USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=14 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 -121:sc= 1.31 USER MOD Set 1.2: A 65 TYR OH : rot 166:sc= 2.01 USER MOD Single : A 6 THR OG1 : rot -3:sc= 0.524 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= -0.242 X(o=-0.24,f=-0.17) USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.112 USER MOD Single : A 20 GLN : amide:sc= 0.53 K(o=0.53,f=-0.53) USER MOD Single : A 24 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0373) 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 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HD1:sc= -0.181 X(o=-0.18,f=-0.6) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 ASN : amide:sc= 0.929 K(o=0.93,f=-1.5) USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 157:sc= 0.862 (180deg=0.458) USER MOD Single : A 47 LYS NZ :NH3+ -166:sc= -0.0379 (180deg=-0.293) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 SER OG : rot 180:sc= -0.016 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot -36:sc= 0.606 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 78 N THR A 6 10.917 -1.451 3.884 1.00 0.00 N ATOM 79 CA THR A 6 9.873 -2.456 4.057 1.00 0.00 C ATOM 80 C THR A 6 9.066 -2.533 2.761 1.00 0.00 C ATOM 81 O THR A 6 8.907 -1.533 2.046 1.00 0.00 O ATOM 82 CB THR A 6 8.915 -2.147 5.231 1.00 0.00 C ATOM 83 OG1 THR A 6 9.210 -0.931 5.890 1.00 0.00 O ATOM 84 CG2 THR A 6 8.937 -3.281 6.252 1.00 0.00 C ATOM 0 HA THR A 6 10.361 -3.402 4.291 1.00 0.00 H new ATOM 0 HB THR A 6 7.924 -2.049 4.789 1.00 0.00 H new ATOM 0 HG1 THR A 6 10.013 -0.531 5.495 1.00 0.00 H new ATOM 0 HG21 THR A 6 8.257 -3.046 7.071 1.00 0.00 H new ATOM 0 HG22 THR A 6 8.622 -4.208 5.773 1.00 0.00 H new ATOM 0 HG23 THR A 6 9.948 -3.400 6.642 1.00 0.00 H new ATOM 92 N THR A 7 8.494 -3.704 2.520 1.00 0.00 N ATOM 93 CA THR A 7 7.622 -3.961 1.398 1.00 0.00 C ATOM 94 C THR A 7 6.311 -3.174 1.489 1.00 0.00 C ATOM 95 O THR A 7 5.974 -2.534 2.490 1.00 0.00 O ATOM 96 CB THR A 7 7.411 -5.477 1.297 1.00 0.00 C ATOM 97 OG1 THR A 7 6.957 -5.835 0.019 1.00 0.00 O ATOM 98 CG2 THR A 7 6.474 -6.042 2.370 1.00 0.00 C ATOM 0 H THR A 7 8.631 -4.518 3.119 1.00 0.00 H new ATOM 0 HA THR A 7 8.087 -3.607 0.478 1.00 0.00 H new ATOM 0 HB THR A 7 8.389 -5.924 1.475 1.00 0.00 H new ATOM 0 HG1 THR A 7 6.091 -6.288 0.094 1.00 0.00 H new ATOM 0 HG21 THR A 7 6.373 -7.119 2.235 1.00 0.00 H new ATOM 0 HG22 THR A 7 6.887 -5.837 3.358 1.00 0.00 H new ATOM 0 HG23 THR A 7 5.494 -5.572 2.282 1.00 0.00 H new ATOM 106 N TYR A 8 5.537 -3.316 0.420 1.00 0.00 N ATOM 107 CA TYR A 8 4.304 -2.599 0.123 1.00 0.00 C ATOM 108 C TYR A 8 3.243 -2.751 1.220 1.00 0.00 C ATOM 109 O TYR A 8 2.479 -1.820 1.468 1.00 0.00 O ATOM 110 CB TYR A 8 3.783 -3.095 -1.234 1.00 0.00 C ATOM 111 CG TYR A 8 4.696 -2.818 -2.418 1.00 0.00 C ATOM 112 CD1 TYR A 8 5.277 -1.552 -2.636 1.00 0.00 C ATOM 113 CD2 TYR A 8 4.976 -3.866 -3.307 1.00 0.00 C ATOM 114 CE1 TYR A 8 6.133 -1.336 -3.734 1.00 0.00 C ATOM 115 CE2 TYR A 8 5.882 -3.682 -4.361 1.00 0.00 C ATOM 116 CZ TYR A 8 6.465 -2.417 -4.586 1.00 0.00 C ATOM 117 OH TYR A 8 7.391 -2.277 -5.572 1.00 0.00 O ATOM 0 H TYR A 8 5.772 -3.983 -0.315 1.00 0.00 H new ATOM 0 HA TYR A 8 4.520 -1.531 0.081 1.00 0.00 H new ATOM 0 HB2 TYR A 8 3.614 -4.170 -1.170 1.00 0.00 H new ATOM 0 HB3 TYR A 8 2.815 -2.631 -1.425 1.00 0.00 H new ATOM 0 HD1 TYR A 8 5.064 -0.741 -1.955 1.00 0.00 H new ATOM 0 HD2 TYR A 8 4.490 -4.822 -3.179 1.00 0.00 H new ATOM 0 HE1 TYR A 8 6.534 -0.351 -3.925 1.00 0.00 H new ATOM 0 HE2 TYR A 8 6.135 -4.512 -5.004 1.00 0.00 H new ATOM 0 HH TYR A 8 7.487 -3.125 -6.053 1.00 0.00 H new ATOM 127 N TYR A 9 3.203 -3.887 1.914 1.00 0.00 N ATOM 128 CA TYR A 9 2.288 -4.093 3.032 1.00 0.00 C ATOM 129 C TYR A 9 2.517 -3.069 4.144 1.00 0.00 C ATOM 130 O TYR A 9 1.572 -2.419 4.585 1.00 0.00 O ATOM 131 CB TYR A 9 2.459 -5.505 3.587 1.00 0.00 C ATOM 132 CG TYR A 9 1.823 -6.597 2.753 1.00 0.00 C ATOM 133 CD1 TYR A 9 0.425 -6.750 2.748 1.00 0.00 C ATOM 134 CD2 TYR A 9 2.630 -7.540 2.092 1.00 0.00 C ATOM 135 CE1 TYR A 9 -0.172 -7.827 2.073 1.00 0.00 C ATOM 136 CE2 TYR A 9 2.043 -8.626 1.427 1.00 0.00 C ATOM 137 CZ TYR A 9 0.638 -8.767 1.403 1.00 0.00 C ATOM 138 OH TYR A 9 0.074 -9.836 0.783 1.00 0.00 O ATOM 0 H TYR A 9 3.803 -4.688 1.717 1.00 0.00 H new ATOM 0 HA TYR A 9 1.272 -3.963 2.661 1.00 0.00 H new ATOM 0 HB2 TYR A 9 3.524 -5.715 3.684 1.00 0.00 H new ATOM 0 HB3 TYR A 9 2.034 -5.540 4.590 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -0.194 -6.034 3.267 1.00 0.00 H new ATOM 0 HD2 TYR A 9 3.704 -7.428 2.097 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -1.247 -7.935 2.067 1.00 0.00 H new ATOM 0 HE2 TYR A 9 2.666 -9.356 0.932 1.00 0.00 H new ATOM 0 HH TYR A 9 0.775 -10.382 0.370 1.00 0.00 H new ATOM 148 N ASP A 10 3.760 -2.916 4.604 1.00 0.00 N ATOM 149 CA ASP A 10 4.058 -2.063 5.756 1.00 0.00 C ATOM 150 C ASP A 10 3.976 -0.586 5.376 1.00 0.00 C ATOM 151 O ASP A 10 3.689 0.266 6.227 1.00 0.00 O ATOM 152 CB ASP A 10 5.431 -2.400 6.351 1.00 0.00 C ATOM 153 CG ASP A 10 5.277 -2.959 7.766 1.00 0.00 C ATOM 154 OD1 ASP A 10 4.951 -2.157 8.673 1.00 0.00 O ATOM 155 OD2 ASP A 10 5.479 -4.175 7.986 1.00 0.00 O ATOM 0 H ASP A 10 4.577 -3.372 4.196 1.00 0.00 H new ATOM 0 HA ASP A 10 3.305 -2.257 6.520 1.00 0.00 H new ATOM 0 HB2 ASP A 10 5.939 -3.128 5.719 1.00 0.00 H new ATOM 0 HB3 ASP A 10 6.054 -1.506 6.372 1.00 0.00 H new ATOM 160 N VAL A 11 4.146 -0.278 4.084 1.00 0.00 N ATOM 161 CA VAL A 11 3.811 1.017 3.510 1.00 0.00 C ATOM 162 C VAL A 11 2.326 1.274 3.744 1.00 0.00 C ATOM 163 O VAL A 11 1.954 2.328 4.269 1.00 0.00 O ATOM 164 CB VAL A 11 4.201 1.072 2.017 1.00 0.00 C ATOM 165 CG1 VAL A 11 3.617 2.299 1.294 1.00 0.00 C ATOM 166 CG2 VAL A 11 5.719 1.068 1.835 1.00 0.00 C ATOM 0 H VAL A 11 4.526 -0.936 3.404 1.00 0.00 H new ATOM 0 HA VAL A 11 4.379 1.811 3.995 1.00 0.00 H new ATOM 0 HB VAL A 11 3.774 0.174 1.570 1.00 0.00 H new ATOM 0 HG11 VAL A 11 3.924 2.285 0.248 1.00 0.00 H new ATOM 0 HG12 VAL A 11 2.529 2.273 1.353 1.00 0.00 H new ATOM 0 HG13 VAL A 11 3.984 3.209 1.768 1.00 0.00 H new ATOM 0 HG21 VAL A 11 5.958 1.107 0.772 1.00 0.00 H new ATOM 0 HG22 VAL A 11 6.148 1.936 2.336 1.00 0.00 H new ATOM 0 HG23 VAL A 11 6.135 0.158 2.267 1.00 0.00 H new ATOM 176 N LEU A 12 1.474 0.299 3.424 1.00 0.00 N ATOM 177 CA LEU A 12 0.036 0.346 3.648 1.00 0.00 C ATOM 178 C LEU A 12 -0.345 0.162 5.123 1.00 0.00 C ATOM 179 O LEU A 12 -1.530 0.030 5.443 1.00 0.00 O ATOM 180 CB LEU A 12 -0.664 -0.681 2.740 1.00 0.00 C ATOM 181 CG LEU A 12 -0.535 -0.325 1.246 1.00 0.00 C ATOM 182 CD1 LEU A 12 -0.903 -1.530 0.388 1.00 0.00 C ATOM 183 CD2 LEU A 12 -1.453 0.837 0.869 1.00 0.00 C ATOM 0 H LEU A 12 1.780 -0.571 2.988 1.00 0.00 H new ATOM 0 HA LEU A 12 -0.311 1.345 3.383 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.236 -1.668 2.914 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -1.719 -0.740 3.007 1.00 0.00 H new ATOM 0 HG LEU A 12 0.500 -0.033 1.067 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.809 -1.269 -0.666 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.233 -2.358 0.618 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.931 -1.826 0.598 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.338 1.063 -0.191 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.488 0.563 1.071 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.189 1.715 1.458 1.00 0.00 H new ATOM 195 N GLY A 13 0.629 0.179 6.035 1.00 0.00 N ATOM 196 CA GLY A 13 0.394 0.157 7.465 1.00 0.00 C ATOM 197 C GLY A 13 -0.231 -1.153 7.924 1.00 0.00 C ATOM 198 O GLY A 13 -0.837 -1.180 9.000 1.00 0.00 O ATOM 0 H GLY A 13 1.618 0.209 5.788 1.00 0.00 H new ATOM 0 HA2 GLY A 13 1.337 0.311 7.989 