USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=17 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 24 LYS NZ :NH3+ -138:sc= 0.031 (180deg=0) USER MOD Set 1.2: A 53 TYR OH : rot 165:sc= 0.027 USER MOD Set 2.1: A 7 THR OG1 : rot -133:sc= 1.4 USER MOD Set 2.2: A 65 TYR OH : rot 168:sc= 2.34 USER MOD Single : A 6 THR OG1 : rot 28:sc= 0.372 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ -178:sc= 0.783 (180deg=0.782) USER MOD Single : A 17 ASN : amide:sc=-0.00299 K(o=-0.003,f=-1.2) USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.0397 USER MOD Single : A 20 GLN : amide:sc= -3.34! K(o=-3.3!,f=0.35) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot -29:sc= 0.00892 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 160:sc= -0.019 (180deg=-0.338) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HD1:sc= -0.41 X(o=-0.41,f=-0.77) USER MOD Single : A 38 LYS NZ :NH3+ 166:sc= -0.0249 (180deg=-0.219) USER MOD Single : A 39 ASN : amide:sc= -0.544 X(o=-0.54,f=-0.069) USER MOD Single : A 41 ASN : amide:sc= -0.0222 K(o=-0.022,f=-0.89) USER MOD Single : A 45 LYS NZ :NH3+ -162:sc= 1.44 (180deg=1.32) 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= 0.0595 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 SER OG : rot -23:sc= 0.19 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 172:sc=-0.00425 (180deg=-0.0911) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 78 N THR A 6 11.496 -1.873 3.243 1.00 0.00 N ATOM 79 CA THR A 6 10.499 -2.855 3.609 1.00 0.00 C ATOM 80 C THR A 6 9.509 -2.951 2.449 1.00 0.00 C ATOM 81 O THR A 6 9.241 -1.956 1.761 1.00 0.00 O ATOM 82 CB THR A 6 9.802 -2.431 4.918 1.00 0.00 C ATOM 83 OG1 THR A 6 10.685 -1.805 5.831 1.00 0.00 O ATOM 84 CG2 THR A 6 9.219 -3.658 5.616 1.00 0.00 C ATOM 0 HA THR A 6 10.949 -3.832 3.788 1.00 0.00 H new ATOM 0 HB THR A 6 9.026 -1.720 4.635 1.00 0.00 H new ATOM 0 HG1 THR A 6 11.407 -1.363 5.337 1.00 0.00 H new ATOM 0 HG21 THR A 6 8.728 -3.352 6.540 1.00 0.00 H new ATOM 0 HG22 THR A 6 8.492 -4.138 4.961 1.00 0.00 H new ATOM 0 HG23 THR A 6 10.020 -4.361 5.846 1.00 0.00 H new ATOM 92 N THR A 7 8.945 -4.138 2.240 1.00 0.00 N ATOM 93 CA THR A 7 8.050 -4.396 1.126 1.00 0.00 C ATOM 94 C THR A 7 6.728 -3.698 1.352 1.00 0.00 C ATOM 95 O THR A 7 6.376 -3.354 2.482 1.00 0.00 O ATOM 96 CB THR A 7 7.803 -5.891 0.969 1.00 0.00 C ATOM 97 OG1 THR A 7 7.301 -6.179 -0.311 1.00 0.00 O ATOM 98 CG2 THR A 7 6.816 -6.418 2.005 1.00 0.00 C ATOM 0 H THR A 7 9.099 -4.947 2.842 1.00 0.00 H new ATOM 0 HA THR A 7 8.519 -4.015 0.219 1.00 0.00 H new ATOM 0 HB THR A 7 8.765 -6.383 1.116 1.00 0.00 H new ATOM 0 HG1 THR A 7 6.534 -6.784 -0.233 1.00 0.00 H new ATOM 0 HG21 THR A 7 6.669 -7.488 1.856 1.00 0.00 H new ATOM 0 HG22 THR A 7 7.210 -6.241 3.006 1.00 0.00 H new ATOM 0 HG23 THR A 7 5.862 -5.902 1.894 1.00 0.00 H new ATOM 106 N TYR A 8 5.957 -3.648 0.280 1.00 0.00 N ATOM 107 CA TYR A 8 4.759 -2.836 0.061 1.00 0.00 C ATOM 108 C TYR A 8 3.704 -2.902 1.162 1.00 0.00 C ATOM 109 O TYR A 8 2.954 -1.945 1.346 1.00 0.00 O ATOM 110 CB TYR A 8 4.179 -3.218 -1.313 1.00 0.00 C ATOM 111 CG TYR A 8 5.087 -2.832 -2.470 1.00 0.00 C ATOM 112 CD1 TYR A 8 5.712 -1.572 -2.465 1.00 0.00 C ATOM 113 CD2 TYR A 8 5.315 -3.710 -3.549 1.00 0.00 C ATOM 114 CE1 TYR A 8 6.558 -1.199 -3.512 1.00 0.00 C ATOM 115 CE2 TYR A 8 6.180 -3.341 -4.599 1.00 0.00 C ATOM 116 CZ TYR A 8 6.813 -2.079 -4.578 1.00 0.00 C ATOM 117 OH TYR A 8 7.634 -1.667 -5.583 1.00 0.00 O ATOM 0 H TYR A 8 6.167 -4.224 -0.536 1.00 0.00 H new ATOM 0 HA TYR A 8 5.067 -1.791 0.088 1.00 0.00 H new ATOM 0 HB2 TYR A 8 4.002 -4.293 -1.340 1.00 0.00 H new ATOM 0 HB3 TYR A 8 3.211 -2.733 -1.440 1.00 0.00 H new ATOM 0 HD1 TYR A 8 5.537 -0.889 -1.647 1.00 0.00 H new ATOM 0 HD2 TYR A 8 4.824 -4.672 -3.571 1.00 0.00 H new ATOM 0 HE1 TYR A 8 7.021 -0.224 -3.502 1.00 