USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 424 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 14 CYS SG : rot -76:sc= -5.76! USER MOD Single : A 22 ASN : amide:sc= 0.0668 K(o=0.067,f=-3.3!) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 ASN : amide:sc= -0.816 K(o=-0.82,f=-1.6) USER MOD Single : A 36 SER OG : rot 42:sc= 0.705 USER MOD Single : A 38 LYS NZ :NH3+ 128:sc= -1.77! (180deg=-3.22!) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 143:sc= -0.181 (180deg=-0.441) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 HIS : no HD1:sc= -2.16 K(o=-2.2,f=-0.53) USER MOD Single : A 50 TYR OH : rot 117:sc= 1.22 USER MOD Single : A 62 THR OG1 : rot -158:sc= -0.94 USER MOD Single : A 63 HIS : no HD1:sc= -1.2 K(o=-1.2,f=-0.15) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 55 N GLY A 7 10.598 -5.355 -0.866 1.00 0.00 N ATOM 56 CA GLY A 7 9.264 -5.754 -1.280 1.00 0.00 C ATOM 57 C GLY A 7 9.238 -7.225 -1.700 1.00 0.00 C ATOM 58 O GLY A 7 8.674 -7.569 -2.738 1.00 0.00 O ATOM 0 HA2 GLY A 7 8.562 -5.593 -0.462 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.935 -5.129 -2.110 1.00 0.00 H new ATOM 62 N GLY A 8 9.856 -8.056 -0.872 1.00 0.00 N ATOM 63 CA GLY A 8 9.910 -9.481 -1.145 1.00 0.00 C ATOM 64 C GLY A 8 8.596 -9.974 -1.755 1.00 0.00 C ATOM 65 O GLY A 8 8.516 -10.205 -2.960 1.00 0.00 O ATOM 0 H GLY A 8 10.323 -7.768 -0.012 1.00 0.00 H new ATOM 0 HA2 GLY A 8 10.733 -9.693 -1.827 1.00 0.00 H new ATOM 0 HA3 GLY A 8 10.113 -10.024 -0.222 1.00 0.00 H new ATOM 69 N GLU A 9 7.599 -10.120 -0.895 1.00 0.00 N ATOM 70 CA GLU A 9 6.294 -10.581 -1.334 1.00 0.00 C ATOM 71 C GLU A 9 5.189 -9.758 -0.668 1.00 0.00 C ATOM 72 O GLU A 9 5.193 -9.575 0.548 1.00 0.00 O ATOM 73 CB GLU A 9 6.114 -12.073 -1.047 1.00 0.00 C ATOM 74 CG GLU A 9 5.713 -12.307 0.410 1.00 0.00 C ATOM 75 CD GLU A 9 6.210 -13.667 0.903 1.00 0.00 C ATOM 76 OE1 GLU A 9 7.430 -13.906 0.776 1.00 0.00 O ATOM 77 OE2 GLU A 9 5.359 -14.438 1.398 1.00 0.00 O ATOM 0 H GLU A 9 7.669 -9.927 0.104 1.00 0.00 H new ATOM 0 HA GLU A 9 6.225 -10.441 -2.413 1.00 0.00 H new ATOM 0 HB2 GLU A 9 5.351 -12.485 -1.708 1.00 0.00 H new ATOM 0 HB3 GLU A 9 7.042 -12.603 -1.262 1.00 0.00 H new ATOM 0 HG2 GLU A 9 6.126 -11.516 1.036 1.00 0.00 H new ATOM 0 HG3 GLU A 9 4.628 -12.256 0.505 1.00 0.00 H new ATOM 82 N ILE A 10 4.268 -9.285 -1.495 1.00 0.00 N ATOM 83 CA ILE A 10 3.159 -8.486 -1.002 1.00 0.00 C ATOM 84 C ILE A 10 2.211 -9.378 -0.198 1.00 0.00 C ATOM 85 O ILE A 10 1.476 -10.182 -0.769 1.00 0.00 O ATOM 86 CB ILE A 10 2.477 -7.746 -2.155 1.00 0.00 C ATOM 87 CG1 ILE A 10 3.316 -6.550 -2.610 1.00 0.00 C ATOM 88 CG2 ILE A 10 1.052 -7.336 -1.777 1.00 0.00 C ATOM 89 CD1 ILE A 10 3.307 -5.441 -1.556 1.00 0.00 C ATOM 0 H ILE A 10 4.267 -9.440 -2.503 1.00 0.00 H new ATOM 0 HA ILE A 10 3.519 -7.711 -0.325 1.00 0.00 H new ATOM 0 HB ILE A 10 2.401 -8.428 -3.002 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.341 -6.870 -2.797 1.00 0.00 H new ATOM 0 HG13 ILE A 10 2.926 -6.165 -3.552 1.00 0.00 H new ATOM 0 HG21 ILE A 10 0.590 -6.812 -2.614 1.00 0.00 H new ATOM 0 HG22 ILE A 10 0.468 -8.225 -1.539 1.00 0.00 H new ATOM 0 HG23 ILE A 10 1.081 -6.678 -0.908 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.911 -4.603 -1.904 1.00 0.00 H new ATOM 0 HD12 ILE A 10 2.283 -5.106 -1.389 1.00 0.00 H new ATOM 0 HD13 ILE A 10 3.721 -5.823 -0.623 1.00 0.00 H new ATOM 100 N ILE A 11 2.260 -9.206 1.115 1.00 0.00 N ATOM 101 CA ILE A 11 1.414 -9.985 2.003 1.00 0.00 C ATOM 102 C ILE A 11 0.256 -9.115 2.493 1.00 0.00 C ATOM 103 O ILE A 11 0.273 -7.897 2.318 1.00 0.00 O ATOM 104 CB ILE A 11 2.245 -10.596 3.134 1.00 0.00 C ATOM 105 CG1 ILE A 11 2.665 -9.527 4.145 1.00 0.00 C ATOM 106 CG2 ILE A 11 3.447 -11.364 2.579 1.00 0.00 C ATOM 107 CD1 ILE A 11 1.541 -9.245 5.144 1.00 0.00 C ATOM 0 H ILE A 11 2.872 -8.539 1.585 1.00 0.00 H new ATOM 0 HA ILE A 11 0.975 -10.827 1.468 1.00 0.00 H new ATOM 0 HB ILE A 11 1.622 -11.315 3.666 1.00 0.00 H new ATOM 0 HG12 ILE A 11 3.556 -9.856 4.679 1.00 0.00 H new ATOM 0 HG13 ILE A 11 2.929 -8.609 3.620 1.00 0.00 H new ATOM 0 HG21 ILE A 11 4.020 -11.788 3.404 1.00 0.00 H new ATOM 0 HG22 ILE A 11 3.098 -12.167 1.930 1.00 0.00 H new ATOM 0 HG23 ILE A 11 4.080 -10.685 2.008 1.00 0.00 H new ATOM 0 HD11 ILE A 11 1.866 -8.482 5.851 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.659 -8.893 4.609 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.296 -10.160 5.684 1.00 0.00 H new ATOM 118 N GLU A 12 -0.723 -9.772 3.096 1.00 0.00 N ATOM 119 CA GLU A 12 -1.888 -9.073 3.612 1.00 0.00 C ATOM 120 C GLU A 12 -1.517 -8.279 4.866 1.00 0.00 C ATOM 121 O GLU A 12 -1.011 -8.843 5.835 1.00 0.00 O ATOM 122 CB GLU A 12 -3.031 -10.048 3.898 1.00 0.00 C ATOM 123 CG GLU A 12 -3.443 -10.798 2.629 1.00 0.00 C ATOM 124 CD GLU A 12 -4.449 -11.905 2.950 1.00 0.00 C ATOM 125 OE1 GLU A 12 -4.308 -12.504 4.037 1.00 0.00 O ATOM 126 OE2 GLU A 12 -5.339 -12.127 2.098 1.00 0.00 O ATOM 0 H GLU A 12 -0.734 -10.782 3.239 1.00 0.00 H new ATOM 0 HA GLU A 12 -2.234 -8.373 2.851 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -2.723 -10.761 4.662 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -3.887 -9.504 4.297 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -3.880 -10.100 1.915 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -2.561 -11.229 2.154 1.00 0.00 H new ATOM 131 N GLY A 13 -1.786 -6.983 4.808 1.00 0.00 N ATOM 132 CA GLY A 13 -1.487 -6.106 5.927 1.00 0.00 C ATOM 133 C GLY A 13 -0.533 -4.985 5.507 1.00 0.00 C ATOM 134 O GLY A 13 -0.558 -3.896 6.077 1.00 0.00 O ATOM 0 H GLY A 13 -2.208 -6.519 4.003 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -2.411 -5.676 6.313 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -1.041 -6.683 6.737 1.00 0.00 H new ATOM 138 N CYS A 14 0.287 -5.291 4.511 1.00 0.00 N ATOM 139 CA CYS A 14 1.246 -4.324 4.008 1.00 0.00 C ATOM 140 C CYS A 14 0.496 -3.034 3.670 1.00 0.00 C ATOM 141 O CYS A 14 -0.589 -3.077 3.092 1.00 0.00 O ATOM 142 CB CYS A 14 2.019 -4.868 2.804 1.00 0.00 C ATOM 143 SG CYS A 14 3.368 -5.966 3.371 1.00 0.00 S ATOM 0 H CYS A 14 0.306 -6.195 4.040 1.00 0.00 H new ATOM 0 HA CYS A 14 1.994 -4.117 4.774 1.00 0.00 H new ATOM 0 HB2 CYS A 14 1.345 -5.416 2.146 1.00 0.00 H new ATOM 0 HB3 CYS A 14 2.431 -4.043 2.223 1.00 0.00 H new ATOM 0 HG CYS A 14 4.343 -5.247 3.843 1.00 0.00 H new ATOM 148 N ARG A 15 1.104 -1.918 4.043 1.00 0.00 N ATOM 149 CA ARG A 15 0.507 -0.618 3.787 1.00 0.00 C ATOM 150 C ARG A 15 1.364 0.173 2.796 1.00 0.00 C ATOM 151 O ARG A 15 2.538 0.437 3.057 1.00 0.00 O ATOM 152 CB ARG A 15 0.362 0.186 5.081 1.00 0.00 C ATOM 153 CG ARG A 15 -1.004 -0.055 5.724 1.00 0.00 C ATOM 154 CD ARG A 15 -1.309 1.012 6.779 1.00 0.00 C ATOM 155 NE ARG A 15 -1.452 0.381 8.109 1.00 0.00 N ATOM 156 CZ ARG A 15 -0.423 0.090 8.917 1.00 0.00 C ATOM 157 NH1 ARG A 15 0.830 0.372 8.535 1.00 0.00 N ATOM 158 NH2 ARG A 15 -0.647 -0.482 10.109 1.00 0.00 N ATOM 0 H ARG A 15 2.005 -1.887 4.521 1.00 0.00 H new ATOM 0 HA ARG A 15 -0.484 -0.785 3.364 1.00 0.00 H new ATOM 0 HB2 ARG A 15 1.151 -0.095 5.778 1.00 0.00 H new ATOM 0 HB3 ARG A 15 0.486 1.248 4.870 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -1.778 -0.045 4.957 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -1.024 -1.043 6.184 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -0.509 1.752 6.802 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -2.225 1.542 6.518 1.00 0.00 H new ATOM 0 HE ARG A 15 -2.392 0.153 8.431 1.00 0.00 H new ATOM 0 HH11 ARG A 15 1.001 0.808 7.629 1.00 0.00 H new ATOM 0 HH12 ARG A 15 1.613 0.150 9.150 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -1.601 -0.696 10.401 1.00 0.00 H new ATOM 0 HH22 ARG A 15 0.136 -0.703 10.724 