362 -1.656 1.00 0.00 C ATOM 0 H PHE A 46 0.578 11.513 -0.633 1.00 0.00 H new ATOM 0 HA PHE A 46 -0.713 9.059 -0.671 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -1.276 11.639 -1.353 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -1.160 10.907 -2.941 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -2.370 8.120 -2.211 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -3.556 12.151 -1.324 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -4.735 7.387 -2.077 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -5.929 11.438 -1.276 1.00 0.00 H new ATOM 0 HZ PHE A 46 -6.526 9.048 -1.603 1.00 0.00 H new ATOM 756 N LYS A 47 1.344 9.454 -3.216 1.00 0.00 N ATOM 757 CA LYS A 47 1.991 8.762 -4.327 1.00 0.00 C ATOM 758 C LYS A 47 2.509 7.382 -3.904 1.00 0.00 C ATOM 759 O LYS A 47 2.207 6.401 -4.599 1.00 0.00 O ATOM 760 CB LYS A 47 3.083 9.654 -4.951 1.00 0.00 C ATOM 761 CG LYS A 47 3.119 9.547 -6.483 1.00 0.00 C ATOM 762 CD LYS A 47 4.350 10.279 -7.041 1.00 0.00 C ATOM 763 CE LYS A 47 4.319 10.570 -8.549 1.00 0.00 C ATOM 764 NZ LYS A 47 3.950 9.408 -9.386 1.00 0.00 N ATOM 0 H LYS A 47 1.734 10.377 -3.026 1.00 0.00 H new ATOM 0 HA LYS A 47 1.250 8.574 -5.104 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.908 10.691 -4.666 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.055 9.371 -4.546 1.00 0.00 H new ATOM 0 HG2 LYS A 47 3.145 8.499 -6.780 1.00 0.00 H new ATOM 0 HG3 LYS A 47 2.210 9.976 -6.906 1.00 0.00 H new ATOM 0 HD2 LYS A 47 4.462 11.224 -6.509 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.236 9.683 -6.822 1.00 0.00 H new ATOM 0 HE2 LYS A 47 3.611 11.377 -8.737 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.301 10.928 -8.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 3.952 9.687 -10.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 4.637 8.642 -9.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 3.000 9.077 -9.121 1.00 0.00 H new ATOM 778 N GLN A 48 3.176 7.277 -2.744 1.00 0.00 N ATOM 779 CA GLN A 48 3.623 6.009 -2.167 1.00 0.00 C ATOM 780 C GLN A 48 2.452 5.040 -1.947 1.00 0.00 C ATOM 781 O GLN A 48 2.638 3.832 -2.120 1.00 0.00 O ATOM 782 CB GLN A 48 4.335 6.260 -0.819 1.00 0.00 C ATOM 783 CG GLN A 48 5.814 6.641 -0.935 1.00 0.00 C ATOM 784 CD GLN A 48 6.724 5.449 -1.210 1.00 0.00 C ATOM 785 OE1 GLN A 48 7.092 5.192 -2.357 1.00 0.00 O ATOM 786 NE2 GLN A 48 7.077 4.682 -0.188 1.00 0.00 N ATOM 0 H GLN A 48 3.422 8.087 -2.175 1.00 0.00 H new ATOM 0 HA GLN A 48 4.316 5.555 -2.876 1.00 0.00 H new ATOM 0 HB2 GLN A 48 3.810 7.055 -0.289 1.00 0.00 H new ATOM 0 HB3 GLN A 48 4.253 5.361 -0.208 1.00 0.00 H new ATOM 0 HG2 GLN A 48 5.932 7.372 -1.735 1.00 0.00 H new ATOM 0 HG3 GLN