0.00 H new ATOM 0 HE2 TYR A 8 6.358 -4.022 -5.418 1.00 0.00 H new ATOM 0 HH TYR A 8 7.719 -2.380 -6.250 1.00 0.00 H new ATOM 127 N TYR A 9 3.683 -3.979 1.940 1.00 0.00 N ATOM 128 CA TYR A 9 2.884 -4.086 3.144 1.00 0.00 C ATOM 129 C TYR A 9 3.159 -2.945 4.124 1.00 0.00 C ATOM 130 O TYR A 9 2.218 -2.296 4.581 1.00 0.00 O ATOM 131 CB TYR A 9 3.154 -5.465 3.758 1.00 0.00 C ATOM 132 CG TYR A 9 2.678 -6.590 2.859 1.00 0.00 C ATOM 133 CD1 TYR A 9 1.349 -6.603 2.393 1.00 0.00 C ATOM 134 CD2 TYR A 9 3.565 -7.606 2.455 1.00 0.00 C ATOM 135 CE1 TYR A 9 0.937 -7.574 1.471 1.00 0.00 C ATOM 136 CE2 TYR A 9 3.154 -8.585 1.538 1.00 0.00 C ATOM 137 CZ TYR A 9 1.850 -8.542 1.011 1.00 0.00 C ATOM 138 OH TYR A 9 1.429 -9.471 0.118 1.00 0.00 O ATOM 0 H TYR A 9 4.233 -4.815 1.743 1.00 0.00 H new ATOM 0 HA TYR A 9 1.826 -3.994 2.899 1.00 0.00 H new ATOM 0 HB2 TYR A 9 4.222 -5.576 3.944 1.00 0.00 H new ATOM 0 HB3 TYR A 9 2.654 -5.536 4.724 1.00 0.00 H new ATOM 0 HD1 TYR A 9 0.646 -5.863 2.747 1.00 0.00 H new ATOM 0 HD2 TYR A 9 4.568 -7.632 2.854 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -0.082 -7.580 1.113 1.00 0.00 H new ATOM 0 HE2 TYR A 9 3.835 -9.368 1.238 1.00 0.00 H new ATOM 0 HH TYR A 9 2.172 -10.070 -0.106 1.00 0.00 H new ATOM 148 N ASP A 10 4.429 -2.683 4.447 1.00 0.00 N ATOM 149 CA ASP A 10 4.763 -1.816 5.574 1.00 0.00 C ATOM 150 C ASP A 10 4.206 -0.419 5.378 1.00 0.00 C ATOM 151 O ASP A 10 3.598 0.137 6.299 1.00 0.00 O ATOM 152 CB ASP A 10 6.264 -1.688 5.817 1.00 0.00 C ATOM 153 CG ASP A 10 6.481 -1.271 7.281 1.00 0.00 C ATOM 154 OD1 ASP A 10 6.319 -2.126 8.180 1.00 0.00 O ATOM 155 OD2 ASP A 10 6.764 -0.074 7.540 1.00 0.00 O ATOM 0 H ASP A 10 5.235 -3.057 3.947 1.00 0.00 H new ATOM 0 HA ASP A 10 4.310 -2.297 6.441 1.00 0.00 H new ATOM 0 HB2 ASP A 10 6.764 -2.635 5.614 1.00 0.00 H new ATOM 0 HB3 ASP A 10 6.696 -0.948 5.143 1.00 0.00 H new ATOM 160 N VAL A 11 4.404 0.129 4.175 1.00 0.00 N ATOM 161 CA VAL A 11 3.966 1.454 3.767 1.00 0.00 C ATOM 162 C VAL A 11 2.480 1.635 4.032 1.00 0.00 C ATOM 163 O VAL A 11 2.033 2.700 4.463 1.00 0.00 O ATOM 164 CB VAL A 11 4.284 1.647 2.264 1.00 0.00 C ATOM 165 CG1 VAL A 11 3.569 2.827 1.582 1.00 0.00 C ATOM 166 CG2 VAL A 11 5.783 1.847 2.040 1.00 0.00 C ATOM 0 H VAL A 11 4.896 -0.366 3.431 1.00 0.00 H new ATOM 0 HA VAL A 11 4.497 2.207 4.349 1.00 0.00 H new ATOM 0 HB VAL A 11 3.914 0.727 1.811 1.00 0.00 H new ATOM 0 HG11 VAL A 11 3.861 2.872 0.533 1.00 0.00 H new ATOM 0 HG12 VAL A 11 2.490 2.689 1.652 1.00 0.00 H new ATOM 0 HG13 VAL A 11 3.849 3.757 2.077 1.00 0.00 H new ATOM 0 HG21 VAL A 11 5.977 1.980 0.976 1.00 0.00 H new ATOM 0 HG22 VAL A 11 6.117 2.731 2.583 1.00 0.00 H new ATOM 0 HG23 VAL A 11 6.325 0.973 2.401 1.00 0.00 H new ATOM 176 N LEU A 12 1.703 0.591 3.773 1.00 0.00 N ATOM 177 CA LEU A 12 0.256 0.633 3.779 1.00 0.00 C ATOM 178 C LEU A 12 -0.321 0.503 5.186 1.00 0.00 C ATOM 179 O LEU A 12 -1.523 0.270 5.326 1.00 0.00 O ATOM 180 CB LEU A 12 -0.258 -0.469 2.839 1.00 0.00 C ATOM 181 CG LEU A 12 0.101 -0.185 1.371 1.00 0.00 C ATOM 182 CD1 LEU A 12 -0.186 -1.410 0.510 1.00 0.00 C ATOM 183 CD2 LEU A 12 -0.705 1.000 0.836 1.00 0.00 C ATOM 0 H LEU A 12 2.077 -0.331 3.548 1.00 0.00 H new ATOM 0 HA LEU A 12 -0.080 1.606 3.421 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.166 -1.428 3.137 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -1.340 -0.555 2.938 1.00 0.00 H new ATOM 0 HG LEU A 12 1.163 0.054 1.326 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.073 -1.195 -0.527 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.409 -2.252 0.865 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.245 -1.661 0.575 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.435 1.184 -0.204 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.770 0.775 0.901 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.485 