1.00 0.00 H new ATOM 169 N LEU A 16 0.745 0.529 1.680 1.00 0.00 N ATOM 170 CA LEU A 16 1.436 1.285 0.650 1.00 0.00 C ATOM 171 C LEU A 16 0.435 2.192 -0.069 1.00 0.00 C ATOM 172 O LEU A 16 -0.763 1.913 -0.081 1.00 0.00 O ATOM 173 CB LEU A 16 2.195 0.343 -0.287 1.00 0.00 C ATOM 174 CG LEU A 16 1.669 -1.091 -0.367 1.00 0.00 C ATOM 175 CD1 LEU A 16 0.140 -1.117 -0.349 1.00 0.00 C ATOM 176 CD2 LEU A 16 2.241 -1.819 -1.586 1.00 0.00 C ATOM 0 H LEU A 16 -0.228 0.308 1.467 1.00 0.00 H new ATOM 0 HA LEU A 16 2.192 1.933 1.095 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.181 0.771 -1.290 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.237 0.309 0.030 1.00 0.00 H new ATOM 0 HG LEU A 16 2.010 -1.629 0.518 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.207 -2.149 -0.407 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.221 -0.664 0.575 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.243 -0.557 -1.202 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.851 -2.836 -1.619 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.952 -1.290 -2.494 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.328 -1.850 -1.514 1.00 0.00 H new ATOM 187 N PRO A 17 0.978 3.287 -0.666 1.00 0.00 N ATOM 188 CA PRO A 17 0.146 4.237 -1.385 1.00 0.00 C ATOM 189 C PRO A 17 -0.288 3.671 -2.739 1.00 0.00 C ATOM 190 O PRO A 17 0.522 3.560 -3.658 1.00 0.00 O ATOM 191 CB PRO A 17 0.998 5.489 -1.511 1.00 0.00 C ATOM 192 CG PRO A 17 2.431 5.044 -1.272 1.00 0.00 C ATOM 193 CD PRO A 17 2.392 3.648 -0.673 1.00 0.00 C ATOM 0 HA PRO A 17 -0.787 4.456 -0.866 1.00 0.00 H new ATOM 0 HB2 PRO A 17 0.888 5.938 -2.498 1.00 0.00 H new ATOM 0 HB3 PRO A 17 0.696 6.242 -0.783 1.00 0.00 H new ATOM 0 HG2 PRO A 17 2.991 5.043 -2.207 1.00 0.00 H new ATOM 0 HG3 PRO A 17 2.938 5.735 -0.598 1.00 0.00 H new ATOM 0 HD2 PRO A 17 2.977 2.946 -1.267 1.00 0.00 H new ATOM 0 HD3 PRO A 17 2.808 3.638 0.334 1.00 0.00 H new ATOM 198 N VAL A 18 -1.566 3.326 -2.818 1.00 0.00 N ATOM 199 CA VAL A 18 -2.117 2.775 -4.045 1.00 0.00 C ATOM 200 C VAL A 18 -2.637 3.914 -4.923 1.00 0.00 C ATOM 201 O VAL A 18 -3.612 4.577 -4.573 1.00 0.00 O ATOM 202 CB VAL A 18 -3.191 1.736 -3.715 1.00 0.00 C ATOM 203 CG1 VAL A 18 -3.978 1.345 -4.966 1.00 0.00 C ATOM 204 CG2 VAL A 18 -2.575 0.505 -3.045 1.00 0.00 C ATOM 0 H VAL A 18 -2.235 3.417 -2.053 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.344 2.256 -4.612 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.889 2.187 -3.009 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.735 0.606 -4.704 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.463 2.228 -5.382 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.299 0.922 -5.706 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.359 -0.218 -2.821 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.845 0.052 -3.716 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.081 0.803 -2.120 1.00 0.00 H new ATOM 214 N LEU A 19 -1.962 4.107 -6.048 1.00 0.00 N ATOM 215 CA LEU A 19 -2.344 5.155 -6.978 1.00 0.00 C ATOM 216 C LEU A 19 -3.870 5.218 -7.070 1.00 0.00 C ATOM 217 O LEU A 19 -4.548 4.205 -6.904 1.00 0.00 O ATOM 218 CB LEU A 19 -1.654 4.949 -8.329 1.00 0.00 C ATOM 219 CG LEU A 19 -2.181 5.798 -9.487 1.00 0.00 C ATOM 220 CD1 LEU A 19 -1.548 7.190 -9.480 1.00 0.00 C ATOM 221 CD2 LEU A 19 -1.980 5.084 -10.825 1.00 0.00 C ATOM 0 H LEU A 19 -1.154 3.555 -6.335 1.00 0.00 H new ATOM 0 HA LEU A 19 -2.006 6.127 -6.618 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.591 5.156 -8.207 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.744 3.898 -8.604 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.254 5.932 -9.351 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.940 7.772 -10.314 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.785 7.693 -8.543 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.466 7.098 -9.579 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.363 5.709 -11.632 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.917 4.899 -10.983 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.516 4.135 -10.815 1.00 0.00 H new ATOM 232 N ARG A 20 -4.365 6.418 -7.337 1.00 0.00 N ATOM 233 CA ARG A 20 -5.799 6.626 -7.453 1.00 0.00 C ATOM 234 C ARG A 20 -6.087 7.973 -8.120 1.00 0.00 C ATOM 235 O ARG A 20 -5.903 9.024 -7.509 1.00 0.00 O ATOM 236 CB ARG A 20 -6.474 6.590 -6.081 1.00 0.00 C ATOM 237 CG ARG A 20 -7.997 6.563 -6.219 1.00 0.00 C ATOM 238 CD ARG A 20 -8.670 7.206 -5.004 1.00 0.00 C ATOM 239 NE ARG A 20 -9.621 8.251 -5.447 1.00 0.00 N ATOM 240 CZ ARG A 20 -10.705 8.011 -6.196 1.00 0.00 C ATOM 241 NH1 ARG A 20 -10.984 6.761 -6.592 1.00 0.00 N ATOM 242 NH2 ARG A 20 -11.512 9.021 -6.550 1.00 0.00 N ATOM 0 H ARG A 20 -3.799 7.255 -7.476 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.203 5.819 -8.065 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -6.140 5.711 -5.530 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -6.173 7.463 -5.501 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -8.293 7.092 -7.125 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -8.338 5.533 -6.325 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -9.195 6.447 -4.424 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -7.916 7.643 -4.349 1.00 0.00 H new ATOM 0 HE ARG A 20 -9.439 9.214 -5.164 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -10.371 5.992 -6.323 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -11.810 6.579 -7.162 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -11.300 9.972 -6.249 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -12.338 8.838 -7.120 1.00 0.00 H new ATOM 253 N ARG A 21 -6.533 7.896 -9.366 1.00 0.00 N ATOM 254 CA ARG A 21 -6.848 9.096 -10.122 1.00 0.00 C ATOM 255 C ARG A 21 -8.311 9.490 -9.908 1.00 0.00 C ATOM 256 O ARG A 21 -9.211 8.885 -10.487 1.00 0.00 O ATOM 257 CB ARG A 21 -6.598 8.886 -11.616 1.00 0.00 C ATOM 258 CG ARG A 21 -5.123 9.107 -11.962 1.00 0.00 C ATOM 259 CD ARG A 21 -4.893 9.011 -13.471 1.00 0.00 C ATOM 260 NE ARG A 21 -3.454 8.807 -13.752 1.00 0.00 N ATOM 261 CZ ARG A 21 -2.552 9.795 -13.807 1.00 0.00 C ATOM 262 NH1 ARG A 21 -2.933 11.063 -13.601 1.00 0.00 N ATOM 263 NH2 ARG A 21 -1.268 9.516 -14.067 1.00 0.00 N ATOM 0 H ARG A 21 -6.683 7.022 -9.870 1.00 0.00 H new ATOM 0 HA ARG A 21 -6.197 9.894 -9.764 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -6.894 7.876 -11.899 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -7.217 9.573 -12.192 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -4.805 10.086 -11.604 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -4.511 8.365 -11.449 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -5.473 8.186 -13.884 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -5.242 9.921 -13.959 1.00 0.00 H new ATOM 0 HE ARG A 21 -3.129 7.854 -13.914 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -3.911 11.276 -13.402 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -2.246 11.815 -13.643 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -0.977 8.551 -14.223 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -0.581 10.269 -14.109 1.00 0.00 H new ATOM 274 N ASN A 22 -8.503 10.502 -9.074 1.00 0.00 N ATOM 275 CA ASN A 22 -9.840 10.984 -8.776 1.00 0.00 C ATOM 276 C ASN A 22 -10.531 11.393 -10.077 1.00 0.00 C ATOM 277 O ASN A 22 -9.909 11.403 -11.139 1.00 0.00 O ATOM 278 CB ASN A 22 -9.794 12.209 -7.860 1.00 0.00 C ATOM 279 CG ASN A 22 -9.046 11.894 -6.563 1.00 0.00 C ATOM 280 OD1 ASN A 22 -9.585 11.328 -5.627 1.00 0.00 O ATOM 281 ND2 ASN A 22 -7.778 12.295 -6.560 1.00 0.00 N ATOM 0 H ASN A 22 -7.754 11.001 -8.595 1.00 0.00 H new ATOM 0 HA ASN A 22 -10.384 10.182 -8.277 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -9.304 