USER MOD reduce.3.24.130724 H: found=0, std=0, add=669, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 669 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 68 SER OG : rot 120:sc= -0.234 USER MOD Set 1.2: A 72 THR OG1 : rot 162:sc= 0.0127 USER MOD Single : A 6 THR OG1 : rot -40:sc= 0.117 USER MOD Single : A 8 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 15 GLN : amide:sc= 0.752 K(o=0.75,f=-0.87) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -1.63 K(o=-1.6,f=-4.1) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -0.477 X(o=-0.48,f=-0.0066) USER MOD Single : A 29 TYR OH : rot 30:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.419 K(o=-0.42,f=-1.3) USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 32 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0242) USER MOD Single : A 35 SER OG : rot 88:sc= 0.26 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -0.424 K(o=-0.42,f=-1.1) USER MOD Single : A 56 LYS NZ :NH3+ -162:sc= -0.0637 (180deg=-0.385) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= -0.256 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 81 THR OG1 : rot 90:sc= 1.29 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 ASN : amide:sc=-0.00279 K(o=-0.0028,f=-1.2) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 82 N THR A 6 10.622 -6.017 -10.842 1.00 0.00 N ATOM 83 CA THR A 6 11.496 -6.428 -9.755 1.00 0.00 C ATOM 84 C THR A 6 11.951 -7.875 -9.938 1.00 0.00 C ATOM 85 O THR A 6 11.523 -8.559 -10.867 1.00 0.00 O ATOM 86 CB THR A 6 10.776 -6.266 -8.417 1.00 0.00 C ATOM 87 OG1 THR A 6 9.603 -7.045 -8.414 1.00 0.00 O ATOM 88 CG2 THR A 6 10.404 -4.803 -8.176 1.00 0.00 C ATOM 0 HA THR A 6 12.380 -5.791 -9.764 1.00 0.00 H new ATOM 0 HB THR A 6 11.447 -6.596 -7.624 1.00 0.00 H new ATOM 0 HG1 THR A 6 9.171 -6.990 -9.292 1.00 0.00 H new ATOM 0 HG21 THR A 6 9.892 -4.711 -7.218 1.00 0.00 H new ATOM 0 HG22 THR A 6 11.308 -4.195 -8.165 1.00 0.00 H new ATOM 0 HG23 THR A 6 9.745 -4.459 -8.974 1.00 0.00 H new ATOM 96 N ASP A 7 12.827 -8.347 -9.049 1.00 0.00 N ATOM 97 CA ASP A 7 13.365 -9.700 -9.122 1.00 0.00 C ATOM 98 C ASP A 7 12.265 -10.746 -8.936 1.00 0.00 C ATOM 99 O ASP A 7 12.476 -11.915 -9.233 1.00 0.00 O ATOM 100 CB ASP A 7 14.440 -9.875 -8.048 1.00 0.00 C ATOM 101 CG ASP A 7 15.465 -8.749 -8.109 1.00 0.00 C ATOM 102 OD1 ASP A 7 16.424 -8.889 -8.897 1.00 0.00 O ATOM 103 OD2 ASP A 7 15.280 -7.760 -7.368 1.00 0.00 O ATOM 0 H ASP A 7 13.180 -7.802 -8.262 1.00 0.00 H new ATOM 0 HA ASP A 7 13.801 -9.847 -10.110 1.00 0.00 H new ATOM 0 HB2 ASP A 7 13.974 -9.894 -7.063 1.00 0.00 H new ATOM 0 HB3 ASP A 7 14.940 -10.834 -8.183 1.00 0.00 H new ATOM 108 N GLN A 8 11.088 -10.341 -8.445 1.00 0.00 N ATOM 109 CA GLN A 8 10.010 -11.280 -8.187 1.00 0.00 C ATOM 110 C GLN A 8 9.411 -11.782 -9.495 1.00 0.00 C ATOM 111 O GLN A 8 9.187 -12.980 -9.643 1.00 0.00 O ATOM 112 CB GLN A 8 8.951 -10.607 -7.312 1.00 0.00 C ATOM 113 CG GLN A 8 7.858 -11.603 -6.917 1.00 0.00 C ATOM 114 CD GLN A 8 6.812 -10.970 -6.003 1.00 0.00 C ATOM 115 OE1 GLN A 8 6.882 -9.790 -5.673 1.00 0.00 O ATOM 116 NE2 GLN A 8 5.821 -11.754 -5.583 1.00 0.00 N ATOM 0 H GLN A 8 10.866 -9.371 -8.222 1.00 0.00 H new ATOM 0 HA GLN A 8 10.403 -12.147 -7.656 1.00 0.00 H new ATOM 0 HB2 GLN A 8 9.419 -10.200 -6.416 1.00 0.00 H new ATOM 0 HB3 GLN A 8 8.508 -9.769 -7.850 1.00 0.00 H new ATOM 0 HG2 GLN A 8 7.372 -11.983 -7.815 1.00 0.00 H new ATOM 0 HG3 GLN A 8 8.310 -12.457 -6.413 1.00 0.00 H new ATOM 0 HE21 GLN A 8 5.786 -12.732 -5.872 1.00 0.00 H new ATOM 0 HE22 GLN A 8 5.096 -11.377 -4.972 1.00 0.00 H new ATOM 125 N VAL A 9 9.147 -10.882 -10.450 1.00 0.00 N ATOM 126 CA VAL A 9 8.571 -11.276 -11.730 1.00 0.00 C ATOM 127 C VAL A 9 9.657 -11.749 -12.687 1.00 0.00 C ATOM 128 O VAL A 9 9.388 -12.545 -13.585 1.00 0.00 O ATOM 129 CB VAL A 9 7.778 -10.106 -12.322 1.00 0.00 C ATOM 130 CG1 VAL A 9 8.676 -8.894 -12.557 1.00 0.00 C ATOM 131 CG2 VAL A 9 7.136 -10.502 -13.650 1.00 0.00 C ATOM 0 H VAL A 9 9.324 -9.882 -10.356 1.00 0.00 H new ATOM 0 HA VAL A 9 7.889 -12.111 -11.572 1.00 0.00 H new ATOM 0 HB VAL A 9 7.003 -9.847 -11.601 1.00 0.00 H new ATOM 0 HG11 VAL A 9 8.086 -8.080 -12.977 1.00 0.00 H new ATOM 0 HG12 VAL A 9 9.112 -8.575 -11.610 1.00 0.00 H new ATOM 0 HG13 VAL A 9 9.473 -9.161 -13.251 1.00 0.00 H new ATOM 0 HG21 VAL A 9 6.578 -9.656 -14.051 1.00 0.00 H new ATOM 0 HG22 VAL A 9 7.913 -10.793 -14.357 1.00 0.00 H new ATOM 0 HG23 VAL A 9 6.458 -11.340 -13.491 1.00 0.00 H new ATOM 141 N LEU A 10 10.893 -11.271 -12.505 1.00 0.00 N ATOM 142 CA LEU A 10 11.988 -11.648 -13.380 1.00 0.00 C ATOM 143 C LEU A 10 12.387 -13.098 -13.111 1.00 0.00 C ATOM 144 O LEU A 10 12.893 -13.777 -13.999 1.00 0.00 O ATOM 145 CB LEU A 10 13.140 -10.662 -13.160 1.00 0.00 C ATOM 146 CG LEU A 10 14.253 -10.784 -14.206 1.00 0.00 C ATOM 147 CD1 LEU A 10 13.719 -10.541 -15.616 1.00 0.00 C ATOM 148 CD2 LEU A 10 15.313 -9.723 -13.917 1.00 0.00 C ATOM 0 H LEU A 10 11.151 -10.625 -11.759 1.00 0.00 H new ATOM 0 HA LEU A 10 11.694 -11.596 -14.428 1.00 0.00 H new ATOM 0 HB2 LEU A 10 12.747 -9.646 -13.176 1.00 0.00 H new ATOM 0 HB3 LEU A 10 13.563 -10.825 -12.169 1.00 0.00 H new ATOM 0 HG LEU A 10 14.665 -11.791 -14.151 1.00 0.00 H new ATOM 0 HD11 LEU A 10 14.533 -10.635 -16.335 1.00 0.00 H new ATOM 0 HD12 LEU A 10 12.947 -11.276 -15.844 1.00 0.00 H new ATOM 0 HD13 LEU A 10 13.295 -9.539 -15.677 1.00 0.00 H new ATOM 0 HD21 LEU A 10 16.113 -9.797 -14.654 1.00 0.00 H new ATOM 0 HD22 LEU A 10 14.861 -8.733 -13.971 1.00 0.00 H new ATOM 0 HD23 LEU A 10 15.723 -9.881 -12.919 1.00 0.00 H new ATOM 160 N VAL A 11 12.157 -13.586 -11.887 1.00 0.00 N ATOM 161 CA VAL A 11 12.414 -14.981 -11.548 1.00 0.00 C ATOM 162 C VAL A 11 11.290 -15.866 -12.077 1.00 0.00 C ATOM 163 O VAL A 11 11.552 -16.983 -12.523 1.00 0.00 O ATOM 164 CB VAL A 11 12.591 -15.118 -10.032 1.00 0.00 C ATOM 165 CG1 VAL A 11 12.527 -16.581 -9.585 1.00 0.00 C ATOM 166 CG2 VAL A 11 13.957 -14.561 -9.635 1.00 0.00 C ATOM 0 H VAL A 11 11.792 -13.029 -11.115 1.00 0.00 H new ATOM 0 HA VAL A 11 13.337 -15.313 -12.023 1.00 0.00 H new ATOM 0 HB VAL A 11 11.782 -14.567 -9.552 1.00 0.00 H new ATOM 0 HG11 VAL A 11 12.657 -16.637 -8.504 1.00 0.00 H new ATOM 0 HG12 VAL A 11 11.559 -17.003 -9.857 1.00 0.00 H new ATOM 0 HG13 VAL A 11 13.320 -17.146 -10.075 1.00 0.00 H new ATOM 0 HG21 VAL A 11 14.089 -14.656 -8.557 1.00 0.00 H new ATOM 0 HG22 VAL A 11 14.740 -15.120 -10.147 1.00 0.00 H new ATOM 0 HG23 VAL A 11 14.017 -13.510 -9.917 1.00 0.00 H new ATOM 176 N GLU A 12 10.037 -15.396 -12.043 1.00 0.00 N ATOM 177 CA GLU A 12 8.934 -16.175 -12.600 1.00 0.00 C ATOM 178 C GLU A 12 9.068 -16.268 -14.114 1.00 0.00 C ATOM 179 O GLU A 12 8.641 -17.252 -14.716 1.00 0.00 O ATOM 180 CB GLU A 12 7.593 -15.530 -12.252 1.00 0.00 C ATOM 181 CG GLU A 12 7.357 -15.522 -10.746 1.00 0.00 C ATOM 182 CD GLU A 12 5.954 -15.016 -10.414 1.00 0.00 C ATOM 183 OE1 GLU A 12 5.734 -13.791 -10.531 1.00 0.00 O ATOM 184 OE2 GLU A 12 5.110 -15.865 -10.043 1.00 0.00 O ATOM 0 H GLU A 12 9.768 -14.497 -11.643 1.00 0.00 H new ATOM 0 HA GLU A 12 8.972 -17.175 -12.169 1.00 0.00 H new ATOM 0 HB2 GLU A 12 7.569 -14.508 -12.632 1.00 0.00 H new ATOM 0 HB3 GLU A 12 6.787 -16.073 -12.746 1.00 0.00 H new ATOM 0 HG2 GLU A 12 7.488 -16.528 -10.349 1.00 0.00 H new ATOM 0 HG3 GLU A 12 8.100 -14.889 -10.261 1.00 0.00 H new ATOM 191 N ARG A 13 9.663 -15.246 -14.737 1.00 0.00 N ATOM 192 CA ARG A 13 9.850 -15.223 -16.177 1.00 0.00 C ATOM 193 C ARG A 13 10.918 -16.227 -16.599 1.00 0.00 C ATOM 194 O ARG A 13 10.827 -16.796 -17.686 1.00 0.00 O ATOM 195 CB ARG A 13 10.190 -13.791 -16.587 1.00 0.00 C ATOM 196 CG ARG A 13 10.468 -13.706 -18.083 1.00 0.00 C ATOM 197 CD ARG A 13 10.479 -12.242 -18.516 1.00 0.00 C ATOM 198 NE ARG A 13 9.126 -11.769 -18.823 1.00 0.00 N ATOM 199 CZ ARG A 13 8.517 -11.955 -20.000 1.00 0.00 C ATOM 200 NH1 ARG A 13 9.123 -12.605 -20.990 1.00 0.00 N ATOM 201 NH2 ARG A 13 7.289 -11.486 -20.193 1.00 0.00 N ATOM 0 H ARG A 13 10.023 -14.422 -14.256 1.00 0.00 H new ATOM 0 HA ARG A 13 8.937 -15.526 -16.690 1.00 0.00 H new ATOM 0 HB2 ARG A 13 9.364 -13.128 -16.328 1.00 0.00 H new ATOM 0 HB3 ARG A 13 11.062 -13.446 -16.031 1.00 0.00 H new ATOM 0 HG2 ARG A 13 11.426 -14.172 -18.313 1.00 0.00 H new ATOM 0 HG3 ARG A 13 9.706 -14.255 -18.637 1.00 0.00 H new ATOM 0 HD2 ARG A 13 10.910 -11.629 -17.724 1.00 0.00 H new ATOM 0 HD3 ARG A 13 11.116 -12.124 -19.393 1.00 0.00 H new ATOM 0 HE ARG A 13 8.618 -11.267 -18.095 1.00 0.00 H new ATOM 0 HH11 ARG A 13 10.066 -12.970 -20.858 1.00 0.00 H new ATOM 0 HH12 ARG A 13 8.644 -12.738 -21.881 1.00 0.00 H new ATOM 0 HH21 ARG A 13 6.811 -10.985 -19.444 1.00 0.00 H new ATOM 0 HH22 ARG A 13 6.824 -11.627 -21.090 1.00 0.00 H new ATOM 215 N VAL A 14 11.927 -16.461 -15.755 1.00 0.00 N ATOM 216 CA VAL A 14 12.945 -17.464 -16.056 1.00 0.00 C ATOM 217 C VAL A 14 12.373 -18.869 -15.870 1.00 0.00 C ATOM 218 O VAL A 14 12.822 -19.806 -16.530 1.00 0.00 O ATOM 219 CB VAL A 14 14.186 -17.229 -15.185 1.00 0.00 C ATOM 220 CG1 VAL A 14 15.230 -18.323 -15.397 1.00 0.00 C ATOM 221 CG2 VAL A 14 14.828 -15.896 -15.565 1.00 0.00 C ATOM 0 H VAL A 14 12.058 -15.974 -14.868 1.00 0.00 H new ATOM 0 HA VAL A 14 13.250 -17.372 -17.098 1.00 0.00 H new ATOM 0 HB VAL A 14 13.864 -17.232 -14.144 1.00 0.00 H new ATOM 0 HG11 VAL A 14 16.096 -18.127 -14.765 1.00 0.00 H new ATOM 0 HG12 VAL A 14 14.802 -19.290 -15.135 1.00 0.00 H new ATOM 0 HG13 VAL A 14 15.538 -18.334 -16.442 1.00 0.00 H new ATOM 0 HG21 VAL A 14 15.710 -15.728 -14.947 1.00 0.00 H new ATOM 0 HG22 VAL A 14 15.120 -15.919 -16.615 1.00 0.00 H new ATOM 0 HG23 VAL A 14 14.113 -15.089 -15.405 1.00 0.00 H new ATOM 231 N GLN A 15 11.382 -19.032 -14.987 