A 48 6.131 7.126 -0.011 1.00 0.00 H new ATOM 0 HE21 GLN A 48 6.762 4.912 0.755 1.00 0.00 H new ATOM 0 HE22 GLN A 48 7.664 3.862 -0.344 1.00 0.00 H new ATOM 795 N ILE A 49 1.272 5.549 -1.567 1.00 0.00 N ATOM 796 CA ILE A 49 0.082 4.746 -1.270 1.00 0.00 C ATOM 797 C ILE A 49 -0.315 4.007 -2.553 1.00 0.00 C ATOM 798 O ILE A 49 -0.434 2.780 -2.533 1.00 0.00 O ATOM 799 CB ILE A 49 -1.090 5.606 -0.715 1.00 0.00 C ATOM 800 CG1 ILE A 49 -0.650 6.561 0.415 1.00 0.00 C ATOM 801 CG2 ILE A 49 -2.216 4.714 -0.184 1.00 0.00 C ATOM 802 CD1 ILE A 49 -1.760 7.340 1.131 1.00 0.00 C ATOM 0 H ILE A 49 1.117 6.551 -1.456 1.00 0.00 H new ATOM 0 HA ILE A 49 0.314 4.031 -0.480 1.00 0.00 H new ATOM 0 HB ILE A 49 -1.442 6.206 -1.554 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.108 5.979 1.160 1.00 0.00 H new ATOM 0 HG13 ILE A 49 0.055 7.280 -0.003 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -3.024 5.337 0.199 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -2.593 4.085 -0.991 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.833 4.083 0.618 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.321 7.974 1.902 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.292 7.961 0.410 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.457 6.640 1.591 1.00 0.00 H new ATOM 814 N SER A 50 -0.490 4.749 -3.653 1.00 0.00 N ATOM 815 CA SER A 50 -0.798 4.193 -4.967 1.00 0.00 C ATOM 816 C SER A 50 0.266 3.178 -5.372 1.00 0.00 C ATOM 817 O SER A 50 -0.068 2.032 -5.642 1.00 0.00 O ATOM 818 CB SER A 50 -0.953 5.291 -6.034 1.00 0.00 C ATOM 819 OG SER A 50 -0.410 6.545 -5.635 1.00 0.00 O ATOM 0 H SER A 50 -0.420 5.767 -3.651 1.00 0.00 H new ATOM 0 HA SER A 50 -1.759 3.683 -4.897 1.00 0.00 H new ATOM 0 HB2 SER A 50 -0.464 4.967 -6.953 1.00 0.00 H new ATOM 0 HB3 SER A 50 -2.011 5.418 -6.264 1.00 0.00 H new ATOM 0 HG SER A 50 0.496 6.413 -5.286 1.00 0.00 H new ATOM 825 N GLN A 51 1.541 3.581 -5.371 1.00 0.00 N ATOM 826 CA GLN A 51 2.654 2.784 -5.870 1.00 0.00 C ATOM 827 C GLN A 51 2.693 1.387 -5.246 1.00 0.00 C ATOM 828 O GLN A 51 3.057 0.426 -5.919 1.00 0.00 O ATOM 829 CB GLN A 51 3.939 3.572 -5.568 1.00 0.00 C ATOM 830 CG GLN A 51 5.248 2.862 -5.944 1.00 0.00 C ATOM 831 CD GLN A 51 5.409 2.637 -7.444 1.00 0.00 C ATOM 832 OE1 GLN A 51 4.976 3.447 -8.259 1.00 0.00 O ATOM 833 NE2 GLN A 51 6.051 1.564 -7.858 1.00 0.00 N ATOM 0 H GLN A 51 1.829 4.492 -5.014 1.00 0.00 H new ATOM 0 HA GLN A 51 2.544 2.618 -6.942 1.00 0.00 H new ATOM 0 HB2 GLN A 51 3.895 4.523 -6.099 1.00 0.00 H new ATOM 0 HB3 GLN A 51 3.963 3.802 -4.503 1.00 0.00 H new ATOM 0 HG2 GLN A 51 6.089 3.452 -5.581 1.00 0.00 H new ATOM 0 HG3 GLN A 51 5.290 1.900 -5.434 1.00 0.00 H new ATOM 