13.035 -8.375 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -10.809 12.534 -7.630 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -7.194 12.134 -5.739 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -7.389 12.764 -7.378 1.00 0.00 H new ATOM 287 N GLN A 23 -11.810 11.720 -9.954 1.00 0.00 N ATOM 288 CA GLN A 23 -12.593 12.129 -11.108 1.00 0.00 C ATOM 289 C GLN A 23 -11.948 13.340 -11.786 1.00 0.00 C ATOM 290 O GLN A 23 -12.255 13.649 -12.936 1.00 0.00 O ATOM 291 CB GLN A 23 -14.040 12.429 -10.710 1.00 0.00 C ATOM 292 CG GLN A 23 -14.101 13.537 -9.657 1.00 0.00 C ATOM 293 CD GLN A 23 -15.369 14.376 -9.817 1.00 0.00 C ATOM 294 OE1 GLN A 23 -16.371 14.166 -9.153 1.00 0.00 O ATOM 295 NE2 GLN A 23 -15.272 15.337 -10.732 1.00 0.00 N ATOM 0 H GLN A 23 -12.323 11.710 -9.073 1.00 0.00 H new ATOM 0 HA GLN A 23 -12.610 11.305 -11.821 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -14.609 12.728 -11.591 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -14.508 11.525 -10.320 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -14.075 13.098 -8.660 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -13.223 14.177 -9.746 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -14.404 15.459 -11.253 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -16.066 15.952 -10.912 1.00 0.00 H new ATOM 302 N ASP A 24 -11.066 13.992 -11.043 1.00 0.00 N ATOM 303 CA ASP A 24 -10.374 15.163 -11.558 1.00 0.00 C ATOM 304 C ASP A 24 -9.203 14.712 -12.434 1.00 0.00 C ATOM 305 O ASP A 24 -8.667 15.501 -13.212 1.00 0.00 O ATOM 306 CB ASP A 24 -9.812 16.015 -10.418 1.00 0.00 C ATOM 307 CG ASP A 24 -10.837 16.899 -9.706 1.00 0.00 C ATOM 308 OD1 ASP A 24 -11.321 17.847 -10.360 1.00 0.00 O ATOM 309 OD2 ASP A 24 -11.114 16.605 -8.522 1.00 0.00 O ATOM 0 H ASP A 24 -10.814 13.733 -10.089 1.00 0.00 H new ATOM 0 HA ASP A 24 -11.089 15.754 -12.131 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -9.352 15.354 -9.683 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -9.020 16.650 -10.815 1.00 0.00 H new ATOM 313 N ASN A 25 -8.840 13.448 -12.279 1.00 0.00 N ATOM 314 CA ASN A 25 -7.743 12.885 -13.046 1.00 0.00 C ATOM 315 C ASN A 25 -6.416 13.272 -12.391 1.00 0.00 C ATOM 316 O ASN A 25 -5.404 13.426 -13.073 1.00 0.00 O ATOM 317 CB ASN A 25 -7.738 13.425 -14.479 1.00 0.00 C ATOM 318 CG ASN A 25 -7.001 12.471 -15.421 1.00 0.00 C ATOM 319 OD1 ASN A 25 -6.026 11.832 -15.063 1.00 0.00 O ATOM 320 ND2 ASN A 25 -7.521 12.412 -16.644 1.00 0.00 N ATOM 0 H ASN A 25 -9.287 12.797 -11.633 1.00 0.00 H new ATOM 0 HA ASN A 25 -7.869 11.803 -13.068 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -8.763 13.562 -14.823 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -7.260 14.405 -14.501 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -7.101 11.805 -17.348 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -8.339 12.974 -16.878 1.00 0.00 H new ATOM 326 N GLU A 26 -6.463 13.418 -11.074 1.00 0.00 N ATOM 327 CA GLU A 26 -5.278 13.784 -10.319 1.00 0.00 C ATOM 328 C GLU A 26 -4.669 12.547 -9.655 1.00 0.00 C ATOM 329 O GLU A 26 -5.147 12.098 -8.614 1.00 0.00 O ATOM 330 CB GLU A 26 -5.599 14.861 -9.281 1.00 0.00 C ATOM 331 CG GLU A 26 -6.241 16.083 -9.941 1.00 0.00 C ATOM 332 CD GLU A 26 -6.278 17.270 -8.976 1.00 0.00 C ATOM 333 OE1 GLU A 26 -7.106 17.215 -8.040 1.00 0.00 O ATOM 334 OE2 GLU A 26 -5.480 18.206 -9.197 1.00 0.00 O ATOM 0 H GLU A 26 -7.304 13.289 -10.511 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.545 14.200 -11.010 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -6.272 14.455 -8.526 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -4.686 15.159 -8.766 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -5.681 16.354 -10.836 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.254 15.838 -10.261 1.00 0.00 H new ATOM 339 N ASP A 27 -3.622 12.033 -10.283 1.00 0.00 N ATOM 340 CA ASP A 27 -2.942 10.856 -9.765 1.00 0.00 C ATOM 341 C ASP A 27 -2.663 11.049 -8.273 1.00 0.00 C ATOM 342 O ASP A 27 -1.802 11.843 -7.897 1.00 0.00 O ATOM 343 CB ASP A 27 -1.604 10.639 -10.472 1.00 0.00 C ATOM 344 CG ASP A 27 -0.507 11.639 -10.102 1.00 0.00 C ATOM 345 OD1 ASP A 27 -0.561 12.767 -10.639 1.00 0.00 O ATOM 346 OD2 ASP A 27 0.363 11.254 -9.292 1.00 0.00 O ATOM 0 H ASP A 27 -3.227 12.409 -11.145 1.00 0.00 H new ATOM 0 HA ASP A 27 -3.585 9.992 -9.935 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -1.249 9.633 -10.245 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -1.768 10.684 -11.549 1.00 0.00 H new ATOM 350 N GLU A 28 -3.407 10.309 -7.465 1.00 0.00 N ATOM 351 CA GLU A 28 -3.250 10.389 -6.022 1.00 0.00 C ATOM 352 C GLU A 28 -2.415 9.212 -5.513 1.00 0.00 C ATOM 353 O GLU A 28 -2.101 8.295 -6.271 1.00 0.00 O ATOM 354 CB GLU A 28 -4.612 10.437 -5.325 1.00 0.00 C ATOM 355 CG GLU A 28 -4.473 10.947 -3.889 1.00 0.00 C ATOM 356 CD GLU A 28 -5.672 11.814 -3.497 1.00 0.00 C ATOM 357 OE1 GLU A 28 -5.621 13.025 -3.807 1.00 0.00 O ATOM 358 OE2 GLU A 28 -6.611 11.247 -2.898 1.00 0.00 O ATOM 0 H GLU A 28 -4.120 9.651 -7.781 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.723 11.313 -5.783 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.287 11.086 -5.882 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.058 9.442 -5.320 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.392 10.102 -3.205 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.554 11.525 -3.792 1.00 0.00 H new ATOM 363 N TRP A 29 -2.080 9.275 -4.234 1.00 0.00 N ATOM 364 CA TRP A 29 -1.287 8.227 -3.614 1.00 0.00 C ATOM 365 C TRP A 29 -1.719 8.109 -2.151 1.00 0.00 C ATOM 366 O TRP A 29 -0.926 8.355 -1.245 1.00 0.00 O ATOM 367 CB TRP A 29 0.209 8.502 -3.776 1.00 0.00 C ATOM 368 CG TRP A 29 0.705 8.420 -5.221 1.00 0.00 C ATOM 369 CD1 TRP A 29 0.871 9.421 -6.095 1.00 0.00 C ATOM 370 CD2 TRP A 29 1.095 7.223 -5.929 1.00 0.00 C ATOM 371 NE1 TRP A 29 1.337 8.961 -7.309 1.00 0.00 N ATOM 372 CE2 TRP A 29 1.479 7.582 -7.205 1.00 0.00 C ATOM 373 CE3 TRP A 29 1.124 5.883 -5.504 1.00 0.00 C ATOM 374 CZ2 TRP A 29 1.918 6.658 -8.161 1.00 0.00 C ATOM 375 CZ3 TRP A 29 1.565 4.973 -6.471 1.00 0.00 C ATOM 376 CH2 TRP A 29 1.954 5.318 -7.761 1.00 0.00 C ATOM 0 H TRP A 29 -2.343 10.036 -3.608 1.00 0.00 H new ATOM 0 HA TRP A 29 -1.461 7.270 -4.106 1.00 0.00 H new ATOM 0 HB2 TRP A 29 0.430 9.494 -3.383 1.00 0.00 H new ATOM 0 HB3 TRP A 29 0.767 7.788 -3.170 1.00 0.00 H new ATOM 0 HD1 TRP A 29 0.666 10.459 -5.877 1.00 0.00 H new ATOM 0 HE1 TRP A 29 1.540 9.528 -8.132 1.00 0.00 H new ATOM 0 HE3 TRP A 29 0.829 5.580 -4.510 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 2.213 6.963 -9.154 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 1.606 3.929 -6.196 1.00 0.00 H new ATOM 0 HH2 TRP A 29 2.282 4.555 -8.451 1.00 0.00 H new ATOM 386 N PRO A 30 -3.009 7.722 -1.962 1.00 0.00 N ATOM 387 CA PRO A 30 -3.556 7.568 -0.625 1.00 0.00 C ATOM 388 C PRO A 30 -3.039 6.288 0.035 1.00 0.00 C ATOM 389 O PRO A 30 -2.674 5.335 -0.652 1.00 0.00 O ATOM 390 CB PRO A 30 -5.063 7.571 -0.814 1.00 0.00 C ATOM 391 CG PRO A 30 -5.300 7.260 -2.283 1.00 0.00 C ATOM 392 CD PRO A 30 -3.978 7.421 -3.013 1.00 0.00 C ATOM 0 HA PRO A 30 -3.251 8.368 0.049 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -5.538 6.826 -0.176 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -5.488 8.538 -0.546 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -5.680 6.245 -2.402 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -6.050 7.932 -2.699 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -3.709 6.512 -3.551 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -4.027 8.224 -3.749 1.00 0.00 H new ATOM 397 N LEU A 31 -3.022 6.309 1.360 1.00 0.00 N ATOM 398 CA LEU A 31 -2.556 5.161 2.120 