1.00 0.00 N ATOM 232 CA GLN A 15 10.714 -20.318 -14.805 1.00 0.00 C ATOM 233 C GLN A 15 9.808 -20.629 -15.995 1.00 0.00 C ATOM 234 O GLN A 15 9.390 -21.775 -16.164 1.00 0.00 O ATOM 235 CB GLN A 15 9.919 -20.313 -13.499 1.00 0.00 C ATOM 236 CG GLN A 15 10.870 -20.309 -12.299 1.00 0.00 C ATOM 237 CD GLN A 15 10.124 -20.339 -10.972 1.00 0.00 C ATOM 238 OE1 GLN A 15 8.911 -20.144 -10.918 1.00 0.00 O ATOM 239 NE2 GLN A 15 10.846 -20.586 -9.883 1.00 0.00 N ATOM 0 H GLN A 15 11.027 -18.286 -14.388 1.00 0.00 H new ATOM 0 HA GLN A 15 11.469 -21.102 -14.748 1.00 0.00 H new ATOM 0 HB2 GLN A 15 9.272 -19.436 -13.462 1.00 0.00 H new ATOM 0 HB3 GLN A 15 9.272 -21.189 -13.456 1.00 0.00 H new ATOM 0 HG2 GLN A 15 11.533 -21.172 -12.360 1.00 0.00 H new ATOM 0 HG3 GLN A 15 11.499 -19.420 -12.340 1.00 0.00 H new ATOM 0 HE21 GLN A 15 11.851 -20.744 -9.962 1.00 0.00 H new ATOM 0 HE22 GLN A 15 10.395 -20.618 -8.969 1.00 0.00 H new ATOM 248 N LYS A 16 9.501 -19.624 -16.823 1.00 0.00 N ATOM 249 CA LYS A 16 8.761 -19.821 -18.065 1.00 0.00 C ATOM 250 C LYS A 16 9.700 -20.194 -19.218 1.00 0.00 C ATOM 251 O LYS A 16 9.259 -20.302 -20.360 1.00 0.00 O ATOM 252 CB LYS A 16 7.933 -18.578 -18.388 1.00 0.00 C ATOM 253 CG LYS A 16 6.804 -18.427 -17.370 1.00 0.00 C ATOM 254 CD LYS A 16 6.001 -17.166 -17.680 1.00 0.00 C ATOM 255 CE LYS A 16 4.898 -16.990 -16.638 1.00 0.00 C ATOM 256 NZ LYS A 16 4.093 -15.787 -16.915 1.00 0.00 N ATOM 0 H LYS A 16 9.760 -18.653 -16.647 1.00 0.00 H new ATOM 0 HA LYS A 16 8.075 -20.658 -17.932 1.00 0.00 H new ATOM 0 HB2 LYS A 16 8.569 -17.693 -18.373 1.00 0.00 H new ATOM 0 HB3 LYS A 16 7.520 -18.657 -19.394 1.00 0.00 H new ATOM 0 HG2 LYS A 16 6.154 -19.301 -17.401 1.00 0.00 H new ATOM 0 HG3 LYS A 16 7.215 -18.370 -16.362 1.00 0.00 H new ATOM 0 HD2 LYS A 16 6.657 -16.296 -17.680 1.00 0.00 H new ATOM 0 HD3 LYS A 16 5.565 -17.236 -18.677 1.00 0.00 H new ATOM 0 HE2 LYS A 16 4.254 -17.869 -16.634 1.00 0.00 H new ATOM 0 HE3 LYS A 16 5.341 -16.914 -15.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 3.351 -15.692 -16.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 4.706 -14.947 -16.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 3.653 -15.872 -17.853 1.00 0.00 H new ATOM 270 N GLY A 17 10.990 -20.394 -18.922 1.00 0.00 N ATOM 271 CA GLY A 17 11.974 -20.819 -19.903 1.00 0.00 C ATOM 272 C GLY A 17 12.638 -19.648 -20.623 1.00 0.00 C ATOM 273 O GLY A 17 13.374 -19.864 -21.584 1.00 0.00 O ATOM 0 H GLY A 17 11.375 -20.262 -17.987 1.00 0.00 H new ATOM 0 HA2 GLY A 17 12.740 -21.416 -19.407 1.00 0.00 H new ATOM 0 HA3 GLY A 17 11.492 -21.465 -20.637 1.00 0.00 H new ATOM 277 N ASP A 18 12.387 -18.413 -20.175 1.00 0.00 N ATOM 278 CA ASP A 18 12.984 -17.233 -20.785 1.00 0.00 C ATOM 279 C ASP A 18 14.436 -17.095 -20.324 1.00 0.00 C ATOM 280 O ASP A 18 14.698 -16.682 -19.195 1.00 0.00 O ATOM 281 CB ASP A 18 12.159 -16.009 -20.391 1.00 0.00 C ATOM 282 CG ASP A 18 12.530 -14.767 -21.194 1.00 0.00 C ATOM 283 OD1 ASP A 18 13.667 -14.719 -21.709 1.00 0.00 O ATOM 284 OD2 ASP A 18 11.662 -13.868 -21.282 1.00 0.00 O ATOM 0 H ASP A 18 11.771 -18.210 -19.388 1.00 0.00 H new ATOM 0 HA ASP A 18 12.985 -17.323 -21.871 1.00 0.00 H new ATOM 0 HB2 ASP A 18 11.101 -16.227 -20.535 1.00 0.00 H new ATOM 0 HB3 ASP A 18 12.301 -15.806 -19.329 1.00 0.00 H new ATOM 289 N GLN A 19 15.383 -17.446 -21.198 1.00 0.00 N ATOM 290 CA GLN A 19 16.796 -17.389 -20.853 1.00 0.00 C ATOM 291 C GLN A 19 17.320 -15.957 -20.962 1.00 0.00 C ATOM 292 O GLN A 19 18.287 -15.594 -20.296 1.00 0.00 O ATOM 293 CB GLN A 19 17.557 -18.371 -21.750 1.00 0.00 C ATOM 294 CG GLN A 19 18.950 -18.696 -21.202 1.00 0.00 C ATOM 295 CD GLN A 19 19.972 -17.588 -21.432 1.00 0.00 C ATOM 296 OE1 GLN A 19 19.864 -16.811 -22.375 1.00 0.00 O ATOM 297 NE2 GLN A 19 20.978 -17.512 -20.565 1.00 0.00 N ATOM 0 H GLN A 19 15.192 -17.771 -22.146 1.00 0.00 H new ATOM 0 HA GLN A 19 16.948 -17.687 -19.816 1.00 0.00 H new ATOM 0 HB2 GLN A 19 16.982 -19.292 -21.846 1.00 0.00 H new ATOM 0 HB3 GLN A 19 17.652 -17.948 -22.750 1.00 0.00 H new ATOM 0 HG2 GLN A 19 18.874 -18.892 -20.132 1.00 0.00 H new ATOM 0 HG3 GLN A 19 19.310 -19.613 -21.669 1.00 0.00 H new ATOM 0 HE21 GLN A 19 21.036 -18.175 -19.792 1.00 0.00 H new ATOM 0 HE22 GLN A 19 21.691 -16.791 -20.673 1.00 0.00 H new ATOM 306 N LYS A 20 16.686 -15.128 -21.798 1.00 0.00 N ATOM 307 CA LYS A 20 17.116 -13.746 -21.977 1.00 0.00 C ATOM 308 C LYS A 20 16.765 -12.935 -20.740 1.00 0.00 C ATOM 309 O LYS A 20 17.473 -11.986 -20.403 1.00 0.00 O ATOM 310 CB LYS A 20 16.446 -13.149 -23.218 1.00 0.00 C ATOM 311 CG LYS A 20 16.690 -13.948 -24.508 1.00 0.00 C ATOM 312 CD LYS A 20 18.077 -13.745 -25.131 1.00 0.00 C ATOM 313 CE LYS A 20 19.206 -14.345 -24.294 1.00 0.00 C ATOM 314 NZ LYS A 20 20.477 -14.354 -25.042 1.00 0.00 N ATOM 0 H LYS A 20 15.876 -15.393 -22.358 1.00 0.00 H new ATOM 0 HA LYS A 20 18.196 -13.719 -22.118 1.00 0.00 H new ATOM 0 HB2 LYS A 20 15.372 -13.083 -23.042 1.00 0.00 H new ATOM 0 HB3 LYS A 20 16.809 -12.131 -23.360 1.00 0.00 H new ATOM 0 HG2 LYS A 20 16.553 -15.008 -24.295 1.00 0.00 H new ATOM 0 HG3 LYS A 20 15.933 -13.670 -25.241 1.00 0.00 H new ATOM 0 HD2 LYS A 20 18.091 -14.194 -26.124 1.00 0.00 H new ATOM 0 HD3 LYS A 20 18.257 -12.678 -25.261 1.00 0.00 H new ATOM 0 HE2 LYS A 20 19.326 -13.771 -23.375 1.00 0.00 H new ATOM 0 HE3 LYS A 20 18.945 -15.362 -24.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 21.226 -14.767 -24.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 20.367 -14.922 -25.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 20.736 -13.380 -25.298 1.00 0.00 H new ATOM 328 N ALA A 21 15.681 -13.299 -20.051 1.00 0.00 N ATOM 329 CA ALA A 21 15.309 -12.642 -18.809 1.00 0.00 C ATOM 330 C ALA A 21 16.322 -12.978 -17.717 1.00 0.00 C ATOM 331 O ALA A 21 16.540 -12.182 -16.806 1.00 0.00 O ATOM 332 CB ALA A 21 13.908 -13.101 -18.409 1.00 0.00 C ATOM 0 H ALA A 21 15.049 -14.046 -20.338 1.00 0.00 H new ATOM 0 HA ALA A 21 15.307 -11.561 -18.945 1.00 0.00 H new ATOM 0 HB1 ALA A 21 13.618 -12.614 -17.478 1.00 0.00 H new ATOM 0 HB2 ALA A 21 13.200 -12.835 -19.194 1.00 0.00 H new ATOM 0 HB3 ALA A 21 13.905 -14.182 -18.270 1.00 0.00 H new ATOM 338 N PHE A 22 16.948 -14.155 -17.805 1.00 0.00 N ATOM 339 CA PHE A 22 17.974 -14.532 -16.850 1.00 0.00 C ATOM 340 C PHE A 22 19.251 -13.740 -17.110 1.00 0.00 C ATOM 341 O PHE A 22 20.000 -13.451 -16.183 1.00 0.00 O ATOM 342 CB PHE A 22 18.245 -16.035 -16.936 1.00 0.00 C ATOM 343 CG PHE A 22 19.183 -16.515 -15.851 1.00 0.00 C ATOM 344 CD1 PHE A 22 18.742 -16.551 -14.521 1.00 0.00 C ATOM 345 CD2 PHE A 22 20.488 -16.918 -16.173 1.00 0.00 C ATOM 346 CE1 PHE A 22 19.613 -16.976 -13.507 1.00 0.00 C ATOM 347 CE2 PHE A 22 21.358 -17.342 -15.157 1.00 0.00 C ATOM 348 CZ PHE A 22 20.921 -17.363 -13.823 1.00 0.00 C ATOM 0 H PHE A 22 16.759 -14.853 -18.524 1.00 0.00 H new ATOM 0 HA PHE A 22 17.624 -14.301 -15.844 1.00 0.00 H new ATOM 0 HB2 PHE A 22 17.302 -16.576 -16.863 1.00 0.00 H new ATOM 0 HB3 PHE A 22 18.672 -16.269 -17.911 1.00 0.00 H new ATOM 0 HD1 PHE A 22 17.733 -16.252 -14.277 1.00 0.00 H new ATOM 0 HD2 PHE A 22 20.822 -16.902 -17.200 1.00 0.00 H new ATOM 0 HE1 PHE A 22 19.275 -17.005 -12.482 1.00 0.00 H new ATOM 0 HE2 PHE A 22 22.363 -17.652 -15.401 1.00 0.00 H new ATOM 0 HZ PHE A 22 21.594 -17.678 -13.040 1.00 0.00 H new ATOM 358 N ASN A 23 19.513 -13.376 -18.368 1.00 0.00 N ATOM 359 CA ASN A 23 20.690 -12.587 -18.700 1.00 0.00 C ATOM 360 C ASN A 23 20.598 -11.204 -18.055 1.00 0.00 C ATOM 361 O ASN A 23 21.609 -10.659 -17.620 1.00 0.00 O ATOM 362 CB ASN A 23 20.808 -12.490 -20.222 1.00 0.00 C ATOM 363 CG ASN A 23 22.027 -11.679 -20.639 1.00 0.00 C ATOM 364 OD1 ASN A 23 23.090 -12.233 -20.901 1.00 0.00 O ATOM 365 ND2 ASN A 23 21.883 -10.357 -20.707 1.00 0.00 N ATOM 0 H ASN A 23 18.926 -13.616 -19.166 1.00 0.00 H new ATOM 0 HA ASN A 23 21.586 -13.069 -18.310 1.00 0.00 H new ATOM 0 HB2 ASN A 23 20.874 -13.492 -20.647 1.00 0.00 H new ATOM 0 HB3 ASN A 23 19.908 -12.030 -20.629 1.00 0.00 H new ATOM 0 HD21 ASN A 23 22.671 -9.772 -20.984 1.00 0.00 H new ATOM 0 HD22 ASN A 23 20.985 -9.930 -20.482 1.00 0.00 H new ATOM 372 N LEU A 24 19.393 -10.631 -17.985 1.00 0.00 N ATOM 373 CA LEU A 24 19.203 -9.347 -17.321 1.00 0.00 C ATOM 374 C LEU A 24 19.340 -9.516 -15.806 1.00 0.00 C ATOM 375 O LEU A 24 19.703 -8.567 -15.113 1.00 0.00 O ATOM 376 CB LEU A 24 17.830 -8.766 -17.678 1.00 0.00 C ATOM 377 CG LEU A 24 17.803 -7.949 -18.981 1.00 0.00 C ATOM 378 CD1 LEU A 24 18.741 -6.745 -18.899 1.00 0.00 C ATOM 379 CD2 LEU A 24 18.178 -8.790 -20.195 1.00 0.00 C ATOM 0 H LEU A 24 18.543 -11.035 -18.378 1.00 0.00 H new ATOM 0 HA LEU A 24 19.970 -8.652 -17.663 1.00 0.00 H new ATOM 0 HB2 LEU A 24 17.114 -9.584 -17.762 1.00 0.00 H new ATOM 0 HB3 LEU A 24 17.494 -8.131 -16.858 1.00 0.00 H new ATOM 0 HG LEU A 24 16.776 -7.603 -19.103 1.00 0.00 H new ATOM 0 HD11 LEU A 24 18.700 -6.187 -19.835 1.00 0.00 H new ATOM 0 HD12 LEU A 24 18.432 -6.099 -18.077 1.00 0.00 H new ATOM 0 HD13 LEU A 24 19.761 -7.089 -18.726 1.00 0.00 H new ATOM 0 HD21 LEU A 24 18.145 -8.170 -21.091 1.00 0.00 H new ATOM 0 HD22 LEU A 24 19.185 -9.187 -20.065 1.00 0.00 H new ATOM 0 HD23 LEU A 24 17.473 -9.615 -20.298 1.00 0.00 H new ATOM 391 N LEU A 25 19.052 -10.717 -15.295 1.00 0.00 N ATOM 392 CA LEU A 25 19.189 -11.012 -13.877 1.00 0.00 C ATOM 393 C LEU A 25 20.665 -11.231 -13.530 1.00 0.00 C ATOM 394 O LEU A 25 21.081 -10.969 -12.401 1.00 0.00 O ATOM 395 CB LEU A 25 18.327 -12.244 -13.581 1.00 0.00 C ATOM 396 CG LEU A 25 18.217 -12.586 -12.097 1.00 0.00 C ATOM 397 CD1 LEU A 25 17.486 -11.494 -11.318 1.00 0.00 C ATOM 398 CD2 LEU A 25 17.414 -13.879 -11.972 1.00 0.00 C ATOM 0 H LEU A 25 18.720 -11.503 -15.854 1.00 0.00 H new ATOM 0 HA LEU A 25 18.847 -10.182 -13.258 1.00 0.00 H new ATOM 0 HB2 LEU A 25 17.326 -12.078 -13.980 1.00 0.00 H new ATOM 0 HB3 LEU A 25 18.743 -13.101 -14.110 1.00 0.00 H new ATOM 0 HG LEU A 25 19.222 -12.685 -11.687 1.00 0.00 H new ATOM 0 HD11 LEU A 25 17.428 -11.774 -10.266 1.00 0.00 H new ATOM 0 HD12 LEU A 25 18.029 -10.554 -11.414 1.00 0.00 H new ATOM 0 HD13 LEU A 25 16.479 -11.374 -11.718 1.00 0.00 H new ATOM 0 HD21 LEU A 25 17.319 -14.148 -10.920 1.00 0.00 H new ATOM 0 HD22 LEU A 25 16.422 -13.734 -12.400 1.00 0.00 H new ATOM 0 HD23 LEU A 25 17.927 -14.679 -12.506 1.00 0.00 H new ATOM 410 N VAL A 26 21.460 -11.708 -14.494 1.00 0.00 N ATOM 411 CA VAL A 26 22.897 -11.874 -14.318 1.00 0.00 C ATOM 412 C VAL A 26 23.574 -10.507 -14.341 1.00 0.00 C ATOM 413 O VAL A 26 24.433 -10.235 -13.509 1.00 0.00 O ATOM 414 CB VAL A 26 23.467 -12.774 -15.423 1.00 0.00 C ATOM 415 CG1 VAL A 26 24.997 -12.757 -15.399 1.00 0.00 C ATOM 416 CG2 VAL A 26 23.004 -14.219 -15.237 1.00 0.00 C ATOM 0 H VAL A 26 21.121 -11.988 -15.414 1.00 0.00 H new ATOM 0 HA VAL A 26 23.089 -12.350 -13.356 1.00 0.00 H new ATOM 0 HB VAL A 26 23.105 -12.387 -16.376 1.00 0.00 H new ATOM 0 HG11 VAL A 26 25.380 -13.401 -16.190 1.00 0.00 H new ATOM 0 HG12 VAL A 26 25.352 -11.739 -15.556 1.00 0.00 H new ATOM 0 HG13 VAL A 26 25.350 -13.119 -14.433 1.00 0.00 H new ATOM 0 HG21 VAL A 26 23.420 -14.839 -16.031 1.00 0.00 H new ATOM 0 HG22 VAL A 26 23.346 -14.589 -14.271 1.00 0.00 H new ATOM 0 HG23 VAL A 26 21.915 -14.260 -15.277 1.00 0.00 H new ATOM 426 N VAL A 27 23.194 -9.641 -15.286 1.00 0.00 N ATOM 427 CA VAL A 27 23.774 -8.308 -15.389 1.00 0.00 C ATOM 428 C VAL A 27 23.420 -7.481 -14.154 1.00 0.00 C ATOM 429 O VAL A 27 24.122 -6.528 -13.822 1.00 0.00 O ATOM 430 CB VAL A 27 23.271 -7.640 -16.675 1.00 0.00 C ATOM 431 CG1 VAL A 27 23.663 -6.164 -16.745 1.00 0.00 C ATOM 432 CG2 VAL A 27 23.886 -8.342 -17.890 1.00 0.00 C ATOM 0 H VAL A 27 22.485 -9.845 -15.990 1.00 0.00 H new ATOM 0 HA VAL A 27 24.861 -8.378 -15.435 1.00 0.00 H new ATOM 0 HB VAL A 27 22.184 -7.719 -16.674 1.00 0.00 H new ATOM 0 HG11 VAL A 27 23.286 -5.731 -17.672 1.00 0.00 H new ATOM 0 HG12 VAL A 27 23.234 -5.633 -15.896 1.00 0.00 H new ATOM 0 HG13 VAL A 27 24.749 -6.074 -16.718 1.00 0.00 H new ATOM 0 HG21 VAL A 27 23.529 -7.867 -18.804 1.00 0.00 H new ATOM 0 HG22 VAL A 27 24.972 -8.266 -17.843 1.00 0.00 H new ATOM 0 HG23 VAL A 27 23.595 -9.392 -17.889 1.00 0.00 H new ATOM 442 N ARG A 28 22.330 -7.842 -13.472 1.00 0.00 N ATOM 443 CA ARG A 28 21.880 -7.133 -12.283 1.00 0.00 C ATOM 444 C ARG A 28 22.766 -7.427 -11.071 1.00 0.00 C ATOM 445 O ARG A 28 22.981 -6.536 -10.250 1.00 0.00 O ATOM 446 CB ARG A 28 20.425 -7.533 -12.028 1.00 0.00 C ATOM 447 CG ARG A 28 19.824 -6.738 -10.866 1.00 0.00 C ATOM 448 CD ARG A 28 18.340 -7.065 -10.711 1.00 0.00 C ATOM 449 NE ARG A 28 17.550 -6.519 -11.823 1.00 0.00 N ATOM 450 CZ ARG A 28 16.235 -6.703 -11.963 1.00 0.00 C ATOM 451 NH1 ARG A 28 15.555 -7.449 -11.100 1.00 0.00 N ATOM 452 NH2 ARG A 28 15.589 -6.138 -12.980 1.00 0.00 N ATOM 0 H ARG A 28 21.740 -8.632 -13.732 1.00 0.00 H new ATOM 0 HA ARG A 28 21.951 -6.058 -12.445 1.00 0.00 H new ATOM 0 HB2 ARG A 28 19.836 -7.364 -12.930 1.00 0.00 H new ATOM 0 HB3 ARG A 28 20.372 -8.599 -11.808 1.00 0.00 H new ATOM 0 HG2 ARG A 28 20.354 -6.974 -9.943 1.00 0.00 H new ATOM 0 HG3 ARG A 28 19.951 -5.670 -11.043 1.00 0.00 H new ATOM 0 HD2 ARG A 28 18.207 -8.146 -10.665 1.00 0.00 H new ATOM 0 HD3 ARG A 28 17.973 -6.659 -9.768 1.00 0.00 H new ATOM 0 HE ARG A 28 18.035 -5.967 -12.530 1.00 0.00 H new ATOM 0 HH11 ARG A 28 16.037 -7.891 -10.317 1.00 0.00 H new ATOM 0 HH12 ARG A 28 14.551 -7.580 -11.220 1.00 0.00 H new ATOM 0 HH21 ARG A 28 16.098 -5.565 -13.652 1.00 0.00 H new ATOM 0 HH22 ARG A 28 14.584 -6.278 -13.087 1.00 0.00 H new ATOM 466 N TYR A 29 23.275 -8.657 -10.951 1.00 0.00 N ATOM 467 CA TYR A 29 24.072 -9.054 -9.794 1.00 0.00 C ATOM 468 C TYR A 29 25.527 -9.383 -10.110 1.00 0.00 C ATOM 469 O TYR A 29 26.266 -9.730 -9.194 1.00 0.00 O ATOM 470 CB TYR A 29 23.370 -10.207 -9.076 1.00 0.00 C ATOM 471 CG TYR A 29 22.050 -9.785 -8.479 1.00 0.00 C ATOM 472 CD1 TYR A 29 22.036 -8.917 -7.380 1.00 0.00 C ATOM 473 CD2 TYR A 29 20.848 -10.244 -9.033 1.00 0.00 C ATOM 474 CE1 TYR A 29 20.818 -8.484 -6.842 1.00 0.00 C ATOM 475 CE2 TYR A 29 19.622 -9.813 -8.504 1.00 0.00 C ATOM 476 CZ TYR A 29 19.607 -8.923 -7.409 1.00 0.00 C ATOM 477 OH TYR A 29 18.422 -8.487 -6.897 1.00 0.00 O ATOM 0 H TYR A 29 23.147 -9.394 -11.644 1.00 0.00 H new ATOM 0 HA TYR A 29 24.135 -8.187 -9.136 1.00 0.00 H new ATOM 0 HB2 TYR A 29 23.205 -11.024 -9.778 1.00 0.00 H new ATOM 0 HB3 TYR A 29 24.018 -10.590 -8.288 1.00 0.00 H new ATOM 0 HD1 TYR A 29 22.966 -8.581 -6.947 1.00 0.00 H new ATOM 0 HD2 TYR A 29 20.865 -10.930 -9.867 1.00 0.00 H new ATOM 0 HE1 TYR A 29 20.808 -7.815 -5.994 1.00 0.00 H new ATOM 0 HE2 TYR A 29 18.694 -10.161 -8.933 1.00 0.00 H new ATOM 0 HH TYR A 29 18.539 -7.590 -6.520 1.00 0.00 H new ATOM 487 N GLN A 30 25.962 -9.289 -11.371 1.00 0.00 N ATOM 488 CA GLN A 30 27.316 -9.699 -11.735 1.00 0.00 C ATOM 489 C GLN A 30 28.398 -8.911 -10.991 1.00 0.00 C ATOM 490 O GLN A 30 29.475 -9.447 -10.736 1.00 0.00 O ATOM 491 CB GLN A 30 27.521 -9.595 -13.250 1.00 0.00 C ATOM 492 CG GLN A 30 27.312 -8.171 -13.771 1.00 0.00 C ATOM 493 CD GLN A 30 27.502 -8.089 -15.282 1.00 0.00 C ATOM 494 OE1 GLN A 30 27.903 -9.053 -15.929 1.00 0.00 O ATOM 495 NE2 GLN A 30 27.213 -6.928 -15.858 1.00 0.00 N ATOM 0 H GLN A 30 25.401 -8.936 -12.147 1.00 0.00 H new ATOM 0 HA GLN A 30 27.420 -10.740 -11.429 1.00 0.00 H new ATOM 0 HB2 GLN A 30 28.529 -9.927 -13.501 1.00 0.00 H new ATOM 0 HB3 GLN A 30 26.829 -10.269 -13.755 1.00 0.00 H new ATOM 0 HG2 GLN A 30 26.309 -7.832 -13.512 1.00 0.00 H new ATOM 0 HG3 GLN A 30 28.013 -7.497 -13.279 1.00 0.00 H new ATOM 0 HE21 GLN A 30 26.882 -6.146 -15.292 1.00 0.00 H new ATOM 0 HE22 GLN A 30 27.322 -6.818 -16.866 1.00 0.00 H new ATOM 504 N HIS A 31 28.134 -7.651 -10.635 1.00 0.00 N ATOM 505 CA HIS A 31 29.112 -6.848 -9.912 1.00 0.00 C ATOM 506 C HIS A 31 29.031 -7.121 -8.412 1.00 0.00 C ATOM 507 O HIS A 31 30.024 -6.991 -7.698 1.00 0.00 O ATOM 508 CB HIS A 31 28.868 -5.371 -10.211 1.00 0.00 C ATOM 509 CG HIS A 31 28.977 -5.042 -11.677 1.00 0.00 C ATOM 510 ND1 HIS A 31 27.954 -4.503 -12.465 1.00 0.00 N ATOM 511 CD2 HIS A 31 30.088 -5.224 -12.448 1.00 0.00 C ATOM 512 CE1 HIS A 31 28.483 -4.371 -13.692 1.00 0.00 C ATOM 513 NE2 HIS A 31 29.758 -4.798 -13.714 1.00 0.00 N ATOM 0 H HIS A 31 27.256 -7.171 -10.836 1.00 0.00 H new ATOM 0 HA HIS A 31 30.115 -7.118 -10.242 1.00 0.00 H new ATOM 0 HB2 HIS A 31 27.876 -5.093 -9.854 1.00 0.00 H new ATOM 0 HB3 HIS A 31 29.587 -4.770 -9.655 1.00 0.00 H new ATOM 0 HD2 HIS A 31 31.039 -5.624 -12.128 1.00 0.00 H new ATOM 0 HE1 HIS A 31 27.955 -3.975 -14.547 1.00 0.00 H new ATOM 0 HE2 HIS A 31 30.373 -4.805 -14.528 1.00 0.00 H new ATOM 521 N LYS A 32 27.844 -7.507 -7.937 1.00 0.00 N ATOM 522 CA LYS A 32 27.606 -7.826 -6.540 1.00 0.00 C ATOM 523 C LYS A 32 28.257 -9.152 -6.175 1.00 0.00 C ATOM 524 O LYS A 32 28.919 -9.262 -5.144 1.00 0.00 O ATOM 525 CB LYS A 32 26.088 -7.872 -6.342 1.00 0.00 C ATOM 526 CG LYS A 32 25.684 -8.652 -5.094 1.00 0.00 C ATOM 527 CD LYS A 32 25.212 -10.062 -5.470 1.00 0.00 C ATOM 528 CE LYS A 32 25.119 -10.956 -4.233 1.00 0.00 C ATOM 529 NZ LYS A 32 24.691 -12.321 -4.594 1.00 0.00 N ATOM 0 H LYS A 32 27.016 -7.606 -8.524 1.00 0.00 H new ATOM 0 HA LYS A 32 28.047 -7.074 -5.886 1.00 0.00 H new ATOM 0 HB2 LYS A 32 25.703 -6.855 -6.271 1.00 0.00 H new ATOM 0 HB3 LYS A 32 25.624 -8.328 -7.217 1.00 0.00 H new ATOM 0 HG2 LYS A 32 26.529 -8.716 -4.409 1.00 0.00 H new ATOM 0 HG3 LYS A 32 24.888 -8.123 -4.570 1.00 0.00 H new ATOM 0 HD2 LYS A 32 24.238 -10.006 -5.957 1.00 0.00 H new ATOM 0 HD3 LYS A 32 25.903 -10.501 -6.189 1.00 0.00 H new ATOM 0 HE2 LYS A 32 26.088 -10.995 -3.735 1.00 0.00 H new ATOM 0 HE3 LYS A 32 24.413 -10.526 -3.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 24.424 -12.840 -3.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 23.874 -12.270 -5.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 25.473 -12.816 -5.068 1.00 0.00 H new ATOM 543 N VAL A 33 28.071 -10.160 -7.026 1.00 0.00 N ATOM 544 CA VAL A 33 28.573 -11.493 -6.751 1.00 0.00 C ATOM 545 C VAL A 33 30.085 -11.558 -6.915 1.00 0.00 C ATOM 546 O VAL A 33 30.741 -12.327 -6.218 1.00 0.00 O ATOM 547 CB VAL A 33 27.850 -12.500 -7.645 1.00 0.00 C ATOM 548 CG1 VAL A 33 28.217 -12.309 -9.109 1.00 0.00 C ATOM 549 CG2 VAL A 33 28.186 -13.929 -7.236 1.00 0.00 C ATOM 0 H VAL A 33 27.574 -10.072 -7.912 1.00 0.00 H new ATOM 0 HA VAL A 33 28.368 -11.749 -5.712 1.00 0.00 H new ATOM 0 HB VAL A 33 26.781 -12.325 -7.520 1.00 0.00 H new ATOM 0 HG11 VAL A 33 27.685 -13.042 -9.716 1.00 0.00 H new ATOM 0 HG12 VAL A 33 27.938 -11.304 -9.426 1.00 0.00 H new ATOM 0 HG13 VAL A 33 29.291 -12.444 -9.235 1.00 0.00 H new ATOM 0 HG21 VAL A 33 27.660 -14.627 -7.887 1.00 0.00 H new ATOM 0 HG22 VAL A 33 29.260 -14.090 -7.325 1.00 0.00 H new ATOM 0 HG23 VAL A 33 27.879 -14.094 -6.203 1.00 0.00 H new ATOM 559 N ALA A 34 30.651 -10.761 -7.823 1.00 0.00 N ATOM 560 CA ALA A 34 32.092 -10.744 -8.007 1.00 0.00 C ATOM 561 C ALA A 34 32.777 -10.145 -6.780 1.00 0.00 C ATOM 562 O ALA A 34 33.926 -10.474 -6.496 1.00 0.00 O ATOM 563 CB ALA A 34 32.415 -9.946 -9.268 1.00 0.00 C ATOM 0 H ALA A 34 30.135 -10.127 -8.434 1.00 0.00 H new ATOM 0 HA ALA A 34 32.466 -11.761 -8.124 1.00 0.00 H new ATOM 0 HB1 ALA A 34 33.494 -9.925 -9.419 1.00 0.00 H new ATOM 0 HB2 ALA A 34 31.938 -10.416 -10.128 1.00 0.00 H new ATOM 0 HB3 ALA A 34 32.044 -8.927 -9.159 1.00 0.00 H new