USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 520 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 7 THR OG1 : rot -143:sc= 1.28 USER MOD Set 1.2: A 65 TYR OH : rot -130:sc= 1.07 USER MOD Single : A 6 THR OG1 : rot 3:sc= 0.571 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot -50:sc= 2.2 USER MOD Single : A 15 LYS NZ :NH3+ -145:sc= 0.872 (180deg=-0.227) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 THR OG1 : rot -72:sc= 1.11 USER MOD Single : A 20 GLN : amide:sc= -0.109 K(o=-0.11,f=-0.77) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 161:sc= -0.0391 (180deg=-0.299) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HD1:sc= -0.0975 K(o=-0.097,f=-1.4) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 ASN : amide:sc= -0.114 K(o=-0.11,f=-1.8) USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 168:sc= 1.18 (180deg=0.617) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -0.0419 X(o=-0.042,f=-0.22) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc=-0.00193 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ -176:sc= 1.06 (180deg=1.05) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 78 N THR A 6 10.832 -0.944 4.002 1.00 0.00 N ATOM 79 CA THR A 6 10.065 -2.174 4.146 1.00 0.00 C ATOM 80 C THR A 6 9.311 -2.427 2.842 1.00 0.00 C ATOM 81 O THR A 6 9.052 -1.490 2.078 1.00 0.00 O ATOM 82 CB THR A 6 9.081 -2.103 5.328 1.00 0.00 C ATOM 83 OG1 THR A 6 9.166 -0.893 6.068 1.00 0.00 O ATOM 84 CG2 THR A 6 9.241 -3.300 6.268 1.00 0.00 C ATOM 0 HA THR A 6 10.751 -2.995 4.355 1.00 0.00 H new ATOM 0 HB THR A 6 8.090 -2.132 4.875 1.00 0.00 H new ATOM 0 HG1 THR A 6 9.826 -0.300 5.651 1.00 0.00 H new ATOM 0 HG21 THR A 6 8.530 -3.215 7.090 1.00 0.00 H new ATOM 0 HG22 THR A 6 9.052 -4.222 5.718 1.00 0.00 H new ATOM 0 HG23 THR A 6 10.255 -3.317 6.666 1.00 0.00 H new ATOM 92 N THR A 7 8.903 -3.672 2.605 1.00 0.00 N ATOM 93 CA THR A 7 8.142 -3.994 1.413 1.00 0.00 C ATOM 94 C THR A 7 6.797 -3.257 1.402 1.00 0.00 C ATOM 95 O THR A 7 6.355 -2.654 2.389 1.00 0.00 O ATOM 96 CB THR A 7 7.992 -5.516 1.278 1.00 0.00 C ATOM 97 OG1 THR A 7 7.549 -5.876 -0.009 1.00 0.00 O ATOM 98 CG2 THR A 7 7.009 -6.111 2.289 1.00 0.00 C ATOM 0 H THR A 7 9.088 -4.464 3.220 1.00 0.00 H new ATOM 0 HA THR A 7 8.686 -3.645 0.535 1.00 0.00 H new ATOM 0 HB THR A 7 8.987 -5.918 1.470 1.00 0.00 H new ATOM 0 HG1 THR A 7 6.938 -6.639 0.057 1.00 0.00 H new ATOM 0 HG21 THR A 7 6.946 -7.189 2.144 1.00 0.00 H new ATOM 0 HG22 THR A 7 7.356 -5.901 3.301 1.00 0.00 H new ATOM 0 HG23 THR A 7 6.024 -5.667 2.144 1.00 0.00 H new ATOM 106 N TYR A 8 6.121 -3.399 0.269 1.00 0.00 N ATOM 107 CA TYR A 8 4.873 -2.732 -0.074 1.00 0.00 C ATOM 108 C TYR A 8 3.788 -2.916 0.987 1.00 0.00 C ATOM 109 O TYR A 8 3.015 -1.994 1.205 1.00 0.00 O ATOM 110 CB TYR A 8 4.380 -3.231 -1.437 1.00 0.00 C ATOM 111 CG TYR A 8 5.274 -2.883 -2.610 1.00 0.00 C ATOM 112 CD1 TYR A 8 5.747 -1.570 -2.812 1.00 0.00 C ATOM 113 CD2 TYR A 8 5.636 -3.897 -3.509 1.00 0.00 C ATOM 114 CE1 TYR A 8 6.589 -1.283 -3.904 1.00 0.00 C ATOM 115 CE2 TYR A 8 6.485 -3.621 -4.592 1.00 0.00 C ATOM 116 CZ TYR A 8 6.974 -2.313 -4.791 1.00 0.00 C ATOM 117 OH TYR A 8 7.812 -2.045 -5.827 1.00 0.00 O ATOM 0 H TYR A 8 6.447 -4.016 -0.475 1.00 0.00 H new ATOM 0 HA TYR A 8 5.079 -1.663 -0.122 1.00 0.00 H new ATOM 0 HB2 TYR A 8 4.271 -4.315 -1.392 1.00 0.00 H new ATOM 0 HB3 TYR A 8 3.388 -2.818 -1.621 1.00 0.00 H new ATOM 0 HD1 TYR A 8 5.463 -0.783 -2.128 1.00 0.00 H new ATOM 0 HD2 TYR A 8 5.258 -4.899 -3.367 1.00 0.00 H new ATOM 0 HE1 TYR A 8 6.941 -0.274 -4.063 1.00 0.00 H new ATOM 0 HE2 TYR A 8 6.764 -4.411 -5.274 1.00 0.00 H new ATOM 0 HH TYR A 8 7.975 -2.866 -6.337 1.00 0.00 H new ATOM 127 N TYR A 9 3.739 -4.047 1.690 1.00 0.00 N ATOM 128 CA TYR A 9 2.782 -4.232 2.776 1.00 0.00 C ATOM 129 C TYR A 9 2.909 -3.157 3.856 1.00 0.00 C ATOM 130 O TYR A 9 1.907 -2.544 4.224 1.00 0.00 O ATOM 131 CB TYR A 9 2.965 -5.611 3.402 1.00 0.00 C ATOM 132 CG TYR A 9 2.220 -6.715 2.690 1.00 0.00 C ATOM 133 CD1 TYR A 9 0.821 -6.769 2.810 1.00 0.00 C ATOM 134 CD2 TYR A 9 2.911 -7.745 2.025 1.00 0.00 C ATOM 135 CE1 TYR A 9 0.110 -7.864 2.298 1.00 0.00 C ATOM 136 CE2 TYR A 9 2.202 -8.846 1.511 1.00 0.00 C ATOM 137 CZ TYR A 9 0.799 -8.920 1.669 1.00 0.00 C ATOM 138 OH TYR A 9 0.109 -10.012 1.244 1.00 0.00 O ATOM 0 H TYR A 9 4.350 -4.847 1.526 1.00 0.00 H new ATOM 0 HA TYR A 9 1.785 -4.146 2.344 1.00 0.00 H new ATOM 0 HB2 TYR A 9 4.027 -5.854 3.415 1.00 0.00 H new ATOM 0 HB3 TYR A 9 2.633 -5.574 4.440 1.00 0.00 H new ATOM 0 HD1 TYR A 9 0.291 -5.964 3.298 1.00 0.00 H new ATOM 0 HD2 TYR A 9 3.983 -7.690 1.910 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -0.966 -7.898 2.386 1.00 0.00 H new ATOM 0 HE2 TYR A 9 2.730 -9.635 0.996 1.00 0.00 H new ATOM 0 HH TYR A 9 -0.465 -10.339 1.968 1.00 0.00 H new ATOM 148 N ASP A 10 4.122 -2.934 4.378 1.00 0.00 N ATOM 149 CA ASP A 10 4.287 -2.047 5.534 1.00 0.00 C ATOM 150 C ASP A 10 3.969 -0.611 5.187 1.00 0.00 C ATOM 151 O ASP A 10 3.605 0.157 6.075 1.00 0.00 O ATOM 152 CB ASP A 10 5.709 -2.019 6.085 1.00 0.00 C ATOM 153 CG ASP A 10 5.695 -1.622 7.569 1.00 0.00 C ATOM 154 OD1 ASP A 10 5.104 -2.369 8.389 1.00 0.00 O ATOM 155 OD2 ASP A 10 6.236 -0.543 7.917 1.00 0.00 O ATOM 0 H ASP A 10 4.986 -3.346 4.027 1.00 0.00 H new ATOM 0 HA ASP A 10 3.600 -2.457 6.274 1.00 0.00 H new ATOM 0 HB2 ASP A 10 6.172 -2.999 5.967 1.00 0.00 H new ATOM 0 HB3 ASP A 10 6.313 -1.311 5.517 1.00 0.00 H new ATOM 160 N VAL A 11 4.103 -0.252 3.908 1.00 0.00 N ATOM 161 CA VAL A 11 3.767 1.075 3.429 1.00 0.00 C ATOM 162 C VAL A 11 2.336 1.399 3.855 1.00 0.00 C ATOM 163 O VAL A 11 2.068 2.501 4.327 1.00 0.00 O ATOM 164 CB VAL A 11 3.948 1.178 1.894 1.00 0.00 C ATOM 165 CG1 VAL A 11 3.271 2.414 1.277 1.00 0.00 C ATOM 166 CG2 VAL A 11 5.438 1.129 1.522 1.00 0.00 C ATOM 0 H VAL A 11 4.448 -0.879 3.181 1.00 0.00 H new ATOM 0 HA VAL A 11 4.444 1.808 3.868 1.00 0.00 H new ATOM 0 HB VAL A 11 3.441 0.313 1.467 1.00 0.00 H new ATOM 0 HG11 VAL A 11 3.439 2.421 0.200 1.00 0.00 H new ATOM 0 HG12 VAL A 11 2.200 2.380 1.477 1.00 0.00 H new ATOM 0 HG13 VAL A 11 3.694 3.318 1.716 1.00 0.00 H new ATOM 0 HG21 VAL A 11 5.545 1.203 0.440 1.00 0.00 H new ATOM 0 HG22 VAL A 11 5.959 1.961 1.996 1.00 0.00 H new ATOM 0 HG23 VAL A 11 5.868 0.188 1.866 1.00 0.00 H new ATOM 176 N LEU A 12 1.415 0.440 3.733 1.00 0.00 N ATOM 177 CA LEU A 12 0.009 0.636 4.061 1.00 0.00 C ATOM 178 C LEU A 12 -0.282 0.312 5.533 1.00 0.00 C ATOM 179 O LEU A 12 -1.448 0.139 5.899 1.00 0.00 O ATOM 180 CB LEU A 12 -0.868 -0.156 3.077 1.00 0.00 C ATOM 181 CG LEU A 12 -0.721 0.377 1.635 1.00 0.00 C ATOM 182 CD1 LEU A 12 -0.081 -0.655 0.712 1.00 0.00 C ATOM 183 CD2 LEU A 12 -2.064 0.777 1.043 1.00 0.00 C ATOM 0 H LEU A 12 1.630 -0.500 3.401 1.00 0.00 H new ATOM 0 HA LEU A 12 -0.242 1.690 3.946 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.590 -1.210 3.107 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -1.912 -0.092 3.385 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.076 1.253 1.705 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.004 -0.241 -0.293 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.911 -0.911 1.085 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.700 -1.551 0.684 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.919 1.147 0.028 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.725 -0.089 1.022 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -2.512 1.561 1.654 1.00 0.00 H new ATOM 195 N GLY A 13 0.743 0.217 6.388 1.00 0.00 N ATOM 196 CA GLY A 13 0.608 0.038 7.830 1.00 0.00 C ATOM 197 C GLY A 13 -0.046 -1.288 8.210 1.00 0.00 C ATOM 198 O GLY A 13 -0.514 -1.435 9.341 1.00 0.00 O ATOM 0 H GLY A 13 1.715 0.264 6.082 1.00 0.00 H new ATOM 0 HA2 GLY