1.00 0.00 C ATOM 399 C LEU A 31 -3.565 4.020 1.984 1.00 0.00 C ATOM 400 O LEU A 31 -4.755 4.205 2.236 1.00 0.00 O ATOM 401 CB LEU A 31 -2.270 5.560 3.569 1.00 0.00 C ATOM 402 CG LEU A 31 -1.194 4.744 4.290 1.00 0.00 C ATOM 403 CD1 LEU A 31 -1.660 3.305 4.519 1.00 0.00 C ATOM 404 CD2 LEU A 31 0.134 4.803 3.535 1.00 0.00 C ATOM 0 H LEU A 31 -3.323 7.102 1.926 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.609 4.798 1.720 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.974 6.609 3.584 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.198 5.482 4.136 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.027 5.188 5.271 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.878 2.747 5.033 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.564 3.308 5.129 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.871 2.834 3.559 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.882 4.215 4.068 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.001 4.397 2.532 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.468 5.838 3.466 1.00 0.00 H new ATOM 415 N ALA A 32 -3.054 2.865 1.586 1.00 0.00 N ATOM 416 CA ALA A 32 -3.895 1.693 1.413 1.00 0.00 C ATOM 417 C ALA A 32 -3.233 0.489 2.087 1.00 0.00 C ATOM 418 O ALA A 32 -2.008 0.392 2.123 1.00 0.00 O ATOM 419 CB ALA A 32 -4.148 1.461 -0.078 1.00 0.00 C ATOM 0 H ALA A 32 -2.067 2.715 1.378 1.00 0.00 H new ATOM 0 HA ALA A 32 -4.864 1.844 1.888 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.779 0.582 -0.207 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.648 2.332 -0.502 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -3.198 1.304 -0.588 1.00 0.00 H new ATOM 425 N GLU A 33 -4.072 -0.395 2.604 1.00 0.00 N ATOM 426 CA GLU A 33 -3.584 -1.587 3.275 1.00 0.00 C ATOM 427 C GLU A 33 -3.988 -2.840 2.493 1.00 0.00 C ATOM 428 O GLU A 33 -5.137 -2.970 2.073 1.00 0.00 O ATOM 429 CB GLU A 33 -4.092 -1.653 4.716 1.00 0.00 C ATOM 430 CG GLU A 33 -3.396 -2.773 5.492 1.00 0.00 C ATOM 431 CD GLU A 33 -4.307 -3.330 6.588 1.00 0.00 C ATOM 432 OE1 GLU A 33 -4.737 -2.517 7.435 1.00 0.00 O ATOM 433 OE2 GLU A 33 -4.554 -4.554 6.553 1.00 0.00 O ATOM 0 H GLU A 33 -5.088 -0.310 2.572 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.496 -1.539 3.311 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -3.916 -0.698 5.212 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -5.169 -1.819 4.718 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.114 -3.573 4.808 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.476 -2.394 5.937 1.00 0.00 H new ATOM 438 N ILE A 34 -3.021 -3.729 2.322 1.00 0.00 N ATOM 439 CA ILE A 34 -3.261 -4.966 1.598 1.00 0.00 C ATOM 440 C ILE A 34 -4.240 -5.833 2.391 1.00 0.00 C ATOM 441 O ILE A 34 -4.116 -5.963 3.609 1.00 0.00 O ATOM 442 CB ILE A 34 -1.939 -5.667 1.279 1.00 0.00 C ATOM 443 CG1 ILE A 34 -0.987 -4.728 0.535 1.00 0.00 C ATOM 444 CG2 ILE A 34 -2.179 -6.968 0.511 1.00 0.00 C ATOM 445 CD1 ILE A 34 -1.313 -4.687 -0.958 1.00 0.00 C ATOM 0 H ILE A 34 -2.070 -3.618 2.672 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.725 -4.759 0.634 1.00 0.00 H new ATOM 0 HB ILE A 34 -1.458 -5.934 2.220 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.059 -3.724 0.954 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.042 -5.060 0.677 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.223 -7.446 0.297 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.793 -7.638 1.113 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.692 -6.748 -0.425 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.622 -4.012 -1.463 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.216 -5.688 -1.379 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.334 -4.332 -1.098 1.00 0.00 H new ATOM 456 N LEU A 35 -5.194 -6.405 1.670 1.00 0.00 N ATOM 457 CA LEU A 35 -6.195 -7.256 2.291 1.00 0.00 C ATOM 458 C LEU A 35 -6.045 -8.683 1.759 1.00 0.00 C ATOM 459 O LEU A 35 -5.936 -9.630 2.536 1.00 0.00 O ATOM 460 CB LEU A 35 -7.594 -6.670 2.093 1.00 0.00 C ATOM 461 CG LEU A 35 -7.776 -5.211 2.518 1.00 0.00 C ATOM 462 CD1 LEU A 35 -9.214 -4.746 2.278 1.00 0.00 C ATOM 463 CD2 LEU A 35 -7.341 -5.005 3.970 1.00 0.00 C ATOM 0 H LEU A 35 -5.295 -6.295 0.661 1.00 0.00 H new ATOM 0 HA LEU A 35 -6.043 -7.299 3.369 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -7.857 -6.756 1.039 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -8.305 -7.281 2.649 1.00 0.00 H new ATOM 0 HG LEU A 35 -7.129 -4.590 1.898 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -9.317 -3.706 2.588 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -9.453 -4.834 1.218 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -9.898 -5.367 2.857 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -7.480 -3.960 4.247 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -7.943 -5.637 4.623 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -6.289 -5.271 4.076 1.00 0.00 H new ATOM 474 N SER A 36 -6.045 -8.792 0.439 1.00 0.00 N ATOM 475 CA SER A 36 -5.910 -10.087 -0.206 1.00 0.00 C ATOM 476 C SER A 36 -5.269 -9.921 -1.585 1.00 0.00 C ATOM 477 O SER A 36 -5.538 -8.947 -2.285 1.00 0.00 O ATOM 478 CB SER A 36 -7.267 -10.783 -0.331 1.00 0.00 C ATOM 479 OG SER A 36 -7.166 -12.189 -0.130 1.00 0.00 O ATOM 0 H SER A 36 -6.136 -8.004 -0.202 1.00 0.00 H new ATOM 0 HA SER A 36 -5.267 -10.712 0.413 1.00 0.00 H new ATOM 0 HB2 SER A 36 -7.959 -10.361 0.398 1.00 0.00 H new ATOM 0 HB3 SER A 36 -7.685 -10.587 -1.318 1.00 0.00 H new ATOM 0 HG SER A 36 -6.559 -12.370 0.618 1.00 0.00 H new ATOM 484 N VAL A 37 -4.433 -10.888 -1.933 1.00 0.00 N ATOM 485 CA VAL A 37 -3.751 -10.861 -3.216 1.00 0.00 C ATOM 486 C VAL A 37 -4.408 -11.871 -4.158 1.00 0.00 C ATOM 487 O VAL A 37 -5.202 -12.705 -3.726 1.00 0.00 O ATOM 488 CB VAL A 37 -2.255 -11.115 -3.018 1.00 0.00 C ATOM 489 CG1 VAL A 37 -1.531 -11.198 -4.363 1.00 0.00 C ATOM 490 CG2 VAL A 37 -1.631 -10.041 -2.125 1.00 0.00 C ATOM 0 H VAL A 37 -4.212 -11.695 -1.349 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.843 -9.878 -3.677 1.00 0.00 H new ATOM 0 HB VAL A 37 -2.141 -12.076 -2.516 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.469 -11.379 -4.194 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.949 -12.015 -4.952 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.658 -10.260 -4.903 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -0.567 -10.245 -2.000 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.761 -9.063 -2.587 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -2.119 -10.050 -1.150 1.00 0.00 H new ATOM 500 N LYS A 38 -4.054 -11.763 -5.430 1.00 0.00 N ATOM 501 CA LYS A 38 -4.599 -12.655 -6.439 1.00 0.00 C ATOM 502 C LYS A 38 -3.660 -12.689 -7.646 1.00 0.00 C ATOM 503 O LYS A 38 -2.627 -12.021 -7.653 1.00 0.00 O ATOM 504 CB LYS A 38 -6.035 -12.256 -6.788 1.00 0.00 C ATOM 505 CG LYS A 38 -6.827 -13.458 -7.307 1.00 0.00 C ATOM 506 CD LYS A 38 -7.252 -13.248 -8.762 1.00 0.00 C ATOM 507 CE LYS A 38 -8.770 -13.106 -8.875 1.00 0.00 C ATOM 508 NZ LYS A 38 -9.169 -11.685 -8.766 1.00 0.00 N ATOM 0 H LYS A 38 -3.395 -11.070 -5.785 1.00 0.00 H new ATOM 0 HA LYS A 38 -4.660 -13.673 -6.054 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.527 -11.845 -5.906 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -6.025 -11.469 -7.543 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -6.220 -14.360 -7.228 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -7.709 -13.613 -6.685 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -6.769 -12.356 -9.160 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -6.916 -14.090 -9.368 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -9.109 -13.513 -9.828 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -9.255 -13.687 -8.