ATOM 569 N SER A 35 32.075 -9.269 -6.055 1.00 0.00 N ATOM 570 CA SER A 35 32.578 -8.678 -4.823 1.00 0.00 C ATOM 571 C SER A 35 32.383 -9.629 -3.644 1.00 0.00 C ATOM 572 O SER A 35 33.061 -9.491 -2.629 1.00 0.00 O ATOM 573 CB SER A 35 31.880 -7.345 -4.564 1.00 0.00 C ATOM 574 OG SER A 35 32.207 -6.427 -5.587 1.00 0.00 O ATOM 0 H SER A 35 31.140 -8.952 -6.311 1.00 0.00 H new ATOM 0 HA SER A 35 33.648 -8.499 -4.933 1.00 0.00 H new ATOM 0 HB2 SER A 35 30.801 -7.491 -4.525 1.00 0.00 H new ATOM 0 HB3 SER A 35 32.183 -6.947 -3.595 1.00 0.00 H new ATOM 0 HG SER A 35 31.569 -6.519 -6.325 1.00 0.00 H new ATOM 580 N LEU A 36 31.459 -10.587 -3.770 1.00 0.00 N ATOM 581 CA LEU A 36 31.199 -11.563 -2.723 1.00 0.00 C ATOM 582 C LEU A 36 32.148 -12.755 -2.828 1.00 0.00 C ATOM 583 O LEU A 36 32.641 -13.224 -1.805 1.00 0.00 O ATOM 584 CB LEU A 36 29.739 -12.018 -2.828 1.00 0.00 C ATOM 585 CG LEU A 36 29.398 -13.154 -1.859 1.00 0.00 C ATOM 586 CD1 LEU A 36 29.527 -12.730 -0.398 1.00 0.00 C ATOM 587 CD2 LEU A 36 27.952 -13.574 -2.099 1.00 0.00 C ATOM 0 H LEU A 36 30.876 -10.702 -4.599 1.00 0.00 H new ATOM 0 HA LEU A 36 31.372 -11.102 -1.751 1.00 0.00 H new ATOM 0 HB2 LEU A 36 29.084 -11.169 -2.630 1.00 0.00 H new ATOM 0 HB3 LEU A 36 29.538 -12.345 -3.848 1.00 0.00 H new ATOM 0 HG LEU A 36 30.100 -13.968 -2.042 1.00 0.00 H new ATOM 0 HD11 LEU A 36 29.275 -13.571 0.248 1.00 0.00 H new ATOM 0 HD12 LEU A 36 30.551 -12.415 -0.200 1.00 0.00 H new ATOM 0 HD13 LEU A 36 28.847 -11.902 -0.198 1.00 0.00 H new ATOM 0 HD21 LEU A 36 27.690 -14.383 -1.417 1.00 0.00 H new ATOM 0 HD22 LEU A 36 27.292 -12.724 -1.924 1.00 0.00 H new ATOM 0 HD23 LEU A 36 27.838 -13.915 -3.128 1.00 0.00 H new ATOM 599 N VAL A 37 32.416 -13.254 -4.041 1.00 0.00 N ATOM 600 CA VAL A 37 33.275 -14.424 -4.181 1.00 0.00 C ATOM 601 C VAL A 37 34.747 -14.042 -4.105 1.00 0.00 C ATOM 602 O VAL A 37 35.580 -14.883 -3.775 1.00 0.00 O ATOM 603 CB VAL A 37 32.974 -15.206 -5.463 1.00 0.00 C ATOM 604 CG1 VAL A 37 31.489 -15.559 -5.554 1.00 0.00 C ATOM 605 CG2 VAL A 37 33.403 -14.450 -6.715 1.00 0.00 C ATOM 0 H VAL A 37 32.058 -12.873 -4.917 1.00 0.00 H new ATOM 0 HA VAL A 37 33.055 -15.083 -3.341 1.00 0.00 H new ATOM 0 HB VAL A 37 33.558 -16.125 -5.411 1.00 0.00 H new ATOM 0 HG11 VAL A 37 31.303 -16.114 -6.474 1.00 0.00 H new ATOM 0 HG12 VAL A 37 31.207 -16.171 -4.697 1.00 0.00 H new ATOM 0 HG13 VAL A 37 30.897 -14.644 -5.556 1.00 0.00 H new ATOM 0 HG21 VAL A 37 33.169 -15.045 -7.598 1.00 0.00 H new ATOM 0 HG22 VAL A 37 32.871 -13.500 -6.766 1.00 0.00 H new ATOM 0 HG23 VAL A 37 34.476 -14.263 -6.678 1.00 0.00 H new ATOM 615 N SER A 38 35.088 -12.783 -4.402 1.00 0.00 N ATOM 616 CA SER A 38 36.462 -12.312 -4.308 1.00 0.00 C ATOM 617 C SER A 38 36.971 -12.386 -2.869 1.00 0.00 C ATOM 618 O SER A 38 38.174 -12.306 -2.632 1.00 0.00 O ATOM 619 CB SER A 38 36.555 -10.890 -4.848 1.00 0.00 C ATOM 620 OG SER A 38 35.793 -10.020 -4.037 1.00 0.00 O ATOM 0 H SER A 38 34.423 -12.074 -4.710 1.00 0.00 H new ATOM 0 HA SER A 38 37.097 -12.960 -4.912 1.00 0.00 H new ATOM 0 HB2 SER A 38 37.596 -10.566 -4.868 1.00 0.00 H new ATOM 0 HB3 SER A 38 36.191 -10.857 -5.875 1.00 0.00 H new ATOM 0 HG SER A 38 35.857 -9.107 -4.387 1.00 0.00 H new ATOM 626 N ARG A 39 36.055 -12.535 -1.905 1.00 0.00 N ATOM 627 CA ARG A 39 36.398 -12.671 -0.498 1.00 0.00 C ATOM 628 C ARG A 39 36.903 -14.080 -0.183 1.00 0.00 C ATOM 629 O ARG A 39 37.413 -14.313 0.911 1.00 0.00 O ATOM 630 CB ARG A 39 35.165 -12.361 0.358 1.00 0.00 C ATOM 631 CG ARG A 39 34.562 -10.996 0.015 1.00 0.00 C ATOM 632 CD ARG A 39 33.330 -10.717 0.873 1.00 0.00 C ATOM 633 NE ARG A 39 33.676 -10.637 2.296 1.00 0.00 N ATOM 634 CZ ARG A 39 34.172 -9.547 2.891 1.00 0.00 C ATOM 635 NH1 ARG A 39 34.387 -8.431 2.202 1.00 0.00 N ATOM 636 NH2 ARG A 39 34.459 -9.574 4.188 1.00 0.00 N ATOM 0 H ARG A 39 35.052 -12.564 -2.087 1.00 0.00 H new ATOM 0 HA ARG A 39 37.198 -11.967 -0.270 1.00 0.00 H new ATOM 0 HB2 ARG A 39 34.415 -13.137 0.209 1.00 0.00 H new ATOM 0 HB3 ARG A 39 35.440 -12.382 1.412 1.00 0.00 H new ATOM 0 HG2 ARG A 39 35.305 -10.215 0.173 1.00 0.00 H new ATOM 0 HG3 ARG A 39 34.290 -10.968 -1.040 1.00 0.00 H new ATOM 0 HD2 ARG A 39 32.868 -9.782 0.556 1.00 0.00 H new ATOM 0 HD3 ARG A 39 32.592 -11.505 0.720 1.00 0.00 H new ATOM 0 HE ARG A 39 33.529 -11.467 2.870 1.00 0.00 H new ATOM 0 HH11 ARG A 39 34.173 -8.398 1.205 1.00 0.00 H new ATOM 0 HH12 ARG A 39 34.766 -7.608 2.670 1.00 0.00 H new ATOM 0 HH21 ARG A 39 34.301 -10.425 4.728 1.00 0.00 H new ATOM 0 HH22 ARG A 39 34.837 -8.744 4.644 1.00 0.00 H new ATOM 650 N TYR A 40 36.764 -15.015 -1.131 1.00 0.00 N ATOM 651 CA TYR A 40 37.147 -16.404 -0.921 1.00 0.00 C ATOM 652 C TYR A 40 38.100 -16.919 -2.001 1.00 0.00 C ATOM 653 O TYR A 40 38.783 -17.915 -1.780 1.00 0.00 O ATOM 654 CB TYR A 40 35.878 -17.257 -0.831 1.00 0.00 C ATOM 655 CG TYR A 40 34.850 -16.699 0.130 1.00 0.00 C ATOM 656 CD1 TYR A 40 35.052 -16.820 1.515 1.00 0.00 C ATOM 657 CD2 TYR A 40 33.703 -16.052 -0.358 1.00 0.00 C ATOM 658 CE1 TYR A 40 34.117 -16.286 2.410 1.00 0.00 C ATOM 659 CE2 TYR A 40 32.763 -15.515 0.533 1.00 0.00 C ATOM 660 CZ TYR A 40 32.969 -15.630 1.925 1.00 0.00 C ATOM 661 OH TYR A 40 32.062 -15.110 2.799 1.00 0.00 O ATOM 0 H TYR A 40 36.384 -14.825 -2.058 1.00 0.00 H new ATOM 0 HA TYR A 40 37.701 -16.475 0.015 1.00 0.00 H new ATOM 0 HB2 TYR A 40 35.432 -17.339 -1.822 1.00 0.00 H new ATOM 0 HB3 TYR A 40 36.148 -18.266 -0.519 1.00 0.00 H new ATOM 0 HD1 TYR A 40 35.930 -17.326 1.890 1.00 0.00 H new ATOM 0 HD2 TYR A 40 33.545 -15.968 -1.423 1.00 0.00 H new ATOM 0 HE1 TYR A 40 34.276 -16.377 3.474 1.00 0.00 H new ATOM 0 HE2 TYR A 40 31.884 -15.015 0.155 1.00 0.00 H new ATOM 0 HH TYR A 40 31.330 -14.691 2.300 1.00 0.00 H new ATOM 671 N VAL A 41 38.161 -16.260 -3.165 1.00 0.00 N ATOM 672 CA VAL A 41 39.091 -16.628 -4.228 1.00 0.00 C ATOM 673 C VAL A 41 39.832 -15.398 -4.739 1.00 0.00 C ATOM 674 O VAL A 41 39.313 -14.284 -4.652 1.00 0.00 O ATOM 675 CB VAL A 41 38.377 -17.326 -5.395 1.00 0.00 C ATOM 676 CG1 VAL A 41 38.032 -18.767 -5.038 1.00 0.00 C ATOM 677 CG2 VAL A 41 37.101 -16.606 -5.835 1.00 0.00 C ATOM 0 H VAL A 41 37.568 -15.461 -3.391 1.00 0.00 H new ATOM 0 HA VAL A 41 39.807 -17.331 -3.802 1.00 0.00 H new ATOM 0 HB VAL A 41 39.079 -17.302 -6.228 1.00 0.00 H new ATOM 0 HG11 VAL A 41 37.527 -19.240 -5.880 1.00 0.00 H new ATOM 0 HG12 VAL A 41 38.947 -19.314 -4.810 1.00 0.00 H new ATOM 0 HG13 VAL A 41 37.375 -18.779 -4.168 1.00 0.00 H new ATOM 0 HG21 VAL A 41 36.644 -17.149 -6.662 1.00 0.00 H new ATOM 0 HG22 VAL A 41 36.402 -16.561 -5.000 1.00 0.00 H new ATOM 0 HG23 VAL A 41 37.347 -15.594 -6.157 1.00 0.00 H new ATOM 687 N PRO A 42 41.047 -15.582 -5.277 1.00 0.00 N ATOM 688 CA PRO A 42 41.837 -14.510 -5.854 1.00 0.00 C ATOM 689 C PRO A 42 41.189 -14.028 -7.148 1.00 0.00 C ATOM 690 O PRO A 42 40.372 -14.734 -7.739 1.00 0.00 O ATOM 691 CB PRO A 42 43.219 -15.113 -6.103 1.00 0.00 C ATOM 692 CG PRO A 42 42.904 -16.590 -6.348 1.00 0.00 C ATOM 693 CD PRO A 42 41.751 -16.850 -5.381 1.00 0.00 C ATOM 0 HA PRO A 42 41.906 -13.640 -5.201 1.00 0.00 H new ATOM 0 HB2 PRO A 42 43.711 -14.656 -6.962 1.00 0.00 H new ATOM 0 HB3 PRO A 42 43.880 -14.977 -5.247 1.00 0.00 H new ATOM 0 HG2 PRO A 42 42.615 -16.777 -7.382 1.00 0.00 H new ATOM 0 HG3 PRO A 42 43.762 -17.228 -6.136 1.00 0.00 H new ATOM 0 HD2 PRO A 42 41.094 -17.636 -5.754 1.00 0.00 H new ATOM 0 HD3 PRO A 42 42.119 -17.177 -4.408 1.00 0.00 H new ATOM 701 N SER A 43 41.550 -12.824 -7.595 1.00 0.00 N ATOM 702 CA SER A 43 40.937 -12.191 -8.759 1.00 0.00 C ATOM 703 C SER A 43 41.112 -13.016 -10.032 1.00 0.00 C ATOM 704 O SER A 43 40.391 -12.804 -11.006 1.00 0.00 O ATOM 705 CB SER A 43 41.553 -10.807 -8.949 1.00 0.00 C ATOM 706 OG SER A 43 42.947 -10.923 -9.156 1.00 0.00 O ATOM 0 H SER A 43 42.278 -12.260 -7.157 1.00 0.00 H new ATOM 0 HA SER A 43 39.865 -12.114 -8.575 1.00 0.00 H new ATOM 0 HB2 SER A 43 41.091 -10.308 -9.801 1.00 0.00 H new ATOM 0 HB3 SER A 43 41.357 -10.189 -8.073 1.00 0.00 H new ATOM 0 HG SER A 43 43.335 -10.031 -9.279 1.00 0.00 H new ATOM 712 N GLY A 44 42.063 -13.953 -10.033 1.00 0.00 N ATOM 713 CA GLY A 44 42.302 -14.823 -11.177 1.00 0.00 C ATOM 714 C GLY A 44 41.241 -15.918 -11.306 1.00 0.00 C ATOM 715 O GLY A 44 41.148 -16.545 -12.361 1.00 0.00 O ATOM 0 H GLY A 44 42.684 -14.126 -9.243 1.00 0.00 H new ATOM 0 HA2 GLY A 44 42.317 -14.225 -12.088 1.00 0.00 H new ATOM 0 HA3 GLY A 44 43.286 -15.283 -11.082 1.00 0.00 H new ATOM 719 N ASP A 45 40.448 -16.157 -10.256 1.00 0.00 N ATOM 720 CA ASP A 45 39.418 -17.189 -10.268 1.00 0.00 C ATOM 721 C ASP A 45 38.016 -16.616 -10.070 1.00 0.00 C ATOM 722 O ASP A 45 37.035 -17.351 -10.163 1.00 0.00 O ATOM 723 CB ASP A 45 39.740 -18.240 -9.202 1.00 0.00 C ATOM 724 CG ASP A 45 41.062 -18.950 -9.476 1.00 0.00 C ATOM 725 OD1 ASP A 45 41.281 -19.356 -10.641 1.00 0.00 O ATOM 726 OD2 ASP A 45 41.853 -19.087 -8.513 1.00 0.00 O ATOM 0 H ASP A 45 40.506 -15.640 -9.379 1.00 0.00 H new ATOM 0 HA ASP A 45 39.419 -17.657 -11.252 1.00 0.00 H new ATOM 0 HB2 ASP A 45 39.782 -17.762 -8.223 1.00 0.00 H new ATOM 0 HB3 ASP A 45 38.936 -18.975 -9.164 1.00 0.00 H new ATOM 731 N VAL A 46 37.898 -15.312 -9.796 1.00 0.00 N ATOM 732 CA VAL A 46 36.601 -14.679 -9.586 1.00 0.00 C ATOM 733 C VAL A 46 35.666 -14.856 -10.787 1.00 0.00 C ATOM 734 O VAL A 46 34.526 -15.264 -10.584 1.00 0.00 O ATOM 735 CB VAL A 46 36.786 -13.193 -9.252 1.00 0.00 C ATOM 736 CG1 VAL A 46 35.453 -12.444 -9.250 1.00 0.00 C ATOM 737 CG2 VAL A 46 37.393 -13.048 -7.858 1.00 0.00 C ATOM 0 H VAL A 46 38.692 -14.676 -9.715 1.00 0.00 H new ATOM 0 HA VAL A 46 36.126 -15.177 -8.741 1.00 0.00 H new ATOM 0 HB VAL A 46 37.439 -12.772 -10.016 1.00 