1.887 1.430 1.00 0.00 H new ATOM 195 N GLY A 13 0.507 0.626 6.231 1.00 0.00 N ATOM 196 CA GLY A 13 0.068 0.458 7.607 1.00 0.00 C ATOM 197 C GLY A 13 -0.556 -0.918 7.817 1.00 0.00 C ATOM 198 O GLY A 13 -1.428 -1.084 8.679 1.00 0.00 O ATOM 0 H GLY A 13 1.499 0.845 6.138 1.00 0.00 H new ATOM 0 HA2 GLY A 13 0.915 0.584 8.281 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -0.657 1.232 7.858 1.00 0.00 H new ATOM 202 N VAL A 14 -0.134 -1.912 7.032 1.00 0.00 N ATOM 203 CA VAL A 14 -0.569 -3.283 7.170 1.00 0.00 C ATOM 204 C VAL A 14 0.683 -4.111 7.462 1.00 0.00 C ATOM 205 O VAL A 14 1.802 -3.756 7.080 1.00 0.00 O ATOM 206 CB VAL A 14 -1.429 -3.685 5.945 1.00 0.00 C ATOM 207 CG1 VAL A 14 -0.651 -4.179 4.717 1.00 0.00 C ATOM 208 CG2 VAL A 14 -2.486 -4.718 6.348 1.00 0.00 C ATOM 0 H VAL A 14 0.532 -1.773 6.272 1.00 0.00 H new ATOM 0 HA VAL A 14 -1.247 -3.461 8.005 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.898 -2.755 5.625 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -1.351 -4.433 3.921 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.022 -3.394 4.372 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.071 -5.062 4.985 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -3.081 -4.989 5.476 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -1.994 -5.607 6.742 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -3.136 -4.294 7.113 1.00 0.00 H new ATOM 218 N LYS A 15 0.503 -5.202 8.195 1.00 0.00 N ATOM 219 CA LYS A 15 1.542 -6.206 8.380 1.00 0.00 C ATOM 220 C LYS A 15 1.699 -7.039 7.104 1.00 0.00 C ATOM 221 O LYS A 15 0.749 -7.133 6.323 1.00 0.00 O ATOM 222 CB LYS A 15 1.228 -7.076 9.609 1.00 0.00 C ATOM 223 CG LYS A 15 -0.242 -7.344 9.954 1.00 0.00 C ATOM 224 CD LYS A 15 -1.085 -7.959 8.832 1.00 0.00 C ATOM 225 CE LYS A 15 -2.521 -8.241 9.288 1.00 0.00 C ATOM 226 NZ LYS A 15 -2.678 -9.567 9.917 1.00 0.00 N ATOM 0 H LYS A 15 -0.369 -5.416 8.679 1.00 0.00 H new ATOM 0 HA LYS A 15 2.496 -5.714 8.568 1.00 0.00 H new ATOM 0 HB2 LYS A 15 1.717 -8.040 9.468 1.00 0.00 H new ATOM 0 HB3 LYS A 15 1.693 -6.607 10.476 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -0.278 -8.009 10.817 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -0.703 -6.404 10.256 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -1.101 -7.283 7.977 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -0.622 -8.887 8.496 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -2.829 -7.471 9.995 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -3.189 -8.171 8.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -3.675 -9.714 10.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -2.380 -10.306 9.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -2.090 -9.617 10.773 1.00 0.00 H new ATOM 240 N PRO A 16 2.830 -7.739 6.908 1.00 0.00 N ATOM 241 CA PRO A 16 2.999 -8.625 5.766 1.00 0.00 C ATOM 242 C PRO A 16 2.012 -9.797 5.779 1.00 0.00 C ATOM 243 O PRO A 16 1.667 -10.317 4.722 1.00 0.00 O ATOM 244 CB PRO A 16 4.471 -9.061 5.783 1.00 0.00 C ATOM 245 CG PRO A 16 4.862 -8.909 7.251 1.00 0.00 C ATOM 246 CD PRO A 16 4.050 -7.697 7.697 1.00 0.00 C ATOM 0 HA PRO A 16 2.768 -8.114 4.831 1.00 0.00 H new ATOM 0 HB2 PRO A 16 4.591 -10.088 5.438 1.00 0.00 H new ATOM 0 HB3 PRO A 16 5.084 -8.434 5.136 1.00 0.00 H new ATOM 0 HG2 PRO A 16 4.612 -9.798 7.830 1.00 0.00 H new ATOM 0 HG3 PRO A 16 5.933 -8.743 7.369 1.00 0.00 H new ATOM 0 HD2 PRO A 16 3.830 -7.742 8.764 1.00 0.00 H new ATOM 0 HD3 PRO A 16 4.598 -6.771 7.524 1.00 0.00 H new ATOM 254 N ASN A 17 1.489 -10.188 6.944 1.00 0.00 N ATOM 255 CA ASN A 17 0.557 -11.301 7.140 1.00 0.00 C ATOM 256 C ASN A 17 -0.887 -10.860 6.836 1.00 0.00 C ATOM 257 O ASN A 17 -1.798 -11.123 7.625 1.00 0.00 O ATOM 258 CB ASN A 17 0.709 -11.847 8.576 1.00 0.00 C ATOM 259 CG ASN A 17 2.005 -12.628 8.786 