A 13 1.594 0.095 8.291 1.00 0.00 H new ATOM 0 HA3 GLY A 13 0.017 0.858 8.238 1.00 0.00 H new ATOM 202 N VAL A 14 -0.102 -2.231 7.270 1.00 0.00 N ATOM 203 CA VAL A 14 -0.788 -3.498 7.399 1.00 0.00 C ATOM 204 C VAL A 14 0.279 -4.587 7.418 1.00 0.00 C ATOM 205 O VAL A 14 1.315 -4.469 6.753 1.00 0.00 O ATOM 206 CB VAL A 14 -1.852 -3.608 6.286 1.00 0.00 C ATOM 207 CG1 VAL A 14 -1.265 -3.631 4.869 1.00 0.00 C ATOM 208 CG2 VAL A 14 -2.735 -4.844 6.469 1.00 0.00 C ATOM 0 H VAL A 14 0.351 -2.120 6.363 1.00 0.00 H new ATOM 0 HA VAL A 14 -1.351 -3.603 8.326 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.449 -2.701 6.386 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -2.073 -3.710 4.142 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.706 -2.712 4.692 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.599 -4.487 4.765 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -3.472 -4.887 5.667 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -2.116 -5.741 6.442 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -3.248 -4.786 7.429 1.00 0.00 H new ATOM 218 N LYS A 15 0.074 -5.623 8.234 1.00 0.00 N ATOM 219 CA LYS A 15 1.081 -6.653 8.437 1.00 0.00 C ATOM 220 C LYS A 15 1.446 -7.304 7.097 1.00 0.00 C ATOM 221 O LYS A 15 0.566 -7.488 6.255 1.00 0.00 O ATOM 222 CB LYS A 15 0.653 -7.637 9.547 1.00 0.00 C ATOM 223 CG LYS A 15 -0.845 -7.972 9.702 1.00 0.00 C ATOM 224 CD LYS A 15 -1.431 -8.710 8.503 1.00 0.00 C ATOM 225 CE LYS A 15 -2.911 -9.059 8.716 1.00 0.00 C ATOM 226 NZ LYS A 15 -3.254 -10.456 8.362 1.00 0.00 N ATOM 0 H LYS A 15 -0.785 -5.766 8.764 1.00 0.00 H new ATOM 0 HA LYS A 15 2.004 -6.207 8.808 1.00 0.00 H new ATOM 0 HB2 LYS A 15 1.186 -8.573 9.382 1.00 0.00 H new ATOM 0 HB3 LYS A 15 1.002 -7.235 10.498 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -0.982 -8.581 10.596 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -1.402 -7.048 9.857 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -1.328 -8.093 7.610 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -0.864 -9.624 8.326 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -3.169 -8.885 9.761 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -3.523 -8.382 8.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -4.212 -10.487 7.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -2.573 -10.814 7.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -3.218 -11.049 9.215 1.00 0.00 H new ATOM 240 N PRO A 16 2.697 -7.741 6.883 1.00 0.00 N ATOM 241 CA PRO A 16 3.119 -8.401 5.647 1.00 0.00 C ATOM 242 C PRO A 16 2.511 -9.798 5.443 1.00 0.00 C ATOM 243 O PRO A 16 2.848 -10.500 4.493 1.00 0.00 O ATOM 244 CB PRO A 16 4.647 -8.367 5.679 1.00 0.00 C ATOM 245 CG PRO A 16 4.953 -8.417 7.171 1.00 0.00 C ATOM 246 CD PRO A 16 3.834 -7.570 7.770 1.00 0.00 C ATOM 0 HA PRO A 16 2.741 -7.879 4.768 1.00 0.00 H new ATOM 0 HB2 PRO A 16 5.082 -9.214 5.148 1.00 0.00 H new ATOM 0 HB3 PRO A 16 5.042 -7.463 5.215 1.00 0.00 H new ATOM 0 HG2 PRO A 16 4.938 -9.437 7.554 1.00 0.00 H new ATOM 0 HG3 PRO A 16 5.937 -8.006 7.397 1.00 0.00 H new ATOM 0 HD2 PRO A 16 3.594 -7.896 8.782 1.00 0.00 H new ATOM 0 HD3 PRO A 16 4.127 -6.522 7.834 1.00 0.00 H new ATOM 254 N ASN A 17 1.602 -10.209 6.325 1.00 0.00 N ATOM 255 CA ASN A 17 0.740 -11.373 6.179 1.00 0.00 C ATOM 256 C ASN A 17 -0.707 -10.946 5.904 1.00 0.00 C ATOM 257 O ASN A 17 -1.642 -11.667 6.255 1.00 0.00 O ATOM 258 CB ASN A 17 0.883 -12.267 7.419 1.00 0.00 C ATOM 259 CG ASN A 17 2.062 -13.201 7.234 1.00 0.00 C ATOM 260 OD1 ASN A 17 1.948 -14.198 6.533 1.00 0.00 O ATOM 261 ND2 ASN A 17 3.211 -12.884 7.801 1.00 0.00 N ATOM 0 H ASN A 17 1.441 -9.713 7.202 1.00 0.00 H new ATOM 0 HA ASN A 17 1.047 -11.961 5.314 1.00 0.00 H new ATOM 0 HB2 ASN A 17 1.027 -11.654 8.308 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -0.030 -12.842 7.573 1.00 0.00 H new ATOM 0 HD21 ASN A 17 4.030 -13.475 7.659 1.00 0.00 H new ATOM 0 HD22 ASN A 17 3.280 -12.048 8.381 1.00 0.00 H new ATOM 268 N ALA A 18 -0.940 -9.753 5.347 1.00 0.00 N ATOM 269 CA ALA A 18 -2.283 -9.363 4.946 1.00 0.00 C ATOM 270 C ALA A 18 -2.729 -10.151 3.718 1.00 0.00 C ATOM 271 O ALA A 18 -1.917 -10.619 2.914 1.00 0.00 O ATOM 272 CB ALA A 18 -2.413 -7.855 4.719 1.00 0.00 C ATOM 0 H ALA A 18 -0.221 -9.052 5.168 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.949 -9.608 5.773 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -3.435 -7.619 4.422 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -2.172 -7.326 5.641 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -1.725 -7.545 3.932 1.00 0.00 H new ATOM 278 N THR A 19 -4.036 -10.256 3.565 1.00 0.00 N ATOM 279 CA THR A 19 -4.728 -10.846 2.440 1.00 0.00 C ATOM 280 C THR A 19 -5.124 -9.760 1.427 1.00 0.00 C ATOM 281 O THR A 19 -4.990 -8.563 1.693 1.00 0.00 O ATOM 282 CB THR A 19 -5.908 -11.663 2.997 1.00 0.00 C ATOM 283 OG1 THR A 19 -6.627 -11.067 4.055 1.00 0.00 O ATOM 284 CG2 THR A 19 -5.420 -13.026 3.490 1.00 0.00 C ATOM 0 H THR A 19 -4.683 -9.907 4.272 1.00 0.00 H new ATOM 0 HA THR A 19 -4.090 -11.528 1.878 1.00 0.00 H new ATOM 0 HB THR A 19 -6.593 -11.736 2.152 1.00 0.00 H new ATOM 0 HG1 THR A 19 -6.080 -11.077 4.868 1.00 0.00 H new ATOM 0 HG21 THR A 19 -6.263 -13.595 3.882 1.00 0.00 H new ATOM 0 HG22 THR A 19 -4.968 -13.572 2.662 1.00 0.00 H new ATOM 0 HG23 THR A 19 -4.681 -12.884 4.278 1.00 0.00 H new ATOM 292 N GLN A 20 -5.612 -10.150 0.246 1.00 0.00 N ATOM 293 CA GLN A 20 -5.923 -9.203 -0.827 1.00 0.00 C ATOM 294 C GLN A 20 -7.082 -8.282 -0.424 1.00 0.00 C ATOM 295 O GLN A 20 -7.120 -7.109 -0.798 1.00 0.00 O ATOM 296 CB GLN A 20 -6.242 -9.965 -2.132 1.00 0.00 C ATOM 297 CG GLN A 20 -5.216 -11.039 -2.538 1.00 0.00 C ATOM 298 CD GLN A 20 -3.792 -10.516 -2.390 1.00 0.00 C ATOM 299 OE1 GLN A 20 -3.461 -9.414 -2.816 1.00 0.00 O ATOM 300 NE2 GLN A 20 -2.931 -11.227 -1.700 1.00 0.00 N ATOM 0 H GLN A 20 -5.801 -11.124 0.008 1.00 0.00 H new ATOM 0 HA GLN A 20 -5.050 -8.574 -1.002 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -7.217 -10.440 -2.026 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -6.326 -9.242 -2.943 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -5.348 -11.926 -1.918 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -5.391 -11.342 -3.570 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -3.198 -12.144 -1.342 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -1.995 -10.862 -1.522 1.00 0.00 H new ATOM 309 N GLU A 21 -8.023 -8.774 0.388 1.00 0.00 N ATOM 310 CA GLU A 21 -9.094 -7.940 0.911 1.00 0.00 C ATOM 311 C GLU A 21 -8.658 -7.091 2.106 1.00 0.00 C ATOM 312 O GLU A 21 -9.353 -6.151 2.488 1.00 0.00 O ATOM 313 CB GLU A 21 -10.295 -8.793 1.299 1.00 0.00 C ATOM 314 CG GLU A 21 -10.963 -9.412 0.086 1.00 0.00 C ATOM 315 CD GLU A 21 -12.480 -9.456 0.245 1.00 0.00 C ATOM 316 OE1 GLU A 21 -12.997 -9.891 1.290 1.00 0.00 O ATOM 317 OE2 GLU A 21 -13.193 -9.009 -0.685 1.00 0.00 O ATOM 0 H GLU A 21 -8.059 -9.746 0.694 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.370 -7.255 0.109 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.975 -9.582 1.980 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -11.017 -8.180 1.838 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -10.706 -8.839 -0.805 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -10.582 -10.422 -0.064 1.00 0.00 H new ATOM 324 N GLU A 22 -7.532 -7.417 2.729 1.00 0.00 N ATOM 325 CA GLU A 22 -6.947 -6.575 3.768 1.00 0.00 C ATOM 326 C GLU A 22 -6.275 -5.361 3.130 1.00 0.00 C ATOM 327 O GLU A 22 -6.385 -4.270 3.681 1.00 0.00 O ATOM 328 CB GLU A 22 -5.985 -7.372 4.659 1.00 0.00 C ATOM 329 CG GLU A 22 -6.776 -8.265 5.614 1.00 0.00 C ATOM 330 CD GLU A 22 -5.862 -9.071 6.537 1.00 0.00 C ATOM 331 OE1 GLU A 22 -5.241 -10.042 6.052 1.00 0.00 O ATOM 