0.00 H new ATOM 0 HG11 VAL A 46 35.625 -11.395 -9.009 1.00 0.00 H new ATOM 0 HG12 VAL A 46 34.992 -12.519 -10.235 1.00 0.00 H new ATOM 0 HG13 VAL A 46 34.790 -12.883 -8.504 1.00 0.00 H new ATOM 0 HG21 VAL A 46 37.522 -11.991 -7.626 1.00 0.00 H new ATOM 0 HG22 VAL A 46 36.729 -13.502 -7.123 1.00 0.00 H new ATOM 0 HG23 VAL A 46 38.362 -13.547 -7.829 1.00 0.00 H new ATOM 747 N PRO A 47 36.081 -14.571 -12.032 1.00 0.00 N ATOM 748 CA PRO A 47 35.172 -14.627 -13.167 1.00 0.00 C ATOM 749 C PRO A 47 34.727 -16.055 -13.474 1.00 0.00 C ATOM 750 O PRO A 47 33.684 -16.247 -14.097 1.00 0.00 O ATOM 751 CB PRO A 47 35.947 -14.017 -14.334 1.00 0.00 C ATOM 752 CG PRO A 47 37.401 -14.311 -13.975 1.00 0.00 C ATOM 753 CD PRO A 47 37.406 -14.162 -12.458 1.00 0.00 C ATOM 0 HA PRO A 47 34.250 -14.081 -12.964 1.00 0.00 H new ATOM 0 HB2 PRO A 47 35.667 -14.470 -15.285 1.00 0.00 H new ATOM 0 HB3 PRO A 47 35.763 -12.947 -14.425 1.00 0.00 H new ATOM 0 HG2 PRO A 47 37.700 -15.312 -14.285 1.00 0.00 H new ATOM 0 HG3 PRO A 47 38.086 -13.611 -14.453 1.00 0.00 H new ATOM 0 HD2 PRO A 47 38.176 -14.786 -12.003 1.00 0.00 H new ATOM 0 HD3 PRO A 47 37.614 -13.133 -12.164 1.00 0.00 H new ATOM 761 N ASP A 48 35.494 -17.060 -13.046 1.00 0.00 N ATOM 762 CA ASP A 48 35.128 -18.451 -13.272 1.00 0.00 C ATOM 763 C ASP A 48 34.190 -18.951 -12.177 1.00 0.00 C ATOM 764 O ASP A 48 33.340 -19.805 -12.432 1.00 0.00 O ATOM 765 CB ASP A 48 36.392 -19.310 -13.336 1.00 0.00 C ATOM 766 CG ASP A 48 37.269 -18.922 -14.522 1.00 0.00 C ATOM 767 OD1 ASP A 48 36.928 -19.344 -15.650 1.00 0.00 O ATOM 768 OD2 ASP A 48 38.269 -18.207 -14.295 1.00 0.00 O ATOM 0 H ASP A 48 36.371 -16.932 -12.542 1.00 0.00 H new ATOM 0 HA ASP A 48 34.599 -18.527 -14.222 1.00 0.00 H new ATOM 0 HB2 ASP A 48 36.958 -19.197 -12.411 1.00 0.00 H new ATOM 0 HB3 ASP A 48 36.116 -20.361 -13.414 1.00 0.00 H new ATOM 773 N VAL A 49 34.336 -18.422 -10.959 1.00 0.00 N ATOM 774 CA VAL A 49 33.492 -18.799 -9.834 1.00 0.00 C ATOM 775 C VAL A 49 32.167 -18.041 -9.898 1.00 0.00 C ATOM 776 O VAL A 49 31.144 -18.541 -9.429 1.00 0.00 O ATOM 777 CB VAL A 49 34.250 -18.531 -8.528 1.00 0.00 C ATOM 778 CG1 VAL A 49 33.350 -18.702 -7.306 1.00 0.00 C ATOM 779 CG2 VAL A 49 35.412 -19.517 -8.392 1.00 0.00 C ATOM 0 H VAL A 49 35.042 -17.722 -10.731 1.00 0.00 H new ATOM 0 HA VAL A 49 33.256 -19.862 -9.876 1.00 0.00 H new ATOM 0 HB VAL A 49 34.608 -17.502 -8.569 1.00 0.00 H new ATOM 0 HG11 VAL A 49 33.924 -18.504 -6.401 1.00 0.00 H new ATOM 0 HG12 VAL A 49 32.516 -18.003 -7.368 1.00 0.00 H new ATOM 0 HG13 VAL A 49 32.967 -19.722 -7.276 1.00 0.00 H new ATOM 0 HG21 VAL A 49 35.947 -19.322 -7.463 1.00 0.00 H new ATOM 0 HG22 VAL A 49 35.025 -20.536 -8.382 1.00 0.00 H new ATOM 0 HG23 VAL A 49 36.092 -19.396 -9.235 1.00 0.00 H new ATOM 789 N VAL A 50 32.171 -16.837 -10.480 1.00 0.00 N ATOM 790 CA VAL A 50 30.949 -16.067 -10.666 1.00 0.00 C ATOM 791 C VAL A 50 30.103 -16.700 -11.763 1.00 0.00 C ATOM 792 O VAL A 50 28.879 -16.741 -11.654 1.00 0.00 O ATOM 793 CB VAL A 50 31.296 -14.624 -11.043 1.00 0.00 C ATOM 794 CG1 VAL A 50 30.066 -13.902 -11.589 1.00 0.00 C ATOM 795 CG2 VAL A 50 31.814 -13.864 -9.821 1.00 0.00 C ATOM 0 H VAL A 50 33.013 -16.379 -10.829 1.00 0.00 H new ATOM 0 HA VAL A 50 30.382 -16.065 -9.735 1.00 0.00 H new ATOM 0 HB VAL A 50 32.070 -14.654 -11.810 1.00 0.00 H new ATOM 0 HG11 VAL A 50 30.332 -12.878 -11.852 1.00 0.00 H new ATOM 0 HG12 VAL A 50 29.703 -14.421 -12.476 1.00 0.00 H new ATOM 0 HG13 VAL A 50 29.284 -13.891 -10.830 1.00 0.00 H new ATOM 0 HG21 VAL A 50 32.056 -12.840 -10.105 1.00 0.00 H new ATOM 0 HG22 VAL A 50 31.047 -13.854 -9.047 1.00 0.00 H new ATOM 0 HG23 VAL A 50 32.709 -14.356 -9.439 1.00 0.00 H new ATOM 805 N GLN A 51 30.745 -17.196 -12.821 1.00 0.00 N ATOM 806 CA GLN A 51 30.017 -17.762 -13.941 1.00 0.00 C ATOM 807 C GLN A 51 29.430 -19.118 -13.564 1.00 0.00 C ATOM 808 O GLN A 51 28.419 -19.535 -14.126 1.00 0.00 O ATOM 809 CB GLN A 51 30.960 -17.863 -15.142 1.00 0.00 C ATOM 810 CG GLN A 51 30.186 -18.042 -16.449 1.00 0.00 C ATOM 811 CD GLN A 51 29.264 -16.859 -16.716 1.00 0.00 C ATOM 812 OE1 GLN A 51 28.050 -17.014 -16.823 1.00 0.00 O ATOM 813 NE2 GLN A 51 29.827 -15.658 -16.821 1.00 0.00 N ATOM 0 H GLN A 51 31.760 -17.214 -12.920 1.00 0.00 H new ATOM 0 HA GLN A 51 29.180 -17.117 -14.209 1.00 0.00 H new ATOM 0 HB2 GLN A 51 31.573 -16.964 -15.201 1.00 0.00 H new ATOM 0 HB3 GLN A 51 31.640 -18.704 -15.002 1.00 0.00 H new ATOM 0 HG2 GLN A 51 30.887 -18.153 -17.276 1.00 0.00 H new ATOM 0 HG3 GLN A 51 29.599 -18.959 -16.403 1.00 0.00 H new ATOM 0 HE21 GLN A 51 30.838 -15.559 -16.728 1.00 0.00 H new ATOM 0 HE22 GLN A 51 29.248 -14.837 -16.995 1.00 0.00 H new ATOM 822 N GLU A 52 30.052 -19.818 -12.612 1.00 0.00 N ATOM 823 CA GLU A 52 29.523 -21.082 -12.132 1.00 0.00 C ATOM 824 C GLU A 52 28.405 -20.842 -11.120 1.00 0.00 C ATOM 825 O GLU A 52 27.548 -21.703 -10.928 1.00 0.00 O ATOM 826 CB GLU A 52 30.672 -21.897 -11.539 1.00 0.00 C ATOM 827 CG GLU A 52 30.214 -23.310 -11.176 1.00 0.00 C ATOM 828 CD GLU A 52 31.404 -24.175 -10.768 1.00 0.00 C ATOM 829 OE1 GLU A 52 31.784 -24.115 -9.577 1.00 0.00 O ATOM 830 OE2 GLU A 52 31.927 -24.893 -11.650 1.00 0.00 O ATOM 0 H GLU A 52 30.920 -19.526 -12.164 1.00 0.00 H new ATOM 0 HA GLU A 52 29.084 -21.647 -12.955 1.00 0.00 H new ATOM 0 HB2 GLU A 52 31.492 -21.950 -12.255 1.00 0.00 H new ATOM 0 HB3 GLU A 52 31.056 -21.396 -10.650 1.00 0.00 H new ATOM 0 HG2 GLU A 52 29.493 -23.266 -10.359 1.00 0.00 H new ATOM 0 HG3 GLU A 52 29.704 -23.762 -12.027 1.00 0.00 H new ATOM 837 N ALA A 53 28.399 -19.673 -10.472 1.00 0.00 N ATOM 838 CA ALA A 53 27.394 -19.351 -9.473 1.00 0.00 C ATOM 839 C ALA A 53 26.048 -19.026 -10.120 1.00 0.00 C ATOM 840 O ALA A 53 25.006 -19.333 -9.547 1.00 0.00 O ATOM 841 CB ALA A 53 27.898 -18.180 -8.628 1.00 0.00 C ATOM 0 H ALA A 53 29.086 -18.935 -10.628 1.00 0.00 H new ATOM 0 HA ALA A 53 27.233 -20.218 -8.833 1.00 0.00 H new ATOM 0 HB1 ALA A 53 27.152 -17.928 -7.874 1.00 0.00 H new ATOM 0 HB2 ALA A 53 28.830 -18.460 -8.137 1.00 0.00 H new ATOM 0 HB3 ALA A 53 28.071 -17.316 -9.270 1.00 0.00 H new ATOM 847 N PHE A 54 26.047 -18.414 -11.310 1.00 0.00 N ATOM 848 CA PHE A 54 24.802 -18.105 -12.001 1.00 0.00 C ATOM 849 C PHE A 54 24.291 -19.316 -12.780 1.00 0.00 C ATOM 850 O PHE A 54 23.084 -19.508 -12.876 1.00 0.00 O ATOM 851 CB PHE A 54 24.996 -16.913 -12.939 1.00 0.00 C ATOM 852 CG PHE A 54 25.068 -15.567 -12.248 1.00 0.00 C ATOM 853 CD1 PHE A 54 23.983 -15.107 -11.485 1.00 0.00 C ATOM 854 CD2 PHE A 54 26.212 -14.773 -12.381 1.00 0.00 C ATOM 855 CE1 PHE A 54 24.044 -13.855 -10.858 1.00 0.00 C ATOM 856 CE2 PHE A 54 26.269 -13.515 -11.767 1.00 0.00 C ATOM 857 CZ PHE A 54 25.188 -13.058 -11.001 1.00 0.00 C ATOM 0 H PHE A 54 26.890 -18.127 -11.807 1.00 0.00 H new ATOM 0 HA PHE A 54 24.055 -17.845 -11.251 1.00 0.00 H new ATOM 0 HB2 PHE A 54 25.913 -17.063 -13.509 1.00 0.00 H new ATOM 0 HB3 PHE A 54 24.175 -16.895 -13.655 1.00 0.00 H new ATOM 0 HD1 PHE A 54 23.099 -15.719 -11.381 1.00 0.00 H new ATOM 0 HD2 PHE A 54 27.052 -15.130 -12.958 1.00 0.00 H new ATOM 0 HE1 PHE A 54 23.211 -13.505 -10.266 1.00 0.00 H new ATOM 0 HE2 PHE A 54 27.147 -12.897 -11.884 1.00 0.00 H new ATOM 0 HZ PHE A 54 25.236 -12.092 -10.521 1.00 0.00 H new ATOM 867 N ILE A 55 25.182 -20.139 -13.338 1.00 0.00 N ATOM 868 CA ILE A 55 24.740 -21.314 -14.077 1.00 0.00 C ATOM 869 C ILE A 55 24.203 -22.364 -13.106 1.00 0.00 C ATOM 870 O ILE A 55 23.328 -23.148 -13.475 1.00 0.00 O ATOM 871 CB ILE A 55 25.898 -21.836 -14.942 1.00 0.00 C ATOM 872 CG1 ILE A 55 25.884 -21.172 -16.328 1.00 0.00 C ATOM 873 CG2 ILE A 55 25.793 -23.349 -15.157 1.00 0.00 C ATOM 874 CD1 ILE A 55 25.842 -19.644 -16.279 1.00 0.00 C ATOM 0 H ILE A 55 26.193 -20.014 -13.292 1.00 0.00 H new ATOM 0 HA ILE A 55 23.922 -21.058 -14.750 1.00 0.00 H new ATOM 0 HB ILE A 55 26.819 -21.597 -14.411 1.00 0.00 H new ATOM 0 HG12 ILE A 55 26.771 -21.484 -16.879 1.00 0.00 H new ATOM 0 HG13 ILE A 55 25.019 -21.532 -16.885 1.00 0.00 H new ATOM 0 HG21 ILE A 55 26.626 -23.688 -15.773 1.00 0.00 H new ATOM 0 HG22 ILE A 55 25.824 -23.857 -14.193 1.00 0.00 H new ATOM 0 HG23 ILE A 55 24.854 -23.581 -15.659 1.00 0.00 H new ATOM 0 HD11 ILE A 55 25.834 -19.247 -17.294 1.00 0.00 H new ATOM 0 HD12 ILE A 55 24.941 -19.321 -15.757 1.00 0.00 H new ATOM 0 HD13 ILE A 55 26.720 -19.273 -15.751 1.00 0.00 H new ATOM 886 N LYS A 56 24.706 -22.394 -11.866 1.00 0.00 N ATOM 887 CA LYS A 56 24.178 -23.296 -10.854 1.00 0.00 C ATOM 888 C LYS A 56 22.829 -22.789 -10.355 1.00 0.00 C ATOM 889 O LYS A 56 21.962 -23.581 -9.991 1.00 0.00 O ATOM 890 CB LYS A 56 25.190 -23.403 -9.715 1.00 0.00 C ATOM 891 CG LYS A 56 24.754 -24.404 -8.644 1.00 0.00 C ATOM 892 CD LYS A 56 24.579 -25.814 -9.212 1.00 0.00 C ATOM 893 CE LYS A 56 24.212 -26.800 -8.099 1.00 0.00 C ATOM 894 NZ LYS A 56 25.264 -26.877 -7.069 1.00 0.00 N ATOM 0 H LYS A 56 25.475 -21.804 -11.547 1.00 0.00 H new ATOM 0 HA LYS A 56 24.020 -24.288 -11.278 1.00 0.00 H new ATOM 0 HB2 LYS A 56 26.157 -23.704 -10.118 1.00 0.00 H new ATOM 0 HB3 LYS A 56 25.326 -22.422 -9.259 1.00 0.00 H new ATOM 0 HG2 LYS A 56 25.495 -24.425 -7.845 1.00 0.00 H new ATOM 0 HG3 LYS A 56 23.815 -24.073 -8.200 1.00 0.00 H new ATOM 0 HD2 LYS A 56 23.800 -25.811 -9.974 1.00 0.00 H new ATOM 0 HD3 LYS A 56 25.500 -26.133 -9.699 1.00 0.00 H new ATOM 0 HE2 LYS A 56 23.273 -26.495 -7.638 1.00 0.00 H new ATOM 0 HE3 LYS A 56 24.050 -27.789 -8.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 25.140 -27.746 -6.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 26.198 -26.890 -7.