0 HE21 GLN A 51 6.410 0.892 -7.180 1.00 0.00 H new ATOM 0 HE22 GLN A 51 6.189 1.406 -8.856 1.00 0.00 H new ATOM 842 N ALA A 52 2.345 1.276 -3.960 1.00 0.00 N ATOM 843 CA ALA A 52 2.238 -0.017 -3.310 1.00 0.00 C ATOM 844 C ALA A 52 0.974 -0.746 -3.739 1.00 0.00 C ATOM 845 O ALA A 52 1.066 -1.845 -4.286 1.00 0.00 O ATOM 846 CB ALA A 52 2.311 0.141 -1.790 1.00 0.00 C ATOM 0 H ALA A 52 2.134 2.070 -3.356 1.00 0.00 H new ATOM 0 HA ALA A 52 3.083 -0.630 -3.624 1.00 0.00 H new ATOM 0 HB1 ALA A 52 2.229 -0.838 -1.318 1.00 0.00 H new ATOM 0 HB2 ALA A 52 3.263 0.597 -1.517 1.00 0.00 H new ATOM 0 HB3 ALA A 52 1.493 0.777 -1.451 1.00 0.00 H new ATOM 852 N TYR A 53 -0.198 -0.157 -3.482 1.00 0.00 N ATOM 853 CA TYR A 53 -1.472 -0.827 -3.714 1.00 0.00 C ATOM 854 C TYR A 53 -1.639 -1.240 -5.183 1.00 0.00 C ATOM 855 O TYR A 53 -2.341 -2.205 -5.454 1.00 0.00 O ATOM 856 CB TYR A 53 -2.613 0.087 -3.250 1.00 0.00 C ATOM 857 CG TYR A 53 -4.005 -0.520 -3.347 1.00 0.00 C ATOM 858 CD1 TYR A 53 -4.451 -1.477 -2.413 1.00 0.00 C ATOM 859 CD2 TYR A 53 -4.845 -0.135 -4.406 1.00 0.00 C ATOM 860 CE1 TYR A 53 -5.740 -2.034 -2.530 1.00 0.00 C ATOM 861 CE2 TYR A 53 -6.131 -0.682 -4.533 1.00 0.00 C ATOM 862 CZ TYR A 53 -6.584 -1.639 -3.594 1.00 0.00 C ATOM 863 OH TYR A 53 -7.831 -2.169 -3.701 1.00 0.00 O ATOM 0 H TYR A 53 -0.286 0.789 -3.111 1.00 0.00 H new ATOM 0 HA TYR A 53 -1.497 -1.749 -3.133 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -2.430 0.374 -2.215 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.590 1.001 -3.843 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -3.803 -1.784 -1.605 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -4.498 0.588 -5.129 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -6.083 -2.761 -1.809 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -6.773 -0.374 -5.345 1.00 0.00 H new ATOM 0 HH TYR A 53 -8.281 -1.791 -4.486 1.00 0.00 H new ATOM 873 N GLU A 54 -0.961 -0.570 -6.119 1.00 0.00 N ATOM 874 CA GLU A 54 -1.039 -0.830 -7.552 1.00 0.00 C ATOM 875 C GLU A 54 -0.589 -2.266 -7.841 1.00 0.00 C ATOM 876 O GLU A 54 -1.321 -3.038 -8.459 1.00 0.00 O ATOM 877 CB GLU A 54 -0.184 0.214 -8.294 1.00 0.00 C ATOM 878 CG GLU A 54 -0.182 0.078 -9.824 1.00 0.00 C ATOM 879 CD GLU A 54 -1.542 0.310 -10.492 1.00 0.00 C ATOM 880 OE1 GLU A 54 -2.417 1.008 -9.919 1.00 0.00 O ATOM 881 OE2 GLU A 54 -1.727 -0.151 -11.644 1.00 0.00 O ATOM 0 H GLU A 54 -0.323 0.192 -5.889 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.065 -0.738 -7.907 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -0.544 1.209 -8.033 1.00 0.00 H new ATOM 0 HB3 GLU A 54 0.843 0.142 -7.936 1.00 0.00 H new ATOM 0 HG2 GLU A 54 0.535 0.787 -10.237 