332 OE2 GLU A 22 -5.759 -8.736 7.738 1.00 0.00 O ATOM 0 H GLU A 22 -7.001 -8.265 2.531 1.00 0.00 H new ATOM 0 HA GLU A 22 -7.741 -6.216 4.422 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -5.324 -7.981 4.042 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -5.352 -6.690 5.226 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -7.445 -7.649 6.215 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -7.401 -8.947 5.038 1.00 0.00 H new ATOM 339 N LEU A 23 -5.654 -5.496 1.949 1.00 0.00 N ATOM 340 CA LEU A 23 -5.057 -4.372 1.243 1.00 0.00 C ATOM 341 C LEU A 23 -6.067 -3.253 0.992 1.00 0.00 C ATOM 342 O LEU A 23 -5.801 -2.102 1.337 1.00 0.00 O ATOM 343 CB LEU A 23 -4.462 -4.860 -0.089 1.00 0.00 C ATOM 344 CG LEU A 23 -2.959 -5.135 -0.081 1.00 0.00 C ATOM 345 CD1 LEU A 23 -2.113 -3.933 0.354 1.00 0.00 C ATOM 346 CD2 LEU A 23 -2.581 -6.343 0.764 1.00 0.00 C ATOM 0 H LEU A 23 -5.556 -6.388 1.464 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.268 -3.960 1.872 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.978 -5.774 -0.384 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.672 -4.114 -0.855 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.729 -5.348 -1.125 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.058 -4.205 0.335 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.286 -3.101 -0.328 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.393 -3.638 1.365 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.501 -6.487 0.730 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.893 -6.178 1.795 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.078 -7.231 0.373 1.00 0.00 H new ATOM 358 N LYS A 24 -7.229 -3.566 0.403 1.00 0.00 N ATOM 359 CA LYS A 24 -8.260 -2.551 0.156 1.00 0.00 C ATOM 360 C LYS A 24 -8.677 -1.869 1.457 1.00 0.00 C ATOM 361 O LYS A 24 -8.691 -0.640 1.533 1.00 0.00 O ATOM 362 CB LYS A 24 -9.463 -3.115 -0.622 1.00 0.00 C ATOM 363 CG LYS A 24 -10.139 -4.350 -0.011 1.00 0.00 C ATOM 364 CD LYS A 24 -11.302 -4.913 -0.839 1.00 0.00 C ATOM 365 CE LYS A 24 -12.436 -3.890 -1.013 1.00 0.00 C ATOM 366 NZ LYS A 24 -13.701 -4.527 -1.431 1.00 0.00 N ATOM 0 H LYS A 24 -7.477 -4.505 0.091 1.00 0.00 H new ATOM 0 HA LYS A 24 -7.821 -1.788 -0.487 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -10.210 -2.327 -0.719 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -9.133 -3.367 -1.630 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -9.390 -5.131 0.119 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -10.507 -4.093 0.982 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -10.935 -5.217 -1.819 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -11.692 -5.807 -0.354 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -12.591 -3.359 -0.074 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -12.143 -3.147 -1.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -14.437 -3.800 -1.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -13.561 -5.013 -2.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -13.996 -5.217 -0.712 1.00 0.00 H new ATOM 380 N LYS A 25 -8.993 -2.655 2.489 1.00 0.00 N ATOM 381 CA LYS A 25 -9.365 -2.135 3.804 1.00 0.00 C ATOM 382 C LYS A 25 -8.299 -1.177 4.333 1.00 0.00 C ATOM 383 O LYS A 25 -8.650 -0.063 4.722 1.00 0.00 O ATOM 384 CB LYS A 25 -9.647 -3.260 4.800 1.00 0.00 C ATOM 385 CG LYS A 25 -11.020 -3.894 4.541 1.00 0.00 C ATOM 386 CD LYS A 25 -11.361 -4.831 5.697 1.00 0.00 C ATOM 387 CE LYS A 25 -12.755 -5.442 5.513 1.00 0.00 C ATOM 388 NZ LYS A 25 -13.045 -6.485 6.519 1.00 0.00 N ATOM 0 H LYS A 25 -8.998 -3.674 2.434 1.00 0.00 H new ATOM 0 HA LYS A 25 -10.292 -1.574 3.685 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -8.871 -4.021 4.723 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -9.610 -2.868 5.816 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -11.781 -3.119 4.448 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -11.009 -4.445 3.601 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -10.617 -5.625 5.758 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -11.321 -4.283 6.638 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -13.506 -4.655 5.581 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -12.833 -5.872 4.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -13.997 -6.870 6.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -12.344 -7.249 6.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.997 -6.071 7.472 1.00 0.00 H new ATOM 402 N ALA A 26 -7.025 -1.572 4.320 1.00 0.00 N ATOM 403 CA ALA A 26 -5.901 -0.759 4.770 1.00 0.00 C ATOM 404 C ALA A 26 -5.842 0.564 3.997 1.00 0.00 C ATOM 405 O ALA A 26 -5.849 1.644 4.596 1.00 0.00 O ATOM 406 CB ALA A 26 -4.606 -1.567 4.606 1.00 0.00 C ATOM 0 H ALA A 26 -6.742 -2.493 3.986 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.028 -0.506 5.823 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -3.759 -0.968 4.940 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -4.666 -2.476 5.205 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -4.473 -1.831 3.557 1.00 0.00 H new ATOM 412 N TYR A 27 -5.824 0.478 2.663 1.00 0.00 N ATOM 413 CA TYR A 27 -5.771 1.608 1.747 1.00 0.00 C ATOM 414 C TYR A 27 -6.859 2.625 2.084 1.00 0.00 C ATOM 415 O TYR A 27 -6.571 3.810 2.263 1.00 0.00 O ATOM 416 CB TYR A 27 -5.902 1.114 0.298 1.00 0.00 C ATOM 417 CG TYR A 27 -5.915 2.245 -0.708 1.00 0.00 C ATOM 418 CD1 TYR A 27 -7.110 2.939 -0.981 1.00 0.00 C ATOM 419 CD2 TYR A 27 -4.721 2.638 -1.333 1.00 0.00 C ATOM 420 CE1 TYR A 27 -7.113 4.016 -1.884 1.00 0.00 C ATOM 421 CE2 TYR A 27 -4.705 3.736 -2.210 1.00 0.00 C ATOM 422 CZ TYR A 27 -5.911 4.407 -2.511 1.00 0.00 C ATOM 423 OH TYR A 27 -5.930 5.395 -3.441 1.00 0.00 O ATOM 0 H TYR A 27 -5.847 -0.419 2.178 1.00 0.00 H new ATOM 0 HA TYR A 27 -4.808 2.107 1.854 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -5.074 0.442 0.072 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -6.820 0.534 0.198 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -8.027 2.642 -0.495 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -3.809 2.093 -1.139 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -8.032 4.542 -2.097 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -3.776 4.065 -2.651 1.00 0.00 H new ATOM 0 HH TYR A 27 -5.022 5.546 -3.777 1.00 0.00 H new ATOM 433 N ARG A 28 -8.111 2.167 2.215 1.00 0.00 N ATOM 434 CA ARG A 28 -9.272 3.027 2.441 1.00 0.00 C ATOM 435 C ARG A 28 -9.136 3.931 3.659 1.00 0.00 C ATOM 436 O ARG A 28 -9.810 4.959 3.730 1.00 0.00 O ATOM 437 CB ARG A 28 -10.530 2.159 2.597 1.00 0.00 C ATOM 438 CG ARG A 28 -11.113 1.699 1.256 1.00 0.00 C ATOM 439 CD ARG A 28 -12.638 1.702 1.323 1.00 0.00 C ATOM 440 NE ARG A 28 -13.226 1.586 -0.016 1.00 0.00 N ATOM 441 CZ ARG A 28 -14.132 0.705 -0.435 1.00 0.00 C ATOM 442 NH1 ARG A 28 -14.442 -0.368 0.284 1.00 0.00 N ATOM 443 NH2 ARG A 28 -14.719 0.934 -1.597 1.00 0.00 N ATOM 0 H ARG A 28 -8.345 1.175 2.166 1.00 0.00 H new ATOM 0 HA ARG A 28 -9.347 3.679 1.571 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -10.288 1.284 3.200 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -11.288 2.722 3.142 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -10.774 2.359 0.457 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -10.753 0.698 1.017 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -12.979 0.875 1.946 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -12.982 2.621 1.796 1.00 0.00 H new ATOM 0 HE ARG A 28 -12.902 2.261 -0.709 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -13.982 -0.532 1.180 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -15.140 -1.028 -0.059 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -14.472 1.762 -2.138 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -15.419 