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 25.197 -26.050 -6.442 1.00 0.00 H new ATOM 908 N ALA A 57 22.645 -21.467 -10.344 1.00 0.00 N ATOM 909 CA ALA A 57 21.374 -20.885 -9.960 1.00 0.00 C ATOM 910 C ALA A 57 20.348 -21.077 -11.077 1.00 0.00 C ATOM 911 O ALA A 57 19.166 -21.236 -10.799 1.00 0.00 O ATOM 912 CB ALA A 57 21.573 -19.401 -9.663 1.00 0.00 C ATOM 0 H ALA A 57 23.363 -20.788 -10.597 1.00 0.00 H new ATOM 0 HA ALA A 57 20.999 -21.382 -9.065 1.00 0.00 H new ATOM 0 HB1 ALA A 57 20.621 -18.957 -9.373 1.00 0.00 H new ATOM 0 HB2 ALA A 57 22.289 -19.286 -8.850 1.00 0.00 H new ATOM 0 HB3 ALA A 57 21.951 -18.899 -10.554 1.00 0.00 H new ATOM 918 N TYR A 58 20.787 -21.066 -12.338 1.00 0.00 N ATOM 919 CA TYR A 58 19.884 -21.199 -13.468 1.00 0.00 C ATOM 920 C TYR A 58 19.188 -22.557 -13.473 1.00 0.00 C ATOM 921 O TYR A 58 18.015 -22.654 -13.834 1.00 0.00 O ATOM 922 CB TYR A 58 20.688 -21.025 -14.755 1.00 0.00 C ATOM 923 CG TYR A 58 19.861 -21.188 -16.006 1.00 0.00 C ATOM 924 CD1 TYR A 58 19.000 -20.160 -16.419 1.00 0.00 C ATOM 925 CD2 TYR A 58 19.954 -22.372 -16.752 1.00 0.00 C ATOM 926 CE1 TYR A 58 18.227 -20.313 -17.578 1.00 0.00 C ATOM 927 CE2 TYR A 58 19.188 -22.529 -17.918 1.00 0.00 C ATOM 928 CZ TYR A 58 18.319 -21.499 -18.332 1.00 0.00 C ATOM 929 OH TYR A 58 17.572 -21.652 -19.462 1.00 0.00 O ATOM 0 H TYR A 58 21.769 -20.965 -12.596 1.00 0.00 H new ATOM 0 HA TYR A 58 19.111 -20.434 -13.392 1.00 0.00 H new ATOM 0 HB2 TYR A 58 21.146 -20.036 -14.758 1.00 0.00 H new ATOM 0 HB3 TYR A 58 21.500 -21.752 -14.768 1.00 0.00 H new ATOM 0 HD1 TYR A 58 18.933 -19.249 -15.843 1.00 0.00 H new ATOM 0 HD2 TYR A 58 20.615 -23.163 -16.429 1.00 0.00 H new ATOM 0 HE1 TYR A 58 17.562 -19.523 -17.893 1.00 0.00 H new ATOM 0 HE2 TYR A 58 19.264 -23.437 -18.497 1.00 0.00 H new ATOM 0 HH TYR A 58 17.758 -22.528 -19.861 1.00 0.00 H new ATOM 939 N ARG A 59 19.909 -23.607 -13.070 1.00 0.00 N ATOM 940 CA ARG A 59 19.372 -24.963 -13.042 1.00 0.00 C ATOM 941 C ARG A 59 18.720 -25.311 -11.703 1.00 0.00 C ATOM 942 O ARG A 59 18.078 -26.352 -11.593 1.00 0.00 O ATOM 943 CB ARG A 59 20.470 -25.957 -13.416 1.00 0.00 C ATOM 944 CG ARG A 59 21.623 -25.929 -12.411 1.00 0.00 C ATOM 945 CD ARG A 59 22.772 -26.801 -12.911 1.00 0.00 C ATOM 946 NE ARG A 59 22.377 -28.213 -13.006 1.00 0.00 N ATOM 947 CZ ARG A 59 23.094 -29.144 -13.644 1.00 0.00 C ATOM 948 NH1 ARG A 59 24.245 -28.836 -14.234 1.00 0.00 N ATOM 949 NH2 ARG A 59 22.654 -30.399 -13.694 1.00 0.00 N ATOM 0 H ARG A 59 20.877 -23.538 -12.756 1.00 0.00 H new ATOM 0 HA ARG A 59 18.573 -25.025 -13.781 1.00 0.00 H new ATOM 0 HB2 ARG A 59 20.051 -26.962 -13.462 1.00 0.00 H new ATOM 0 HB3 ARG A 59 20.849 -25.724 -14.411 1.00 0.00 H new ATOM 0 HG2 ARG A 59 21.968 -24.905 -12.269 1.00 0.00 H new ATOM 0 HG3 ARG A 59 21.279 -26.287 -11.441 1.00 0.00 H new ATOM 0 HD2 ARG A 59 23.099 -26.447 -13.889 1.00 0.00 H new ATOM 0 HD3 ARG A 59 23.623 -26.705 -12.236 1.00 0.00 H new ATOM 0 HE ARG A 59 21.506 -28.500 -12.560 1.00 0.00 H new ATOM 0 HH11 ARG A 59 24.593 -27.878 -14.204 1.00 0.00 H new ATOM 0 HH12 ARG A 59 24.780 -29.558 -14.717 1.00 0.00 H new ATOM 0 HH21 ARG A 59 21.772 -30.648 -13.246 1.00 0.00 H new ATOM 0 HH22 ARG A 59 23.199 -31.111 -14.180 1.00 0.00 H new ATOM 963 N ALA A 60 18.879 -24.454 -10.688 1.00 0.00 N ATOM 964 CA ALA A 60 18.252 -24.670 -9.391 1.00 0.00 C ATOM 965 C ALA A 60 17.116 -23.679 -9.123 1.00 0.00 C ATOM 966 O ALA A 60 16.394 -23.822 -8.139 1.00 0.00 O ATOM 967 CB ALA A 60 19.325 -24.586 -8.307 1.00 0.00 C ATOM 0 H ALA A 60 19.439 -23.604 -10.746 1.00 0.00 H new ATOM 0 HA ALA A 60 17.797 -25.660 -9.384 1.00 0.00 H new ATOM 0 HB1 ALA A 60 18.869 -24.746 -7.330 1.00 0.00 H new ATOM 0 HB2 ALA A 60 20.081 -25.351 -8.484 1.00 0.00 H new ATOM 0 HB3 ALA A 60 19.792 -23.601 -8.332 1.00 0.00 H new ATOM 973 N LEU A 61 16.949 -22.672 -9.990 1.00 0.00 N ATOM 974 CA LEU A 61 15.917 -21.655 -9.838 1.00 0.00 C ATOM 975 C LEU A 61 14.541 -22.228 -10.174 1.00 0.00 C ATOM 976 O LEU A 61 13.522 -21.675 -9.766 1.00 0.00 O ATOM 977 CB LEU A 61 16.320 -20.454 -10.706 1.00 0.00 C ATOM 978 CG LEU A 61 15.297 -19.315 -10.764 1.00 0.00 C ATOM 979 CD1 LEU A 61 16.055 -18.018 -11.028 1.00 0.00 C ATOM 980 CD2 LEU A 61 14.308 -19.514 -11.914 1.00 0.00 C ATOM 0 H LEU A 61 17.531 -22.545 -10.818 1.00 0.00 H new ATOM 0 HA LEU A 61 15.835 -21.317 -8.805 1.00 0.00 H new ATOM 0 HB2 LEU A 61 17.262 -20.055 -10.330 1.00 0.00 H new ATOM 0 HB3 LEU A 61 16.505 -20.806 -11.721 1.00 0.00 H new ATOM 0 HG LEU A 61 14.747 -19.290 -9.823 1.00 0.00 H new ATOM 0 HD11 LEU A 61 15.350 -17.188 -11.075 1.00 0.00 H new ATOM 0 HD12 LEU A 61 16.769 -17.843 -10.223 1.00 0.00 H new ATOM 0 HD13 LEU A 61 16.588 -18.095 -11.975 1.00 0.00 H new ATOM 0 HD21 LEU A 61 13.595 -18.689 -11.928 1.00 0.00 H new ATOM 0 HD22 LEU A 61 14.850 -19.541 -12.859 1.00 0.00 H new ATOM 0 HD23 LEU A 61 13.773 -20.453 -11.775 1.00 0.00 H new ATOM 992 N ASP A 62 14.503 -23.341 -10.911 1.00 0.00 N ATOM 993 CA ASP A 62 13.261 -24.044 -11.196 1.00 0.00 C ATOM 994 C ASP A 62 12.757 -24.767 -9.939 1.00 0.00 C ATOM 995 O ASP A 62 11.645 -25.291 -9.925 1.00 0.00 O ATOM 996 CB ASP A 62 13.495 -25.016 -12.350 1.00 0.00 C ATOM 997 CG ASP A 62 12.201 -25.686 -12.802 1.00 0.00 C ATOM 998 OD1 ASP A 62 11.275 -24.947 -13.206 1.00 0.00 O ATOM 999 OD2 ASP A 62 12.143 -26.934 -12.742 1.00 0.00 O ATOM 0 H ASP A 62 15.330 -23.774 -11.322 1.00 0.00 H new ATOM 0 HA ASP A 62 12.489 -23.333 -11.491 1.00 0.00 H new ATOM 0 HB2 ASP A 62 13.940 -24.482 -13.190 1.00 0.00 H new ATOM 0 HB3 ASP A 62 14.210 -25.779 -12.043 1.00 0.00 H new ATOM 1004 N SER A 63 13.585 -24.794 -8.886 1.00 0.00 N ATOM 1005 CA SER A 63 13.252 -25.406 -7.607 1.00 0.00 C ATOM 1006 C SER A 63 13.171 -24.357 -6.499 1.00 0.00 C ATOM 1007 O SER A 63 13.070 -24.701 -5.323 1.00 0.00 O ATOM 1008 CB SER A 63 14.279 -26.486 -7.274 1.00 0.00 C ATOM 1009 OG SER A 63 14.308 -27.456 -8.300 1.00 0.00 O ATOM 0 H SER A 63 14.518 -24.383 -8.906 1.00 0.00 H new ATOM 0 HA SER A 63 12.268 -25.869 -7.682 1.00 0.00 H new ATOM 0 HB2 SER A 63 15.266 -26.038 -7.158 1.00 0.00 H new ATOM 0 HB3 SER A 63 14.029 -26.957 -6.323 1.00 0.00 H new ATOM 0 HG SER A 63 14.970 -28.145 -8.081 1.00 0.00 H new ATOM 1015 N PHE A 64 13.216 -23.070 -6.861 1.00 0.00 N ATOM 1016 CA PHE A 64 13.114 -21.984 -5.901 1.00 0.00 C ATOM 1017 C PHE A 64 11.701 -21.965 -5.315 1.00 0.00 C ATOM 1018 O PHE A 64 10.719 -21.985 -6.059 1.00 0.00 O ATOM 1019 CB PHE A 64 13.465 -20.674 -6.599 1.00 0.00 C ATOM 1020 CG PHE A 64 13.399 -19.455 -5.704 1.00 0.00 C ATOM 1021 CD1 PHE A 64 14.233 -19.360 -4.581 1.00 0.00 C ATOM 1022 CD2 PHE A 64 12.508 -18.416 -6.004 1.00 0.00 C ATOM 1023 CE1 PHE A 64 14.178 -18.228 -3.759 1.00 0.00 C ATOM 1024 CE2 PHE A 64 12.451 -17.281 -5.181 1.00 0.00 C ATOM 1025 CZ PHE A 64 13.287 -17.189 -4.060 1.00 0.00 C ATOM 0 H PHE A 64 13.324 -22.761 -7.827 1.00 0.00 H new ATOM 0 HA PHE A 64 13.813 -22.123 -5.076 1.00 0.00 H new ATOM 0 HB2 PHE A 64 14.471 -20.754 -7.011 1.00 0.00 H new ATOM 0 HB3 PHE A 64 12.786 -20.530 -7.440 1.00 0.00 H new ATOM 0 HD1 PHE A 64 14.919 -20.161 -4.350 1.00 0.00 H new ATOM 0 HD2 PHE A 64 11.865 -18.489 -6.869 1.00 0.00 H new ATOM 0 HE1 PHE A 64 14.821 -18.156 -2.894 1.00 0.00 H new ATOM 0 HE2 PHE A 64 11.764 -16.480 -5.411 1.00 0.00 H new ATOM 0 HZ PHE A 64 13.245 -16.315 -3.427 1.00 0.00 H new ATOM 1035 N ARG A 65 11.596 -21.924 -3.984 1.00 0.00 N ATOM 1036 CA ARG A 65 10.314 -22.015 -3.290 1.00 0.00 C ATOM 1037 C ARG A 65 9.783 -20.652 -2.861 1.00 0.00 C ATOM 1038 O ARG A 65 8.604 -20.541 -2.521 1.00 0.00 O ATOM 1039 CB ARG A 65 10.457 -22.939 -2.080 1.00 0.00 C ATOM 1040 CG ARG A 65 10.931 -24.331 -2.502 1.00 0.00 C ATOM 1041 CD ARG A 65 10.978 -25.270 -1.294 1.00 0.00 C ATOM 1042 NE ARG A 65 11.869 -24.761 -0.247 1.00 0.00 N ATOM 1043 CZ ARG A 65 13.103 -25.208 -0.008 1.00 0.00 C ATOM 1044 NH1 ARG A 65 13.639 -26.184 -0.734 1.00 0.00 N ATOM 1045 NH2 ARG A 65 13.811 -24.667 0.978 1.00 0.00 N ATOM 0 H ARG A 65 12.397 -21.827 -3.360 1.00 0.00 H new ATOM 0 HA ARG A 65 9.586 -22.427 -3.989 1.00 0.00 H new ATOM 0 HB2 ARG A 65 11.166 -22.509 -1.372 1.00 0.00 H new ATOM 0 HB3 ARG A 65 9.500 -23.018 -1.564 1.00 0.00 H new ATOM 0 HG2 ARG A 65 10.260 -24.736 -3.259 1.00 0.00 H new ATOM 0 HG3 ARG A 65 11.920 -24.263 -2.956 1.00 0.00 H new ATOM 0 HD2 ARG A 65 9.973 -25.393 -0.889 1.00 0.00 H new ATOM 0 HD3 ARG A 65 11.316 -26.256 -1.612 1.00 0.00 H new ATOM 0 HE ARG A 65 11.519 -24.007 0.344 1.00 0.00 H new ATOM 0 HH11 ARG A 65 13.105 -26.608 -1.493 1.00 0.00 H new ATOM 0 HH12 ARG A 65 14.585 -26.509 -0.533 1.00 0.00 H new ATOM 0 HH21 ARG A 65 13.410 -23.918 1.543 1.00 0.00 H new ATOM 0 HH22 ARG A 65 14.756 -25.001 1.170 1.00 0.00 H new ATOM 1059 N GLY A 66 10.625 -19.618 -2.875 1.00 0.00 N ATOM 1060 CA GLY A 66 10.192 -18.280 -2.500 1.00 0.00 C ATOM 1061 C GLY A 66 10.051 -18.137 -0.987 1.00 0.00 C ATOM 1062 O GLY A 66 9.345 -17.249 -0.513 1.00 0.00 O ATOM 0 H GLY A 66 11.607 -19.685 -3.142 1.00 0.00 H new ATOM 0 HA2 GLY A 66 10.910 -17.548 -2.870 1.00 0.00 H new ATOM 0 HA3 GLY A 66 9.237 -18.059 -2.977 1.00 0.00 H new ATOM 1066 N ASP A 67 10.717 -19.011 -0.225 1.00 0.00 N ATOM 1067 CA ASP A 67 10.691 -18.983 1.232 1.00 0.00 C ATOM 1068 C ASP A 67 11.405 -17.739 1.770 1.00 0.00 C ATOM 1069 O ASP A 67 11.322 -17.439 2.961 1.00 0.00 O ATOM 1070 CB ASP A 67 11.362 -20.256 1.753 1.00 0.00 C ATOM 1071 CG ASP A 67 10.492 -21.497 1.565 1.00 0.00 C ATOM 1072 OD1 ASP A 67 9.253 -21.375 1.693 1.00 0.00 O ATOM 1073 OD2 ASP A 67 11.082 -22.566 1.293 1.00 0.00 O ATOM 0 H ASP A 67 11.292 -19.761 -0.609 1.00 0.00 H new ATOM 0 HA ASP A 67 9.658 -18.939 1.577 1.00 0.00 H new ATOM 0 HB2 ASP A 67 12.311 -20.400 1.236 1.00 0.00 H new ATOM 0 HB3 ASP A 67 11.591 -20.134 2.812 1.00 0.00 H new ATOM 1078 