1.00 0.00 C ATOM 260 OD1 ASN A 17 3.069 -12.272 8.282 1.00 0.00 O ATOM 261 ND2 ASN A 17 1.949 -13.729 9.510 1.00 0.00 N ATOM 0 H ASN A 17 1.715 -9.714 7.818 1.00 0.00 H new ATOM 0 HA ASN A 17 0.793 -12.106 6.444 1.00 0.00 H new ATOM 0 HB2 ASN A 17 0.675 -11.016 9.280 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -0.139 -12.493 8.804 1.00 0.00 H new ATOM 0 HD21 ASN A 17 2.790 -14.288 9.654 1.00 0.00 H new ATOM 0 HD22 ASN A 17 1.065 -14.021 9.926 1.00 0.00 H new ATOM 268 N ALA A 18 -1.080 -10.093 5.762 1.00 0.00 N ATOM 269 CA ALA A 18 -2.367 -9.551 5.322 1.00 0.00 C ATOM 270 C ALA A 18 -2.958 -10.344 4.150 1.00 0.00 C ATOM 271 O ALA A 18 -2.240 -11.032 3.425 1.00 0.00 O ATOM 272 CB ALA A 18 -2.173 -8.093 4.899 1.00 0.00 C ATOM 0 H ALA A 18 -0.312 -9.821 5.149 1.00 0.00 H new ATOM 0 HA ALA A 18 -3.066 -9.625 6.155 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -3.126 -7.680 4.569 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -1.800 -7.515 5.745 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -1.454 -8.044 4.081 1.00 0.00 H new ATOM 278 N THR A 19 -4.256 -10.177 3.916 1.00 0.00 N ATOM 279 CA THR A 19 -5.009 -10.693 2.777 1.00 0.00 C ATOM 280 C THR A 19 -5.316 -9.545 1.799 1.00 0.00 C ATOM 281 O THR A 19 -5.150 -8.373 2.139 1.00 0.00 O ATOM 282 CB THR A 19 -6.276 -11.386 3.322 1.00 0.00 C ATOM 283 OG1 THR A 19 -6.789 -10.724 4.454 1.00 0.00 O ATOM 284 CG2 THR A 19 -5.964 -12.826 3.737 1.00 0.00 C ATOM 0 H THR A 19 -4.847 -9.645 4.556 1.00 0.00 H new ATOM 0 HA THR A 19 -4.437 -11.430 2.213 1.00 0.00 H new ATOM 0 HB THR A 19 -7.011 -11.362 2.518 1.00 0.00 H new ATOM 0 HG1 THR A 19 -7.591 -11.190 4.770 1.00 0.00 H new ATOM 0 HG21 THR A 19 -6.869 -13.299 4.119 1.00 0.00 H new ATOM 0 HG22 THR A 19 -5.600 -13.383 2.873 1.00 0.00 H new ATOM 0 HG23 THR A 19 -5.200 -12.823 4.515 1.00 0.00 H new ATOM 292 N GLN A 20 -5.780 -9.838 0.576 1.00 0.00 N ATOM 293 CA GLN A 20 -6.134 -8.802 -0.403 1.00 0.00 C ATOM 294 C GLN A 20 -7.246 -7.902 0.134 1.00 0.00 C ATOM 295 O GLN A 20 -7.290 -6.706 -0.152 1.00 0.00 O ATOM 296 CB GLN A 20 -6.620 -9.429 -1.723 1.00 0.00 C ATOM 297 CG GLN A 20 -5.617 -10.338 -2.449 1.00 0.00 C ATOM 298 CD GLN A 20 -4.610 -9.575 -3.305 1.00 0.00 C ATOM 299 OE1 GLN A 20 -4.461 -9.833 -4.490 1.00 0.00 O ATOM 300 NE2 GLN A 20 -3.903 -8.595 -2.756 1.00 0.00 N ATOM 0 H GLN A 20 -5.919 -10.791 0.240 1.00 0.00 H new ATOM 0 HA GLN A 20 -5.234 -8.215 -0.584 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -7.520 -10.008 -1.517 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -6.906 -8.624 -2.400 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -5.078 -10.932 -1.711 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -6.164 -11.036 -3.082 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -4.021 -8.373 -1.768 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -3.242 -8.064 -3.323 1.00 0.00 H new ATOM 309 N GLU A 21 -8.145 -8.483 0.920 1.00 0.00 N ATOM 310 CA GLU A 21 -9.286 -7.793 1.497 1.00 0.00 C ATOM 311 C GLU A 21 -8.807 -6.812 2.567 1.00 0.00 C ATOM 312 O GLU A 21 -9.261 -5.666 2.634 1.00 0.00 O ATOM 313 CB GLU A 21 -10.260 -8.831 2.059 1.00 0.00 C ATOM 314 CG GLU A 21 -10.600 -9.858 0.976 1.00 0.00 C ATOM 315 CD GLU A 21 -11.843 -10.653 1.317 1.00 0.00 C ATOM 316 OE1 GLU A 21 -11.789 -11.489 2.246 1.00 0.00 O ATOM 317 OE2 GLU A 21 -12.872 -10.411 0.646 1.00 0.00 O ATOM 0 H GLU A 21 -8.097 -9.469 1.178 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.810 -7.213 0.737 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.817 -9.330 2.921 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -11.169 -8.340 2.407 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -10.747 -9.346 0.025 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -9.759 -10.539 0.845 1.00 0.00 H new ATOM 324 N GLU A 22 -7.835 -7.250 3.368 1.00 0.00 N ATOM 325 CA GLU A 22 -7.191 -6.435 4.379 1.00 0.00 C ATOM 326 C GLU A 22 -6.425 -5.292 3.728 1.00 0.00 C ATOM 327 O GLU A 22 -6.433 -4.197 4.280 1.00 0.00 O ATOM 328 CB GLU A 22 -6.257 -7.301 5.231 1.00 0.00 C ATOM 329 CG GLU A 22 -7.066 -8.222 6.146 1.00 0.00 C ATOM 330 CD GLU A 22 -7.691 -7.428 7.287 1.00 0.00 C ATOM 331 OE1 GLU A 22 -6.915 -7.085 8.211 1.00 0.00 O ATOM 332 OE2 GLU A 22 -8.910 -7.151 7.241 1.00 0.00 O ATOM 0 H GLU A 22 -7.471 -8.202 3.325 1.00 0.00 H new ATOM 0 HA GLU A 22 -7.954 -6.005 5.028 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -5.613 -7.896 4.584 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -5.606 -6.664 5.830 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -7.847 -8.720 5.572 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -6.420 -9.002 6.549 1.00 0.00 H new ATOM 339 N LEU A 23 -5.817 -5.495 2.552 1.00 0.00 N ATOM 340 CA LEU A 23 -5.198 -4.418 1.793 1.00 0.00 C ATOM 341 C LEU A 23 -6.223 -3.335 1.481 1.00 0.00 C ATOM 342 O LEU A 23 -5.995 -2.172 1.815 1.00 0.00 O ATOM 343 CB LEU A 23 -4.534 -4.951 0.506 1.00 0.00 C ATOM 344 CG LEU A 23 -3.041 -5.274 0.626 1.00 0.00 C ATOM 345 CD1 LEU A 23 -2.214 -4.011 0.836 1.00 0.00 C ATOM 346 CD2 LEU A 23 -2.720 -6.278 1.723 1.00 0.00 C ATOM 0 H LEU A 23 -5.744 -6.410 2.107 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.410 -3.976 2.403 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.060 -5.853 0.192 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.667 -4.213 -0.285 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.772 -5.736 -0.324 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.160 -4.276 0.917 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.355 -3.339 -0.010 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.535 -3.514 1.752 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.645 -6.458 1.749 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.045 -5.882 2.685 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.240 -7.215 1.522 1.00 0.00 H new ATOM 358 N LYS A 24 -7.358 -3.676 0.861 1.00 0.00 N ATOM 359 CA LYS A 24 -8.355 -2.653 0.524 1.00 0.00 C ATOM 360 C LYS A 24 -8.883 -1.933 1.763 1.00 0.00 C ATOM 361 O LYS A 24 -8.951 -0.702 1.765 1.00 0.00 O ATOM 362 CB LYS A 24 -9.456 -3.166 -0.416 1.00 0.00 C ATOM 363 CG LYS A 24 -10.051 -4.568 -0.228 1.00 0.00 C ATOM 364 CD LYS A 24 -10.746 -5.076 -1.508 1.00 0.00 C ATOM 365 CE LYS A 24 -9.723 -5.481 -2.594 1.00 0.00 C ATOM 366 NZ LYS A 24 -9.988 -4.862 -3.915 1.00 0.00 N ATOM 0 H LYS A 24 -7.606 -4.627 0.588 1.00 0.00 H new ATOM 0 HA LYS A 24 -7.834 -1.893 -0.059 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -10.282 -2.456 -0.362 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -9.061 -3.118 -1.431 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -9.260 -5.263 0.055 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -10.769 -4.550 0.592 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -11.376 -5.932 -1.265 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -11.402 -4.298 -1.899 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -8.723 -5.199 -2.263 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -9.729 -6.566 -2.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -9.845 -5.569 -4.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -10.969 -4.518 -3.