0.282 -1.952 1.00 0.00 H new ATOM 457 N LYS A 29 -8.305 3.563 4.626 1.00 0.00 N ATOM 458 CA LYS A 29 -8.141 4.299 5.869 1.00 0.00 C ATOM 459 C LYS A 29 -7.062 5.350 5.650 1.00 0.00 C ATOM 460 O LYS A 29 -7.238 6.522 5.984 1.00 0.00 O ATOM 461 CB LYS A 29 -7.784 3.296 6.982 1.00 0.00 C ATOM 462 CG LYS A 29 -8.850 2.188 7.100 1.00 0.00 C ATOM 463 CD LYS A 29 -8.378 0.922 7.820 1.00 0.00 C ATOM 464 CE LYS A 29 -8.394 1.076 9.338 1.00 0.00 C ATOM 465 NZ LYS A 29 -9.767 1.206 9.871 1.00 0.00 N ATOM 0 H LYS A 29 -7.718 2.731 4.566 1.00 0.00 H new ATOM 0 HA LYS A 29 -9.053 4.813 6.173 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -6.812 2.848 6.773 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -7.695 3.821 7.933 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -9.715 2.589 7.628 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -9.185 1.917 6.099 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -9.017 0.086 7.536 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -7.368 0.677 7.493 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -7.909 0.213 9.794 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -7.812 1.954 9.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -9.767 0.987 10.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -10.105 2.179 9.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -10.396 0.543 9.374 1.00 0.00 H new ATOM 479 N LEU A 30 -5.937 4.931 5.073 1.00 0.00 N ATOM 480 CA LEU A 30 -4.770 5.789 4.904 1.00 0.00 C ATOM 481 C LEU A 30 -4.956 6.828 3.805 1.00 0.00 C ATOM 482 O LEU A 30 -4.459 7.939 3.953 1.00 0.00 O ATOM 483 CB LEU A 30 -3.518 4.947 4.661 1.00 0.00 C ATOM 484 CG LEU A 30 -3.097 4.140 5.903 1.00 0.00 C ATOM 485 CD1 LEU A 30 -1.917 3.253 5.536 1.00 0.00 C ATOM 486 CD2 LEU A 30 -2.713 5.045 7.080 1.00 0.00 C ATOM 0 H LEU A 30 -5.811 3.986 4.710 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.645 6.345 5.833 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.700 4.263 3.832 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.698 5.600 4.361 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.949 3.539 6.220 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.610 2.676 6.409 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.208 2.573 4.736 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.086 3.873 5.200 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.424 4.430 7.932 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.877 5.682 6.791 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.565 5.667 7.354 1.00 0.00 H new ATOM 498 N ALA A 31 -5.696 6.524 2.738 1.00 0.00 N ATOM 499 CA ALA A 31 -5.992 7.496 1.689 1.00 0.00 C ATOM 500 C ALA A 31 -6.664 8.736 2.279 1.00 0.00 C ATOM 501 O ALA A 31 -6.232 9.857 2.041 1.00 0.00 O ATOM 502 CB ALA A 31 -6.868 6.812 0.632 1.00 0.00 C ATOM 0 H ALA A 31 -6.104 5.603 2.578 1.00 0.00 H new ATOM 0 HA ALA A 31 -5.071 7.838 1.216 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -7.101 7.522 -0.162 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -6.333 5.960 0.212 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -7.793 6.467 1.094 1.00 0.00 H new ATOM 508 N LEU A 32 -7.690 8.536 3.103 1.00 0.00 N ATOM 509 CA LEU A 32 -8.387 9.580 3.824 1.00 0.00 C ATOM 510 C LEU A 32 -7.458 10.343 4.765 1.00 0.00 C ATOM 511 O LEU A 32 -7.577 11.564 4.862 1.00 0.00 O ATOM 512 CB LEU A 32 -9.546 8.929 4.591 1.00 0.00 C ATOM 513 CG LEU A 32 -10.776 8.725 3.696 1.00 0.00 C ATOM 514 CD1 LEU A 32 -10.546 7.998 2.364 1.00 0.00 C ATOM 515 CD2 LEU A 32 -11.877 8.016 4.495 1.00 0.00 C ATOM 0 H LEU A 32 -8.067 7.606 3.289 1.00 0.00 H new ATOM 0 HA LEU A 32 -8.769 10.317 3.118 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.223 7.968 4.991 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.815 9.554 5.443 1.00 0.00 H new ATOM 0 HG LEU A 32 -11.069 9.732 3.400 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -11.490 7.917 1.826 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -9.832 8.559 1.762 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.152 7.000 2.557 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -12.751 7.871 3.860 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -11.512 7.048 4.837 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -12.151 8.625 5.356 1.00 0.00 H new ATOM 527 N LYS A 33 -6.536 9.654 5.450 1.00 0.00 N ATOM 528 CA LYS A 33 -5.550 10.306 6.303 1.00 0.00 C ATOM 529 C LYS A 33 -4.700 11.272 5.482 1.00 0.00 C ATOM 530 O LYS A 33 -4.561 12.427 5.887 1.00 0.00 O ATOM 531 CB LYS A 33 -4.695 9.263 7.048 1.00 0.00 C ATOM 532 CG LYS A 33 -3.497 9.886 7.783 1.00 0.00 C ATOM 533 CD LYS A 33 -2.780 8.885 8.701 1.00 0.00 C ATOM 534 CE LYS A 33 -3.157 9.057 10.179 1.00 0.00 C ATOM 535 NZ LYS A 33 -4.588 8.819 10.434 1.00 0.00 N ATOM 0 H LYS A 33 -6.458 8.637 5.425 1.00 0.00 H new ATOM 0 HA LYS A 33 -6.068 10.890 7.064 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -5.321 8.734 7.767 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -4.332 8.522 6.336 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -2.788 10.274 7.051 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -3.840 10.734 8.375 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -3.023 7.871 8.385 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -1.702 9.004 8.589 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -2.566 8.369 10.783 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -2.898 10.066 10.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -4.786 8.949 11.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -5.156 9.492 9.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -4.834 7.848 10.155 1.00 0.00 H new ATOM 549 N TYR A 34 -4.109 10.812 4.385 1.00 0.00 N ATOM 550 CA TYR A 34 -3.120 11.565 3.624 1.00 0.00 C ATOM 551 C TYR A 34 -3.737 12.351 2.468 1.00 0.00 C ATOM 552 O TYR A 34 -3.000 12.810 1.597 1.00 0.00 O ATOM 553 CB TYR A 34 -1.990 10.624 3.182 1.00 0.00 C ATOM 554 CG TYR A 34 -1.298 9.931 4.341 1.00 0.00 C ATOM 555 CD1 TYR A 34 -0.567 10.684 5.276 1.00 0.00 C ATOM 556 CD2 TYR A 34 -1.362 8.536 4.485 1.00 0.00 C ATOM 557 CE1 TYR A 34 0.163 10.051 6.292 1.00 0.00 C ATOM 558 CE2 TYR A 34 -0.637 7.895 5.493 1.00 0.00 C ATOM 559 CZ TYR A 34 0.130 8.644 6.411 1.00 0.00 C ATOM 560 OH TYR A 34 0.811 8.017 7.406 1.00 0.00 O ATOM 0 H TYR A 34 -4.307 9.891 3.994 1.00 0.00 H new ATOM 0 HA TYR A 34 -2.690 12.328 4.272 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -2.397 9.870 2.508 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -1.253 11.193 2.616 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -0.568 11.762 5.211 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -1.975 7.955 3.813 1.00 0.00 H new ATOM 0 HE1 TYR A 34 0.750 10.638 6.983 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -0.664 6.818 5.570 1.00 0.00 H new ATOM 0 HH TYR A 34 0.675 7.049 7.336 1.00 0.00 H new ATOM 570 N HIS A 35 -5.065 12.517 2.435 1.00 0.00 N ATOM 571 CA HIS A 35 -5.693 13.202 1.317 1.00 0.00 C ATOM 572 C HIS A 35 -5.165 14.646 1.304 1.00 0.00 C ATOM 573 O HIS A 35 -5.152 15.282 2.364 1.00 0.00 O ATOM 574 CB HIS A 35 -7.222 13.168 1.527 1.00 0.00 C ATOM 575 CG HIS A 35 -8.021 13.013 0.261 1.00 0.00 C ATOM 576 ND1 HIS A 35 -8.647 14.008 -0.454 1.00 0.00 N ATOM 577 CD2 HIS A 35 -8.292 11.824 -0.361 1.00 0.00 C ATOM 578 CE1 HIS A 35 -9.261 13.433 -1.500 1.00 0.00 C ATOM 579 NE2 HIS A 35 -9.094 12.095 -1.478 1.00 0.00 N ATOM 0 H HIS A 35 -5.708 12.191 3.157 1.00 0.00 H new ATOM 0 HA HIS A 35 -5.464 12.727 0.363 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -7.466 12.345 2.199 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -7.528 14.088 2.025 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -7.949 