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -9.777 -11.433 -9.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -9.690 -11.538 -7.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -8.320 -11.085 -8.772 1.00 0.00 H new ATOM 518 N ASP A 39 -4.053 -13.475 -8.639 1.00 0.00 N ATOM 519 CA ASP A 39 -3.259 -13.604 -9.849 1.00 0.00 C ATOM 520 C ASP A 39 -4.144 -14.127 -10.981 1.00 0.00 C ATOM 521 O ASP A 39 -4.771 -15.177 -10.850 1.00 0.00 O ATOM 522 CB ASP A 39 -2.110 -14.595 -9.650 1.00 0.00 C ATOM 523 CG ASP A 39 -1.579 -15.235 -10.934 1.00 0.00 C ATOM 524 OD1 ASP A 39 -2.226 -16.199 -11.398 1.00 0.00 O ATOM 525 OD2 ASP A 39 -0.537 -14.745 -11.424 1.00 0.00 O ATOM 0 H ASP A 39 -4.910 -14.028 -8.630 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.851 -12.623 -10.091 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -1.288 -14.080 -9.152 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -2.444 -15.386 -8.979 1.00 0.00 H new ATOM 529 N ILE A 40 -4.167 -13.371 -12.069 1.00 0.00 N ATOM 530 CA ILE A 40 -4.966 -13.745 -13.224 1.00 0.00 C ATOM 531 C ILE A 40 -4.091 -13.704 -14.478 1.00 0.00 C ATOM 532 O ILE A 40 -4.207 -12.788 -15.291 1.00 0.00 O ATOM 533 CB ILE A 40 -6.217 -12.869 -13.317 1.00 0.00 C ATOM 534 CG1 ILE A 40 -7.059 -12.978 -12.045 1.00 0.00 C ATOM 535 CG2 ILE A 40 -7.027 -13.201 -14.572 1.00 0.00 C ATOM 536 CD1 ILE A 40 -7.764 -11.654 -11.739 1.00 0.00 C ATOM 0 H ILE A 40 -3.645 -12.501 -12.175 1.00 0.00 H new ATOM 0 HA ILE A 40 -5.329 -14.768 -13.121 1.00 0.00 H new ATOM 0 HB ILE A 40 -5.900 -11.830 -13.404 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -7.799 -13.770 -12.161 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -6.422 -13.258 -11.206 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -7.911 -12.564 -14.614 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -6.414 -13.029 -15.457 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -7.334 -14.246 -14.541 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -8.356 -11.759 -10.830 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -7.020 -10.869 -11.599 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -8.419 -11.390 -12.570 1.00 0.00 H new ATOM 547 N SER A 41 -3.236 -14.709 -14.597 1.00 0.00 N ATOM 548 CA SER A 41 -2.341 -14.799 -15.738 1.00 0.00 C ATOM 549 C SER A 41 -1.261 -13.721 -15.643 1.00 0.00 C ATOM 550 O SER A 41 -1.060 -12.953 -16.583 1.00 0.00 O ATOM 551 CB SER A 41 -3.112 -14.665 -17.053 1.00 0.00 C ATOM 552 OG SER A 41 -2.718 -15.648 -18.005 1.00 0.00 O ATOM 0 H SER A 41 -3.144 -15.468 -13.922 1.00 0.00 H new ATOM 0 HA SER A 41 -1.866 -15.780 -15.724 1.00 0.00 H new ATOM 0 HB2 SER A 41 -4.180 -14.757 -16.858 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.949 -13.671 -17.469 1.00 0.00 H new ATOM 0 HG SER A 41 -3.234 -15.530 -18.830 1.00 0.00 H new ATOM 557 N GLY A 42 -0.592 -13.696 -14.500 1.00 0.00 N ATOM 558 CA GLY A 42 0.463 -12.725 -14.270 1.00 0.00 C ATOM 559 C GLY A 42 -0.099 -11.437 -13.665 1.00 0.00 C ATOM 560 O GLY A 42 0.616 -10.702 -12.985 1.00 0.00 O ATOM 0 H GLY A 42 -0.761 -14.334 -13.722 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.212 -13.148 -13.601 1.00 0.00 H new ATOM 0 HA3 GLY A 42 0.966 -12.500 -15.210 1.00 0.00 H new ATOM 564 N ARG A 43 -1.375 -11.203 -13.935 1.00 0.00 N ATOM 565 CA ARG A 43 -2.042 -10.017 -13.426 1.00 0.00 C ATOM 566 C ARG A 43 -2.414 -10.207 -11.954 1.00 0.00 C ATOM 567 O ARG A 43 -3.519 -10.646 -11.641 1.00 0.00 O ATOM 568 CB ARG A 43 -3.308 -9.709 -14.228 1.00 0.00 C ATOM 569 CG ARG A 43 -3.650 -8.219 -14.162 1.00 0.00 C ATOM 570 CD ARG A 43 -4.625 -7.932 -13.019 1.00 0.00 C ATOM 571 NE ARG A 43 -5.846 -7.280 -13.546 1.00 0.00 N ATOM 572 CZ ARG A 43 -5.873 -6.047 -14.067 1.00 0.00 C ATOM 573 NH1 ARG A 43 -4.747 -5.323 -14.135 1.00 0.00 N ATOM 574 NH2 ARG A 43 -7.026 -5.536 -14.521 1.00 0.00 N ATOM 0 H ARG A 43 -1.964 -11.815 -14.500 1.00 0.00 H new ATOM 0 HA ARG A 43 -1.350 -9.181 -13.525 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -3.166 -10.008 -15.267 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -4.141 -10.295 -13.839 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -2.738 -7.639 -14.022 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -4.088 -7.900 -15.108 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -4.888 -8.861 -12.513 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -4.150 -7.289 -12.278 1.00 0.00 H new ATOM 0 HE ARG A 43 -6.721 -7.803 -13.510 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -3.869 -5.711 -13.790 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -4.768 -4.384 -14.532 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -7.883 -6.087 -14.470 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -7.046 -4.597 -14.918 1.00 0.00 H new ATOM 585 N LYS A 44 -1.469 -9.866 -11.089 1.00 0.00 N ATOM 586 CA LYS A 44 -1.683 -9.995 -9.658 1.00 0.00 C ATOM 587 C LYS A 44 -2.625 -8.885 -9.186 1.00 0.00 C ATOM 588 O LYS A 44 -2.420 -7.715 -9.505 1.00 0.00 O ATOM 589 CB LYS A 44 -0.346 -10.023 -8.915 1.00 0.00 C ATOM 590 CG LYS A 44 0.050 -11.456 -8.553 1.00 0.00 C ATOM 591 CD LYS A 44 0.450 -11.558 -7.080 1.00 0.00 C ATOM 592 CE LYS A 44 1.843 -10.971 -6.848 1.00 0.00 C ATOM 593 NZ LYS A 44 2.115 -10.836 -5.400 1.00 0.00 N ATOM 0 H LYS A 44 -0.554 -9.501 -11.352 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.167 -10.945 -9.430 1.00 0.00 H new ATOM 0 HB2 LYS A 44 0.429 -9.574 -9.536 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -0.417 -9.421 -8.009 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -0.783 -12.129 -8.755 1.00 0.00 H new ATOM 0 HG3 LYS A 44 0.880 -11.778 -9.182 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -0.278 -11.030 -6.464 1.00 0.00 H new ATOM 0 HD3 LYS A 44 0.435 -12.602 -6.767 1.00 0.00 H new ATOM 0 HE2 LYS A 44 2.595 -11.613 -7.307 1.00 0.00 H new ATOM 0 HE3 LYS A 44 1.918 -9.996 -7.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 3.114 -11.054 -5.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 1.911 -9.862 -5.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 1.511 -11.497 -4.870 1.00 0.00 H new ATOM 603 N LEU A 45 -3.638 -9.291 -8.434 1.00 0.00 N ATOM 604 CA LEU A 45 -4.610 -8.345 -7.915 1.00 0.00 C ATOM 605 C LEU A 45 -4.472 -8.260 -6.394 1.00 0.00 C ATOM 606 O LEU A 45 -4.165 -9.254 -5.739 1.00 0.00 O ATOM 607 CB LEU A 45 -6.019 -8.715 -8.384 1.00 0.00 C ATOM 608 CG LEU A 45 -6.617 -7.826 -9.477 1.00 0.00 C ATOM 609 CD1 LEU A 45 -5.516 -7.177 -10.319 1.00 0.00 C ATOM 610 CD2 LEU A 45 -7.612 -8.608 -10.337 1.00 0.00 C ATOM 0 H LEU A 45 -3.806 -10.262 -8.172 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.418 -7.347 -8.309 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.001 -9.742 -8.748 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -6.685 -8.694 -7.521 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.172 -7.020 -8.997 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.968 -6.551 -11.088 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.882 -6.564 -9.679 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -4.913 -7.953 -10.791 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -8.022 -7.953 -11.106 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -7.103 -9.448 -10.810 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -8.421 -8.981 -9.709 1.00 0.00 H new ATOM 621 N PHE A 46 -4.704 -7.063 -5.877 1.00 0.00 N ATOM 622 CA PHE A 46 -4.609 -6.834 -4.445 1.00 0.00 C ATOM 623 C PHE A 46 -5.743 -5.929 -3.957 1.00 0.00 C ATOM 624 O PHE A 46 -5.867 -4.789 -4.404 1.00 0.00 O ATOM 625 CB PHE A 46 -3.271 -6.139 -4.191 1.00 0.00 C ATOM 626 CG PHE A 46 -2.090 -6.772 -4.930 1.00 