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -9.337 -4.065 -4.062 1.00 0.00 H new ATOM 380 N LYS A 25 -9.189 -2.668 2.831 1.00 0.00 N ATOM 381 CA LYS A 25 -9.539 -2.090 4.136 1.00 0.00 C ATOM 382 C LYS A 25 -8.446 -1.148 4.672 1.00 0.00 C ATOM 383 O LYS A 25 -8.766 -0.068 5.175 1.00 0.00 O ATOM 384 CB LYS A 25 -9.833 -3.213 5.143 1.00 0.00 C ATOM 385 CG LYS A 25 -11.195 -3.899 4.926 1.00 0.00 C ATOM 386 CD LYS A 25 -12.131 -3.672 6.125 1.00 0.00 C ATOM 387 CE LYS A 25 -13.460 -4.421 5.977 1.00 0.00 C ATOM 388 NZ LYS A 25 -14.330 -4.241 7.159 1.00 0.00 N ATOM 0 H LYS A 25 -9.202 -3.688 2.819 1.00 0.00 H new ATOM 0 HA LYS A 25 -10.435 -1.484 3.999 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -9.044 -3.963 5.078 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -9.800 -2.802 6.152 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -11.660 -3.511 4.020 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -11.046 -4.968 4.775 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -11.633 -3.998 7.038 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -12.328 -2.605 6.232 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -13.979 -4.066 5.087 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -13.264 -5.483 5.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -15.218 -4.763 7.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -13.845 -4.603 8.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -14.539 -3.230 7.286 1.00 0.00 H new ATOM 402 N ALA A 26 -7.168 -1.537 4.607 1.00 0.00 N ATOM 403 CA ALA A 26 -6.044 -0.753 5.124 1.00 0.00 C ATOM 404 C ALA A 26 -5.809 0.496 4.275 1.00 0.00 C ATOM 405 O ALA A 26 -5.430 1.540 4.792 1.00 0.00 O ATOM 406 CB ALA A 26 -4.767 -1.602 5.164 1.00 0.00 C ATOM 0 H ALA A 26 -6.882 -2.421 4.186 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.295 -0.441 6.138 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -3.943 -1.002 5.551 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -4.924 -2.464 5.812 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -4.526 -1.944 4.157 1.00 0.00 H new ATOM 412 N TYR A 27 -6.048 0.397 2.970 1.00 0.00 N ATOM 413 CA TYR A 27 -5.946 1.502 2.041 1.00 0.00 C ATOM 414 C TYR A 27 -7.011 2.530 2.403 1.00 0.00 C ATOM 415 O TYR A 27 -6.673 3.679 2.671 1.00 0.00 O ATOM 416 CB TYR A 27 -6.069 1.021 0.587 1.00 0.00 C ATOM 417 CG TYR A 27 -5.972 2.175 -0.385 1.00 0.00 C ATOM 418 CD1 TYR A 27 -4.718 2.676 -0.771 1.00 0.00 C ATOM 419 CD2 TYR A 27 -7.144 2.811 -0.817 1.00 0.00 C ATOM 420 CE1 TYR A 27 -4.630 3.842 -1.555 1.00 0.00 C ATOM 421 CE2 TYR A 27 -7.064 3.951 -1.631 1.00 0.00 C ATOM 422 CZ TYR A 27 -5.810 4.489 -1.988 1.00 0.00 C ATOM 423 OH TYR A 27 -5.740 5.614 -2.749 1.00 0.00 O ATOM 0 H TYR A 27 -6.324 -0.478 2.525 1.00 0.00 H new ATOM 0 HA TYR A 27 -4.963 1.967 2.118 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -5.283 0.297 0.374 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -7.021 0.508 0.451 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -3.817 2.165 -0.465 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -8.108 2.424 -0.523 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -3.663 4.241 -1.825 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -7.969 4.420 -1.987 1.00 0.00 H new ATOM 0 HH TYR A 27 -4.915 6.100 -2.539 1.00 0.00 H new ATOM 433 N ARG A 28 -8.290 2.129 2.468 1.00 0.00 N ATOM 434 CA ARG A 28 -9.404 3.047 2.684 1.00 0.00 C ATOM 435 C ARG A 28 -9.186 3.914 3.927 1.00 0.00 C ATOM 436 O ARG A 28 -9.251 5.139 3.826 1.00 0.00 O ATOM 437 CB ARG A 28 -10.739 2.276 2.718 1.00 0.00 C ATOM 438 CG ARG A 28 -11.248 1.898 1.310 1.00 0.00 C ATOM 439 CD ARG A 28 -12.780 1.822 1.184 1.00 0.00 C ATOM 440 NE ARG A 28 -13.353 0.579 1.736 1.00 0.00 N ATOM 441 CZ ARG A 28 -13.820 -0.464 1.028 1.00 0.00 C ATOM 442 NH1 ARG A 28 -13.675 -0.532 -0.290 1.00 0.00 N ATOM 443 NH2 ARG A 28 -14.422 -1.468 1.655 1.00 0.00 N ATOM 0 H ARG A 28 -8.575 1.154 2.371 1.00 0.00 H new ATOM 0 HA ARG A 28 -9.453 3.738 1.842 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -10.615 1.369 3.310 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -11.492 2.884 3.220 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -10.873 2.629 0.594 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -10.825 