N SER A 68 12.102 -17.014 0.891 1.00 0.00 N ATOM 1079 CA SER A 68 12.805 -15.787 1.214 1.00 0.00 C ATOM 1080 C SER A 68 12.978 -14.968 -0.059 1.00 0.00 C ATOM 1081 O SER A 68 12.669 -15.442 -1.153 1.00 0.00 O ATOM 1082 CB SER A 68 14.160 -16.140 1.821 1.00 0.00 C ATOM 1083 OG SER A 68 14.903 -14.974 2.096 1.00 0.00 O ATOM 0 H SER A 68 12.190 -17.279 -0.090 1.00 0.00 H new ATOM 0 HA SER A 68 12.240 -15.197 1.936 1.00 0.00 H new ATOM 0 HB2 SER A 68 14.015 -16.710 2.739 1.00 0.00 H new ATOM 0 HB3 SER A 68 14.716 -16.778 1.134 1.00 0.00 H new ATOM 0 HG SER A 68 15.100 -14.930 3.055 1.00 0.00 H new ATOM 1089 N ALA A 69 13.476 -13.736 0.070 1.00 0.00 N ATOM 1090 CA ALA A 69 13.757 -12.884 -1.072 1.00 0.00 C ATOM 1091 C ALA A 69 14.773 -13.565 -1.987 1.00 0.00 C ATOM 1092 O ALA A 69 15.584 -14.375 -1.534 1.00 0.00 O ATOM 1093 CB ALA A 69 14.264 -11.526 -0.588 1.00 0.00 C ATOM 0 H ALA A 69 13.693 -13.308 0.970 1.00 0.00 H new ATOM 0 HA ALA A 69 12.844 -12.721 -1.645 1.00 0.00 H new ATOM 0 HB1 ALA A 69 14.474 -10.889 -1.447 1.00 0.00 H new ATOM 0 HB2 ALA A 69 13.504 -11.055 0.036 1.00 0.00 H new ATOM 0 HB3 ALA A 69 15.176 -11.664 -0.007 1.00 0.00 H new ATOM 1099 N PHE A 70 14.741 -13.247 -3.283 1.00 0.00 N ATOM 1100 CA PHE A 70 15.595 -13.932 -4.243 1.00 0.00 C ATOM 1101 C PHE A 70 17.075 -13.670 -3.979 1.00 0.00 C ATOM 1102 O PHE A 70 17.904 -14.537 -4.244 1.00 0.00 O ATOM 1103 CB PHE A 70 15.216 -13.494 -5.657 1.00 0.00 C ATOM 1104 CG PHE A 70 16.110 -14.110 -6.705 1.00 0.00 C ATOM 1105 CD1 PHE A 70 16.049 -15.488 -6.954 1.00 0.00 C ATOM 1106 CD2 PHE A 70 17.013 -13.306 -7.417 1.00 0.00 C ATOM 1107 CE1 PHE A 70 16.900 -16.067 -7.907 1.00 0.00 C ATOM 1108 CE2 PHE A 70 17.868 -13.888 -8.364 1.00 0.00 C ATOM 1109 CZ PHE A 70 17.809 -15.267 -8.608 1.00 0.00 C ATOM 0 H PHE A 70 14.139 -12.528 -3.684 1.00 0.00 H new ATOM 0 HA PHE A 70 15.439 -15.005 -4.135 1.00 0.00 H new ATOM 0 HB2 PHE A 70 14.181 -13.772 -5.856 1.00 0.00 H new ATOM 0 HB3 PHE A 70 15.273 -12.408 -5.726 1.00 0.00 H new ATOM 0 HD1 PHE A 70 15.347 -16.104 -6.412 1.00 0.00 H new ATOM 0 HD2 PHE A 70 17.049 -12.242 -7.236 1.00 0.00 H new ATOM 0 HE1 PHE A 70 16.854 -17.129 -8.099 1.00 0.00 H new ATOM 0 HE2 PHE A 70 18.572 -13.274 -8.905 1.00 0.00 H new ATOM 0 HZ PHE A 70 18.467 -15.713 -9.339 1.00 0.00 H new ATOM 1119 N TYR A 71 17.427 -12.489 -3.460 1.00 0.00 N ATOM 1120 CA TYR A 71 18.820 -12.164 -3.205 1.00 0.00 C ATOM 1121 C TYR A 71 19.362 -12.988 -2.046 1.00 0.00 C ATOM 1122 O TYR A 71 20.553 -13.289 -2.008 1.00 0.00 O ATOM 1123 CB TYR A 71 18.934 -10.677 -2.886 1.00 0.00 C ATOM 1124 CG TYR A 71 20.360 -10.207 -2.709 1.00 0.00 C ATOM 1125 CD1 TYR A 71 21.081 -9.768 -3.825 1.00 0.00 C ATOM 1126 CD2 TYR A 71 20.959 -10.211 -1.440 1.00 0.00 C ATOM 1127 CE1 TYR A 71 22.388 -9.284 -3.675 1.00 0.00 C ATOM 1128 CE2 TYR A 71 22.261 -9.719 -1.279 1.00 0.00 C ATOM 1129 CZ TYR A 71 22.969 -9.230 -2.390 1.00 0.00 C ATOM 1130 OH TYR A 71 24.216 -8.712 -2.209 1.00 0.00 O ATOM 0 H TYR A 71 16.767 -11.752 -3.212 1.00 0.00 H new ATOM 0 HA TYR A 71 19.409 -12.398 -4.092 1.00 0.00 H new ATOM 0 HB2 TYR A 71 18.468 -10.104 -3.688 1.00 0.00 H new ATOM 0 HB3 TYR A 71 18.374 -10.465 -1.975 1.00 0.00 H new ATOM 0 HD1 TYR A 71 20.629 -9.802 -4.805 1.00 0.00 H new ATOM 0 HD2 TYR A 71 20.417 -10.593 -0.588 1.00 0.00 H new ATOM 0 HE1 TYR A 71 22.947 -8.954 -4.538 1.00 0.00 H new ATOM 0 HE2 TYR A 71 22.720 -9.716 -0.302 1.00 0.00 H new ATOM 0 HH TYR A 71 24.453 -8.755 -1.259 1.00 0.00 H new ATOM 1140 N THR A 72 18.497 -13.359 -1.099 1.00 0.00 N ATOM 1141 CA THR A 72 18.911 -14.148 0.050 1.00 0.00 C ATOM 1142 C THR A 72 19.354 -15.529 -0.418 1.00 0.00 C ATOM 1143 O THR A 72 20.275 -16.117 0.142 1.00 0.00 O ATOM 1144 CB THR A 72 17.734 -14.281 1.022 1.00 0.00 C ATOM 1145 OG1 THR A 72 17.169 -13.015 1.276 1.00 0.00 O ATOM 1146 CG2 THR A 72 18.181 -14.889 2.350 1.00 0.00 C ATOM 0 H THR A 72 17.505 -13.122 -1.111 1.00 0.00 H new ATOM 0 HA THR A 72 19.743 -13.657 0.555 1.00 0.00 H new ATOM 0 HB THR A 72 16.997 -14.937 0.558 1.00 0.00 H new ATOM 0 HG1 THR A 72 16.271 -13.127 1.652 1.00 0.00 H new ATOM 0 HG21 THR A 72 17.325 -14.971 3.019 1.00 0.00 H new ATOM 0 HG22 THR A 72 18.600 -15.880 2.174 1.00 0.00 H new ATOM 0 HG23 THR A 72 18.938 -14.251 2.806 1.00 0.00 H new ATOM 1154 N TRP A 73 18.690 -16.041 -1.458 1.00 0.00 N ATOM 1155 CA TRP A 73 18.989 -17.345 -2.023 1.00 0.00 C ATOM 1156 C TRP A 73 20.171 -17.260 -2.988 1.00 0.00 C ATOM 1157 O TRP A 73 20.940 -18.211 -3.106 1.00 0.00 O ATOM 1158 CB TRP A 73 17.727 -17.843 -2.721 1.00 0.00 C ATOM 1159 CG TRP A 73 17.816 -19.191 -3.353 1.00 0.00 C ATOM 1160 CD1 TRP A 73 17.748 -20.371 -2.698 1.00 0.00 C ATOM 1161 CD2 TRP A 73 17.988 -19.525 -4.764 1.00 0.00 C ATOM 1162 NE1 TRP A 73 17.840 -21.409 -3.603 1.00 0.00 N ATOM 1163 CE2 TRP A 73 17.983 -20.942 -4.895 1.00 0.00 C ATOM 1164 CE3 TRP A 73 18.141 -18.776 -5.945 1.00 0.00 C ATOM 1165 CZ2 TRP A 73 18.114 -21.582 -6.135 1.00 0.00 C ATOM 1166 CZ3 TRP A 73 18.284 -19.407 -7.190 1.00 0.00 C ATOM 1167 CH2 TRP A 73 18.265 -20.804 -7.288 1.00 0.00 C ATOM 0 H TRP A 73 17.927 -15.554 -1.929 1.00 0.00 H new ATOM 0 HA TRP A 73 19.279 -18.046 -1.241 1.00 0.00 H new ATOM 0 HB2 TRP A 73 16.916 -17.858 -1.993 1.00 0.00 H new ATOM 0 HB3 TRP A 73 17.452 -17.121 -3.490 1.00 0.00 H new ATOM 0 HD1 TRP A 73 17.638 -20.485 -1.630 1.00 0.00 H new ATOM 0 HE1 TRP A 73 17.807 -22.396 -3.350 1.00 0.00 H new ATOM 0 HE3 TRP A 73 18.149 -17.697 -5.892 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 18.099 -22.660 -6.200 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 18.410 -18.810 -8.081 1.00 0.00 H new ATOM 0 HH2 TRP A 73 18.367 -21.280 -8.252 1.00 0.00 H new ATOM 1178 N LEU A 74 20.321 -16.127 -3.678 1.00 0.00 N ATOM 1179 CA LEU A 74 21.424 -15.927 -4.609 1.00 0.00 C ATOM 1180 C LEU A 74 22.731 -15.792 -3.826 1.00 0.00 C ATOM 1181 O LEU A 74 23.788 -16.223 -4.282 1.00 0.00 O ATOM 1182 CB LEU A 74 21.145 -14.655 -5.420 1.00 0.00 C ATOM 1183 CG LEU A 74 21.665 -14.712 -6.863 1.00 0.00 C ATOM 1184 CD1 LEU A 74 21.524 -13.326 -7.492 1.00 0.00 C ATOM 1185 CD2 LEU A 74 23.130 -15.134 -6.964 1.00 0.00 C ATOM 0 H LEU A 74 19.686 -15.332 -3.606 1.00 0.00 H new ATOM 0 HA LEU A 74 21.516 -16.776 -5.286 1.00 0.00 H new ATOM 0 HB2 LEU A 74 20.070 -14.476 -5.438 1.00 0.00 H new ATOM 0 HB3 LEU A 74 21.601 -13.805 -4.913 1.00 0.00 H new ATOM 0 HG LEU A 74 21.071 -15.463 -7.383 1.00 0.00 H new ATOM 0 HD11 LEU A 74 21.890 -13.353 -8.518 1.00 0.00 H new ATOM 0 HD12 LEU A 74 20.475 -13.030 -7.489 1.00 0.00 H new ATOM 0 HD13 LEU A 74 22.106 -12.605 -6.918 1.00 0.00 H new ATOM 0 HD21 LEU A 74 23.432 -15.153 -8.011 1.00 0.00 H new ATOM 0 HD22 LEU A 74 23.752 -14.423 -6.420 1.00 0.00 H new ATOM 0 HD23 LEU A 74 23.253 -16.127 -6.533 1.00 0.00 H new ATOM 1197 N TYR A 75 22.659 -15.189 -2.636 1.00 0.00 N ATOM 1198 CA TYR A 75 23.822 -14.983 -1.794 1.00 0.00 C ATOM 1199 C TYR A 75 24.359 -16.324 -1.301 1.00 0.00 C ATOM 1200 O TYR A 75 25.571 -16.518 -1.266 1.00 0.00 O ATOM 1201 CB TYR A 75 23.418 -14.070 -0.633 1.00 0.00 C ATOM 1202 CG TYR A 75 24.559 -13.542 0.209 1.00 0.00 C ATOM 1203 CD1 TYR A 75 25.351 -14.418 0.967 1.00 0.00 C ATOM 1204 CD2 TYR A 75 24.812 -12.163 0.238 1.00 0.00 C ATOM 1205 CE1 TYR A 75 26.404 -13.918 1.746 1.00 0.00 C ATOM 1206 CE2 TYR A 75 25.852 -11.655 1.028 1.00 0.00 C ATOM 1207 CZ TYR A 75 26.655 -12.530 1.786 1.00 0.00 C ATOM 1208 OH TYR A 75 27.669 -12.038 2.556 1.00 0.00 O ATOM 0 H TYR A 75 21.790 -14.833 -2.237 1.00 0.00 H new ATOM 0 HA TYR A 75 24.624 -14.506 -2.357 1.00 0.00 H new ATOM 0 HB2 TYR A 75 22.865 -13.222 -1.036 1.00 0.00 H new ATOM 0 HB3 TYR A 75 22.734 -14.617 0.016 1.00 0.00 H new ATOM 0 HD1 TYR A 75 25.149 -15.479 0.950 1.00 0.00 H new ATOM 0 HD2 TYR A 75 24.204 -11.491 -0.350 1.00 0.00 H new ATOM 0 HE1 TYR A 75 27.023 -14.595 2.316 1.00 0.00 H new ATOM 0 HE2 TYR A 75 26.038 -10.592 1.056 1.00 0.00 H new ATOM 0 HH TYR A 75 27.704 -11.063 2.467 1.00 0.00 H new ATOM 1218 N ARG A 76 23.463 -17.246 -0.925 1.00 0.00 N ATOM 1219 CA ARG A 76 23.858 -18.558 -0.423 1.00 0.00 C ATOM 1220 C ARG A 76 24.566 -19.374 -1.496 1.00 0.00 C ATOM 1221 O ARG A 76 25.525 -20.078 -1.190 1.00 0.00 O ATOM 1222 CB ARG A 76 22.616 -19.330 0.030 1.00 0.00 C ATOM 1223 CG ARG A 76 21.989 -18.762 1.301 1.00 0.00 C ATOM 1224 CD ARG A 76 22.891 -18.983 2.513 1.00 0.00 C ATOM 1225 NE ARG A 76 22.171 -18.659 3.751 1.00 0.00 N ATOM 1226 CZ ARG A 76 22.364 -17.562 4.487 1.00 0.00 C ATOM 1227 NH1 ARG A 76 23.277 -16.655 4.141 1.00 0.00 N ATOM 1228 NH2 ARG A 76 21.637 -17.367 5.581 1.00 0.00 N ATOM 0 H ARG A 76 22.454 -17.101 -0.962 1.00 0.00 H new ATOM 0 HA ARG A 76 24.542 -18.402 0.411 1.00 0.00 H new ATOM 0 HB2 ARG A 76 21.876 -19.318 -0.770 1.00 0.00 H new ATOM 0 HB3 ARG A 76 22.885 -20.373 0.199 1.00 0.00 H new ATOM 0 HG2 ARG A 76 21.804 -17.695 1.172 1.00 0.00 H new ATOM 0 HG3 ARG A 76 21.022 -19.234 1.474 1.00 0.00 H new ATOM 0 HD2 ARG A 76 23.227 -20.020 2.540 1.00 0.00 H new ATOM 0 HD3 ARG A 76 23.782 -18.361 2.429 1.00 0.00 H new ATOM 0 HE ARG A 76 21.468 -19.324 4.074 1.00 0.00 H new ATOM 0 HH11 ARG A 76 23.841 -16.793 3.303 1.00 0.00 H new ATOM 0 HH12 ARG A 76 23.412 -15.822 4.715 1.00 0.00 H new ATOM 0 HH21 ARG A 76 20.935 -18.054 5.856 1.00 0.00 H new ATOM 0 HH22 ARG A 76 21.781 -16.530 6.147 1.00 0.00 H new ATOM 1242 N ILE A 77 24.113 -19.291 -2.751 1.00 0.00 N ATOM 1243 CA ILE A 77 24.715 -20.081 -3.815 1.00 0.00 C ATOM 1244 C ILE A 77 26.110 -19.556 -4.139 1.00 0.00 C ATOM 1245 O ILE A 77 27.006 -20.344 -4.429 1.00 0.00 O ATOM 1246 CB ILE A 77 23.808 -20.063 -5.055 1.00 0.00 C ATOM 1247 CG1 ILE A 77 22.520 -20.836 -4.737 1.00 0.00 C ATOM 1248 