1.00 0.00 H new ATOM 0 HG3 GLU A 54 0.170 -0.920 -10.086 1.00 0.00 H new ATOM 888 N VAL A 55 0.584 -2.651 -7.331 1.00 0.00 N ATOM 889 CA VAL A 55 1.150 -3.990 -7.496 1.00 0.00 C ATOM 890 C VAL A 55 0.248 -5.048 -6.847 1.00 0.00 C ATOM 891 O VAL A 55 0.251 -6.210 -7.246 1.00 0.00 O ATOM 892 CB VAL A 55 2.587 -4.011 -6.921 1.00 0.00 C ATOM 893 CG1 VAL A 55 3.335 -5.331 -7.179 1.00 0.00 C ATOM 894 CG2 VAL A 55 3.431 -2.891 -7.551 1.00 0.00 C ATOM 0 H VAL A 55 1.177 -2.028 -6.782 1.00 0.00 H new ATOM 0 HA VAL A 55 1.204 -4.238 -8.556 1.00 0.00 H new ATOM 0 HB VAL A 55 2.466 -3.880 -5.846 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.335 -5.273 -6.748 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.789 -6.155 -6.719 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.412 -5.502 -8.253 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.439 -2.918 -7.137 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.478 -3.034 -8.631 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.975 -1.925 -7.333 1.00 0.00 H new ATOM 904 N LEU A 56 -0.542 -4.651 -5.855 1.00 0.00 N ATOM 905 CA LEU A 56 -1.440 -5.533 -5.132 1.00 0.00 C ATOM 906 C LEU A 56 -2.855 -5.520 -5.729 1.00 0.00 C ATOM 907 O LEU A 56 -3.718 -6.246 -5.228 1.00 0.00 O ATOM 908 CB LEU A 56 -1.442 -5.138 -3.647 1.00 0.00 C ATOM 909 CG LEU A 56 -0.042 -4.888 -3.052 1.00 0.00 C ATOM 910 CD1 LEU A 56 -0.161 -4.296 -1.656 1.00 0.00 C ATOM 911 CD2 LEU A 56 0.819 -6.153 -2.995 1.00 0.00 C ATOM 0 H LEU A 56 -0.574 -3.686 -5.527 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.083 -6.559 -5.226 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -2.042 -4.236 -3.524 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.931 -5.926 -3.075 1.00 0.00 H new ATOM 0 HG LEU A 56 0.456 -4.185 -3.720 1.00 0.00 H new ATOM 0 HD11 LEU A 56 0.835 -4.124 -1.247 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.700 -3.350 -1.707 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.703 -4.989 -1.012 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.792 -5.912 -2.567 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.325 -6.902 -2.375 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.954 -6.547 -4.002 1.00 0.00 H new ATOM 923 N SER A 57 -3.141 -4.714 -6.755 1.00 0.00 N ATOM 924 CA SER A 57 -4.487 -4.574 -7.305 1.00 0.00 C ATOM 925 C SER A 57 -4.718 -5.555 -8.462 1.00 0.00 C ATOM 926 O SER A 57 -5.849 -6.002 -8.654 1.00 0.00 O ATOM 927 CB SER A 57 -4.740 -3.111 -7.702 1.00 0.00 C ATOM 928 OG SER A 57 -6.123 -2.797 -7.622 1.00 0.00 O ATOM 0 H SER A 57 -2.442 -4.140 -7.227 1.00 0.00 H new ATOM 0 HA SER A 57 -5.217 -4.835 -6.539 1.00 0.00 H new ATOM 0 HB2 SER A 57 -4.174 -2.449 -7.047 1.00 0.00 H new ATOM 0 HB3 SER A 57 -4.382 -2.938 -8.717 1.00 0.00 H new ATOM 0 HG SER A 57 -6.261 -1.861 -7.877 1.00 0.00 H new ATOM 934 N ASP A 58 -3.673 -5.945 -9.203 1.00 0.00 N ATOM 935 CA ASP A 58 -3.762 -7.104 -10.099 1.00 0.00 C ATOM 936 C ASP A 58 -3.523 -8.364 -9.274 1.00 0.00 C ATOM 937 O ASP A 58 -2.858 -8.321 -8.234 1.00 0.00 O ATOM 938 CB ASP A 58 -2.707 -7.056 -11.214 1.00 0.00 C ATOM 939 CG ASP A 58 -3.046 -7.940 -12.426 1.00 0.00 C ATOM 940 OD1 ASP A 58 -4.035 -8.701 -12.372 1.00 0.00 O ATOM 941 OD2 ASP A 58 -2.273 -7.911 -13.414 1.00 0.00 O ATOM 0 H ASP A 58 -2.765 -5.480 -9.200 1.00 0.00 H new ATOM 0 HA ASP A 58 -4.748 -7.098 -10.563 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -2.592 -6.025 -11.549 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -1.746 -7.368 -10.806 1.00 0.00 H new ATOM 946 N ALA A 59 -4.000 -9.514 -9.737 1.00 0.00 N ATOM 947 CA ALA A 59 -3.562 -10.792 -9.205 1.00 0.00 C ATOM 948 C ALA A 59 -2.197 -11.158 -9.790 1.00 0.00 C ATOM 949 O ALA A 59 -1.327 -11.593 -9.038 1.00 0.00 O ATOM 950 CB ALA A 59 -4.597 -11.875 -9.481 1.00 0.00 C ATOM 0 H ALA A 59 -4.693 -9.584 -10.483 1.00 0.00 H new ATOM 0 HA ALA A 59 -3.459 -10.710 -8.123 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -4.248 -12.824 -9.074 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -5.542 -11.604 -9.010 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.743 -11.973 -10.557 1.00 0.00 H new ATOM 956 N LYS A 60 -1.965 -10.965 -11.097 1.00 0.00 N ATOM 957 CA LYS A 60 -0.700 -11.325 -11.746 1.00 0.00 C ATOM 958 C LYS A 60 0.487 -10.498 -11.282 1.00 0.00 C ATOM 959 O LYS A 60 1.616 -10.985 -11.303 1.00 0.00 O ATOM 960 CB LYS A 60 -0.808 -11.168 -13.268 1.00 0.00 C ATOM 961 CG LYS A 60 -0.773 -12.529 -13.967 1.00 0.00 C ATOM 962 CD LYS A 60 -0.255 -12.397 -15.405 1.00 0.00 C ATOM 963 CE LYS A 60 -0.243 -13.761 -16.096 1.00 0.00 C ATOM 964 NZ LYS A 60 -1.610 -14.274 -16.272 1.00 0.00 N ATOM 0 H LYS A 60 -2.650 -10.555 -11.732 1.00 0.00 H new ATOM 0 HA LYS A 60 -0.524 -12.362 -11.462 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -1.734 -10.651 -13.518 1.00 0.00 H new ATOM 0 HB3 LYS A 60 0.011 -10.548 -13.632 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -0.134 -13.212 -13.408 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -1.773 -12.963 -13.976 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -0.886 -11.705 -15.963 1.00 0.00 H new ATOM 0 HD3 LYS A 60 0.751 -11.977 -15.399 1.00 0.00 H new ATOM 0 HE2 LYS A 60 0.246 -13.677 -17.067 1.00 0.00 H new ATOM 0 HE3 LYS A 60 0.341 -14.467 -15.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -1.601 -15.059 -16.