10.850 -0.047 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -9.814 13.969 -2.257 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -9.474 11.418 -2.140 1.00 0.00 H new ATOM 587 N PRO A 36 -4.910 15.252 0.135 1.00 0.00 N ATOM 588 CA PRO A 36 -4.278 16.570 0.059 1.00 0.00 C ATOM 589 C PRO A 36 -5.260 17.655 0.510 1.00 0.00 C ATOM 590 O PRO A 36 -4.875 18.669 1.096 1.00 0.00 O ATOM 591 CB PRO A 36 -3.862 16.725 -1.406 1.00 0.00 C ATOM 592 CG PRO A 36 -4.840 15.825 -2.160 1.00 0.00 C ATOM 593 CD PRO A 36 -5.070 14.678 -1.186 1.00 0.00 C ATOM 0 HA PRO A 36 -3.415 16.668 0.717 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -3.937 17.761 -1.736 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -2.829 16.414 -1.564 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -5.768 16.346 -2.396 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -4.421 15.475 -3.104 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -6.065 14.252 -1.310 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -4.355 13.872 -1.353 1.00 0.00 H new ATOM 601 N ASP A 37 -6.549 17.379 0.308 1.00 0.00 N ATOM 602 CA ASP A 37 -7.688 18.207 0.666 1.00 0.00 C ATOM 603 C ASP A 37 -7.702 18.530 2.156 1.00 0.00 C ATOM 604 O ASP A 37 -8.085 19.631 2.551 1.00 0.00 O ATOM 605 CB ASP A 37 -8.966 17.451 0.275 1.00 0.00 C ATOM 606 CG ASP A 37 -10.123 18.401 -0.001 1.00 0.00 C ATOM 607 OD1 ASP A 37 -9.987 19.202 -0.948 1.00 0.00 O ATOM 608 OD2 ASP A 37 -11.193 18.265 0.638 1.00 0.00 O ATOM 0 H ASP A 37 -6.838 16.510 -0.141 1.00 0.00 H new ATOM 0 HA ASP A 37 -7.624 19.156 0.134 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -8.774 16.846 -0.611 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -9.242 16.765 1.076 1.00 0.00 H new ATOM 613 N LYS A 38 -7.239 17.594 2.991 1.00 0.00 N ATOM 614 CA LYS A 38 -7.304 17.664 4.449 1.00 0.00 C ATOM 615 C LYS A 38 -5.939 17.528 5.113 1.00 0.00 C ATOM 616 O LYS A 38 -5.880 17.563 6.344 1.00 0.00 O ATOM 617 CB LYS A 38 -8.265 16.564 4.937 1.00 0.00 C ATOM 618 CG LYS A 38 -9.742 16.960 4.794 1.00 0.00 C ATOM 619 CD LYS A 38 -10.216 18.048 5.774 1.00 0.00 C ATOM 620 CE LYS A 38 -10.125 17.582 7.233 1.00 0.00 C ATOM 621 NZ LYS A 38 -9.812 18.673 8.174 1.00 0.00 N ATOM 0 H LYS A 38 -6.794 16.739 2.656 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.670 18.650 4.733 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -8.082 15.650 4.371 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -8.053 16.340 5.982 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -9.913 17.309 3.776 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.357 16.071 4.934 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -9.611 18.945 5.641 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -11.246 18.321 5.543 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -11.071 17.123 7.521 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -9.359 16.811 7.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -9.764 18.294 9.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -8.896 19.096 7.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -10.555 19.399 8.123 1.00 0.00 H new ATOM 635 N ASN A 39 -4.865 17.323 4.354 1.00 0.00 N ATOM 636 CA ASN A 39 -3.551 17.044 4.908 1.00 0.00 C ATOM 637 C ASN A 39 -2.471 17.539 3.937 1.00 0.00 C ATOM 638 O ASN A 39 -1.808 16.732 3.284 1.00 0.00 O ATOM 639 CB ASN A 39 -3.456 15.538 5.205 1.00 0.00 C ATOM 640 CG ASN A 39 -2.378 15.229 6.225 1.00 0.00 C ATOM 641 OD1 ASN A 39 -1.577 16.071 6.619 1.00 0.00 O ATOM 642 ND2 ASN A 39 -2.381 14.013 6.738 1.00 0.00 N ATOM 0 H ASN A 39 -4.886 17.347 3.334 1.00 0.00 H new ATOM 0 HA ASN A 39 -3.392 17.575 5.847 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -4.417 15.179 5.573 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -3.247 14.998 4.281 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -1.714 13.766 7.469 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -3.051 13.320 6.404 1.00 0.00 H new ATOM 649 N PRO A 40 -2.304 18.866 3.783 1.00 0.00 N ATOM 650 CA PRO A 40 -1.572 19.465 2.663 1.00 0.00 C ATOM 651 C PRO A 40 -0.060 19.190 2.628 1.00 0.00 C ATOM 652 O PRO A 40 0.621 19.607 1.690 1.00 0.00 O ATOM 653 CB PRO A 40 -1.849 20.968 2.748 1.00 0.00 C ATOM 654 CG PRO A 40 -2.319 21.214 4.179 1.00 0.00 C ATOM 655 CD PRO A 40 -2.982 19.897 4.559 1.00 0.00 C ATOM 0 HA PRO A 40 -1.924 19.007 1.738 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -0.952 21.546 2.524 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -2.610 21.269 2.028 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -1.486 21.451 4.841 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -3.019 22.048 4.235 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -2.887 19.707 5.628 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -4.048 19.918 4.333 1.00 0.00 H new ATOM 663 N ASN A 41 0.504 18.544 3.645 1.00 0.00 N ATOM 664 CA ASN A 41 1.886 18.048 3.654 1.00 0.00 C ATOM 665 C ASN A 41 2.059 16.775 2.834 1.00 0.00 C ATOM 666 O ASN A 41 3.167 16.460 2.399 1.00 0.00 O ATOM 667 CB ASN A 41 2.308 17.684 5.086 1.00 0.00 C ATOM 668 CG ASN A 41 3.560 18.429 5.500 1.00 0.00 C ATOM 669 OD1 ASN A 41 4.653 17.880 5.456 1.00 0.00 O ATOM 670 ND2 ASN A 41 3.429 19.672 5.928 1.00 0.00 N ATOM 0 H ASN A 41 0.003 18.343 4.511 1.00 0.00 H new ATOM 0 HA ASN A 41 2.490 18.850 3.230 1.00 0.00 H new ATOM 0 HB2 ASN A 41 1.498 17.919 5.776 1.00 0.00 H new ATOM 0 HB3 ASN A 41 2.483 16.610 5.153 1.00 0.00 H new ATOM 0 HD21 ASN A 41 4.250 20.196 6.231 1.00 0.00 H new ATOM 0 HD22 ASN A 41 2.507 20.108 5.955 1.00 0.00 H new ATOM 677 N GLU A 42 0.992 15.985 2.726 1.00 0.00 N ATOM 678 CA GLU A 42 1.092 14.540 2.561 1.00 0.00 C ATOM 679 C GLU A 42 0.616 14.098 1.177 1.00 0.00 C ATOM 680 O GLU A 42 0.543 12.901 0.901 1.00 0.00 O ATOM 681 CB GLU A 42 0.306 13.830 3.671 1.00 0.00 C ATOM 682 CG GLU A 42 0.675 14.233 5.109 1.00 0.00 C ATOM 683 CD GLU A 42 1.960 13.615 5.647 1.00 0.00 C ATOM 684 OE1 GLU A 42 3.030 13.839 5.047 1.00 0.00 O ATOM 685 OE2 GLU A 42 1.884 12.851 6.643 1.00 0.00 O ATOM 0 H GLU A 42 0.033 16.332 2.751 1.00 0.00 H new ATOM 0 HA GLU A 42 2.142 14.258 2.642 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -0.756 14.023 3.520 1.00 0.00 H new ATOM 0 HB3 GLU A 42 0.453 12.755 3.565 1.00 0.00 H new ATOM 0 HG2 GLU A 42 0.767 15.318 5.153 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -0.147 13.956 5.769 1.00 0.00 H new ATOM 692 N GLY A 43 0.317 15.054 0.298 1.00 0.00 N ATOM 693 CA GLY A 43 -0.202 14.775 -1.034 1.00 0.00 C ATOM 694 C GLY A 43 0.746 13.903 -1.863 1.00 0.00 C ATOM 695 O GLY A 43 0.268 13.078 -2.646 1.00 0.00 O ATOM 0 H GLY A 43 0.430 16.049 0.494 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.167 14.276 -0.947 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.376 15.715 -1.557 1.00 0.00 H new ATOM 699 N GLU A 44 2.069 14.018 -1.678 1.00 0.00 N ATOM 700 CA GLU A 44 3.036 13.110 -2.308 1.00 0.00 C ATOM 701 C GLU A 44 3.105 11.766 -1.577 1.00 0.00 C ATOM 702 O GLU A 44 3.291 10.740 -2.223 1.00 0.00 O ATOM 703 CB GLU A 44 4.431 13.749 -2.413 1.00 0.00 C ATOM 704 CG GLU A 44 4.581 14.546 -3.720 1.00 0.00 C ATOM 705 CD GLU A 44 6.004 15.059 -3.947 1.00 0.00 C ATOM 706 OE1 GLU A 44 6.604 15.589 -2.987 1.00 0.00 O ATOM 707 OE2 GLU A 44 6.508 15.020 -5.098 1.00 0.00 O ATOM 0 H GLU A 44 2.495 14.737 -1.093 1.00 0.00 H new ATOM 0 HA GLU A 44 2.681 12.921 -3.321 1.00 0.00 H new ATOM 0 HB2 GLU A 44 4.597 14.408 -1.561 1.00 0.00 H new ATOM 0 HB3 GLU A 44 5.194 12.972 -2.368 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.290 13.915 -4.560 1.00 0.00 H new ATOM 0 HG3 GLU A 44 3.894 15.392 -3.704 1.00 0.00 H new ATOM 714 N LYS A 45 2.845 11.704 -0.266 1.00 0.00 N ATOM 715 CA LYS A 45 2.795 10.427 0.445 1.00 0.00 C ATOM 716 C LYS A 45 1.755 9.511 -0.157 1.00 0.00 C ATOM 717 O LYS A 45 1.940 8.293 -0.183 1.00 0.00 O ATOM 718 CB LYS A 45 2.418 10.615 1.913 1.00 0.00 C ATOM 719 CG LYS A 45 3.069 9.492 2.730 1.00 0.00 C ATOM 720 CD LYS A 45 2.846 9.733 4.214 1.00 0.00 C ATOM 721 CE LYS A 45 3.740 10.915 4.615 1.00 0.00 C ATOM 722 NZ LYS A 45 3.913 11.112 6.062 1.00 0.00 N ATOM 0 H LYS A 45 2.667 12.520 0.319 1.00 0.00 H new ATOM 0 HA LYS A 45 3.792 9.995 0.360 1.00 0.00 H new ATOM 0 HB2 LYS A 45 2.756 11.588 2.269 1.00 0.00 H new ATOM 0 HB3 LYS A 45 1.335 10.591 2.032 1.00 0.00 H new ATOM 0 HG2 LYS A 45 2.646 8.529 2.442 1.00 0.00 H new ATOM 0 HG3 LYS A 45 4.137 9.448 2.517 1.00 0.00 H new ATOM 0 HD2 LYS A 45 1.798 9.956 4.415 1.00 0.00 H new ATOM 0 HD3 LYS A 45 3.100 8.844 4.792 1.00 0.00 H new ATOM 0 HE2 LYS A 45 4.723 10.775 4.164 1.00 0.00 H new ATOM 0 HE3 LYS A 45 3.321 11.827 4.