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -0.261 0.985 7.737 1.00 0.00 H new ATOM 202 N VAL A 14 -0.101 -2.234 7.155 1.00 0.00 N ATOM 203 CA VAL A 14 -0.568 -3.559 7.526 1.00 0.00 C ATOM 204 C VAL A 14 0.635 -4.491 7.612 1.00 0.00 C ATOM 205 O VAL A 14 1.618 -4.320 6.891 1.00 0.00 O ATOM 206 CB VAL A 14 -1.657 -4.064 6.556 1.00 0.00 C ATOM 207 CG1 VAL A 14 -2.967 -3.283 6.717 1.00 0.00 C ATOM 208 CG2 VAL A 14 -1.247 -4.025 5.079 1.00 0.00 C ATOM 0 H VAL A 14 0.343 -2.206 6.237 1.00 0.00 H new ATOM 0 HA VAL A 14 -1.047 -3.527 8.505 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.801 -5.108 6.834 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -3.709 -3.668 6.017 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -3.336 -3.398 7.736 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -2.789 -2.227 6.512 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -2.067 -4.396 4.464 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -1.014 -2.999 4.793 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.368 -4.652 4.929 1.00 0.00 H new ATOM 218 N LYS A 15 0.558 -5.493 8.490 1.00 0.00 N ATOM 219 CA LYS A 15 1.577 -6.538 8.535 1.00 0.00 C ATOM 220 C LYS A 15 1.687 -7.216 7.156 1.00 0.00 C ATOM 221 O LYS A 15 0.669 -7.405 6.493 1.00 0.00 O ATOM 222 CB LYS A 15 1.325 -7.531 9.693 1.00 0.00 C ATOM 223 CG LYS A 15 -0.124 -7.779 10.164 1.00 0.00 C ATOM 224 CD LYS A 15 -1.032 -8.397 9.100 1.00 0.00 C ATOM 225 CE LYS A 15 -2.510 -8.451 9.490 1.00 0.00 C ATOM 226 NZ LYS A 15 -2.807 -9.434 10.546 1.00 0.00 N ATOM 0 H LYS A 15 -0.192 -5.601 9.172 1.00 0.00 H new ATOM 0 HA LYS A 15 2.546 -6.088 8.752 1.00 0.00 H new ATOM 0 HB2 LYS A 15 1.745 -8.493 9.399 1.00 0.00 H new ATOM 0 HB3 LYS A 15 1.896 -7.184 10.554 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -0.104 -8.435 11.034 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -0.556 -6.832 10.489 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -0.932 -7.826 8.177 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -0.687 -9.409 8.887 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -2.824 -7.463 9.826 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -3.102 -8.690 8.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -3.825 -9.417 10.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -2.537 -10.385 10.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -2.269 -9.196 11.403 1.00 0.00 H new ATOM 240 N PRO A 16 2.863 -7.699 6.725 1.00 0.00 N ATOM 241 CA PRO A 16 3.019 -8.466 5.483 1.00 0.00 C ATOM 242 C PRO A 16 2.356 -9.852 5.482 1.00 0.00 C ATOM 243 O PRO A 16 2.454 -10.609 4.509 1.00 0.00 O ATOM 244 CB PRO A 16 4.523 -8.504 5.206 1.00 0.00 C ATOM 245 CG PRO A 16 5.152 -8.275 6.575 1.00 0.00 C ATOM 246 CD PRO A 16 4.157 -7.365 7.281 1.00 0.00 C ATOM 0 HA PRO A 16 2.477 -7.974 4.675 1.00 0.00 H new ATOM 0 HB2 PRO A 16 4.827 -9.461 4.781 1.00 0.00 H new ATOM 0 HB3 PRO A 16 4.818 -7.732 4.496 1.00 0.00 H new ATOM 0 HG2 PRO A 16 5.290 -9.212 7.114 1.00 0.00 H new ATOM 0 HG3 PRO A 16 6.133 -7.808 6.492 1.00 0.00 H new ATOM 0 HD2 PRO A 16 4.174 -7.527 8.359 1.00 0.00 H new ATOM 0 HD3 PRO A 16 4.397 -6.315 7.112 1.00 0.00 H new ATOM 254 N ASN A 17 1.661 -10.195 6.565 1.00 0.00 N ATOM 255 CA ASN A 17 0.750 -11.333 6.649 1.00 0.00 C ATOM 256 C ASN A 17 -0.718 -10.943 6.415 1.00 0.00 C ATOM 257 O ASN A 17 -1.605 -11.790 6.532 1.00 0.00 O ATOM 258 CB ASN A 17 0.972 -12.051 7.991 1.00 0.00 C ATOM 259 CG ASN A 17 0.355 -13.441 7.993 1.00 0.00 C ATOM 260 OD1 ASN A 17 -0.483 -13.751 8.834 1.00 0.00 O ATOM 261 ND2 ASN A 17 0.772 -14.302 7.082 1.00 0.00 N ATOM 0 H ASN A 17 1.719 -9.670 7.437 1.00 0.00 H new ATOM 0 HA ASN A 17 0.979 -12.025 5.839 1.00 0.00 H new ATOM 0 HB2 ASN A 17 2.041 -12.127 8.191 1.00 0.00 H new ATOM 0 HB3 ASN A 17 0.538 -11.459 8.797 1.00 0.00 H new ATOM 0 HD21 ASN A 17 0.396 -15.250 7.067 1.00 0.00 H new ATOM 0 HD22 ASN A 17 1.470 -14.019 6.394 1.00 0.00 H new ATOM 268 N ALA A 18 -0.983 -9.672 6.087 1.00 0.00 N ATOM 269 CA ALA A 18 -2.276 -9.212 5.610 1.00 0.00 C ATOM 270 C ALA A 18 -2.606 -9.860 4.269 1.00 0.00 C ATOM 271 O ALA A 18 -1.780 -10.510 3.630 1.00 0.00 O ATOM 272 CB ALA A 18 -2.291 -7.685 5.485 1.00 0.00 C ATOM 0 H ALA A 18 -0.287 -8.929 6.150 1.00 0.00 H new ATOM 0 HA ALA A 18 -3.036 -9.504 6.334 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -3.267 -7.359 5.126 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -2.095 -7.238 6.460 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -1.522 -7.370 4.780 1.00 0.00 H new ATOM 278 N THR A 19 -3.841 -9.646 3.845 1.00 0.00 N ATOM 279 CA THR A 19 -4.473 -10.316 2.731 1.00 0.00 C ATOM 280 C THR A 19 -5.154 -9.283 1.827 1.00 0.00 C ATOM 281 O THR A 19 -5.269 -8.111 2.198 1.00 0.00 O ATOM 282 CB THR A 19 -5.433 -11.359 3.319 1.00 0.00 C ATOM 283 OG1 THR A 19 -6.176 -10.868 4.408 1.00 0.00 O ATOM 284 CG2 THR A 19 -4.654 -12.596 3.785 1.00 0.00 C ATOM 0 H THR A 19 -4.456 -8.967 4.293 1.00 0.00 H new ATOM 0 HA THR A 19 -3.757 -10.834 2.093 1.00 0.00 H new ATOM 0 HB THR A 19 -6.129 -11.615 2.520 1.00 0.00 H new ATOM 0 HG1 THR A 19 -6.771 -11.572 4.742 1.00 0.00 H new ATOM 0 HG21 THR A 19 -5.347 -13.328 4.200 1.00 0.00 H new ATOM 0 HG22 THR A 19 -4.127 -13.035 2.938 1.00 0.00 H new ATOM 0 HG23 THR A 19 -3.933 -12.305 4.549 1.00 0.00 H new ATOM 292 N GLN A 20 -5.626 -9.686 0.643 1.00 0.00 N ATOM 293 CA GLN A 20 -6.216 -8.763 -0.329 1.00 0.00 C ATOM 294 C GLN A 20 -7.444 -8.051 0.256 1.00 0.00 C ATOM 295 O GLN A 20 -7.704 -6.894 -0.086 1.00 0.00 O ATOM 296 CB GLN A 20 -6.575 -9.492 -1.635 1.00 0.00 C ATOM 297 CG GLN A 20 -5.395 -10.209 -2.306 1.00 0.00 C ATOM 298 CD GLN A 20 -4.328 -9.226 -2.770 1.00 0.00 C ATOM 299 OE1 GLN A 20 -3.294 -9.057 -2.137 1.00 0.00 O ATOM 300 NE2 GLN A 20 -4.561 -8.533 -3.864 1.00 0.00 N ATOM 0 H GLN A 20 -5.610 -10.658 0.333 1.00 0.00 H new ATOM 0 HA GLN A 20 -5.469 -8.004 -0.561 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -7.357 -10.222 -1.426 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -6.992 -8.770 -2.337 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -4.955 -10.920 -1.606 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -5.756 -10.784 -3.159 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -5.425 -8.679 -4.386 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -3.878 -7.849 -4.190 1.00 0.00 H new ATOM 309 N GLU A 21 -8.181 -8.705 1.159 1.00 0.00 N ATOM 310 CA GLU A 21 -9.277 -8.077 1.882 1.00 0.00 C ATOM 311 C GLU A 21 -8.769 -6.927 2.743 1.00 0.00 C ATOM 312 O GLU A 21 -9.252 -5.798 2.663 1.00 0.00 O ATOM 313 CB GLU A 21 -9.938 -9.068 2.842 1.00 0.00 C ATOM 314 CG GLU A 21 -10.757 -10.163 2.200 1.00 0.00 C ATOM 315 CD GLU A 21 -12.023 -10.343 3.027 1.00 0.00 C ATOM 316 OE1 GLU A 21 -11.973 -10.927 4.134 1.00 0.00 O ATOM 317 OE2 GLU A 21 -13.043 -9.751 2.607 1.00 0.00 O ATOM 0 H GLU A 21 -8.030 -9.683 1.405 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.984 -7.726 1.130 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.159 -9.531 3.448 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.582 -8.511 3.522 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -11.006 -9.901 1.172 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -10.189 -11.093 2.163 1.00 0.00 H new ATOM 324 N GLU A 22 -7.827 -7.277 3.610 1.00 0.00 N ATOM 325 CA GLU A 22 -7.285 -6.473 4.682 1.00 0.00 C ATOM 326 C GLU A 22 -6.647 -5.220 4.081 1.00 0.00 C ATOM 327 O GLU A 22 -6.887 -4.107 4.550 1.00 0.00 O ATOM 328 CB GLU A 22 -6.284 -7.362 5.436 1.00 0.00 C ATOM 329 CG GLU A 22 -6.955 -8.540 6.162 1.00 0.00 C ATOM 330 CD GLU A 22 -7.801 -8.125 7.362 1.00 0.00 C ATOM 331 OE1 GLU A 22 -7.210 -7.902 8.444 1.00 0.00 O ATOM 332 OE2 GLU A 22 -9.045 -7.985 7.240 1.00 0.00 O ATOM 0 H GLU