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -1.974 -14.614 -15.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -2.223 -13.513 -16.627 1.00 0.00 H new ATOM 978 N LYS A 61 0.277 -9.237 -10.911 1.00 0.00 N ATOM 979 CA LYS A 61 1.352 -8.475 -10.284 1.00 0.00 C ATOM 980 C LYS A 61 1.666 -9.124 -8.940 1.00 0.00 C ATOM 981 O LYS A 61 2.815 -9.512 -8.711 1.00 0.00 O ATOM 982 CB LYS A 61 0.990 -6.991 -10.129 1.00 0.00 C ATOM 983 CG LYS A 61 0.849 -6.221 -11.453 1.00 0.00 C ATOM 984 CD LYS A 61 1.752 -4.981 -11.534 1.00 0.00 C ATOM 985 CE LYS A 61 3.210 -5.390 -11.757 1.00 0.00 C ATOM 986 NZ LYS A 61 3.462 -5.718 -13.170 1.00 0.00 N ATOM 0 H LYS A 61 -0.602 -8.733 -11.029 1.00 0.00 H new ATOM 0 HA LYS A 61 2.236 -8.497 -10.921 1.00 0.00 H new ATOM 0 HB2 LYS A 61 0.052 -6.916 -9.579 1.00 0.00 H new ATOM 0 HB3 LYS A 61 1.755 -6.506 -9.522 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.086 -6.889 -12.281 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -0.189 -5.914 -11.578 1.00 0.00 H new ATOM 0 HD2 LYS A 61 1.421 -4.336 -12.348 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.668 -4.402 -10.614 1.00 0.00 H new ATOM 0 HE2 LYS A 61 3.869 -4.579 -11.446 1.00 0.00 H new ATOM 0 HE3 LYS A 61 3.448 -6.252 -11.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 4.215 -6.433 -13.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 2.592 -6.093 -13.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 3.757 -4.860 -13.678 1.00 0.00 H new ATOM 1000 N ARG A 62 0.655 -9.301 -8.076 1.00 0.00 N ATOM 1001 CA ARG A 62 0.909 -9.916 -6.770 1.00 0.00 C ATOM 1002 C ARG A 62 1.534 -11.318 -6.897 1.00 0.00 C ATOM 1003 O ARG A 62 2.380 -11.652 -6.081 1.00 0.00 O ATOM 1004 CB ARG A 62 -0.312 -9.899 -5.827 1.00 0.00 C ATOM 1005 CG ARG A 62 0.191 -9.865 -4.370 1.00 0.00 C ATOM 1006 CD ARG A 62 -0.818 -10.286 -3.299 1.00 0.00 C ATOM 1007 NE ARG A 62 -1.569 -9.185 -2.678 1.00 0.00 N ATOM 1008 CZ ARG A 62 -2.802 -8.786 -3.001 1.00 0.00 C ATOM 1009 NH1 ARG A 62 -3.438 -9.343 -4.021 1.00 0.00 N ATOM 1010 NH2 ARG A 62 -3.389 -7.833 -2.287 1.00 0.00 N ATOM 0 H ARG A 62 -0.314 -9.036 -8.251 1.00 0.00 H new ATOM 0 HA ARG A 62 1.651 -9.279 -6.289 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -0.936 -9.029 -6.032 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -0.930 -10.781 -5.993 1.00 0.00 H new ATOM 0 HG2 ARG A 62 1.064 -10.514 -4.293 1.00 0.00 H new ATOM 0 HG3 ARG A 62 0.526 -8.852 -4.146 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -1.528 -10.982 -3.745 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -0.288 -10.829 -2.517 1.00 0.00 H new ATOM 0 HE ARG A 62 -1.103 -8.676 -1.927 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -2.986 -10.080 -4.563 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -4.380 -9.035 -4.264 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -2.898 -7.411 -1.498 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -4.330 -7.523 -2.527 1.00 0.00 H new ATOM 1024 N GLU A 63 1.194 -12.100 -7.923 1.00 0.00 N ATOM 1025 CA GLU A 63 1.651 -13.475 -8.163 1.00 0.00 C ATOM 1026 C GLU A 63 3.178 -13.604 -8.138 1.00 0.00 C ATOM 1027 O GLU A 63 3.700 -14.624 -7.677 1.00 0.00 O ATOM 1028 CB GLU A 63 1.049 -13.934 -9.524 1.00 0.00 C ATOM 1029 CG GLU A 63 1.327 -15.369 -10.005 1.00 0.00 C ATOM 1030 CD GLU A 63 0.716 -15.646 -11.400 1.00 0.00 C ATOM 1031 OE1 GLU A 63 -0.528 -15.832 -11.507 1.00 0.00 O ATOM 1032 OE2 GLU A 63 1.469 -15.715 -12.404 1.00 0.00 O ATOM 0 H GLU A 63 0.557 -11.775 -8.651 1.00 0.00 H new ATOM 0 HA GLU A 63 1.304 -14.122 -7.357 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -0.032 -13.807 -9.467 1.00 0.00 H new ATOM 0 HB3 GLU A 63 1.410 -13.251 -10.293 1.00 0.00 H new ATOM 0 HG2 GLU A 63 2.403 -15.536 -10.042 1.00 0.00 H new ATOM 0 HG3 GLU A 63 0.919 -16.078 -9.284 1.00 0.00 H new ATOM 1039 N LEU A 64 3.900 -12.585 -8.619 1.00 0.00 N ATOM 1040 CA LEU A 64 5.364 -12.588 -8.664 1.00 0.00 C ATOM 1041 C LEU A 64 5.931 -11.828 -7.469 1.00 0.00 C ATOM 1042 O LEU A 64 6.929 -12.247 -6.889 1.00 0.00 O ATOM 1043 CB LEU A 64 5.881 -11.937 -9.955 1.00 0.00 C ATOM 1044 CG LEU A 64 5.836 -12.818 -11.212 1.00 0.00 C ATOM 1045 CD1 LEU A 64 4.434 -13.341 -11.520 1.00 0.00 C ATOM 1046 CD2 LEU A 64 6.361 -12.007 -12.396 1.00 0.00 C ATOM 0 H LEU A 64 3.481 -11.732 -8.989 1.00 0.00 H new ATOM 0 HA LEU A 64 5.691 -13.627 -8.634 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.297 -11.036 -10.144 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.911 -11.621 -9.793 1.00 0.00 H new ATOM 0 HG LEU A 64 6.461 -13.692 -11.031 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.465 -13.957 -12.419 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.077 -13.939 -10.682 1.00 0.00 H new ATOM 0 HD13 LEU A 64 3.759 -12.500 -11.679 1.00 0.00 H new ATOM 0 HD21 LEU A 64 6.335 -12.620 -13.297 1.00 0.00 H new ATOM 0 HD22 LEU A 64 5.736 -11.125 -12.539 1.00 0.00 H new ATOM 0 HD23 LEU A 64 7.387 -11.696 -12.198 1.00 0.00 H new ATOM 1058 N TYR A 65 5.305 -10.710 -7.096 1.00 0.00 N ATOM 1059 CA TYR A 65 5.633 -9.925 -5.909 1.00 0.00 C ATOM 1060 C TYR A 65 5.548 -10.746 -4.607 1.00 0.00 C ATOM 1061 O TYR A 65 6.209 -10.432 -3.611 1.00 0.00 O ATOM 1062 CB TYR A 65 4.711 -8.705 -5.906 1.00 0.00 C ATOM 1063 CG TYR A 65 4.700 -7.989 -4.580 1.00 0.00 C ATOM 1064 CD1 TYR A 65 5.751 -7.121 -4.242 1.00 0.00 C ATOM 1065 CD2 TYR A 65 3.710 -8.310 -3.635 1.00 0.00 C ATOM 1066 CE1 TYR A 65 5.834 -6.602 -2.940 1.00 0.00 C ATOM 1067 CE2 TYR A 65 3.780 -7.789 -2.335 1.00 0.00 C ATOM 1068 CZ TYR A 65 4.857 -6.945 -1.975 1.00 0.00 C ATOM 1069 OH TYR A 65 4.964 -6.481 -0.704 1.00 0.00 O ATOM 0 H TYR A 65 4.531 -10.315 -7.631 1.00 0.00 H new ATOM 0 HA TYR A 65 6.674 -9.604 -5.949 1.00 0.00 H new ATOM 0 HB2 TYR A 65 5.028 -8.013 -6.686 1.00 0.00 H new ATOM 0 HB3 TYR A 65 3.697 -9.020 -6.153 1.00 0.00 H new ATOM 0 HD1 TYR A 65 6.492 -6.854 -4.981 1.00 0.00 H new ATOM 0 HD2 TYR A 65 2.893 -8.960 -3.911 1.00 0.00 H new ATOM 0 HE1 TYR A 65 6.645 -5.940 -2.674 1.00 0.00 H new ATOM 0 HE2 TYR A 65 3.015 -8.031 -1.612 1.00 0.00 H new ATOM 0 HH TYR A 65 4.351 -6.977 -0.122 1.00 0.00 H new ATOM 1079 N ASP A 66 4.762 -11.819 -4.621 1.00 0.00 N ATOM 1080 CA ASP A 66 4.718 -12.834 -3.573 1.00 0.00 C ATOM 1081 C ASP A 66 6.128 -13.336 -3.232 1.00 0.00 C ATOM 1082 O ASP A 66 6.536 -13.280 -2.064 1.00 0.00 O ATOM 1083 CB ASP A 66 3.807 -13.966 -4.056 1.00 0.00 C ATOM 1084 CG ASP A 66 3.674 -15.077 -3.022 1.00 0.00 C ATOM 1085 OD1 ASP A 66 4.545 -15.966 -2.967 1.00 0.00 O ATOM 1086 OD2 ASP A 66 2.619 -15.124 -2.343 1.00 0.00 O ATOM 0 H ASP A 66 4.117 -12.012 -5.387 1.00 0.00 H new ATOM 0 HA ASP A 66 4.316 -12.413 -2.651 1.00 0.00 H new ATOM 0 HB2 ASP A 66 2.820 -13.564 -4.284 1.00 0.00 H new ATOM 0 HB3 ASP A 66 4.204 -14.380 -4.983 1.00 0.00 H new ATOM 1091 N LYS A 67 6.912 -13.698 -4.255 1.00 0.00 N ATOM 1092 CA LYS A 67 8.168 -14.443 -4.122 1.00 0.00 C ATOM 1093 C LYS A 67 9.300 -13.926 -5.027 1.00 0.00 C ATOM 1094 O LYS A 67 10.133 -14.706 -5.492 1.00 0.00 O ATOM 1095 CB LYS A 67 7.882 -15.940 -4.327 1.00 0.00 C ATOM 1096 CG LYS A 67 7.369 -16.257 -5.740 1.00 0.00 C ATOM 1097 CD LYS A 67 7.452 -17.755 -6.036 1.00 0.00 C ATOM 1098 CE LYS A 67 7.430 -17.953 -7.554 1.00 0.00 C ATOM 1099 NZ LYS A 67 7.485 -19.384 -7.912 1.00 0.00 N ATOM 0 H LYS A 67 6.683 -13.474 -5.224 1.00 0.00 H new ATOM 0 HA LYS A 67 8.549 -14.282 -3.113 1.00 0.00 H new ATOM 0 HB2 LYS A 67 8.793 -16.509 -4.139 1.00 0.00 H new ATOM 0 HB3 LYS A 67 7.144 -16.269 -3.595 1.00 0.00 H new ATOM 0 HG2 LYS A 67 6.337 -15.921 -5.839 1.00 0.00 H new ATOM 0 HG3 LYS A 67 7.956 -15.705 -6.475 1.00 0.00 H new ATOM 0 HD2 LYS A 67 8.365 -18.175 -5.613 1.00 0.00 H new ATOM 0 HD3 LYS A 67 6.616 -18.279 -5.574 1.00 0.00 H new ATOM 0 HE2 LYS A 67 6.525 -17.508 -7.967 1.00 0.00 H new ATOM 0 HE3 LYS A 67 8.275 -17.432 -8.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 7.468 -19.484 -8.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 8.361 -19.802 -7.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 6.665 -19.876 -7.504 1.00 0.00 H new