CG2 ILE A 77 24.528 -20.705 -6.248 1.00 0.00 C ATOM 1249 CD1 ILE A 77 21.580 -20.921 -5.940 1.00 0.00 C ATOM 0 H ILE A 77 23.342 -18.692 -3.047 1.00 0.00 H new ATOM 0 HA ILE A 77 24.818 -21.114 -3.483 1.00 0.00 H new ATOM 0 HB ILE A 77 23.564 -19.033 -5.316 1.00 0.00 H new ATOM 0 HG12 ILE A 77 22.776 -21.843 -4.407 1.00 0.00 H new ATOM 0 HG13 ILE A 77 22.003 -20.351 -3.909 1.00 0.00 H new ATOM 0 HG21 ILE A 77 23.875 -20.686 -7.120 1.00 0.00 H new ATOM 0 HG22 ILE A 77 25.440 -20.148 -6.465 1.00 0.00 H new ATOM 0 HG23 ILE A 77 24.782 -21.737 -6.007 1.00 0.00 H new ATOM 0 HD11 ILE A 77 20.684 -21.477 -5.663 1.00 0.00 H new ATOM 0 HD12 ILE A 77 21.300 -19.916 -6.255 1.00 0.00 H new ATOM 0 HD13 ILE A 77 22.085 -21.431 -6.761 1.00 0.00 H new ATOM 1261 N ALA A 78 26.305 -18.236 -4.093 1.00 0.00 N ATOM 1262 CA ALA A 78 27.576 -17.649 -4.478 1.00 0.00 C ATOM 1263 C ALA A 78 28.673 -17.918 -3.450 1.00 0.00 C ATOM 1264 O ALA A 78 29.816 -18.168 -3.829 1.00 0.00 O ATOM 1265 CB ALA A 78 27.373 -16.149 -4.661 1.00 0.00 C ATOM 0 H ALA A 78 25.599 -17.563 -3.794 1.00 0.00 H new ATOM 0 HA ALA A 78 27.906 -18.108 -5.410 1.00 0.00 H new ATOM 0 HB1 ALA A 78 28.317 -15.687 -4.951 1.00 0.00 H new ATOM 0 HB2 ALA A 78 26.630 -15.975 -5.439 1.00 0.00 H new ATOM 0 HB3 ALA A 78 27.027 -15.712 -3.724 1.00 0.00 H new ATOM 1271 N VAL A 79 28.351 -17.875 -2.154 1.00 0.00 N ATOM 1272 CA VAL A 79 29.355 -18.105 -1.122 1.00 0.00 C ATOM 1273 C VAL A 79 29.658 -19.592 -0.986 1.00 0.00 C ATOM 1274 O VAL A 79 30.752 -19.965 -0.568 1.00 0.00 O ATOM 1275 CB VAL A 79 28.895 -17.485 0.202 1.00 0.00 C ATOM 1276 CG1 VAL A 79 27.630 -18.151 0.738 1.00 0.00 C ATOM 1277 CG2 VAL A 79 29.989 -17.606 1.263 1.00 0.00 C ATOM 0 H VAL A 79 27.413 -17.685 -1.801 1.00 0.00 H new ATOM 0 HA VAL A 79 30.286 -17.617 -1.411 1.00 0.00 H new ATOM 0 HB VAL A 79 28.682 -16.436 -0.005 1.00 0.00 H new ATOM 0 HG11 VAL A 79 27.341 -17.680 1.677 1.00 0.00 H new ATOM 0 HG12 VAL A 79 26.824 -18.039 0.012 1.00 0.00 H new ATOM 0 HG13 VAL A 79 27.821 -19.211 0.907 1.00 0.00 H new ATOM 0 HG21 VAL A 79 29.643 -17.160 2.195 1.00 0.00 H new ATOM 0 HG22 VAL A 79 30.221 -18.658 1.428 1.00 0.00 H new ATOM 0 HG23 VAL A 79 30.885 -17.086 0.923 1.00 0.00 H new ATOM 1287 N ASN A 80 28.699 -20.451 -1.338 1.00 0.00 N ATOM 1288 CA ASN A 80 28.903 -21.888 -1.270 1.00 0.00 C ATOM 1289 C ASN A 80 29.629 -22.378 -2.525 1.00 0.00 C ATOM 1290 O ASN A 80 30.359 -23.362 -2.471 1.00 0.00 O ATOM 1291 CB ASN A 80 27.543 -22.569 -1.083 1.00 0.00 C ATOM 1292 CG ASN A 80 27.652 -24.019 -0.626 1.00 0.00 C ATOM 1293 OD1 ASN A 80 28.741 -24.569 -0.486 1.00 0.00 O ATOM 1294 ND2 ASN A 80 26.506 -24.651 -0.390 1.00 0.00 N ATOM 0 H ASN A 80 27.777 -20.171 -1.672 1.00 0.00 H new ATOM 0 HA ASN A 80 29.535 -22.144 -0.420 1.00 0.00 H new ATOM 0 HB2 ASN A 80 26.961 -22.008 -0.352 1.00 0.00 H new ATOM 0 HB3 ASN A 80 26.994 -22.532 -2.024 1.00 0.00 H new ATOM 0 HD21 ASN A 80 26.514 -25.623 -0.082 1.00 0.00 H new ATOM 0 HD22 ASN A 80 25.619 -24.163 -0.517 1.00 0.00 H new ATOM 1301 N THR A 81 29.445 -21.698 -3.665 1.00 0.00 N ATOM 1302 CA THR A 81 30.137 -22.070 -4.893 1.00 0.00 C ATOM 1303 C THR A 81 31.619 -21.720 -4.790 1.00 0.00 C ATOM 1304 O THR A 81 32.470 -22.485 -5.241 1.00 0.00 O ATOM 1305 CB THR A 81 29.496 -21.362 -6.088 1.00 0.00 C ATOM 1306 OG1 THR A 81 28.173 -21.824 -6.253 1.00 0.00 O ATOM 1307 CG2 THR A 81 30.259 -21.647 -7.378 1.00 0.00 C ATOM 0 H THR A 81 28.825 -20.893 -3.756 1.00 0.00 H new ATOM 0 HA THR A 81 30.049 -23.147 -5.039 1.00 0.00 H new ATOM 0 HB THR A 81 29.516 -20.290 -5.889 1.00 0.00 H new ATOM 0 HG1 THR A 81 27.563 -21.263 -5.730 1.00 0.00 H new ATOM 0 HG21 THR A 81 29.777 -21.129 -8.208 1.00 0.00 H new ATOM 0 HG22 THR A 81 31.286 -21.296 -7.278 1.00 0.00 H new ATOM 0 HG23 THR A 81 30.259 -22.720 -7.571 1.00 0.00 H new ATOM 1315 N ALA A 82 31.939 -20.564 -4.197 1.00 0.00 N ATOM 1316 CA ALA A 82 33.321 -20.150 -4.034 1.00 0.00 C ATOM 1317 C ALA A 82 34.022 -20.952 -2.936 1.00 0.00 C ATOM 1318 O ALA A 82 35.236 -21.135 -2.991 1.00 0.00 O ATOM 1319 CB ALA A 82 33.338 -18.655 -3.717 1.00 0.00 C ATOM 0 H ALA A 82 31.255 -19.905 -3.825 1.00 0.00 H new ATOM 0 HA ALA A 82 33.869 -20.342 -4.957 1.00 0.00 H new ATOM 0 HB1 ALA A 82 34.368 -18.322 -3.590 1.00 0.00 H new ATOM 0 HB2 ALA A 82 32.877 -18.104 -4.536 1.00 0.00 H new ATOM 0 HB3 ALA A 82 32.782 -18.472 -2.798 1.00 0.00 H new ATOM 1325 N LYS A 83 33.276 -21.438 -1.940 1.00 0.00 N ATOM 1326 CA LYS A 83 33.867 -22.210 -0.854 1.00 0.00 C ATOM 1327 C LYS A 83 34.017 -23.677 -1.252 1.00 0.00 C ATOM 1328 O LYS A 83 34.948 -24.349 -0.806 1.00 0.00 O ATOM 1329 CB LYS A 83 33.014 -22.033 0.404 1.00 0.00 C ATOM 1330 CG LYS A 83 33.746 -22.581 1.627 1.00 0.00 C ATOM 1331 CD LYS A 83 32.912 -22.406 2.893 1.00 0.00 C ATOM 1332 CE LYS A 83 32.649 -20.922 3.173 1.00 0.00 C ATOM 1333 NZ LYS A 83 31.890 -20.739 4.424 1.00 0.00 N ATOM 0 H LYS A 83 32.267 -21.309 -1.867 1.00 0.00 H new ATOM 0 HA LYS A 83 34.871 -21.844 -0.641 1.00 0.00 H new ATOM 0 HB2 LYS A 83 32.787 -20.977 0.551 1.00 0.00 H new ATOM 0 HB3 LYS A 83 32.062 -22.549 0.281 1.00 0.00 H new ATOM 0 HG2 LYS A 83 33.968 -23.638 1.478 1.00 0.00 H new ATOM 0 HG3 LYS A 83 34.701 -22.068 1.743 1.00 0.00 H new ATOM 0 HD2 LYS A 83 31.964 -22.933 2.785 1.00 0.00 H new ATOM 0 HD3 LYS A 83 33.431 -22.854 3.740 1.00 0.00 H new ATOM 0 HE2 LYS A 83 33.597 -20.389 3.239 1.00 0.00 H new ATOM 0 HE3 LYS A 83 32.095 -20.486 2.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 31.728 -19.725 4.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 30.975 -21.229 4.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 32.431 -21.135 5.219 1.00 0.00 H new ATOM 1347 N ASN A 84 33.112 -24.183 -2.095 1.00 0.00 N ATOM 1348 CA ASN A 84 33.213 -25.537 -2.614 1.00 0.00 C ATOM 1349 C ASN A 84 34.368 -25.601 -3.620 1.00 0.00 C ATOM 1350 O ASN A 84 34.927 -26.666 -3.877 1.00 0.00 O ATOM 1351 CB ASN A 84 31.866 -25.927 -3.229 1.00 0.00 C ATOM 1352 CG ASN A 84 31.760 -27.411 -3.563 1.00 0.00 C ATOM 1353 OD1 ASN A 84 32.667 -28.193 -3.298 1.00 0.00 O ATOM 1354 ND2 ASN A 84 30.637 -27.806 -4.154 1.00 0.00 N ATOM 0 H ASN A 84 32.299 -23.666 -2.430 1.00 0.00 H new ATOM 0 HA ASN A 84 33.434 -26.254 -1.823 1.00 0.00 H new ATOM 0 HB2 ASN A 84 31.068 -25.660 -2.536 1.00 0.00 H new ATOM 0 HB3 ASN A 84 31.708 -25.345 -4.137 1.00 0.00 H new ATOM 0 HD21 ASN A 84 30.509 -28.787 -4.402 1.00 0.00 H new ATOM 0 HD22 ASN A 84 29.903 -27.128 -4.360 1.00 0.00 H new ATOM 1361 N TYR A 85 34.736 -24.451 -4.192 1.00 0.00 N ATOM 1362 CA TYR A 85 35.866 -24.361 -5.104 1.00 0.00 C ATOM 1363 C TYR A 85 37.184 -24.458 -4.338 1.00 0.00 C ATOM 1364 O TYR A 85 38.184 -24.923 -4.884 1.00 0.00 O ATOM 1365 CB TYR A 85 35.766 -23.044 -5.875 1.00 0.00 C ATOM 1366 CG TYR A 85 36.948 -22.776 -6.777 1.00 0.00 C ATOM 1367 CD1 TYR A 85 36.956 -23.271 -8.091 1.00 0.00 C ATOM 1368 CD2 TYR A 85 38.033 -22.030 -6.294 1.00 0.00 C ATOM 1369 CE1 TYR A 85 38.063 -23.036 -8.918 1.00 0.00 C ATOM 1370 CE2 TYR A 85 39.141 -21.787 -7.118 1.00 0.00 C ATOM 1371 CZ TYR A 85 39.162 -22.296 -8.435 1.00 0.00 C ATOM 1372 OH TYR A 85 40.239 -22.074 -9.240 1.00 0.00 O ATOM 0 H TYR A 85 34.258 -23.564 -4.033 1.00 0.00 H new ATOM 0 HA TYR A 85 35.843 -25.192 -5.809 1.00 0.00 H new ATOM 0 HB2 TYR A 85 34.857 -23.053 -6.476 1.00 0.00 H new ATOM 0 HB3 TYR A 85 35.670 -22.224 -5.164 1.00 0.00 H new ATOM 0 HD1 TYR A 85 36.111 -23.831 -8.464 1.00 0.00 H new ATOM 0 HD2 TYR A 85 38.015 -21.642 -5.286 1.00 0.00 H new ATOM 0 HE1 TYR A 85 38.074 -23.422 -9.927 1.00 0.00 H new ATOM 0 HE2 TYR A 85 39.976 -21.212 -6.746 1.00 0.00 H new ATOM 0 HH TYR A 85 40.907 -21.547 -8.754 1.00 0.00 H new ATOM 1382 N LEU A 86 37.211 -24.031 -3.070 1.00 0.00 N ATOM 1383 CA LEU A 86 38.434 -24.111 -2.281 1.00 0.00 C ATOM 1384 C LEU A 86 38.732 -25.533 -1.811 1.00 0.00 C ATOM 1385 O LEU A 86 39.886 -25.838 -1.510 1.00 0.00 O ATOM 1386 CB LEU A 86 38.344 -23.170 -1.077 1.00 0.00 C ATOM 1387 CG LEU A 86 38.270 -21.697 -1.488 1.00 0.00 C ATOM 1388 CD1 LEU A 86 38.175 -20.851 -0.218 1.00 0.00 C ATOM 1389 CD2 LEU A 86 39.497 -21.286 -2.296 1.00 0.00 C ATOM 0 H LEU A 86 36.410 -23.633 -2.579 1.00 0.00 H new ATOM 0 HA LEU A 86 39.256 -23.805 -2.928 1.00 0.00 H new ATOM 0 HB2 LEU A 86 37.464 -23.424 -0.487 1.00 0.00 H new ATOM 0 HB3 LEU A 86 39.212 -23.322 -0.436 1.00 0.00 H new ATOM 0 HG LEU A 86 37.394 -21.543 -2.119 1.00 0.00 H new ATOM 0 HD11 LEU A 86 38.121 -19.796 -0.487 1.00 0.00 H new ATOM 0 HD12 LEU A 86 37.280 -21.130 0.339 1.00 0.00 H new ATOM 0 HD13 LEU A 86 39.056 -21.023 0.401 1.00 0.00 H new ATOM 0 HD21 LEU A 86 39.415 -20.235 -2.573 1.00 0.00 H new ATOM 0 HD22 LEU A 86 40.394 -21.434 -1.695 1.00 0.00 H new ATOM 0 HD23 LEU A 86 39.560 -21.895 -3.198 1.00 0.00 H new ATOM 1401 N VAL A 87 37.722 -26.406 -1.747 1.00 0.00 N ATOM 1402 CA VAL A 87 37.950 -27.798 -1.375 1.00 0.00 C ATOM 1403 C VAL A 87 38.122 -28.681 -2.610 1.00 0.00 C ATOM 1404 O VAL A 87 38.598 -29.808 -2.501 1.00 0.00 O ATOM 1405 CB VAL A 87 36.834 -28.317 -0.464 1.00 0.00 C ATOM 1406 CG1 VAL A 87 36.830 -27.537 0.853 1.00 0.00 C ATOM 1407 CG2 VAL A 87 35.463 -28.197 -1.123 1.00 0.00 C ATOM 0 H VAL A 87 36.749 -26.173 -1.947 1.00 0.00 H new ATOM 0 HA VAL A 87 38.881 -27.843 -0.810 1.00 0.00 H new ATOM 0 HB VAL A 87 37.030 -29.372 -0.275 1.00 0.00 H new ATOM 0 HG11 VAL A 87 36.033 -27.912 1.496 1.00 0.00 H new ATOM 0 HG12 VAL A 87 37.790 -27.663 1.354 1.00 0.00 H new ATOM 0 HG13 VAL A 87 36.664 -26.479 0.649 1.00 0.00 H new ATOM 0 HG21 VAL A 87 34.699 -28.576 -0.444 1.00 0.00 H new ATOM 0 HG22 VAL A 87 35.259 -27.151 -1.351 1.00 0.00 H new ATOM 0 HG23 VAL A 87 35.450 -28.779 -2.045 1.00 0.00 H new