A 22 -7.394 -8.200 3.574 1.00 0.00 H new ATOM 0 HA GLU A 22 -8.043 -6.128 5.386 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -5.547 -7.749 4.732 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -5.743 -6.755 6.162 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -7.585 -9.079 5.454 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -6.184 -9.235 6.496 1.00 0.00 H new ATOM 339 N LEU A 23 -5.925 -5.404 2.972 1.00 0.00 N ATOM 340 CA LEU A 23 -5.385 -4.370 2.104 1.00 0.00 C ATOM 341 C LEU A 23 -6.485 -3.438 1.611 1.00 0.00 C ATOM 342 O LEU A 23 -6.386 -2.225 1.788 1.00 0.00 O ATOM 343 CB LEU A 23 -4.690 -5.035 0.904 1.00 0.00 C ATOM 344 CG LEU A 23 -3.309 -5.627 1.233 1.00 0.00 C ATOM 345 CD1 LEU A 23 -2.932 -6.640 0.149 1.00 0.00 C ATOM 346 CD2 LEU A 23 -2.268 -4.509 1.291 1.00 0.00 C ATOM 0 H LEU A 23 -5.691 -6.340 2.641 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.668 -3.776 2.670 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.332 -5.827 0.518 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.579 -4.299 0.108 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.341 -6.125 2.202 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.954 -7.066 0.373 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.676 -7.436 0.120 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.897 -6.141 -0.819 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.291 -4.933 1.524 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.223 -4.003 0.326 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.546 -3.792 2.064 1.00 0.00 H new ATOM 358 N LYS A 24 -7.534 -3.963 0.967 1.00 0.00 N ATOM 359 CA LYS A 24 -8.576 -3.123 0.372 1.00 0.00 C ATOM 360 C LYS A 24 -9.295 -2.292 1.433 1.00 0.00 C ATOM 361 O LYS A 24 -9.621 -1.130 1.171 1.00 0.00 O ATOM 362 CB LYS A 24 -9.520 -3.993 -0.471 1.00 0.00 C ATOM 363 CG LYS A 24 -10.515 -3.178 -1.314 1.00 0.00 C ATOM 364 CD LYS A 24 -11.913 -3.083 -0.682 1.00 0.00 C ATOM 365 CE LYS A 24 -12.747 -1.929 -1.253 1.00 0.00 C ATOM 366 NZ LYS A 24 -12.780 -1.876 -2.730 1.00 0.00 N ATOM 0 H LYS A 24 -7.682 -4.965 0.845 1.00 0.00 H new ATOM 0 HA LYS A 24 -8.120 -2.397 -0.301 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -8.926 -4.624 -1.133 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -10.075 -4.658 0.190 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -10.120 -2.172 -1.458 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -10.600 -3.631 -2.302 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -12.443 -4.022 -0.841 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -11.811 -2.953 0.395 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -13.768 -2.015 -0.881 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -12.349 -0.987 -0.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -13.416 -1.112 -3.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -11.822 -1.694 -3.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -13.125 -2.784 -3.102 1.00 0.00 H new ATOM 380 N LYS A 25 -9.529 -2.844 2.628 1.00 0.00 N ATOM 381 CA LYS A 25 -10.049 -2.073 3.758 1.00 0.00 C ATOM 382 C LYS A 25 -9.047 -0.993 4.163 1.00 0.00 C ATOM 383 O LYS A 25 -9.440 0.174 4.261 1.00 0.00 O ATOM 384 CB LYS A 25 -10.371 -2.993 4.944 1.00 0.00 C ATOM 385 CG LYS A 25 -11.553 -3.936 4.678 1.00 0.00 C ATOM 386 CD LYS A 25 -12.060 -4.500 6.008 1.00 0.00 C ATOM 387 CE LYS A 25 -13.130 -5.575 5.809 1.00 0.00 C ATOM 388 NZ LYS A 25 -13.915 -5.811 7.039 1.00 0.00 N ATOM 0 H LYS A 25 -9.365 -3.829 2.837 1.00 0.00 H new ATOM 0 HA LYS A 25 -10.976 -1.588 3.451 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -9.489 -3.586 5.184 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.592 -2.382 5.819 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -12.354 -3.400 4.169 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -11.244 -4.748 4.020 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -11.223 -4.921 6.565 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -12.469 -3.690 6.612 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -13.800 -5.274 5.004 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -12.655 -6.506 5.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -14.628 -6.546 6.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -13.280 -6.123 7.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -14.390 -4.930 7.322 1.00 0.00 H new ATOM 402 N ALA A 26 -7.784 -1.364 4.399 1.00 0.00 N ATOM 403 CA ALA A 26 -6.731 -0.496 4.919 1.00 0.00 C ATOM 404 C ALA A 26 -6.502 0.703 4.009 1.00 0.00 C ATOM 405 O ALA A 26 -6.499 1.837 4.488 1.00 0.00 O ATOM 406 CB ALA A 26 -5.421 -1.278 5.078 1.00 0.00 C ATOM 0 H ALA A 26 -7.458 -2.315 4.225 1.00 0.00 H new ATOM 0 HA ALA A 26 -7.056 -0.133 5.894 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -4.647 -0.616 5.466 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.573 -2.105 5.772 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -5.111 -1.669 4.109 1.00 0.00 H new ATOM 412 N TYR A 27 -6.346 0.447 2.705 1.00 0.00 N ATOM 413 CA TYR A 27 -6.037 1.432 1.682 1.00 0.00 C ATOM 414 C TYR A 27 -6.956 2.631 1.831 1.00 0.00 C ATOM 415 O TYR A 27 -6.489 3.748 2.006 1.00 0.00 O ATOM 416 CB TYR A 27 -6.175 0.831 0.277 1.00 0.00 C ATOM 417 CG TYR A 27 -5.955 1.882 -0.796 1.00 0.00 C ATOM 418 CD1 TYR A 27 -7.023 2.652 -1.296 1.00 0.00 C ATOM 419 CD2 TYR A 27 -4.647 2.169 -1.204 1.00 0.00 C ATOM 420 CE1 TYR A 27 -6.785 3.692 -2.214 1.00 0.00 C ATOM 421 CE2 TYR A 27 -4.396 3.209 -2.116 1.00 0.00 C ATOM 422 CZ TYR A 27 -5.463 3.972 -2.630 1.00 0.00 C ATOM 423 OH TYR A 27 -5.196 4.987 -3.496 1.00 0.00 O ATOM 0 H TYR A 27 -6.437 -0.495 2.326 1.00 0.00 H new ATOM 0 HA TYR A 27 -5.003 1.751 1.811 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -5.453 0.024 0.152 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -7.166 0.393 0.162 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -8.032 2.443 -0.973 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -3.824 1.587 -0.815 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -7.609 4.274 -2.599 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -3.383 3.424 -2.423 1.00 0.00 H new ATOM 0 HH TYR A 27 -4.231 5.028 -3.665 1.00 0.00 H new ATOM 433 N ARG A 28 -8.270 2.398 1.821 1.00 0.00 N ATOM 434 CA ARG A 28 -9.284 3.424 1.960 1.00 0.00 C ATOM 435 C ARG A 28 -9.037 4.314 3.170 1.00 0.00 C ATOM 436 O ARG A 28 -9.069 5.534 3.060 1.00 0.00 O ATOM 437 CB ARG A 28 -10.646 2.717 2.041 1.00 0.00 C ATOM 438 CG ARG A 28 -11.466 3.088 0.814 1.00 0.00 C ATOM 439 CD ARG A 28 -12.863 2.508 0.967 1.00 0.00 C ATOM 440 NE ARG A 28 -13.734 2.897 -0.140 1.00 0.00 N ATOM 441 CZ ARG A 28 -15.019 2.564 -0.232 1.00 0.00 C ATOM 442 NH1 ARG A 28 -15.590 1.783 0.677 1.00 0.00 N ATOM 443 NH2 ARG A 28 -15.742 3.026 -1.237 1.00 0.00 N ATOM 0 H ARG A 28 -8.660 1.462 1.713 1.00 0.00 H new ATOM 0 HA ARG A 28 -9.256 4.092 1.099 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -10.508 1.637 2.090 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -11.171 3.013 2.949 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -11.516 4.172 0.707 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -10.993 2.700 -0.088 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -12.802 1.421 1.017 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -13.297 2.847 1.908 1.00 0.00 H new ATOM 0 HE ARG A 28 -13.331 3.459 -0.890 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -15.042 1.428 1.461 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -16.576 1.537 0.591 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -15.314 3.634 -1.936 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -16.728 2.775 -1.314 1.00 0.00 H new ATOM 457 N LYS A 29 -8.786 3.709 4.326 1.00 0.00 N ATOM 458 CA LYS A 29 -8.632 4.418 5.590 1.00 0.00 C ATOM 459 C LYS A 29 -7.418 5.328 5.489 1.00 0.00 C ATOM 460 O LYS A 29 -7.496 6.499 5.844 1.00 0.00 O ATOM 461 CB LYS A 29 -8.511 3.414 6.753 1.00 0.00 C ATOM 462 CG LYS A 29 -9.713 2.451 6.771 1.00 0.00 C ATOM 463 CD LYS A 29 -9.517 1.211 7.639 1.00 0.00 C ATOM 464 CE LYS A 29 -9.551 1.568 9.125 1.00 0.00 C ATOM 465 NZ LYS A 29 -9.503 0.355 9.961 1.00 0.00 N ATOM 0 H LYS A 29 -8.682 2.698 4.412 1.00 0.00 H new ATOM 0 HA LYS A 29 -9.509 5.032 5.794 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.586 2.846 6.655 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -8.456 3.952 7.699 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -10.591 2.992 7.125 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -9.924 2.134 5.750 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -10.297 0.482 7.419 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -8.564 0.741 7.397 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -8.707 2.214 9.367 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -10.458 2.131 9.