0.00 C ATOM 627 CD1 PHE A 46 -1.884 -6.495 -6.246 1.00 0.00 C ATOM 628 CD2 PHE A 46 -1.246 -7.611 -4.271 1.00 0.00 C ATOM 629 CE1 PHE A 46 -0.789 -7.082 -6.932 1.00 0.00 C ATOM 630 CE2 PHE A 46 -0.151 -8.198 -4.957 1.00 0.00 C ATOM 631 CZ PHE A 46 0.055 -7.922 -6.273 1.00 0.00 C ATOM 0 H PHE A 46 -4.958 -6.240 -6.424 1.00 0.00 H new ATOM 0 HA PHE A 46 -4.682 -7.781 -3.911 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -3.354 -5.094 -4.488 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -3.065 -6.150 -3.121 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -2.554 -5.828 -6.769 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.409 -7.830 -3.226 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -0.626 -6.862 -7.977 1.00 0.00 H new ATOM 0 HE2 PHE A 46 0.519 -8.864 -4.434 1.00 0.00 H new ATOM 0 HZ PHE A 46 0.888 -8.369 -6.795 1.00 0.00 H new ATOM 640 N TYR A 47 -6.540 -6.469 -3.047 1.00 0.00 N ATOM 641 CA TYR A 47 -7.658 -5.724 -2.494 1.00 0.00 C ATOM 642 C TYR A 47 -7.183 -4.737 -1.426 1.00 0.00 C ATOM 643 O TYR A 47 -7.099 -5.085 -0.249 1.00 0.00 O ATOM 644 CB TYR A 47 -8.575 -6.761 -1.844 1.00 0.00 C ATOM 645 CG TYR A 47 -9.985 -6.247 -1.549 1.00 0.00 C ATOM 646 CD1 TYR A 47 -10.660 -5.501 -2.495 1.00 0.00 C ATOM 647 CD2 TYR A 47 -10.583 -6.527 -0.338 1.00 0.00 C ATOM 648 CE1 TYR A 47 -11.987 -5.017 -2.218 1.00 0.00 C ATOM 649 CE2 TYR A 47 -11.911 -6.042 -0.061 1.00 0.00 C ATOM 650 CZ TYR A 47 -12.547 -5.312 -1.014 1.00 0.00 C ATOM 651 OH TYR A 47 -13.801 -4.854 -0.752 1.00 0.00 O ATOM 0 H TYR A 47 -6.434 -7.414 -2.679 1.00 0.00 H new ATOM 0 HA TYR A 47 -8.162 -5.152 -3.273 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -8.646 -7.630 -2.499 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -8.121 -7.100 -0.913 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -10.192 -5.281 -3.443 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -10.056 -7.110 0.403 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -12.526 -4.433 -2.949 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -12.390 -6.254 0.883 1.00 0.00 H new ATOM 0 HH TYR A 47 -14.074 -5.141 0.144 1.00 0.00 H new ATOM 660 N VAL A 48 -6.888 -3.526 -1.873 1.00 0.00 N ATOM 661 CA VAL A 48 -6.426 -2.487 -0.969 1.00 0.00 C ATOM 662 C VAL A 48 -7.607 -1.604 -0.566 1.00 0.00 C ATOM 663 O VAL A 48 -8.586 -1.494 -1.304 1.00 0.00 O ATOM 664 CB VAL A 48 -5.285 -1.698 -1.618 1.00 0.00 C ATOM 665 CG1 VAL A 48 -4.208 -2.639 -2.160 1.00 0.00 C ATOM 666 CG2 VAL A 48 -5.813 -0.777 -2.719 1.00 0.00 C ATOM 0 H VAL A 48 -6.960 -3.241 -2.850 1.00 0.00 H new ATOM 0 HA VAL A 48 -6.023 -2.927 -0.057 1.00 0.00 H new ATOM 0 HB VAL A 48 -4.829 -1.074 -0.849 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -3.409 -2.054 -2.616 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -3.801 -3.235 -1.343 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -4.645 -3.300 -2.908 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -4.983 -0.228 -3.164 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.306 -1.373 -3.487 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -6.527 -0.072 -2.293 1.00 0.00 H new ATOM 676 N HIS A 49 -7.480 -0.998 0.605 1.00 0.00 N ATOM 677 CA HIS A 49 -8.526 -0.128 1.117 1.00 0.00 C ATOM 678 C HIS A 49 -7.928 1.231 1.488 1.00 0.00 C ATOM 679 O HIS A 49 -7.092 1.321 2.384 1.00 0.00 O ATOM 680 CB HIS A 49 -9.262 -0.791 2.283 1.00 0.00 C ATOM 681 CG HIS A 49 -10.400 0.033 2.838 1.00 0.00 C ATOM 682 ND1 HIS A 49 -11.597 -0.526 3.252 1.00 0.00 N ATOM 683 CD2 HIS A 49 -10.510 1.376 3.045 1.00 0.00 C ATOM 684 CE1 HIS A 49 -12.384 0.447 3.685 1.00 0.00 C ATOM 685 NE2 HIS A 49 -11.709 1.626 3.556 1.00 0.00 N ATOM 0 H HIS A 49 -6.668 -1.092 1.215 1.00 0.00 H new ATOM 0 HA HIS A 49 -9.273 0.043 0.342 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -9.651 -1.754 1.953 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -8.549 -0.992 3.082 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -9.750 2.112 2.830 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -13.385 0.328 4.072 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -12.067 2.547 3.810 1.00 0.00 H new ATOM 692 N TYR A 50 -8.382 2.254 0.778 1.00 0.00 N ATOM 693 CA TYR A 50 -7.902 3.604 1.021 1.00 0.00 C ATOM 694 C TYR A 50 -8.251 4.062 2.438 1.00 0.00 C ATOM 695 O TYR A 50 -9.417 4.303 2.748 1.00 0.00 O ATOM 696 CB TYR A 50 -8.631 4.498 0.016 1.00 0.00 C ATOM 697 CG TYR A 50 -8.362 4.135 -1.447 1.00 0.00 C ATOM 698 CD1 TYR A 50 -7.067 3.953 -1.886 1.00 0.00 C ATOM 699 CD2 TYR A 50 -9.416 3.991 -2.326 1.00 0.00 C ATOM 700 CE1 TYR A 50 -6.814 3.613 -3.263 1.00 0.00 C ATOM 701 CE2 TYR A 50 -9.163 3.651 -3.703 1.00 0.00 C ATOM 702 CZ TYR A 50 -7.875 3.478 -4.103 1.00 0.00 C ATOM 703 OH TYR A 50 -7.636 3.156 -5.403 1.00 0.00 O ATOM 0 H TYR A 50 -9.076 2.175 0.035 1.00 0.00 H new ATOM 0 HA TYR A 50 -6.818 3.651 0.914 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -9.703 4.439 0.203 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -8.334 5.533 0.184 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -6.243 4.065 -1.197 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -10.430 4.133 -1.982 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -5.805 3.469 -3.620 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -9.978 3.536 -4.402 1.00 0.00 H new ATOM 0 HH TYR A 50 -8.034 2.283 -5.602 1.00 0.00 H new ATOM 712 N ILE A 51 -7.219 4.169 3.262 1.00 0.00 N ATOM 713 CA ILE A 51 -7.402 4.595 4.640 1.00 0.00 C ATOM 714 C ILE A 51 -7.141 6.099 4.743 1.00 0.00 C ATOM 715 O ILE A 51 -6.219 6.526 5.436 1.00 0.00 O ATOM 716 CB ILE A 51 -6.535 3.755 5.579 1.00 0.00 C ATOM 717 CG1 ILE A 51 -5.081 3.722 5.103 1.00 0.00 C ATOM 718 CG2 ILE A 51 -7.113 2.348 5.748 1.00 0.00 C ATOM 719 CD1 ILE A 51 -4.755 2.390 4.424 1.00 0.00 C ATOM 0 H ILE A 51 -6.253 3.968 3.002 1.00 0.00 H new ATOM 0 HA ILE A 51 -8.431 4.427 4.958 1.00 0.00 H new ATOM 0 HB ILE A 51 -6.542 4.227 6.561 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -4.904 4.542 4.407 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -4.414 3.875 5.951 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -6.477 1.772 6.420 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -8.117 2.415 6.167 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.157 1.854 4.778 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -3.716 2.394 4.096 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -4.909 1.574 5.130 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -5.407 2.252 3.562 1.00 0.00 H new ATOM 844 N GLU A 59 -11.177 -1.853 -2.754 1.00 0.00 N ATOM 845 CA GLU A 59 -11.236 -2.168 -4.171 1.00 0.00 C ATOM 846 C GLU A 59 -9.978 -2.927 -4.598 1.00 0.00 C ATOM 847 O GLU A 59 -8.943 -2.845 -3.937 1.00 0.00 O ATOM 848 CB GLU A 59 -11.420 -0.900 -5.007 1.00 0.00 C ATOM 849 CG GLU A 59 -10.221 0.036 -4.857 1.00 0.00 C ATOM 850 CD GLU A 59 -10.309 1.204 -5.841 1.00 0.00 C ATOM 851 OE1 GLU A 59 -11.428 1.742 -5.983 1.00 0.00 O ATOM 852 OE2 GLU A 59 -9.256 1.532 -6.430 1.00 0.00 O ATOM 0 HA GLU A 59 -12.101 -2.808 -4.346 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -11.548 -1.167 -6.056 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -12.329 -0.385 -4.697 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -10.179 0.418 -3.837 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -9.299 -0.519 -5.028 1.00 0.00 H new ATOM 857 N TRP A 60 -10.107 -3.650 -5.701 1.00 0.00 N ATOM 858 CA TRP A 60 -8.994 -4.423 -6.225 1.00 0.00 C ATOM 859 C TRP A 60 -8.105 -3.481 -7.040 1.00 0.00 C ATOM 860 O TRP A 60 -8.604 -2.685 -7.834 1.00 0.00 O ATOM 861 CB TRP A 60 -9.492 -5.624 -7.033 1.00 0.00 C ATOM 862 CG TRP A 60 -10.294 -6.635 -6.213 