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 4.681 11.792 6.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 3.030 11.479 6.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 4.150 10.204 6.510 1.00 0.00 H new ATOM 736 N PHE A 46 0.656 10.104 -0.628 1.00 0.00 N ATOM 737 CA PHE A 46 -0.429 9.385 -1.256 1.00 0.00 C ATOM 738 C PHE A 46 0.116 8.505 -2.391 1.00 0.00 C ATOM 739 O PHE A 46 -0.342 7.378 -2.593 1.00 0.00 O ATOM 740 CB PHE A 46 -1.459 10.382 -1.799 1.00 0.00 C ATOM 741 CG PHE A 46 -2.923 9.985 -1.709 1.00 0.00 C ATOM 742 CD1 PHE A 46 -3.362 8.646 -1.783 1.00 0.00 C ATOM 743 CD2 PHE A 46 -3.876 11.011 -1.609 1.00 0.00 C ATOM 744 CE1 PHE A 46 -4.736 8.349 -1.741 1.00 0.00 C ATOM 745 CE2 PHE A 46 -5.248 10.719 -1.600 1.00 0.00 C ATOM 746 CZ PHE A 46 -5.681 9.386 -1.651 1.00 0.00 C ATOM 0 H PHE A 46 0.503 11.111 -0.578 1.00 0.00 H new ATOM 0 HA PHE A 46 -0.913 8.743 -0.520 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -1.331 11.324 -1.266 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -1.225 10.574 -2.846 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -2.641 7.847 -1.872 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -3.549 12.038 -1.538 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -5.066 7.321 -1.778 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -5.971 11.520 -1.554 1.00 0.00 H new ATOM 0 HZ PHE A 46 -6.736 9.157 -1.621 1.00 0.00 H new ATOM 756 N LYS A 47 1.129 9.002 -3.106 1.00 0.00 N ATOM 757 CA LYS A 47 1.792 8.326 -4.204 1.00 0.00 C ATOM 758 C LYS A 47 2.416 7.010 -3.757 1.00 0.00 C ATOM 759 O LYS A 47 2.212 6.014 -4.444 1.00 0.00 O ATOM 760 CB LYS A 47 2.827 9.288 -4.819 1.00 0.00 C ATOM 761 CG LYS A 47 2.955 9.217 -6.343 1.00 0.00 C ATOM 762 CD LYS A 47 4.042 10.216 -6.781 1.00 0.00 C ATOM 763 CE LYS A 47 4.053 10.567 -8.270 1.00 0.00 C ATOM 764 NZ LYS A 47 4.323 9.406 -9.136 1.00 0.00 N ATOM 0 H LYS A 47 1.520 9.926 -2.921 1.00 0.00 H new ATOM 0 HA LYS A 47 1.061 8.060 -4.968 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.563 10.308 -4.539 1.00 0.00 H new ATOM 0 HB3 LYS A 47 3.802 9.079 -4.378 1.00 0.00 H new ATOM 0 HG2 LYS A 47 3.219 8.207 -6.656 1.00 0.00 H new ATOM 0 HG3 LYS A 47 2.003 9.459 -6.816 1.00 0.00 H new ATOM 0 HD2 LYS A 47 3.917 11.136 -6.210 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.016 9.806 -6.515 1.00 0.00 H new ATOM 0 HE2 LYS A 47 3.090 11.000 -8.542 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.809 11.331 -8.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 4.318 9.707 -10.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 5.254 9.006 -8.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 3.589 8.685 -8.988 1.00 0.00 H new ATOM 778 N GLN A 48 3.077 6.950 -2.594 1.00 0.00 N ATOM 779 CA GLN A 48 3.572 5.686 -2.052 1.00 0.00 C ATOM 780 C GLN A 48 2.415 4.716 -1.804 1.00 0.00 C ATOM 781 O GLN A 48 2.586 3.516 -2.039 1.00 0.00 O ATOM 782 CB GLN A 48 4.359 5.898 -0.742 1.00 0.00 C ATOM 783 CG GLN A 48 5.867 6.122 -0.939 1.00 0.00 C ATOM 784 CD GLN A 48 6.725 5.124 -0.150 1.00 0.00 C ATOM 785 OE1 GLN A 48 7.268 5.424 0.907 1.00 0.00 O ATOM 786 NE2 GLN A 48 6.905 3.911 -0.656 1.00 0.00 N ATOM 0 H GLN A 48 3.279 7.764 -2.013 1.00 0.00 H new ATOM 0 HA GLN A 48 4.249 5.260 -2.793 1.00 0.00 H new ATOM 0 HB2 GLN A 48 3.942 6.757 -0.216 1.00 0.00 H new ATOM 0 HB3 GLN A 48 4.213 5.029 -0.100 1.00 0.00 H new ATOM 0 HG2 GLN A 48 6.106 6.041 -1.999 1.00 0.00 H new ATOM 0 HG3 GLN A 48 6.122 7.136 -0.631 1.00 0.00 H new ATOM 0 HE21 GLN A 48 6.457 3.653 -1.535 1.00 0.00 H new ATOM 0 HE22 GLN A 48 7.492 3.236 -0.166 1.00 0.00 H new ATOM 795 N ILE A 49 1.254 5.212 -1.357 1.00 0.00 N ATOM 796 CA ILE A 49 0.112 4.357 -1.029 1.00 0.00 C ATOM 797 C ILE A 49 -0.364 3.707 -2.326 1.00 0.00 C ATOM 798 O ILE A 49 -0.562 2.495 -2.383 1.00 0.00 O ATOM 799 CB ILE A 49 -1.059 5.120 -0.358 1.00 0.00 C ATOM 800 CG1 ILE A 49 -0.622 6.196 0.644 1.00 0.00 C ATOM 801 CG2 ILE A 49 -1.980 4.120 0.356 1.00 0.00 C ATOM 802 CD1 ILE A 49 -1.799 6.932 1.284 1.00 0.00 C ATOM 0 H ILE A 49 1.083 6.207 -1.214 1.00 0.00 H new ATOM 0 HA ILE A 49 0.439 3.616 -0.299 1.00 0.00 H new ATOM 0 HB ILE A 49 -1.577 5.640 -1.164 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.022 5.733 1.427 1.00 0.00 H new ATOM 0 HG13 ILE A 49 0.018 6.918 0.137 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.803 4.656 0.828 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -2.378 3.410 -0.369 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.414 3.583 1.117 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.424 7.680 1.983 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.387 7.423 0.508 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.427 6.219 1.818 1.00 0.00 H new ATOM 814 N SER A 50 -0.550 4.538 -3.354 1.00 0.00 N ATOM 815 CA SER A 50 -0.931 4.155 -4.697 1.00 0.00 C ATOM 816 C SER A 50 0.057 3.120 -5.236 1.00 0.00 C ATOM 817 O SER A 50 -0.361 2.012 -5.552 1.00 0.00 O ATOM 818 CB SER A 50 -1.071 5.417 -5.525 1.00 0.00 C ATOM 819 OG SER A 50 -1.328 5.199 -6.896 1.00 0.00 O ATOM 0 H SER A 50 -0.430 5.546 -3.257 1.00 0.00 H new ATOM 0 HA SER A 50 -1.900 3.657 -4.731 1.00 0.00 H new ATOM 0 HB2 SER A 50 -1.879 6.020 -5.110 1.00 0.00 H new ATOM 0 HB3 SER A 50 -0.156 6.001 -5.430 1.00 0.00 H new ATOM 0 HG SER A 50 -1.406 6.061 -7.355 1.00 0.00 H new ATOM 825 N GLN A 51 1.352 3.439 -5.284 1.00 0.00 N ATOM 826 CA GLN A 51 2.394 2.587 -5.842 1.00 0.00 C ATOM 827 C GLN A 51 2.405 1.210 -5.171 1.00 0.00 C ATOM 828 O GLN A 51 2.513 0.188 -5.843 1.00 0.00 O ATOM 829 CB GLN A 51 3.748 3.292 -5.647 1.00 0.00 C ATOM 830 CG GLN A 51 4.866 2.801 -6.585 1.00 0.00 C ATOM 831 CD GLN A 51 5.060 3.774 -7.745 1.00 0.00 C ATOM 832 OE1 GLN A 51 5.266 4.965 -7.527 1.00 0.00 O ATOM 833 NE2 GLN A 51 4.977 3.326 -8.984 1.00 0.00 N ATOM 0 H GLN A 51 1.711 4.323 -4.924 1.00 0.00 H new ATOM 0 HA GLN A 51 2.202 2.426 -6.903 1.00 0.00 H new ATOM 0 HB2 GLN A 51 3.610 4.363 -5.796 1.00 0.00 H new ATOM 0 HB3 GLN A 51 4.070 3.153 -4.615 1.00 0.00 H new ATOM 0 HG2 GLN A 51 5.797 2.700 -6.028 1.00 0.00 H new ATOM 0 HG3 GLN A 51 4.617 1.812 -6.970 1.00 0.00 H new ATOM 0 HE21 GLN A 51 4.806 2.336 -9.158 1.00 0.00 H new ATOM 0 HE22 GLN A 51 5.084 3.970 -9.768 1.00 0.00 H new ATOM 842 N ALA A 52 2.324 1.172 -3.836 1.00 0.00 N ATOM 843 CA ALA A 52 2.368 -0.084 -3.102 1.00 0.00 C ATOM 844 C ALA A 52 1.106 -0.900 -3.337 1.00 0.00 C ATOM 845 O ALA A 52 1.192 -2.102 -3.595 1.00 0.00 O ATOM 846 CB ALA A 52 2.576 0.188 -1.609 1.00 0.00 C ATOM 0 H ALA A 52 2.228 2.000 -3.248 1.00 0.00 H new ATOM 0 HA ALA A 52 3.210 -0.670 -3.469 1.00 0.00 H new ATOM 0 HB1 ALA A 52 2.608 -0.758 -1.068 1.00 0.00 H new ATOM 0 HB2 ALA A 52 3.516 0.721 -1.464 1.00 0.00 H new ATOM 0 HB3 ALA A 52 1.753 0.795 -1.232 1.00 0.00 H new