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -9.527 0.624 10.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -10.322 -0.248 9.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -8.626 -0.168 9.764 1.00 0.00 H new ATOM 479 N LEU A 30 -6.301 4.809 4.980 1.00 0.00 N ATOM 480 CA LEU A 30 -5.088 5.598 4.802 1.00 0.00 C ATOM 481 C LEU A 30 -5.224 6.654 3.709 1.00 0.00 C ATOM 482 O LEU A 30 -4.722 7.756 3.887 1.00 0.00 O ATOM 483 CB LEU A 30 -3.877 4.701 4.550 1.00 0.00 C ATOM 484 CG LEU A 30 -3.453 3.883 5.783 1.00 0.00 C ATOM 485 CD1 LEU A 30 -2.188 3.105 5.441 1.00 0.00 C ATOM 486 CD2 LEU A 30 -3.197 4.763 7.016 1.00 0.00 C ATOM 0 H LEU A 30 -6.214 3.837 4.682 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.930 6.135 5.737 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -4.104 4.018 3.731 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -3.038 5.318 4.227 1.00 0.00 H new ATOM 0 HG LEU A 30 -4.272 3.209 6.036 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.875 2.520 6.306 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.387 2.436 4.604 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.395 3.801 5.168 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.901 4.135 7.856 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -2.401 5.474 6.796 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -4.107 5.305 7.271 1.00 0.00 H new ATOM 498 N ALA A 31 -5.912 6.367 2.606 1.00 0.00 N ATOM 499 CA ALA A 31 -6.189 7.331 1.550 1.00 0.00 C ATOM 500 C ALA A 31 -6.969 8.515 2.118 1.00 0.00 C ATOM 501 O ALA A 31 -6.667 9.659 1.803 1.00 0.00 O ATOM 502 CB ALA A 31 -6.957 6.645 0.412 1.00 0.00 C ATOM 0 H ALA A 31 -6.298 5.441 2.420 1.00 0.00 H new ATOM 0 HA ALA A 31 -5.252 7.712 1.144 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -7.163 7.369 -0.376 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -6.357 5.829 0.008 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -7.897 6.249 0.795 1.00 0.00 H new ATOM 508 N LEU A 32 -7.955 8.255 2.980 1.00 0.00 N ATOM 509 CA LEU A 32 -8.711 9.291 3.668 1.00 0.00 C ATOM 510 C LEU A 32 -7.881 9.964 4.770 1.00 0.00 C ATOM 511 O LEU A 32 -8.079 11.152 5.038 1.00 0.00 O ATOM 512 CB LEU A 32 -10.003 8.689 4.240 1.00 0.00 C ATOM 513 CG LEU A 32 -11.026 8.224 3.185 1.00 0.00 C ATOM 514 CD1 LEU A 32 -12.243 7.596 3.879 1.00 0.00 C ATOM 515 CD2 LEU A 32 -11.498 9.364 2.280 1.00 0.00 C ATOM 0 H LEU A 32 -8.250 7.308 3.219 1.00 0.00 H new ATOM 0 HA LEU A 32 -8.967 10.068 2.947 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.742 7.839 4.871 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -10.478 9.430 4.883 1.00 0.00 H new ATOM 0 HG LEU A 32 -10.522 7.489 2.557 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -12.962 7.270 3.128 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -11.922 6.739 4.471 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -12.710 8.333 4.532 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -12.217 8.980 1.556 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -11.970 10.137 2.886 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -10.643 9.788 1.753 1.00 0.00 H new ATOM 527 N LYS A 33 -6.956 9.252 5.425 1.00 0.00 N ATOM 528 CA LYS A 33 -6.032 9.844 6.389 1.00 0.00 C ATOM 529 C LYS A 33 -5.166 10.877 5.671 1.00 0.00 C ATOM 530 O LYS A 33 -5.161 12.044 6.057 1.00 0.00 O ATOM 531 CB LYS A 33 -5.182 8.763 7.095 1.00 0.00 C ATOM 532 CG LYS A 33 -4.362 9.379 8.224 1.00 0.00 C ATOM 533 CD LYS A 33 -3.418 8.434 8.981 1.00 0.00 C ATOM 534 CE LYS A 33 -4.139 7.281 9.695 1.00 0.00 C ATOM 535 NZ LYS A 33 -3.383 6.801 10.874 1.00 0.00 N ATOM 0 H LYS A 33 -6.830 8.248 5.298 1.00 0.00 H new ATOM 0 HA LYS A 33 -6.598 10.344 7.175 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -5.832 7.984 7.493 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -4.518 8.286 6.374 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -3.768 10.193 7.809 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.051 9.821 8.944 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -2.694 8.019 8.279 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -2.855 9.009 9.716 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -5.129 7.611 10.009 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -4.284 6.456 8.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -3.904 6.023 11.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -2.447 6.462 10.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -3.266 7.581 11.552 1.00 0.00 H new ATOM 549 N TYR A 34 -4.457 10.467 4.630 1.00 0.00 N ATOM 550 CA TYR A 34 -3.450 11.257 3.941 1.00 0.00 C ATOM 551 C TYR A 34 -4.031 12.059 2.764 1.00 0.00 C ATOM 552 O TYR A 34 -3.265 12.549 1.936 1.00 0.00 O ATOM 553 CB TYR A 34 -2.328 10.305 3.502 1.00 0.00 C ATOM 554 CG TYR A 34 -1.684 9.483 4.617 1.00 0.00 C ATOM 555 CD1 TYR A 34 -1.077 10.107 5.724 1.00 0.00 C ATOM 556 CD2 TYR A 34 -1.654 8.079 4.535 1.00 0.00 C ATOM 557 CE1 TYR A 34 -0.402 9.342 6.694 1.00 0.00 C ATOM 558 CE2 TYR A 34 -0.954 7.306 5.469 1.00 0.00 C ATOM 559 CZ TYR A 34 -0.321 7.934 6.562 1.00 0.00 C ATOM 560 OH TYR A 34 0.354 7.207 7.496 1.00 0.00 O ATOM 0 H TYR A 34 -4.573 9.537 4.227 1.00 0.00 H new ATOM 0 HA TYR A 34 -3.051 12.011 4.619 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -2.729 9.620 2.755 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -1.550 10.891 3.012 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -1.130 11.181 5.830 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -2.183 7.586 3.733 1.00 0.00 H new ATOM 0 HE1 TYR A 34 0.056 9.830 7.542 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -0.899 6.234 5.353 1.00 0.00 H new ATOM 0 HH TYR A 34 0.315 6.256 7.261 1.00 0.00 H new ATOM 570 N HIS A 35 -5.362 12.188 2.644 1.00 0.00 N ATOM 571 CA HIS A 35 -5.959 12.888 1.507 1.00 0.00 C ATOM 572 C HIS A 35 -5.497 14.349 1.544 1.00 0.00 C ATOM 573 O HIS A 35 -5.526 14.934 2.631 1.00 0.00 O ATOM 574 CB HIS A 35 -7.497 12.819 1.609 1.00 0.00 C ATOM 575 CG HIS A 35 -8.227 12.698 0.298 1.00 0.00 C ATOM 576 ND1 HIS A 35 -8.840 13.716 -0.403 1.00 0.00 N ATOM 577 CD2 HIS A 35 -8.506 11.523 -0.344 1.00 0.00 C ATOM 578 CE1 HIS A 35 -9.437 13.165 -1.472 1.00 0.00 C ATOM 579 NE2 HIS A 35 -9.305 11.822 -1.453 1.00 0.00 N ATOM 0 H HIS A 35 -6.035 11.819 3.316 1.00 0.00 H new ATOM 0 HA HIS A 35 -5.649 12.424 0.571 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -7.765 11.967 2.234 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -7.851 13.714 2.121 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -8.170 10.540 -0.048 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -9.952 