0.933 1.032 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -13.222 2.676 1.697 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -13.055 1.904 0.133 1.00 0.00 H new ATOM 0 HE ARG A 28 -13.399 0.504 2.752 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -13.199 0.219 -0.790 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -14.039 -1.335 -0.802 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -14.528 -1.445 2.669 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -14.778 -2.262 1.122 1.00 0.00 H new ATOM 457 N LYS A 29 -8.864 3.316 5.082 1.00 0.00 N ATOM 458 CA LYS A 29 -8.639 4.077 6.320 1.00 0.00 C ATOM 459 C LYS A 29 -7.498 5.106 6.203 1.00 0.00 C ATOM 460 O LYS A 29 -7.475 6.056 6.985 1.00 0.00 O ATOM 461 CB LYS A 29 -8.410 3.125 7.518 1.00 0.00 C ATOM 462 CG LYS A 29 -7.065 2.393 7.404 1.00 0.00 C ATOM 463 CD LYS A 29 -6.730 1.389 8.512 1.00 0.00 C ATOM 464 CE LYS A 29 -5.240 1.432 8.902 1.00 0.00 C ATOM 465 NZ LYS A 29 -4.846 2.626 9.680 1.00 0.00 N ATOM 0 H LYS A 29 -8.753 2.307 5.186 1.00 0.00 H new ATOM 0 HA LYS A 29 -9.548 4.652 6.497 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -8.438 3.694 8.447 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -9.219 2.396 7.565 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -7.045 1.866 6.450 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -6.273 3.141 7.372 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -7.340 1.601 9.390 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -6.988 0.384 8.180 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -5.003 0.541 9.483 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -4.638 1.390 7.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -3.831 2.577 9.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -5.038 3.483 9.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -5.392 2.659 10.565 1.00 0.00 H new ATOM 479 N LEU A 30 -6.528 4.909 5.301 1.00 0.00 N ATOM 480 CA LEU A 30 -5.369 5.786 5.151 1.00 0.00 C ATOM 481 C LEU A 30 -5.619 6.820 4.059 1.00 0.00 C ATOM 482 O LEU A 30 -5.274 7.980 4.246 1.00 0.00 O ATOM 483 CB LEU A 30 -4.093 4.982 4.863 1.00 0.00 C ATOM 484 CG LEU A 30 -3.596 4.124 6.042 1.00 0.00 C ATOM 485 CD1 LEU A 30 -2.479 3.200 5.566 1.00 0.00 C ATOM 486 CD2 LEU A 30 -3.073 4.927 7.241 1.00 0.00 C ATOM 0 H LEU A 30 -6.530 4.125 4.649 1.00 0.00 H new ATOM 0 HA LEU A 30 -5.220 6.311 6.095 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -4.275 4.331 4.008 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -3.301 5.673 4.574 1.00 0.00 H new ATOM 0 HG LEU A 30 -4.470 3.571 6.387 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.128 2.593 6.401 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.857 2.549 4.778 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.653 3.797 5.179 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.745 4.242 8.023 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -2.234 5.547 6.926 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.869 5.564 7.627 1.00 0.00 H new ATOM 498 N ALA A 31 -6.253 6.447 2.948 1.00 0.00 N ATOM 499 CA ALA A 31 -6.628 7.378 1.888 1.00 0.00 C ATOM 500 C ALA A 31 -7.573 8.458 2.418 1.00 0.00 C ATOM 501 O ALA A 31 -7.415 9.628 2.085 1.00 0.00 O ATOM 502 CB ALA A 31 -7.273 6.600 0.741 1.00 0.00 C ATOM 0 H ALA A 31 -6.522 5.482 2.758 1.00 0.00 H new ATOM 0 HA ALA A 31 -5.734 7.881 1.520 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -7.555 7.291 -0.054 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -6.563 5.870 0.352 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.161 6.084 1.106 1.00 0.00 H new ATOM 508 N LEU A 32 -8.510 8.076 3.293 1.00 0.00 N ATOM 509 CA LEU A 32 -9.418 9.009 3.954 1.00 0.00 C ATOM 510 C LEU A 32 -8.686 10.015 4.853 1.00 0.00 C ATOM 511 O LEU A 32 -9.262 11.057 5.164 1.00 0.00 O ATOM 