1.00 0.00 C ATOM 863 CD1 TRP A 60 -11.607 -6.625 -5.944 1.00 0.00 C ATOM 864 CD2 TRP A 60 -9.779 -7.816 -5.562 1.00 0.00 C ATOM 865 NE1 TRP A 60 -11.975 -7.706 -5.170 1.00 0.00 N ATOM 866 CE2 TRP A 60 -10.827 -8.454 -4.931 1.00 0.00 C ATOM 867 CE3 TRP A 60 -8.471 -8.327 -5.506 1.00 0.00 C ATOM 868 CZ2 TRP A 60 -10.675 -9.639 -4.200 1.00 0.00 C ATOM 869 CZ3 TRP A 60 -8.335 -9.512 -4.773 1.00 0.00 C ATOM 870 CH2 TRP A 60 -9.381 -10.167 -4.132 1.00 0.00 C ATOM 0 H TRP A 60 -10.966 -3.717 -6.247 1.00 0.00 H new ATOM 0 HA TRP A 60 -8.402 -4.844 -5.413 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -10.112 -5.265 -7.855 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -8.635 -6.130 -7.478 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -12.292 -5.865 -6.290 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -12.915 -7.918 -4.835 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -7.636 -7.843 -5.991 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -11.512 -10.119 -3.715 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -7.349 -9.948 -4.700 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -9.195 -11.079 -3.584 1.00 0.00 H new ATOM 880 N VAL A 61 -6.805 -3.602 -6.815 1.00 0.00 N ATOM 881 CA VAL A 61 -5.843 -2.772 -7.519 1.00 0.00 C ATOM 882 C VAL A 61 -4.757 -3.661 -8.127 1.00 0.00 C ATOM 883 O VAL A 61 -4.817 -4.885 -8.016 1.00 0.00 O ATOM 884 CB VAL A 61 -5.283 -1.706 -6.575 1.00 0.00 C ATOM 885 CG1 VAL A 61 -6.370 -0.711 -6.165 1.00 0.00 C ATOM 886 CG2 VAL A 61 -4.635 -2.347 -5.346 1.00 0.00 C ATOM 0 H VAL A 61 -6.395 -4.263 -6.155 1.00 0.00 H new ATOM 0 HA VAL A 61 -6.325 -2.241 -8.340 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.511 -1.156 -7.112 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -5.945 0.036 -5.494 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.766 -0.218 -7.053 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -7.175 -1.241 -5.655 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.245 -1.567 -4.692 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -5.379 -2.934 -4.807 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -3.819 -2.997 -5.662 1.00 0.00 H new ATOM 896 N THR A 62 -3.789 -3.012 -8.758 1.00 0.00 N ATOM 897 CA THR A 62 -2.691 -3.728 -9.384 1.00 0.00 C ATOM 898 C THR A 62 -1.375 -3.416 -8.671 1.00 0.00 C ATOM 899 O THR A 62 -1.358 -2.678 -7.687 1.00 0.00 O ATOM 900 CB THR A 62 -2.678 -3.367 -10.871 1.00 0.00 C ATOM 901 OG1 THR A 62 -2.653 -1.942 -10.881 1.00 0.00 O ATOM 902 CG2 THR A 62 -3.992 -3.721 -11.572 1.00 0.00 C ATOM 0 H THR A 62 -3.743 -1.997 -8.849 1.00 0.00 H new ATOM 0 HA THR A 62 -2.822 -4.807 -9.298 1.00 0.00 H new ATOM 0 HB THR A 62 -1.854 -3.884 -11.363 1.00 0.00 H new ATOM 0 HG1 THR A 62 -2.988 -1.615 -11.742 1.00 0.00 H new ATOM 0 HG21 THR A 62 -3.929 -3.444 -12.624 1.00 0.00 H new ATOM 0 HG22 THR A 62 -4.171 -4.793 -11.489 1.00 0.00 H new ATOM 0 HG23 THR A 62 -4.813 -3.178 -11.103 1.00 0.00 H new ATOM 910 N HIS A 63 -0.303 -3.992 -9.195 1.00 0.00 N ATOM 911 CA HIS A 63 1.016 -3.784 -8.621 1.00 0.00 C ATOM 912 C HIS A 63 1.538 -2.403 -9.023 1.00 0.00 C ATOM 913 O HIS A 63 2.142 -1.704 -8.210 1.00 0.00 O ATOM 914 CB HIS A 63 1.965 -4.915 -9.018 1.00 0.00 C ATOM 915 CG HIS A 63 3.427 -4.581 -8.840 1.00 0.00 C ATOM 916 ND1 HIS A 63 4.414 -5.059 -9.684 1.00 0.00 N ATOM 917 CD2 HIS A 63 4.058 -3.813 -7.906 1.00 0.00 C ATOM 918 CE1 HIS A 63 5.582 -4.593 -9.268 1.00 0.00 C ATOM 919 NE2 HIS A 63 5.359 -3.822 -8.165 1.00 0.00 N ATOM 0 H HIS A 63 -0.321 -4.603 -10.011 1.00 0.00 H new ATOM 0 HA HIS A 63 0.952 -3.807 -7.533 1.00 0.00 H new ATOM 0 HB2 HIS A 63 1.730 -5.798 -8.424 1.00 0.00 H new ATOM 0 HB3 HIS A 63 1.787 -5.176 -10.061 1.00 0.00 H new ATOM 0 HD2 HIS A 63 3.580 -3.287 -7.093 1.00 0.00 H new ATOM 0 HE1 HIS A 63 6.542 -4.789 -9.722 1.00 0.00 H new ATOM 0 HE2 HIS A 63 6.075 -3.333 -7.628 1.00 0.00 H new ATOM 926 N GLU A 64 1.287 -2.052 -10.275 1.00 0.00 N ATOM 927 CA GLU A 64 1.724 -0.767 -10.793 1.00 0.00 C ATOM 928 C GLU A 64 1.318 0.357 -9.839 1.00 0.00 C ATOM 929 O GLU A 64 1.984 1.389 -9.769 1.00 0.00 O ATOM 930 CB GLU A 64 1.165 -0.523 -12.197 1.00 0.00 C ATOM 931 CG GLU A 64 -0.350 -0.324 -12.157 1.00 0.00 C ATOM 932 CD GLU A 64 -1.024 -0.998 -13.353 1.00 0.00 C ATOM 933 OE1 GLU A 64 -1.346 -2.198 -13.223 1.00 0.00 O ATOM 934 OE2 GLU A 64 -1.203 -0.297 -14.373 1.00 0.00 O ATOM 0 H GLU A 64 0.787 -2.635 -10.946 1.00 0.00 H new ATOM 0 HA GLU A 64 2.811 -0.779 -10.867 1.00 0.00 H new ATOM 0 HB2 GLU A 64 1.639 0.356 -12.633 1.00 0.00 H new ATOM 0 HB3 GLU A 64 1.407 -1.369 -12.841 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -0.750 -0.736 -11.230 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -0.580 0.741 -12.158 1.00 0.00 H new ATOM 939 N ARG A 65 0.226 0.120 -9.127 1.00 0.00 N ATOM 940 CA ARG A 65 -0.278 1.100 -8.179 1.00 0.00 C ATOM 941 C ARG A 65 0.405 0.924 -6.822 1.00 0.00 C ATOM 942 O ARG A 65 0.496 1.872 -6.042 1.00 0.00 O ATOM 943 CB ARG A 65 -1.792 0.967 -8.002 1.00 0.00 C ATOM 944 CG ARG A 65 -2.524 1.238 -9.317 1.00 0.00 C ATOM 945 CD ARG A 65 -3.973 0.752 -9.249 1.00 0.00 C ATOM 946 NE ARG A 65 -4.847 1.651 -10.035 1.00 0.00 N ATOM 947 CZ ARG A 65 -4.871 1.692 -11.374 1.00 0.00 C ATOM 948 NH1 ARG A 65 -4.069 0.886 -12.085 1.00 0.00 N ATOM 949 NH2 ARG A 65 -5.696 2.540 -12.004 1.00 0.00 N ATOM 0 H ARG A 65 -0.324 -0.737 -9.187 1.00 0.00 H new ATOM 0 HA ARG A 65 -0.056 2.091 -8.576 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -2.033 -0.035 -7.647 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -2.135 1.666 -7.240 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -2.505 2.306 -9.534 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -2.007 0.737 -10.135 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -4.042 -0.265 -9.635 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -4.307 0.723 -8.212 1.00 0.00 H new ATOM 0 HE ARG A 65 -5.470 2.278 -9.526 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -3.440 0.241 -11.606 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -4.088 0.918 -13.104 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -6.306 3.154 -11.464 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -5.714 2.571 -13.023 1.00 0.00 H new ATOM 960 N LEU A 66 0.867 -0.293 -6.580 1.00 0.00 N ATOM 961 CA LEU A 66 1.540 -0.604 -5.330 1.00 0.00 C ATOM 962 C LEU A 66 2.921 0.054 -5.321 1.00 0.00 C ATOM 963 O LEU A 66 3.772 -0.266 -6.150 1.00 0.00 O ATOM 964 CB LEU A 66 1.579 -2.117 -5.105 1.00 0.00 C ATOM 965 CG LEU A 66 0.224 -2.801 -4.908 1.00 0.00 C ATOM 966 CD1 LEU A 66 0.354 -4.320 -5.037 1.00 0.00 C ATOM 967 CD2 LEU A 66 -0.410 -2.390 -3.578 1.00 0.00 C ATOM 0 H LEU A 66 0.789 -1.076 -7.228 1.00 0.00 H new ATOM 0 HA LEU A 66 0.985 -0.193 -4.487 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.076 -2.579 -5.958 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.196 -2.318 -4.229 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.446 -2.467 -5.700 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.623 -4.782 -4.893 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.731 -4.570 -6.029 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.046 -4.691 -4.281 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.372 -2.890 -3.463 1.00 0.00 H new ATOM 0 HD22 LEU A 66 0.248 -2.676 -2.757 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.559 -1.310 -3.564 1.00 0.00 H new ATOM 978 N ASP A 67 3.102 0.963 -4.374 1.00 0.00 N ATOM 979 CA ASP A 67 4.365 1.670 -4.246 1.00 0.00 C ATOM 980 C ASP A 67 5.168 1.065 -3.092 1.00 0.00 C ATOM 981 O ASP A 67 5.307 1.682 -2.037 1.00 0.00 O ATOM 982 CB ASP A 67 4.139 3.151 -3.939 1.00 0.00 C ATOM 983 CG ASP A 67 