13.720 -2.242 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -9.707 11.158 -2.115 1.00 0.00 H new ATOM 587 N PRO A 36 -5.231 15.001 0.403 1.00 0.00 N ATOM 588 CA PRO A 36 -4.618 16.325 0.415 1.00 0.00 C ATOM 589 C PRO A 36 -5.602 17.395 0.891 1.00 0.00 C ATOM 590 O PRO A 36 -5.190 18.391 1.480 1.00 0.00 O ATOM 591 CB PRO A 36 -4.139 16.560 -1.021 1.00 0.00 C ATOM 592 CG PRO A 36 -5.064 15.684 -1.864 1.00 0.00 C ATOM 593 CD PRO A 36 -5.331 14.489 -0.953 1.00 0.00 C ATOM 0 HA PRO A 36 -3.787 16.385 1.117 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -4.218 17.610 -1.302 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -3.095 16.274 -1.146 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -5.985 16.205 -2.126 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -4.592 15.381 -2.799 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -6.318 14.066 -1.140 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -4.605 13.694 -1.126 1.00 0.00 H new ATOM 601 N ASP A 37 -6.902 17.154 0.692 1.00 0.00 N ATOM 602 CA ASP A 37 -8.003 18.075 0.977 1.00 0.00 C ATOM 603 C ASP A 37 -7.954 18.639 2.399 1.00 0.00 C ATOM 604 O ASP A 37 -8.163 19.834 2.600 1.00 0.00 O ATOM 605 CB ASP A 37 -9.330 17.342 0.759 1.00 0.00 C ATOM 606 CG ASP A 37 -10.502 18.320 0.805 1.00 0.00 C ATOM 607 OD1 ASP A 37 -11.080 18.527 1.898 1.00 0.00 O ATOM 608 OD2 ASP A 37 -10.904 18.790 -0.276 1.00 0.00 O ATOM 0 H ASP A 37 -7.229 16.267 0.309 1.00 0.00 H new ATOM 0 HA ASP A 37 -7.909 18.923 0.298 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -9.315 16.831 -0.203 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -9.458 16.577 1.525 1.00 0.00 H new ATOM 613 N LYS A 38 -7.667 17.785 3.388 1.00 0.00 N ATOM 614 CA LYS A 38 -7.551 18.145 4.798 1.00 0.00 C ATOM 615 C LYS A 38 -6.257 17.603 5.408 1.00 0.00 C ATOM 616 O LYS A 38 -6.184 17.430 6.632 1.00 0.00 O ATOM 617 CB LYS A 38 -8.785 17.654 5.574 1.00 0.00 C ATOM 618 CG LYS A 38 -10.098 18.250 5.062 1.00 0.00 C ATOM 619 CD LYS A 38 -11.154 18.287 6.169 1.00 0.00 C ATOM 620 CE LYS A 38 -12.372 19.075 5.695 1.00 0.00 C ATOM 621 NZ LYS A 38 -13.039 19.769 6.812 1.00 0.00 N ATOM 0 H LYS A 38 -7.504 16.792 3.219 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.509 19.232 4.872 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -8.838 16.567 5.509 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -8.667 17.905 6.628 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -9.922 19.259 4.689 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.466 17.660 4.223 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -11.448 17.272 6.438 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -10.738 18.747 7.066 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -12.065 19.804 4.945 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -13.078 18.399 5.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -13.862 20.294 6.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -13.354 19.071 7.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -12.372 20.432 7.256 1.00 0.00 H new ATOM 635 N ASN A 39 -5.268 17.241 4.586 1.00 0.00 N ATOM 636 CA ASN A 39 -3.959 16.775 5.045 1.00 0.00 C ATOM 637 C ASN A 39 -2.899 17.036 3.960 1.00 0.00 C ATOM 638 O ASN A 39 -2.273 16.100 3.458 1.00 0.00 O ATOM 639 CB ASN A 39 -4.039 15.290 5.448 1.00 0.00 C ATOM 640 CG ASN A 39 -2.882 14.863 6.332 1.00 0.00 C ATOM 641 OD1 ASN A 39 -1.971 15.628 6.624 1.00 0.00 O ATOM 642 ND2 ASN A 39 -2.942 13.645 6.841 1.00 0.00 N ATOM 0 H ASN A 39 -5.356 17.264 3.570 1.00 0.00 H new ATOM 0 HA ASN A 39 -3.657 17.332 5.932 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -4.978 15.109 5.972 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -4.052 14.673 4.549 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -2.222 13.327 7.489 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -3.709 13.023 6.586 1.00 0.00 H new ATOM 649 N PRO A 40 -2.697 18.301 3.547 1.00 0.00 N ATOM 650 CA PRO A 40 -1.951 18.647 2.338 1.00 0.00 C ATOM 651 C PRO A 40 -0.482 18.243 2.428 1.00 0.00 C ATOM 652 O PRO A 40 0.124 17.883 1.414 1.00 0.00 O ATOM 653 CB PRO A 40 -2.096 20.167 2.186 1.00 0.00 C ATOM 654 CG PRO A 40 -2.371 20.646 3.608 1.00 0.00 C ATOM 655 CD PRO A 40 -3.202 19.504 4.182 1.00 0.00 C ATOM 0 HA PRO A 40 -2.344 18.110 1.475 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -1.190 20.617 1.780 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -2.912 20.426 1.511 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -1.450 20.801 4.170 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -2.915 21.591 3.621 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -3.098 19.449 5.266 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -4.262 19.645 3.970 1.00 0.00 H new ATOM 663 N ASN A 41 0.092 18.298 3.634 1.00 0.00 N ATOM 664 CA ASN A 41 1.491 17.980 3.880 1.00 0.00 C ATOM 665 C ASN A 41 1.782 16.496 3.651 1.00 0.00 C ATOM 666 O ASN A 41 2.923 16.116 3.376 1.00 0.00 O ATOM 667 CB ASN A 41 1.880 18.399 5.308 1.00 0.00 C ATOM 668 CG ASN A 41 3.058 19.358 5.257 1.00 0.00 C ATOM 669 OD1 ASN A 41 4.133 18.999 4.799 1.00 0.00 O ATOM 670 ND2 ASN A 41 2.885 20.594 5.688 1.00 0.00 N ATOM 0 H ASN A 41 -0.415 18.570 4.476 1.00 0.00 H new ATOM 0 HA ASN A 41 2.096 18.540 3.167 1.00 0.00 H new ATOM 0 HB2 ASN A 41 1.032 18.875 5.801 1.00 0.00 H new ATOM 0 HB3 ASN A 41 2.140 17.520 5.897 1.00 0.00 H new ATOM 0 HD21 ASN A 41 3.654 21.263 5.641 1.00 0.00 H new ATOM 0 HD22 ASN A 41 1.983 20.880 6.068 1.00 0.00 H new ATOM 677 N GLU A 42 0.757 15.644 3.721 1.00 0.00 N ATOM 678 CA GLU A 42 0.862 14.209 3.497 1.00 0.00 C ATOM 679 C GLU A 42 0.476 13.843 2.056 1.00 0.00 C ATOM 680 O GLU A 42 0.508 12.666 1.698 1.00 0.00 O ATOM 681 CB GLU A 42 0.060 13.447 4.564 1.00 0.00 C ATOM 682 CG GLU A 42 0.457 13.779 6.019 1.00 0.00 C ATOM 683 CD GLU A 42 1.801 13.224 6.483 1.00 0.00 C ATOM 684 OE1 GLU A 42 2.865 13.589 5.935 1.00 0.00 O ATOM 685 OE2 GLU A 42 1.843 12.377 7.407 1.00 0.00 O ATOM 0 H GLU A 42 -0.192 15.946 3.941 1.00 0.00 H new ATOM 0 HA GLU A 42 1.901 13.900 3.608 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -0.999 13.666 4.430 1.00 0.00 H new ATOM 0 HB3 GLU A 42 0.187 12.377 4.401 1.00 0.00 H new ATOM 0 HG2 GLU A 42 0.474 14.863 6.133 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -0.320 13.401 6.683 1.00 0.00 H new ATOM 692 N GLY A 43 0.184 14.831 1.201 1.00 0.00 N ATOM 693 CA GLY A 43 -0.248 14.620 -0.174 1.00 0.00 C ATOM 694 C GLY A 43 0.786 13.886 -1.035 1.00 0.00 C ATOM 695 O GLY A 43 0.390 13.149 -1.940 1.00 0.00 O ATOM 0 H GLY A 43 0.245 15.817 1.457 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.177 14.050 -0.171 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.468 15.586 -0.629 1.00 0.00 H new ATOM 699 N GLU A 44 2.090 14.026 -0.764 1.00 0.00 N ATOM 700 CA GLU A 44 3.109 13.237 -1.473 1.00 0.00 C ATOM 701 C GLU A 44 3.085 11.792 -0.977 1.00 0.00 C ATOM 702 O GLU A 44 3.228 10.859 -1.761 1.00 0.00 O ATOM 703 CB GLU A 44 4.520 13.840 -1.325 1.00 0.00 C ATOM 704 CG GLU A 44 4.629 15.102 -2.184 1.00 0.00 C ATOM 705 CD GLU A 44 6.050 15.663 -2.323 1.00 0.00 C ATOM 706 OE1 GLU A 44 6.417 16.499 -1.459 1.00 0.00 O ATOM 707 OE2 GLU A 44 6.739 15.337 -3.321 1.00 0.00 O ATOM 0 H GLU A 44 2.463 14.671 -0.067 1.00 0.00 H new ATOM 0 HA GLU A 44 2.866 13.258 -2.535 1.00 0.00 H new ATOM 0 HB2 GLU A 44 4.716 14.080 -0.280 1.00 0.00 H new ATOM 0 HB3 GLU A 44 5.272 13.113 -1.631 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.241 14.882 -3.179 1.00 0.00 H new ATOM 0 HG3 GLU A 44 3.989 15.873 -1.755 1.00 0.00 H new ATOM 714 N LYS A 45 2.801 11.577 0.310 1.00 0.00 N ATOM 715 CA LYS A 45 2.731 10.241 0.891 1.00 0.00 C ATOM 716 C LYS A 45 1.656 9.395 0.213 1.00 0.00 C ATOM 717 O LYS A 45 1.803 8.174 0.176 1.00 0.00 O ATOM 718 CB LYS A 45 2.459 10.351 2.393 1.00 0.00 C ATOM 719 CG LYS A 45 3.072 9.176 3.164 1.00 0.00 C ATOM 720 CD LYS A 45 2.518 9.098 4.590 1.00 0.00 C ATOM 721 CE LYS A 45 2.573 10.412 5.368 1.00 0.00 C ATOM 722 NZ LYS A 45 3.910 11.043 5.433 1.00 0.00 N ATOM 0 H LYS A 45 2.614 12.327 0.976 1.00 0.00 H new ATOM 0 HA LYS A 45 3.688 9.743 0.731 1.00 0.00 H new ATOM 0 HB2 LYS A 45 2.869 11.288 2.770 1.00 0.00 H new ATOM 0 HB3 LYS A 45 1.383 10.380 2.568 1.00 0.00 H new ATOM 0 HG2 LYS A 45 2.863 8.244 2.638 1.00 0.00 H new ATOM 0 HG3 LYS A 45 4.156 9.286 3.198 1.00 0.00 H new ATOM 0 HD2 LYS A 45 1.482 8.761 4.545 1.00 0.00 H new ATOM 0 HD3 LYS A 45 3.076 8.341 5.141 1.00 0.00 H new ATOM 0 HE2 LYS A 45 1.877 11.116 4.913 1.00 0.00 H new ATOM 0 HE3 LYS A 45 2.223 10.230 6.