ATOM 852 N TYR A 53 -0.058 -0.255 -3.266 1.00 0.00 N ATOM 853 CA TYR A 53 -1.317 -0.908 -3.556 1.00 0.00 C ATOM 854 C TYR A 53 -1.330 -1.417 -5.000 1.00 0.00 C ATOM 855 O TYR A 53 -1.884 -2.476 -5.234 1.00 0.00 O ATOM 856 CB TYR A 53 -2.477 0.053 -3.260 1.00 0.00 C ATOM 857 CG TYR A 53 -3.860 -0.526 -3.494 1.00 0.00 C ATOM 858 CD1 TYR A 53 -4.418 -1.443 -2.579 1.00 0.00 C ATOM 859 CD2 TYR A 53 -4.585 -0.155 -4.642 1.00 0.00 C ATOM 860 CE1 TYR A 53 -5.696 -1.985 -2.813 1.00 0.00 C ATOM 861 CE2 TYR A 53 -5.860 -0.692 -4.882 1.00 0.00 C ATOM 862 CZ TYR A 53 -6.422 -1.614 -3.968 1.00 0.00 C ATOM 863 OH TYR A 53 -7.655 -2.143 -4.205 1.00 0.00 O ATOM 0 H TYR A 53 -0.146 0.728 -3.007 1.00 0.00 H new ATOM 0 HA TYR A 53 -1.441 -1.779 -2.913 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -2.405 0.377 -2.222 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.361 0.942 -3.880 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -3.864 -1.730 -1.697 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -4.158 0.547 -5.343 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -6.122 -2.685 -2.110 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -6.411 -0.401 -5.764 1.00 0.00 H new ATOM 0 HH TYR A 53 -8.012 -1.779 -5.042 1.00 0.00 H new ATOM 873 N GLU A 54 -0.691 -0.739 -5.956 1.00 0.00 N ATOM 874 CA GLU A 54 -0.789 -1.048 -7.387 1.00 0.00 C ATOM 875 C GLU A 54 -0.078 -2.358 -7.735 1.00 0.00 C ATOM 876 O GLU A 54 -0.520 -3.095 -8.615 1.00 0.00 O ATOM 877 CB GLU A 54 -0.206 0.129 -8.184 1.00 0.00 C ATOM 878 CG GLU A 54 -0.109 -0.065 -9.706 1.00 0.00 C ATOM 879 CD GLU A 54 -1.419 -0.357 -10.437 1.00 0.00 C ATOM 880 OE1 GLU A 54 -2.487 0.202 -10.099 1.00 0.00 O ATOM 881 OE2 GLU A 54 -1.338 -1.055 -11.480 1.00 0.00 O ATOM 0 H GLU A 54 -0.081 0.053 -5.756 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.837 -1.187 -7.651 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -0.816 1.011 -7.989 1.00 0.00 H new ATOM 0 HB3 GLU A 54 0.792 0.341 -7.801 1.00 0.00 H new ATOM 0 HG2 GLU A 54 0.331 0.834 -10.138 1.00 0.00 H new ATOM 0 HG3 GLU A 54 0.582 -0.884 -9.903 1.00 0.00 H new ATOM 888 N VAL A 55 1.029 -2.659 -7.054 1.00 0.00 N ATOM 889 CA VAL A 55 1.716 -3.943 -7.199 1.00 0.00 C ATOM 890 C VAL A 55 0.873 -5.071 -6.591 1.00 0.00 C ATOM 891 O VAL A 55 0.959 -6.216 -7.030 1.00 0.00 O ATOM 892 CB VAL A 55 3.126 -3.866 -6.577 1.00 0.00 C ATOM 893 CG1 VAL A 55 3.885 -5.191 -6.734 1.00 0.00 C ATOM 894 CG2 VAL A 55 3.951 -2.772 -7.271 1.00 0.00 C ATOM 0 H VAL A 55 1.472 -2.024 -6.390 1.00 0.00 H new ATOM 0 HA VAL A 55 1.840 -4.169 -8.258 1.00 0.00 H new ATOM 0 HB VAL A 55 2.996 -3.644 -5.518 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.874 -5.099 -6.284 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.332 -5.988 -6.236 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.989 -5.428 -7.793 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.944 -2.727 -6.824 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.041 -3.002 -8.333 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.454 -1.809 -7.150 1.00 0.00 H new ATOM 904 N LEU A 56 0.054 -4.762 -5.588 1.00 0.00 N ATOM 905 CA LEU A 56 -0.680 -5.761 -4.823 1.00 0.00 C ATOM 906 C LEU A 56 -2.142 -5.877 -5.262 1.00 0.00 C ATOM 907 O LEU A 56 -2.794 -6.847 -4.876 1.00 0.00 O ATOM 908 CB LEU A 56 -0.553 -5.444 -3.319 1.00 0.00 C ATOM 909 CG LEU A 56 0.907 -5.428 -2.806 1.00 0.00 C ATOM 910 CD1 LEU A 56 0.970 -4.955 -1.353 1.00 0.00 C ATOM 911 CD2 LEU A 56 1.566 -6.806 -2.880 1.00 0.00 C ATOM 0 H LEU A 56 -0.118 -3.804 -5.283 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.238 -6.738 -5.019 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.008 -4.473 -3.122 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.120 -6.183 -2.752 1.00 0.00 H new ATOM 0 HG LEU A 56 1.446 -4.740 -3.458 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.007 -4.953 -1.016 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.562 -3.947 -1.281 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.386 -5.628 -0.726 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.589 -6.741 -2.509 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.003 -7.512 -2.270 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.577 -7.149 -3.915 1.00 0.00 H new ATOM 923 N SER A 57 -2.683 -4.934 -6.036 1.00 0.00 N ATOM 924 CA SER A 57 -4.100 -4.857 -6.362 1.00 0.00 C ATOM 925 C SER A 57 -4.469 -5.874 -7.434 1.00 0.00 C ATOM 926 O SER A 57 -5.557 -6.448 -7.371 1.00 0.00 O ATOM 927 CB SER A 57 -4.462 -3.431 -6.801 1.00 0.00 C ATOM 928 OG SER A 57 -3.652 -2.979 -7.870 1.00 0.00 O ATOM 0 H SER A 57 -2.132 -4.188 -6.461 1.00 0.00 H new ATOM 0 HA SER A 57 -4.677 -5.100 -5.470 1.00 0.00 H new ATOM 0 HB2 SER A 57 -5.509 -3.400 -7.103 1.00 0.00 H new ATOM 0 HB3 SER A 57 -4.354 -2.753 -5.954 1.00 0.00 H new ATOM 0 HG SER A 57 -3.917 -2.069 -8.119 1.00 0.00 H new ATOM 934 N ASP A 58 -3.578 -6.109 -8.401 1.00 0.00 N ATOM 935 CA ASP A 58 -3.734 -7.192 -9.359 1.00 0.00 C ATOM 936 C ASP A 58 -3.207 -8.455 -8.711 1.00 0.00 C ATOM 937 O ASP A 58 -2.067 -8.458 -8.242 1.00 0.00 O ATOM 938 CB ASP A 58 -2.927 -6.955 -10.642 1.00 0.00 C ATOM 939 CG ASP A 58 -3.450 -7.793 -11.814 1.00 0.00 C ATOM 940 OD1 ASP A 58 -4.600 -8.285 -11.747 1.00 0.00 O ATOM 941 OD2 ASP A 58 -2.694 -7.959 -12.800 1.00 0.00 O ATOM 0 H ASP A 58 -2.734 -5.553 -8.537 1.00 0.00 H new ATOM 0 HA ASP A 58 -4.788 -7.262 -9.628 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -2.968 -5.898 -10.906 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -1.880 -7.198 -10.462 1.00 0.00 H new ATOM 946 N ALA A 59 -3.988 -9.531 -8.700 1.00 0.00 N ATOM 947 CA ALA A 59 -3.499 -10.776 -8.136 1.00 0.00 C ATOM 948 C ALA A 59 -2.343 -11.348 -8.975 1.00 0.00 C ATOM 949 O ALA A 59 -1.483 -12.026 -8.422 1.00 0.00 O ATOM 950 CB ALA A 59 -4.646 -11.759 -7.928 1.00 0.00 C ATOM 0 H ALA A 59 -4.939 -9.564 -9.067 1.00 0.00 H new ATOM 0 HA ALA A 59 -3.081 -10.579 -7.149 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -4.259 -12.686 -7.505 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -5.377 -11.326 -7.245 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -5.123 -11.969 -8.885 1.00 0.00 H new ATOM 956 N LYS A 60 -2.254 -11.052 -10.278 1.00 0.00 N ATOM 957 CA LYS A 60 -1.121 -11.415 -11.128 1.00 0.00 C ATOM 958 C LYS A 60 0.148 -10.667 -10.721 1.00 0.00 C ATOM 959 O LYS A 60 1.164 -11.322 -10.489 1.00 0.00 O ATOM 960 CB LYS A 60 -1.486 -11.177 -12.605 1.00 0.00 C ATOM 961 CG LYS A 60 -1.782 -12.468 -13.383 1.00 0.00 C ATOM 962 CD LYS A 60 -2.951 -13.261 -12.789 1.00 0.00 C ATOM 963 CE LYS A 60 -3.253 -14.494 -13.639 1.00 0.00 C ATOM 964 NZ LYS A 60 -4.163 -15.408 -12.920 1.00 0.00 N ATOM 0 H LYS A 60 -2.984 -10.543 -10.777 1.00 0.00 H new ATOM 0 HA LYS A 60 -0.905 -12.475 -10.996 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -2.358 -10.525 -12.654 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -0.666 -10.649 -13.092 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -2.007 -12.219 -14.420 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -0.890 -13.095 -13.392 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -2.710 -13.565 -11.770 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -3.836 -12.627 -12.732 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -3.705 -14.190 -14.583 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -2.325 -15.012 -13.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -4.358 -16.241 -13.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -3.718 -15.712 -12.