5.199 4.098 -4.504 1.00 0.00 C ATOM 984 OD1 ASP A 67 5.987 3.627 -5.352 1.00 0.00 O ATOM 985 OD2 ASP A 67 5.199 5.273 -4.075 1.00 0.00 O ATOM 0 H ASP A 67 2.395 1.226 -3.688 1.00 0.00 H new ATOM 0 HA ASP A 67 4.901 1.576 -5.190 1.00 0.00 H new ATOM 0 HB2 ASP A 67 3.165 3.444 -4.332 1.00 0.00 H new ATOM 0 HB3 ASP A 67 4.098 3.280 -2.857 1.00 0.00 H new ATOM 989 N LEU A 68 5.676 -0.135 -3.333 1.00 0.00 N ATOM 990 CA LEU A 68 6.462 -0.830 -2.327 1.00 0.00 C ATOM 991 C LEU A 68 7.553 0.105 -1.803 1.00 0.00 C ATOM 992 O LEU A 68 8.072 -0.093 -0.706 1.00 0.00 O ATOM 993 CB LEU A 68 6.998 -2.150 -2.884 1.00 0.00 C ATOM 994 CG LEU A 68 6.035 -2.947 -3.766 1.00 0.00 C ATOM 995 CD1 LEU A 68 6.482 -4.404 -3.889 1.00 0.00 C ATOM 996 CD2 LEU A 68 4.597 -2.827 -3.255 1.00 0.00 C ATOM 0 H LEU A 68 5.559 -0.643 -4.209 1.00 0.00 H new ATOM 0 HA LEU A 68 5.838 -1.100 -1.475 1.00 0.00 H new ATOM 0 HB2 LEU A 68 7.898 -1.939 -3.462 1.00 0.00 H new ATOM 0 HB3 LEU A 68 7.298 -2.780 -2.046 1.00 0.00 H new ATOM 0 HG LEU A 68 6.056 -2.520 -4.769 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.780 -4.948 -4.521 1.00 0.00 H new ATOM 0 HD12 LEU A 68 7.476 -4.443 -4.334 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.509 -4.861 -2.900 1.00 0.00 H new ATOM 0 HD21 LEU A 68 3.933 -3.403 -3.899 1.00 0.00 H new ATOM 0 HD22 LEU A 68 4.539 -3.213 -2.237 1.00 0.00 H new ATOM 0 HD23 LEU A 68 4.294 -1.780 -3.264 1.00 0.00 H new ATOM 1007 N LYS A 69 7.871 1.104 -2.613 1.00 0.00 N ATOM 1008 CA LYS A 69 8.891 2.071 -2.245 1.00 0.00 C ATOM 1009 C LYS A 69 8.415 2.871 -1.029 1.00 0.00 C ATOM 1010 O LYS A 69 9.190 3.615 -0.430 1.00 0.00 O ATOM 1011 CB LYS A 69 9.263 2.942 -3.446 1.00 0.00 C ATOM 1012 CG LYS A 69 9.621 2.079 -4.658 1.00 0.00 C ATOM 1013 CD LYS A 69 10.904 2.577 -5.326 1.00 0.00 C ATOM 1014 CE LYS A 69 10.833 2.404 -6.846 1.00 0.00 C ATOM 1015 NZ LYS A 69 12.016 1.661 -7.338 1.00 0.00 N ATOM 0 H LYS A 69 7.440 1.265 -3.523 1.00 0.00 H new ATOM 0 HA LYS A 69 9.810 1.562 -1.953 1.00 0.00 H new ATOM 0 HB2 LYS A 69 8.430 3.599 -3.696 1.00 0.00 H new ATOM 0 HB3 LYS A 69 10.107 3.582 -3.188 1.00 0.00 H new ATOM 0 HG2 LYS A 69 9.748 1.042 -4.346 1.00 0.00 H new ATOM 0 HG3 LYS A 69 8.802 2.097 -5.377 1.00 0.00 H new ATOM 0 HD2 LYS A 69 11.061 3.628 -5.083 1.00 0.00 H new ATOM 0 HD3 LYS A 69 11.760 2.028 -4.933 1.00 0.00 H new ATOM 0 HE2 LYS A 69 9.922 1.869 -7.115 1.00 0.00 H new ATOM 0 HE3 LYS A 69 10.783 3.381 -7.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 11.953 1.552 -8.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 12.881 2.187 -7.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 12.046 0.722 -6.892 1.00 0.00 H new ATOM 1025 N LYS A 70 7.145 2.690 -0.703 1.00 0.00 N ATOM 1026 CA LYS A 70 6.557 3.386 0.429 1.00 0.00 C ATOM 1027 C LYS A 70 5.721 2.400 1.249 1.00 0.00 C ATOM 1028 O LYS A 70 4.781 2.800 1.936 1.00 0.00 O ATOM 1029 CB LYS A 70 5.774 4.612 -0.044 1.00 0.00 C ATOM 1030 CG LYS A 70 6.701 5.633 -0.705 1.00 0.00 C ATOM 1031 CD LYS A 70 6.304 7.061 -0.327 1.00 0.00 C ATOM 1032 CE LYS A 70 7.208 8.083 -1.019 1.00 0.00 C ATOM 1033 NZ LYS A 70 7.236 9.352 -0.256 1.00 0.00 N ATOM 0 H LYS A 70 6.506 2.072 -1.202 1.00 0.00 H new ATOM 0 HA LYS A 70 7.336 3.769 1.088 1.00 0.00 H new ATOM 0 HB2 LYS A 70 5.003 4.305 -0.750 1.00 0.00 H new ATOM 0 HB3 LYS A 70 5.265 5.072 0.803 1.00 0.00 H new ATOM 0 HG2 LYS A 70 7.731 5.445 -0.400 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.663 5.516 -1.788 1.00 0.00 H new ATOM 0 HD2 LYS A 70 5.266 7.240 -0.607 1.00 0.00 H new ATOM 0 HD3 LYS A 70 6.369 7.186 0.754 1.00 0.00 H new ATOM 0 HE2 LYS A 70 8.218 7.683 -1.107 1.00 0.00 H new ATOM 0 HE3 LYS A 70 6.849 8.268 -2.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 7.854 10.034 -0.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 6.273 9.741 -0.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 7.600 9.173 0.702 1.00 0.00 H new ATOM 1043 N ILE A 71 6.092 1.133 1.150 1.00 0.00 N ATOM 1044 CA ILE A 71 5.388 0.088 1.873 1.00 0.00 C ATOM 1045 C ILE A 71 5.653 0.245 3.372 1.00 0.00 C ATOM 1046 O ILE A 71 6.563 0.968 3.773 1.00 0.00 O ATOM 1047 CB ILE A 71 5.763 -1.290 1.324 1.00 0.00 C ATOM 1048 CG1 ILE A 71 4.513 -2.096 0.963 1.00 0.00 C ATOM 1049 CG2 ILE A 71 6.668 -2.043 2.302 1.00 0.00 C ATOM 1050 CD1 ILE A 71 4.850 -3.576 0.774 1.00 0.00 C ATOM 0 H ILE A 71 6.872 0.806 0.580 1.00 0.00 H new ATOM 0 HA ILE A 71 4.312 0.182 1.726 1.00 0.00 H new ATOM 0 HB ILE A 71 6.331 -1.148 0.405 1.00 0.00 H new ATOM 0 HG12 ILE A 71 3.766 -1.987 1.749 1.00 0.00 H new ATOM 0 HG13 ILE A 71 4.072 -1.700 0.048 1.00 0.00 H new ATOM 0 HG21 ILE A 71 6.919 -3.019 1.887 1.00 0.00 H new ATOM 0 HG22 ILE A 71 7.582 -1.472 2.465 1.00 0.00 H new ATOM 0 HG23 ILE A 71 6.148 -2.175 3.251 1.00 0.00 H new ATOM 0 HD11 ILE A 71 3.944 -4.126 0.518 1.00 0.00 H new ATOM 0 HD12 ILE A 71 5.579 -3.684 -0.029 1.00 0.00 H new ATOM 0 HD13 ILE A 71 5.268 -3.975 1.698 1.00 0.00 H new ATOM 1061 N GLN A 72 4.840 -0.446 4.159 1.00 0.00 N ATOM 1062 CA GLN A 72 4.975 -0.391 5.604 1.00 0.00 C ATOM 1063 C GLN A 72 4.456 -1.686 6.235 1.00 0.00 C ATOM 1064 O GLN A 72 3.490 -1.666 6.995 1.00 0.00 O ATOM 1065 CB GLN A 72 4.248 0.827 6.178 1.00 0.00 C ATOM 1066 CG GLN A 72 5.122 2.080 6.084 1.00 0.00 C ATOM 1067 CD GLN A 72 4.771 3.076 7.192 1.00 0.00 C ATOM 1068 OE1 GLN A 72 5.311 3.043 8.286 1.00 0.00 O ATOM 1069 NE2 GLN A 72 3.841 3.962 6.849 1.00 0.00 N ATOM 0 H GLN A 72 4.087 -1.046 3.823 1.00 0.00 H new ATOM 0 HA GLN A 72 6.033 -0.289 5.846 1.00 0.00 H new ATOM 0 HB2 GLN A 72 3.316 0.988 5.636 1.00 0.00 H new ATOM 0 HB3 GLN A 72 3.984 0.640 7.219 1.00 0.00 H new ATOM 0 HG2 GLN A 72 6.173 1.801 6.160 1.00 0.00 H new ATOM 0 HG3 GLN A 72 4.986 2.551 5.110 1.00 0.00 H new ATOM 0 HE21 GLN A 72 3.429 3.934 5.916 1.00 0.00 H new ATOM 0 HE22 GLN A 72 3.539 4.670 7.519 1.00 0.00 H new ATOM 1076 N PHE A 73 5.121 -2.780 5.894 1.00 0.00 N ATOM 1077 CA PHE A 73 4.740 -4.081 6.417 1.00 0.00 C ATOM 1078 C PHE A 73 4.298 -3.977 7.879 1.00 0.00 C ATOM 1079 O PHE A 73 4.739 -3.085 8.602 1.00 0.00 O ATOM 1080 CB PHE A 73 5.976 -4.977 6.333 1.00 0.00 C ATOM 1081 CG PHE A 73 6.191 -5.614 4.958 1.00 0.00 C ATOM 1082 CD1 PHE A 73 6.763 -4.891 3.957 1.00 0.00 C ATOM 1083 CD2 PHE A 73 5.812 -6.900 4.737 1.00 0.00 C ATOM 1084 CE1 PHE A 73 6.961 -5.482 2.681 1.00 0.00 C ATOM 1085 CE2 PHE A 73 6.011 -7.491 3.462 1.00 0.00 C ATOM 1086 CZ PHE A 73 6.582 -6.769 2.460 1.00 0.00 C ATOM 0 H PHE A 73 5.921 -2.792 5.262 1.00 0.00 H new ATOM 0 HA PHE A 73 3.906 -4.483 5.841 1.00 0.00 H new ATOM 0 HB2 PHE A 73 6.857 -4.389 6.591 1.00 0.00 H new ATOM 0 HB3 PHE A 73 5.891 -5.767 7.079 1.00 0.00 H new ATOM 0 HD1 PHE A 73 7.066 -3.869 4.133 1.00 0.00 H new ATOM 0 HD2 PHE A 73 5.359 -7.473 5.532 1.00 0.00 H new ATOM 0 HE1 PHE A 73 7.413 -4.909 1.885 1.00 0.00 H new ATOM 0 HE2 PHE A 73 5.709 -8.513 3.287 1.00 0.00 H new ATOM 0 HZ PHE A 73 6.734 -7.218 1.490 1.00 0.00 H new ATOM 1095 N PRO A 74 3.409 -4.925 8.279 1.00 0.00 N ATOM 1096 CA PRO A 74 2.903 -4.947 9.641 1.00 0.00 C ATOM 1097 C PRO A 74 3.961 -5.480 10.610 1.00 0.00 C ATOM 1098 O PRO A 74 4.809 -6.283 10.228 1.00 0.00 O ATOM 1099 CB PRO A 74 1.658 -5.818 9.583 1.00 0.00 C ATOM 1100 CG PRO A 74 1.773 -6.625 8.300 1.00 0.00 C ATOM 1101 CD PRO A 74 2.864 -5.996 7.450 1.00 0.00 C ATOM 0 HA PRO A 74 2.661 -3.953 10.017 1.00 0.00 H new ATOM 0 HB2 PRO A 74 1.599 -6.473 10.452 1.00 0.00 H new ATOM 0 HB3 PRO A 74 0.755 -5.208 9.581 1.00 0.00 H new ATOM 0 HG2 PRO A 74 2.014 -7.664 8.523 1.00 0.00 H new ATOM 0 HG3 PRO A 74 0.824 -6.626 7.764 1.00 0.00 H new ATOM 0 HD2 PRO A 74 3.632 -6.724 7.189 1.00 0.00 H new ATOM 0 HD3 PRO A 74 2.462 -5.607 6.514 1.00 0.00 H new