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 3.805 12.062 5.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 4.462 10.609 6.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 4.405 10.902 4.529 1.00 0.00 H new ATOM 736 N PHE A 46 0.615 10.023 -0.348 1.00 0.00 N ATOM 737 CA PHE A 46 -0.427 9.356 -1.121 1.00 0.00 C ATOM 738 C PHE A 46 0.180 8.470 -2.213 1.00 0.00 C ATOM 739 O PHE A 46 -0.240 7.327 -2.382 1.00 0.00 O ATOM 740 CB PHE A 46 -1.389 10.389 -1.724 1.00 0.00 C ATOM 741 CG PHE A 46 -2.857 9.993 -1.739 1.00 0.00 C ATOM 742 CD1 PHE A 46 -3.280 8.699 -2.106 1.00 0.00 C ATOM 743 CD2 PHE A 46 -3.825 10.954 -1.398 1.00 0.00 C ATOM 744 CE1 PHE A 46 -4.646 8.372 -2.109 1.00 0.00 C ATOM 745 CE2 PHE A 46 -5.195 10.640 -1.454 1.00 0.00 C ATOM 746 CZ PHE A 46 -5.608 9.345 -1.798 1.00 0.00 C ATOM 0 H PHE A 46 0.476 11.031 -0.272 1.00 0.00 H new ATOM 0 HA PHE A 46 -0.992 8.711 -0.448 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -1.289 11.320 -1.167 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -1.077 10.595 -2.748 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -2.549 7.955 -2.386 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -3.514 11.942 -1.091 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -4.957 7.367 -2.352 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -5.931 11.399 -1.231 1.00 0.00 H new ATOM 0 HZ PHE A 46 -6.659 9.098 -1.823 1.00 0.00 H new ATOM 756 N LYS A 47 1.189 8.975 -2.924 1.00 0.00 N ATOM 757 CA LYS A 47 1.799 8.297 -4.059 1.00 0.00 C ATOM 758 C LYS A 47 2.512 6.992 -3.653 1.00 0.00 C ATOM 759 O LYS A 47 2.674 6.098 -4.486 1.00 0.00 O ATOM 760 CB LYS A 47 2.669 9.342 -4.783 1.00 0.00 C ATOM 761 CG LYS A 47 3.791 8.756 -5.625 1.00 0.00 C ATOM 762 CD LYS A 47 4.600 9.835 -6.347 1.00 0.00 C ATOM 763 CE LYS A 47 5.760 9.234 -7.148 1.00 0.00 C ATOM 764 NZ LYS A 47 6.666 8.412 -6.315 1.00 0.00 N ATOM 0 H LYS A 47 1.609 9.882 -2.721 1.00 0.00 H new ATOM 0 HA LYS A 47 1.051 7.932 -4.763 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.029 9.947 -5.425 1.00 0.00 H new ATOM 0 HB3 LYS A 47 3.102 10.013 -4.041 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.455 8.174 -4.986 1.00 0.00 H new ATOM 0 HG3 LYS A 47 3.370 8.068 -6.359 1.00 0.00 H new ATOM 0 HD2 LYS A 47 3.946 10.393 -7.017 1.00 0.00 H new ATOM 0 HD3 LYS A 47 4.991 10.545 -5.618 1.00 0.00 H new ATOM 0 HE2 LYS A 47 5.359 8.621 -7.955 1.00 0.00 H new ATOM 0 HE3 LYS A 47 6.330 10.038 -7.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 7.546 8.228 -6.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 6.885 8.921 -5.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 6.204 7.509 -6.087 1.00 0.00 H new ATOM 778 N GLN A 48 2.929 6.830 -2.393 1.00 0.00 N ATOM 779 CA GLN A 48 3.420 5.549 -1.893 1.00 0.00 C ATOM 780 C GLN A 48 2.257 4.580 -1.671 1.00 0.00 C ATOM 781 O GLN A 48 2.442 3.383 -1.899 1.00 0.00 O ATOM 782 CB GLN A 48 4.147 5.770 -0.558 1.00 0.00 C ATOM 783 CG GLN A 48 5.547 6.382 -0.685 1.00 0.00 C ATOM 784 CD GLN A 48 6.625 5.303 -0.766 1.00 0.00 C ATOM 785 OE1 GLN A 48 6.812 4.645 -1.790 1.00 0.00 O ATOM 786 NE2 GLN A 48 7.343 5.066 0.314 1.00 0.00 N ATOM 0 H GLN A 48 2.935 7.578 -1.699 1.00 0.00 H new ATOM 0 HA GLN A 48 4.103 5.124 -2.629 1.00 0.00 H new ATOM 0 HB2 GLN A 48 3.537 6.420 0.069 1.00 0.00 H new ATOM 0 HB3 GLN A 48 4.229 4.814 -0.042 1.00 0.00 H new ATOM 0 HG2 GLN A 48 5.591 7.010 -1.575 1.00 0.00 H new ATOM 0 HG3 GLN A 48 5.742 7.028 0.171 1.00 0.00 H new ATOM 0 HE21 GLN A 48 7.186 5.613 1.161 1.00 0.00 H new ATOM 0 HE22 GLN A 48 8.055 4.336 0.303 1.00 0.00 H new ATOM 795 N ILE A 49 1.087 5.074 -1.240 1.00 0.00 N ATOM 796 CA ILE A 49 -0.090 4.256 -0.947 1.00 0.00 C ATOM 797 C ILE A 49 -0.533 3.602 -2.253 1.00 0.00 C ATOM 798 O ILE A 49 -0.700 2.387 -2.302 1.00 0.00 O ATOM 799 CB ILE A 49 -1.277 5.060 -0.341 1.00 0.00 C ATOM 800 CG1 ILE A 49 -0.872 6.145 0.667 1.00 0.00 C ATOM 801 CG2 ILE A 49 -2.283 4.114 0.338 1.00 0.00 C ATOM 802 CD1 ILE A 49 -2.078 6.928 1.192 1.00 0.00 C ATOM 0 H ILE A 49 0.934 6.070 -1.084 1.00 0.00 H new ATOM 0 HA ILE A 49 0.191 3.522 -0.191 1.00 0.00 H new ATOM 0 HB ILE A 49 -1.725 5.571 -1.193 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.349 5.683 1.504 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -0.172 6.834 0.195 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -3.105 4.696 0.755 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -2.673 3.410 -0.397 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.784 3.566 1.137 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.740 7.684 1.901 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.587 7.414 0.359 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.767 6.245 1.690 1.00 0.00 H new ATOM 814 N SER A 50 -0.745 4.402 -3.300 1.00 0.00 N ATOM 815 CA SER A 50 -1.220 3.923 -4.587 1.00 0.00 C ATOM 816 C SER A 50 -0.216 2.946 -5.182 1.00 0.00 C ATOM 817 O SER A 50 -0.610 1.846 -5.549 1.00 0.00 O ATOM 818 CB SER A 50 -1.499 5.110 -5.509 1.00 0.00 C ATOM 819 OG SER A 50 -0.448 6.052 -5.441 1.00 0.00 O ATOM 0 H SER A 50 -0.588 5.409 -3.272 1.00 0.00 H new ATOM 0 HA SER A 50 -2.158 3.382 -4.461 1.00 0.00 H new ATOM 0 HB2 SER A 50 -1.615 4.761 -6.535 1.00 0.00 H new ATOM 0 HB3 SER A 50 -2.438 5.584 -5.225 1.00 0.00 H new ATOM 0 HG SER A 50 -0.643 6.804 -6.039 1.00 0.00 H new ATOM 825 N GLN A 51 1.073 3.304 -5.225 1.00 0.00 N ATOM 826 CA GLN A 51 2.122 2.429 -5.741 1.00 0.00 C ATOM 827 C GLN A 51 2.144 1.083 -5.009 1.00 0.00 C ATOM 828 O GLN A 51 2.308 0.041 -5.637 1.00 0.00 O ATOM 829 CB GLN A 51 3.475 3.157 -5.649 1.00 0.00 C ATOM 830 CG GLN A 51 4.632 2.354 -6.257 1.00 0.00 C ATOM 831 CD GLN A 51 5.521 3.210 -7.156 1.00 0.00 C ATOM 832 OE1 GLN A 51 6.286 4.041 -6.670 1.00 0.00 O ATOM 833 NE2 GLN A 51 5.431 3.053 -8.464 1.00 0.00 N ATOM 0 H GLN A 51 1.414 4.209 -4.902 1.00 0.00 H new ATOM 0 HA GLN A 51 1.916 2.201 -6.787 1.00 0.00 H new ATOM 0 HB2 GLN A 51 3.400 4.117 -6.159 1.00 0.00 H new ATOM 0 HB3 GLN A 51 3.697 3.368 -4.603 1.00 0.00 H new ATOM 0 HG2 GLN A 51 5.234 1.925 -5.456 1.00 0.00 H new ATOM 0 HG3 GLN A 51 4.230 1.521 -6.834 1.00 0.00 H new ATOM 0 HE21 GLN A 51 4.792 2.359 -8.852 1.00 0.00 H new ATOM 0 HE22 GLN A 51 6.001 3.625 -9.087 1.00 0.00 H new ATOM 842 N ALA A 52 2.002 1.088 -3.680 1.00 0.00 N ATOM 843 CA ALA A 52 1.983 -0.141 -2.902 1.00 0.00 C ATOM 844 C ALA A 52 0.745 -0.965 -3.215 1.00 0.00 C ATOM 845 O ALA A 52 0.836 -2.172 -3.434 1.00 0.00 O ATOM 846 CB ALA A 52 2.046 0.179 -1.403 1.00 0.00 C ATOM 0 H ALA A 52 1.899 1.937 -3.124 1.00 0.00 H new ATOM 0 HA ALA A 52 2.859 -0.730 -3.174 1.00 0.00 H new ATOM 0 HB1 ALA A 52 2.031 -0.749 -0.832 1.00 0.00 H new ATOM 0 HB2 ALA A 52 2.965 0.724 -1.186 1.00 0.00 H new ATOM 0 HB3 ALA A 52 1.187 0.790 -1.125 1.00 0.00 H new ATOM 852 N TYR A 53 -0.413 -0.314 -3.216 1.00 0.00 N ATOM 853 CA