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -5.055 -14.916 -12.710 1.00 0.00 H new ATOM 978 N LYS A 61 0.110 -9.331 -10.600 1.00 0.00 N ATOM 979 CA LYS A 61 1.257 -8.577 -10.071 1.00 0.00 C ATOM 980 C LYS A 61 1.627 -9.111 -8.697 1.00 0.00 C ATOM 981 O LYS A 61 2.803 -9.369 -8.440 1.00 0.00 O ATOM 982 CB LYS A 61 0.995 -7.062 -9.989 1.00 0.00 C ATOM 983 CG LYS A 61 0.892 -6.393 -11.367 1.00 0.00 C ATOM 984 CD LYS A 61 1.848 -5.199 -11.549 1.00 0.00 C ATOM 985 CE LYS A 61 1.250 -3.899 -10.995 1.00 0.00 C ATOM 986 NZ LYS A 61 0.167 -3.357 -11.847 1.00 0.00 N ATOM 0 H LYS A 61 -0.692 -8.756 -10.858 1.00 0.00 H new ATOM 0 HA LYS A 61 2.082 -8.717 -10.769 1.00 0.00 H new ATOM 0 HB2 LYS A 61 0.071 -6.888 -9.438 1.00 0.00 H new ATOM 0 HB3 LYS A 61 1.798 -6.591 -9.422 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.101 -7.135 -12.138 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -0.132 -6.054 -11.521 1.00 0.00 H new ATOM 0 HD2 LYS A 61 2.791 -5.409 -11.045 1.00 0.00 H new ATOM 0 HD3 LYS A 61 2.074 -5.073 -12.608 1.00 0.00 H new ATOM 0 HE2 LYS A 61 0.861 -4.081 -9.993 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.039 -3.153 -10.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -0.154 -2.445 -11.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 0.523 -3.219 -12.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -0.630 -4.025 -11.863 1.00 0.00 H new ATOM 1000 N ARG A 62 0.624 -9.350 -7.850 1.00 0.00 N ATOM 1001 CA ARG A 62 0.830 -9.945 -6.531 1.00 0.00 C ATOM 1002 C ARG A 62 1.623 -11.261 -6.577 1.00 0.00 C ATOM 1003 O ARG A 62 2.375 -11.493 -5.631 1.00 0.00 O ATOM 1004 CB ARG A 62 -0.532 -10.107 -5.835 1.00 0.00 C ATOM 1005 CG ARG A 62 -0.501 -10.781 -4.462 1.00 0.00 C ATOM 1006 CD ARG A 62 0.023 -9.789 -3.433 1.00 0.00 C ATOM 1007 NE ARG A 62 0.349 -10.379 -2.126 1.00 0.00 N ATOM 1008 CZ ARG A 62 1.251 -11.331 -1.848 1.00 0.00 C ATOM 1009 NH1 ARG A 62 1.971 -11.929 -2.793 1.00 0.00 N ATOM 1010 NH2 ARG A 62 1.433 -11.676 -0.587 1.00 0.00 N ATOM 0 H ARG A 62 -0.351 -9.137 -8.060 1.00 0.00 H new ATOM 0 HA ARG A 62 1.453 -9.269 -5.946 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -0.982 -9.120 -5.725 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -1.186 -10.685 -6.488 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -1.500 -11.117 -4.185 1.00 0.00 H new ATOM 0 HG3 ARG A 62 0.136 -11.665 -4.491 1.00 0.00 H new ATOM 0 HD2 ARG A 62 0.916 -9.308 -3.833 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -0.723 -9.007 -3.288 1.00 0.00 H new ATOM 0 HE ARG A 62 -0.178 -10.018 -1.330 1.00 0.00 H new ATOM 0 HH11 ARG A 62 1.847 -11.667 -3.771 1.00 0.00 H new ATOM 0 HH12 ARG A 62 2.647 -12.649 -2.540 1.00 0.00 H new ATOM 0 HH21 ARG A 62 0.893 -11.221 0.149 1.00 0.00 H new ATOM 0 HH22 ARG A 62 2.113 -12.398 -0.349 1.00 0.00 H new ATOM 1024 N GLU A 63 1.480 -12.121 -7.595 1.00 0.00 N ATOM 1025 CA GLU A 63 2.242 -13.378 -7.669 1.00 0.00 C ATOM 1026 C GLU A 63 3.704 -13.117 -8.015 1.00 0.00 C ATOM 1027 O GLU A 63 4.588 -13.763 -7.456 1.00 0.00 O ATOM 1028 CB GLU A 63 1.688 -14.369 -8.710 1.00 0.00 C ATOM 1029 CG GLU A 63 0.224 -14.725 -8.468 1.00 0.00 C ATOM 1030 CD GLU A 63 -0.162 -16.125 -8.924 1.00 0.00 C ATOM 1031 OE1 GLU A 63 -0.195 -16.379 -10.149 1.00 0.00 O ATOM 1032 OE2 GLU A 63 -0.607 -16.925 -8.065 1.00 0.00 O ATOM 0 H GLU A 63 0.845 -11.970 -8.379 1.00 0.00 H new ATOM 0 HA GLU A 63 2.147 -13.822 -6.678 1.00 0.00 H new ATOM 0 HB2 GLU A 63 1.793 -13.939 -9.706 1.00 0.00 H new ATOM 0 HB3 GLU A 63 2.286 -15.280 -8.692 1.00 0.00 H new ATOM 0 HG2 GLU A 63 0.010 -14.630 -7.403 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.405 -14.000 -8.985 1.00 0.00 H new ATOM 1039 N LEU A 64 3.968 -12.186 -8.936 1.00 0.00 N ATOM 1040 CA LEU A 64 5.331 -11.834 -9.327 1.00 0.00 C ATOM 1041 C LEU A 64 6.048 -11.187 -8.153 1.00 0.00 C ATOM 1042 O LEU A 64 7.204 -11.494 -7.875 1.00 0.00 O ATOM 1043 CB LEU A 64 5.328 -10.883 -10.539 1.00 0.00 C ATOM 1044 CG LEU A 64 5.451 -11.586 -11.900 1.00 0.00 C ATOM 1045 CD1 LEU A 64 6.876 -12.118 -12.099 1.00 0.00 C ATOM 1046 CD2 LEU A 64 4.407 -12.695 -12.091 1.00 0.00 C ATOM 0 H LEU A 64 3.246 -11.659 -9.428 1.00 0.00 H new ATOM 0 HA LEU A 64 5.857 -12.744 -9.614 1.00 0.00 H new ATOM 0 HB2 LEU A 64 4.406 -10.302 -10.526 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.152 -10.177 -10.433 1.00 0.00 H new ATOM 0 HG LEU A 64 5.246 -10.841 -12.669 1.00 0.00 H new ATOM 0 HD11 LEU A 64 6.948 -12.613 -13.067 1.00 0.00 H new ATOM 0 HD12 LEU A 64 7.582 -11.289 -12.063 1.00 0.00 H new ATOM 0 HD13 LEU A 64 7.112 -12.831 -11.309 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.541 -13.157 -13.069 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.531 -13.449 -11.314 1.00 0.00 H new ATOM 0 HD23 LEU A 64 3.406 -12.268 -12.026 1.00 0.00 H new ATOM 1058 N TYR A 65 5.353 -10.298 -7.451 1.00 0.00 N ATOM 1059 CA TYR A 65 5.783 -9.699 -6.202 1.00 0.00 C ATOM 1060 C TYR A 65 6.165 -10.756 -5.161 1.00 0.00 C ATOM 1061 O TYR A 65 7.161 -10.577 -4.461 1.00 0.00 O ATOM 1062 CB TYR A 65 4.658 -8.785 -5.710 1.00 0.00 C ATOM 1063 CG TYR A 65 4.800 -8.404 -4.259 1.00 0.00 C ATOM 1064 CD1 TYR A 65 5.803 -7.498 -3.881 1.00 0.00 C ATOM 1065 CD2 TYR A 65 4.018 -9.049 -3.282 1.00 0.00 C ATOM 1066 CE1 TYR A 65 6.040 -7.242 -2.524 1.00 0.00 C ATOM 1067 CE2 TYR A 65 4.259 -8.806 -1.919 1.00 0.00 C ATOM 1068 CZ TYR A 65 5.282 -7.909 -1.537 1.00 0.00 C ATOM 1069 OH TYR A 65 5.550 -7.709 -0.220 1.00 0.00 O ATOM 0 H TYR A 65 4.438 -9.964 -7.753 1.00 0.00 H new ATOM 0 HA TYR A 65 6.688 -9.114 -6.364 1.00 0.00 H new ATOM 0 HB2 TYR A 65 4.641 -7.880 -6.317 1.00 0.00 H new ATOM 0 HB3 TYR A 65 3.701 -9.285 -5.856 1.00 0.00 H new ATOM 0 HD1 TYR A 65 6.392 -6.998 -4.636 1.00 0.00 H new ATOM 0 HD2 TYR A 65 3.234 -9.730 -3.580 1.00 0.00 H new ATOM 0 HE1 TYR A 65 6.802 -6.535 -2.233 1.00 0.00 H new ATOM 0 HE2 TYR A 65 3.665 -9.303 -1.166 1.00 0.00 H new ATOM 0 HH TYR A 65 5.636 -8.575 0.231 1.00 0.00 H new ATOM 1079 N ASP A 66 5.406 -11.854 -5.080 1.00 0.00 N ATOM 1080 CA ASP A 66 5.528 -12.880 -4.043 1.00 0.00 C ATOM 1081 C ASP A 66 6.948 -13.446 -3.970 1.00 0.00 C ATOM 1082 O ASP A 66 7.431 -13.752 -2.877 1.00 0.00 O ATOM 1083 CB ASP A 66 4.518 -14.008 -4.314 1.00 0.00 C ATOM 1084 CG ASP A 66 4.079 -14.750 -3.054 1.00 0.00 C ATOM 1085 OD1 ASP A 66 4.789 -15.669 -2.599 1.00 0.00 O ATOM 1086 OD2 ASP A 66 2.936 -14.478 -2.602 1.00 0.00 O ATOM 0 H ASP A 66 4.669 -12.058 -5.755 1.00 0.00 H new ATOM 0 HA ASP A 66 5.312 -12.417 -3.080 1.00 0.00 H new ATOM 0 HB2 ASP A 66 3.639 -13.588 -4.803 1.00 0.00 H new ATOM 0 HB3 ASP A 66 4.960 -14.721 -5.010 1.00 0.00 H new ATOM 1091 N LYS A 67 7.629 -13.535 -5.119 1.00 0.00 N ATOM 1092 CA LYS A 67 8.978 -14.072 -5.275 1.00 0.00 C ATOM 1093 C LYS A 67 9.719 -13.379 -6.427 1.00 0.00 C ATOM 1094 O LYS A 67 10.220 -14.041 -7.344 1.00 0.00 O ATOM 1095 CB LYS A 67 8.882 -15.592 -5.449 1.00 0.00 C ATOM 1096 CG LYS A 67 8.024 -15.991 -6.658 1.00 0.00 C ATOM 1097 CD LYS A 67 8.678 -17.102 -7.480 1.00 0.00 C ATOM 1098 CE LYS A 67 7.797 -17.353 -8.698 1.00 0.00 C ATOM 1099 NZ LYS A 67 8.078 -18.647 -9.350 1.00 0.00 N ATOM 0 H LYS A 67 7.232 -13.219 -6.004 1.00 0.00 H new ATOM 0 HA LYS A 67 9.571 -13.869 -4.383 1.00 0.00 H new ATOM 0 HB2 LYS A 67 9.884 -16.005 -5.566 1.00 0.00 H new ATOM 0 HB3 LYS A 67 8.459 -16.032 -4.546 1.00 0.00 H new ATOM 0 HG2 LYS A 67 7.044 -16.323 -6.314 1.00 0.00 H new ATOM 0 HG3 LYS A 67 7.861 -15.119 -7.291 1.00 0.00 H new ATOM 0 HD2 LYS A 67 9.682 -16.810 -7.787 1.00 0.00 H new ATOM 0 HD3 LYS A 67 8.778 -18.010 -6.886 1.00 0.00 H new ATOM 0 HE2 LYS A 67 6.750 -17.323 -8.396 1.00 0.00 H new ATOM 0 HE3 LYS A 67 7.944 -16.549 -9.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 7.451 -18.765 -10.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 9.069 -18.669 -9.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 7.912 -19.420 -8.674 1.00 0.00 H new