TYR A 53 -1.671 -0.976 -3.475 1.00 0.00 C ATOM 854 C TYR A 53 -1.731 -1.495 -4.908 1.00 0.00 C ATOM 855 O TYR A 53 -2.422 -2.471 -5.139 1.00 0.00 O ATOM 856 CB TYR A 53 -2.818 -0.015 -3.158 1.00 0.00 C ATOM 857 CG TYR A 53 -4.184 -0.667 -3.185 1.00 0.00 C ATOM 858 CD1 TYR A 53 -4.558 -1.564 -2.165 1.00 0.00 C ATOM 859 CD2 TYR A 53 -5.061 -0.416 -4.256 1.00 0.00 C ATOM 860 CE1 TYR A 53 -5.797 -2.228 -2.226 1.00 0.00 C ATOM 861 CE2 TYR A 53 -6.300 -1.073 -4.322 1.00 0.00 C ATOM 862 CZ TYR A 53 -6.667 -1.992 -3.313 1.00 0.00 C ATOM 863 OH TYR A 53 -7.835 -2.685 -3.402 1.00 0.00 O ATOM 0 H TYR A 53 -0.498 0.686 -3.037 1.00 0.00 H new ATOM 0 HA TYR A 53 -1.766 -1.848 -2.828 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -2.653 0.421 -2.173 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.802 0.805 -3.876 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -3.892 -1.742 -1.334 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -4.780 0.284 -5.029 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -6.082 -2.916 -1.444 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -6.973 -0.876 -5.144 1.00 0.00 H new ATOM 0 HH TYR A 53 -8.320 -2.406 -4.206 1.00 0.00 H new ATOM 873 N GLU A 54 -1.000 -0.909 -5.857 1.00 0.00 N ATOM 874 CA GLU A 54 -1.086 -1.256 -7.273 1.00 0.00 C ATOM 875 C GLU A 54 -0.566 -2.678 -7.486 1.00 0.00 C ATOM 876 O GLU A 54 -1.260 -3.520 -8.058 1.00 0.00 O ATOM 877 CB GLU A 54 -0.297 -0.224 -8.096 1.00 0.00 C ATOM 878 CG GLU A 54 -0.374 -0.449 -9.613 1.00 0.00 C ATOM 879 CD GLU A 54 -1.749 -0.200 -10.236 1.00 0.00 C ATOM 880 OE1 GLU A 54 -2.686 0.269 -9.551 1.00 0.00 O ATOM 881 OE2 GLU A 54 -1.872 -0.395 -11.470 1.00 0.00 O ATOM 0 H GLU A 54 -0.324 -0.171 -5.660 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.123 -1.232 -7.608 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -0.673 0.773 -7.867 1.00 0.00 H new ATOM 0 HB3 GLU A 54 0.748 -0.250 -7.787 1.00 0.00 H new ATOM 0 HG2 GLU A 54 0.352 0.203 -10.099 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.075 -1.475 -9.828 1.00 0.00 H new ATOM 888 N VAL A 55 0.629 -2.973 -6.966 1.00 0.00 N ATOM 889 CA VAL A 55 1.209 -4.315 -6.991 1.00 0.00 C ATOM 890 C VAL A 55 0.275 -5.315 -6.289 1.00 0.00 C ATOM 891 O VAL A 55 0.238 -6.494 -6.641 1.00 0.00 O ATOM 892 CB VAL A 55 2.617 -4.279 -6.357 1.00 0.00 C ATOM 893 CG1 VAL A 55 3.306 -5.647 -6.442 1.00 0.00 C ATOM 894 CG2 VAL A 55 3.524 -3.258 -7.063 1.00 0.00 C ATOM 0 H VAL A 55 1.224 -2.280 -6.513 1.00 0.00 H new ATOM 0 HA VAL A 55 1.317 -4.654 -8.021 1.00 0.00 H new ATOM 0 HB VAL A 55 2.473 -3.996 -5.314 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.294 -5.585 -5.987 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.708 -6.389 -5.913 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.406 -5.940 -7.487 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.507 -3.258 -6.592 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.625 -3.527 -8.114 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.084 -2.264 -6.984 1.00 0.00 H new ATOM 904 N LEU A 56 -0.513 -4.835 -5.329 1.00 0.00 N ATOM 905 CA LEU A 56 -1.385 -5.614 -4.469 1.00 0.00 C ATOM 906 C LEU A 56 -2.859 -5.491 -4.889 1.00 0.00 C ATOM 907 O LEU A 56 -3.742 -5.873 -4.117 1.00 0.00 O ATOM 908 CB LEU A 56 -1.142 -5.183 -3.010 1.00 0.00 C ATOM 909 CG LEU A 56 0.301 -5.402 -2.510 1.00 0.00 C ATOM 910 CD1 LEU A 56 0.476 -4.831 -1.103 1.00 0.00 C ATOM 911 CD2 LEU A 56 0.673 -6.886 -2.482 1.00 0.00 C ATOM 0 H LEU A 56 -0.559 -3.837 -5.124 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.148 -6.674 -4.565 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.391 -4.127 -2.910 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.825 -5.734 -2.363 1.00 0.00 H new ATOM 0 HG LEU A 56 0.958 -4.885 -3.209 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.500 -4.995 -0.768 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.266 -3.762 -1.116 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.213 -5.328 -0.420 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.697 -6.998 -2.124 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.005 -7.418 -1.815 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.593 -7.300 -3.487 1.00 0.00 H new ATOM 923 N SER A 57 -3.163 -5.006 -6.096 1.00 0.00 N ATOM 924 CA SER A 57 -4.524 -4.841 -6.607 1.00 0.00 C ATOM 925 C SER A 57 -4.734 -5.618 -7.907 1.00 0.00 C ATOM 926 O SER A 57 -5.801 -5.493 -8.511 1.00 0.00 O ATOM 927 CB SER A 57 -4.885 -3.351 -6.724 1.00 0.00 C ATOM 928 OG SER A 57 -6.263 -3.191 -7.025 1.00 0.00 O ATOM 0 H SER A 57 -2.449 -4.710 -6.762 1.00 0.00 H new ATOM 0 HA SER A 57 -5.219 -5.275 -5.888 1.00 0.00 H new ATOM 0 HB2 SER A 57 -4.650 -2.840 -5.790 1.00 0.00 H new ATOM 0 HB3 SER A 57 -4.281 -2.885 -7.503 1.00 0.00 H new ATOM 0 HG SER A 57 -6.553 -3.912 -7.623 1.00 0.00 H new ATOM 934 N ASP A 58 -3.779 -6.458 -8.308 1.00 0.00 N ATOM 935 CA ASP A 58 -3.999 -7.445 -9.350 1.00 0.00 C ATOM 936 C ASP A 58 -3.450 -8.772 -8.880 1.00 0.00 C ATOM 937 O ASP A 58 -2.430 -8.805 -8.190 1.00 0.00 O ATOM 938 CB ASP A 58 -3.274 -7.069 -10.637 1.00 0.00 C ATOM 939 CG ASP A 58 -3.772 -7.878 -11.834 1.00 0.00 C ATOM 940 OD1 ASP A 58 -4.865 -8.498 -11.765 1.00 0.00 O ATOM 941 OD2 ASP A 58 -3.020 -7.947 -12.825 1.00 0.00 O ATOM 0 H ASP A 58 -2.837 -6.469 -7.917 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.069 -7.497 -9.549 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -3.414 -6.006 -10.835 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -2.204 -7.231 -10.510 1.00 0.00 H new ATOM 946 N ALA A 59 -4.089 -9.866 -9.277 1.00 0.00 N ATOM 947 CA ALA A 59 -3.601 -11.185 -8.936 1.00 0.00 C ATOM 948 C ALA A 59 -2.295 -11.497 -9.666 1.00 0.00 C ATOM 949 O ALA A 59 -1.417 -12.083 -9.040 1.00 0.00 O ATOM 950 CB ALA A 59 -4.663 -12.231 -9.234 1.00 0.00 C ATOM 0 H ALA A 59 -4.944 -9.860 -9.834 1.00 0.00 H new ATOM 0 HA ALA A 59 -3.388 -11.208 -7.867 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -4.284 -13.219 -8.973 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -5.557 -12.019 -8.648 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.911 -12.206 -10.295 1.00 0.00 H new ATOM 956 N LYS A 60 -2.121 -11.122 -10.944 1.00 0.00 N ATOM 957 CA LYS A 60 -0.874 -11.389 -11.656 1.00 0.00 C ATOM 958 C LYS A 60 0.250 -10.448 -11.218 1.00 0.00 C ATOM 959 O LYS A 60 1.381 -10.912 -11.100 1.00 0.00 O ATOM 960 CB LYS A 60 -1.105 -11.355 -13.165 1.00 0.00 C ATOM 961 CG LYS A 60 0.071 -12.012 -13.910 1.00 0.00 C ATOM 962 CD LYS A 60 0.502 -11.164 -15.106 1.00 0.00 C ATOM 963 CE LYS A 60 1.772 -11.684 -15.792 1.00 0.00 C ATOM 964 NZ LYS A 60 1.559 -12.962 -16.497 1.00 0.00 N ATOM 0 H LYS A 60 -2.827 -10.636 -11.497 1.00 0.00 H new ATOM 0 HA LYS A 60 -0.543 -12.394 -11.393 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -2.032 -11.875 -13.408 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -1.222 -10.323 -13.497 1.00 0.00 H new ATOM 0 HG2 LYS A 60 0.912 -12.141 -13.229 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -0.219 -13.006 -14.250 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -0.309 -11.135 -15.833 1.00 0.00 H new ATOM 0 HD3 LYS A 60 0.670 -10.139 -14.774 1.00 0.00 H new ATOM 0 HE2 LYS A 60 2.127 -10.937 -16.502 1.00 0.00 H new ATOM 0 HE3 LYS A 60 2.556 -11.812 -15.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 2.449 -13.266 -16.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 1.246 -13.685 -15.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 0.831 -12.837 -17.229 1.00 0.00 H new ATOM 978 N LYS A 61 -0.021 -9.173 -10.897 1.00 0.00 N ATOM 979 CA LYS A 61 1.008 -8.363 -10.231 1.00 0.00 C ATOM 980 C LYS A 61 1.410 -9.058 -8.939 1.00 0.00 C ATOM 981 O LYS A 61 2.602 -9.292 -8.725 1.00 0.00 O ATOM 982 CB LYS A 61 0.582 -6.916 -9.927 1.00 0.00 C ATOM 983 CG LYS A 61 0.442 -6.037 -11.180 1.00 0.00 C ATOM 984 CD LYS A 61 1.151 -4.673 -11.060 1.00 0.00 C ATOM 985 CE LYS A 61 2.682 -4.814 -10.976 1.00 0.00 C ATOM 986 NZ LYS A 61 3.382 -3.515 -11.079 1.00 0.00 N ATOM 0 H LYS A 61 -0.905 -8.697 -11.078 1.00 0.00 H new ATOM 0 HA LYS A 61 1.843 -8.284 -10.927 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.370 -6.931 -9.396 1.00 0.00 H new ATOM 0 HB3 LYS A 61 1.314 -6.464 -9.257 1.00 0.00 H new ATOM 0 HG2 LYS A 61 0.848 -6.574 -12.037 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -0.616 -5.870 -11.380 1.00 0.00 H new ATOM 0 HD2 LYS A 61 0.892 -4.055 -11.920 1.00 0.00 H new ATOM 0 HD3 LYS A 61 0.787 -4.154 -10.173 1.00 0.00 H new ATOM 0 HE2 LYS A 61 2.947 -5.291 -10.033 1.00 0.00 H new ATOM 0 HE3 LYS A 61 3.026 -5.472 -11.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 4.409 -3.668 -11.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 3.153 -3.069 -11.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 3.077 -2.894 -10.303 1.00 0.00 H new ATOM 1000 N ARG A 62 0.429 -9.425 -8.105 1.00 0.00 N ATOM 1001 CA ARG A 62 0.773 -10.102 -6.858 1.00 0.00 C ATOM 1002 C ARG A 62 1.505 -11.428 -7.103 1.00 0.00 C ATOM 1003 O ARG A 62 2.368 -11.767 -6.300 1.00 0.00 O ATOM 1004 CB ARG A 62 -0.419 -10.257 -5.902 1.00 0.00 C ATOM 1005 CG ARG A 62 0.131 -10.391 -4.469 1.00 0.00 C ATOM 1006 CD ARG A 62 -0.949 -10.593 -3.407 1.00 0.00 C ATOM 1007 NE ARG A 62 -0.829 -11.913 -2.762 1.00 0.00 N ATOM 1008 CZ ARG A 62 -1.775 -12.850 -2.661 1.00 0.00 C ATOM 1009 NH1 ARG A 62 -2.973 -12.677 -3.206 1.00 0.00 N ATOM 1010 NH2 ARG A 62 -1.504 -13.970 -2.004 1.00 0.00 N ATOM 0 H ARG A 62 -0.567 -9.272 -8.263 1.00 0.00 H new ATOM 0 HA ARG A 62 1.474 -9.444 -6.345 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -1.081 -9.394 -5.976 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -1.008 -11.135 -6.167 1.00 0.00 H new ATOM 0 HG2 ARG A 62 0.823 -11.232 -4.433 1.00 0.00 H new ATOM 0 HG3 ARG A 62 0.704 -9.496 -4.225 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -0.871 -9.810 -2.653 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -1.934 -10.498 -3.865 1.00 0.00 H new ATOM 0 HE ARG A 62 0.076 -12.135 -2.347 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -3.184 -11.817 -3.712 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -3.683 -13.404 -3.118 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -0.584 -14.106 -1.585 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -2.216 -14.696 -1.918 1.00 0.00 H new ATOM 1024 N GLU A 63 1.224 -12.149 -8.194 1.00 0.00 N ATOM 1025 CA GLU A 63 1.803 -13.462 -8.491 1.00 0.00 C ATOM 1026 C GLU A 63 3.328 -13.392 -8.432 1.00 0.00 C ATOM 1027 O GLU A 63 3.954 -14.246 -7.801 1.00 0.00 O ATOM 1028 CB GLU A 63 1.319 -13.995 -9.858 1.00 0.00 C ATOM 1029 CG GLU A 63 1.771 -15.437 -10.144 1.00 0.00 C ATOM 1030 CD GLU A 63 1.449 -15.887 -11.578 1.00 0.00 C ATOM 1031 OE1 GLU A 63 0.321 -16.351 -11.866 1.00 0.00 O ATOM 1032 OE2 GLU A 63 2.350 -15.839 -12.449 1.00 0.00 O ATOM 0 H GLU A 63 0.573 -11.828 -8.911 1.00 0.00 H new ATOM 0 HA GLU A 63 1.461 -14.166 -7.732 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.231 -13.949 -9.893 1.00 0.00 H new ATOM 0 HB3 GLU A 63 1.691 -13.342 -10.647 1.00 0.00 H new ATOM 0 HG2 GLU A 63 2.845 -15.517 -9.975 1.00 0.00 H new ATOM 0 HG3 GLU A 63 1.286 -16.112 -9.438 1.00 0.00 H new ATOM 1039 N LEU A 64 3.913 -12.370 -9.066 1.00 0.00 N ATOM 1040 CA LEU A 64 5.359 -12.176 -9.096 1.00 0.00 C ATOM 1041 C LEU A 64 5.835 -11.581 -7.786 1.00 0.00 C ATOM 1042 O LEU A 64 6.890 -11.967 -7.299 1.00 0.00 O ATOM 1043 CB LEU A 64 5.781 -11.242 -10.248 1.00 0.00 C ATOM 1044 CG LEU A 64 5.927 -11.929 -11.615 1.00 0.00 C ATOM 1045 CD1 LEU A 64 7.101 -12.921 -11.628 1.00 0.00 C ATOM 1046 CD2 LEU A 64 4.644 -12.644 -12.038 1.00 0.00 C ATOM 0 H LEU A 64 3.392 -11.655 -9.573 1.00 0.00 H new ATOM 0 HA LEU A 64 5.815 -13.154 -9.252 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.046 -10.442 -10.336 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.731 -10.775 -9.989 1.00 0.00 H new ATOM 0 HG LEU A 64 6.130 -11.136 -12.334 1.00 0.00 H new ATOM 0 HD11 LEU A 64 7.173 -13.387 -12.611 1.00 0.00 H new ATOM 0 HD12 LEU A 64 8.028 -12.391 -11.409 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.936 -13.690 -10.873 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.793 -13.115 -13.010 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.392 -13.406 -11.300 1.00 0.00 H new ATOM 0 HD23 LEU A 64 3.831 -11.922 -12.106 1.00 0.00 H new ATOM 1058 N TYR A 65 5.099 -10.629 -7.220 1.00 0.00 N ATOM 1059 CA TYR A 65 5.448 -9.978 -5.967 1.00 0.00 C ATOM 1060 C TYR A 65 5.642 -10.972 -4.822 1.00 0.00 C ATOM 1061 O TYR A 65 6.580 -10.855 -4.035 1.00 0.00 O ATOM 1062 CB TYR A 65 4.385 -8.936 -5.657 1.00 0.00 C ATOM 1063 CG TYR A 65 4.440 -8.436 -4.240 1.00 0.00 C ATOM 1064 CD1 TYR A 65 5.387 -7.468 -3.873 1.00 0.00 C ATOM 1065 CD2 TYR A 65 3.597 -9.016 -3.273 1.00 0.00 C ATOM 1066 CE1 TYR A 65 5.477 -7.061 -2.534 1.00 0.00 C ATOM 1067 CE2 TYR A 65 3.686 -8.609 -1.934 1.00 0.00 C ATOM 1068 CZ TYR A 65 4.622 -7.622 -1.560 1.00 0.00 C ATOM 1069 OH TYR A 65 4.684 -7.201 -0.271 1.00 0.00 O ATOM 0 H TYR A 65 4.230 -10.285 -7.628 1.00 0.00 H new ATOM 0 HA TYR A 65 6.415 -9.487 -6.076 1.00 0.00 H new ATOM 0 HB2 TYR A 65 4.503 -8.093 -6.338 1.00 0.00 H new ATOM 0 HB3 TYR A 65 3.400 -9.363 -5.847 1.00 0.00 H new ATOM 0 HD1 TYR A 65 6.042 -7.039 -4.617 1.00 0.00 H new ATOM 0 HD2 TYR A 65 2.883 -9.773 -3.562 1.00 0.00 H new ATOM 0 HE1 TYR A 65 6.203 -6.315 -2.246 1.00 0.00 H new ATOM 0 HE2 TYR A 65 3.039 -9.050 -1.190 1.00 0.00 H new ATOM 0 HH TYR A 65 3.893 -7.516 0.214 1.00 0.00 H new ATOM 1079 N ASP A 66 4.785 -11.984 -4.775 1.00 0.00 N ATOM 1080 CA ASP A 66 4.776 -13.065 -3.802 1.00 0.00 C ATOM 1081 C ASP A 66 6.096 -13.826 -3.722 1.00 0.00 C ATOM 1082 O ASP A 66 6.412 -14.413 -2.685 1.00 0.00 O ATOM 1083 CB ASP A 66 3.718 -14.038 -4.288 1.00 0.00 C ATOM 1084 CG ASP A 66 3.482 -15.224 -3.363 1.00 0.00 C ATOM 1085 OD1 ASP A 66 3.088 -14.980 -2.200 1.00 0.00 O ATOM 1086 OD2 ASP A 66 3.621 -16.369 -3.857 1.00 0.00 O ATOM 0 H ASP A 66 4.033 -12.076 -5.457 1.00 0.00 H new ATOM 0 HA ASP A 66 4.592 -12.646 -2.813 1.00 0.00 H new ATOM 0 HB2 ASP A 66 2.779 -13.500 -4.416 1.00 0.00 H new ATOM 0 HB3 ASP A 66 4.008 -14.411 -5.270 1.00 0.00 H new ATOM 1091 N LYS A 67 6.840 -13.859 -4.827 1.00 0.00 N ATOM 1092 CA LYS A 67 7.989 -14.742 -5.039 1.00 0.00 C ATOM 1093 C LYS A 67 9.101 -14.108 -5.890 1.00 0.00 C ATOM 1094 O LYS A 67 9.862 -14.837 -6.527 1.00 0.00 O ATOM 1095 CB LYS A 67 7.482 -16.065 -5.647 1.00 0.00 C ATOM 1096 CG LYS A 67 6.592 -15.854 -6.887 1.00 0.00 C ATOM 1097 CD LYS A 67 6.818 -16.887 -7.989 1.00 0.00 C ATOM 1098 CE LYS A 67 8.150 -16.620 -8.701 1.00 0.00 C ATOM 1099 NZ LYS A 67 8.326 -17.477 -9.888 1.00 0.00 N ATOM 0 H LYS A 67 6.654 -13.253 -5.626 1.00 0.00 H new ATOM 0 HA LYS A 67 8.458 -14.931 -4.073 1.00 0.00 H new ATOM 0 HB2 LYS A 67 8.336 -16.684 -5.921 1.00 0.00 H new ATOM 0 HB3 LYS A 67 6.920 -16.614 -4.892 1.00 0.00 H new ATOM 0 HG2 LYS A 67 5.546 -15.885 -6.582 1.00 0.00 H new ATOM 0 HG3 LYS A 67 6.777 -14.859 -7.291 1.00 0.00 H new ATOM 0 HD2 LYS A 67 6.820 -17.890 -7.562 1.00 0.00 H new ATOM 0 HD3 LYS A 67 5.999 -16.848 -8.707 1.00 0.00 H new ATOM 0 HE2 LYS A 67 8.197 -15.573 -9.000 1.00 0.00 H new ATOM 0 HE3 LYS A 67 8.972 -16.790 -8.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 9.239 -17.263 -10.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 8.307 -18.476 -9.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 7.556 -17.297 -10.564 1.00 0.00 H new