512 CB LEU A 32 -10.459 8.216 4.772 1.00 0.00 C ATOM 513 CG LEU A 32 -11.610 7.668 3.903 1.00 0.00 C ATOM 514 CD1 LEU A 32 -12.320 6.498 4.597 1.00 0.00 C ATOM 515 CD2 LEU A 32 -12.638 8.765 3.600 1.00 0.00 C ATOM 0 H LEU A 32 -8.657 7.103 3.562 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.915 9.591 3.178 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.963 7.386 5.276 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -10.871 8.860 5.549 1.00 0.00 H new ATOM 0 HG LEU A 32 -11.169 7.317 2.970 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -13.126 6.133 3.961 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -11.606 5.694 4.776 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -12.733 6.835 5.548 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -13.439 8.353 2.986 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -13.054 9.142 4.534 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -12.153 9.580 3.064 1.00 0.00 H new ATOM 527 N LYS A 33 -7.455 9.723 5.290 1.00 0.00 N ATOM 528 CA LYS A 33 -6.610 10.614 6.067 1.00 0.00 C ATOM 529 C LYS A 33 -5.795 11.472 5.127 1.00 0.00 C ATOM 530 O LYS A 33 -5.934 12.690 5.130 1.00 0.00 O ATOM 531 CB LYS A 33 -5.664 9.769 6.934 1.00 0.00 C ATOM 532 CG LYS A 33 -6.042 9.884 8.404 1.00 0.00 C ATOM 533 CD LYS A 33 -5.613 8.679 9.247 1.00 0.00 C ATOM 534 CE LYS A 33 -5.271 9.109 10.678 1.00 0.00 C ATOM 535 NZ LYS A 33 -6.244 10.059 11.265 1.00 0.00 N ATOM 0 H LYS A 33 -7.011 8.824 5.101 1.00 0.00 H new ATOM 0 HA LYS A 33 -7.225 11.252 6.702 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -5.709 8.726 6.621 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -4.636 10.101 6.790 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -5.588 10.785 8.817 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -7.122 10.006 8.484 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -6.414 7.940 9.266 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -4.747 8.200 8.790 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -5.216 8.223 11.310 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -4.282 9.567 10.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -6.159 10.047 12.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -6.048 11.018 10.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -7.208 9.780 10.993 1.00 0.00 H new ATOM 549 N TYR A 34 -4.939 10.818 4.344 1.00 0.00 N ATOM 550 CA TYR A 34 -3.868 11.439 3.591 1.00 0.00 C ATOM 551 C TYR A 34 -4.383 12.185 2.351 1.00 0.00 C ATOM 552 O TYR A 34 -3.616 12.468 1.430 1.00 0.00 O ATOM 553 CB TYR A 34 -2.810 10.379 3.239 1.00 0.00 C ATOM 554 CG TYR A 34 -2.056 9.861 4.449 1.00 0.00 C ATOM 555 CD1 TYR A 34 -1.296 10.754 5.222 1.00 0.00 C ATOM 556 CD2 TYR A 34 -2.085 8.500 4.803 1.00 0.00 C ATOM 557 CE1 TYR A 34 -0.582 10.298 6.338 1.00 0.00 C ATOM 558 CE2 TYR A 34 -1.350 8.036 5.907 1.00 0.00 C ATOM 559 CZ TYR A 34 -0.614 8.939 6.703 1.00 0.00 C ATOM 560 OH TYR A 34 0.076 8.519 7.798 1.00 0.00 O ATOM 0 H TYR A 34 -4.979 9.807 4.217 1.00 0.00 H new ATOM 0 HA TYR A 34 -3.401 12.202 4.214 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -3.296 9.543 2.737 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -2.099 10.806 2.532 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -1.262 11.800 4.954 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -2.676 7.807 4.222 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -0.002 10.996 6.924 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -1.348 6.983 6.147 1.00 0.00 H new ATOM 0 HH TYR A 34 -0.050 7.554 7.914 1.00 0.00 H new ATOM 570 N HIS A 35 -5.688 12.454 2.287 1.00 0.00 N ATOM 571 CA HIS A 35 -6.307 13.070 1.141 1.00 0.00 C ATOM 572 C HIS A 35 -5.746 14.490 1.007 1.00 0.00 C ATOM 573 O HIS A 35 -5.634 15.193 2.016 1.00 0.00 O ATOM 574 CB HIS A 35 -7.832 13.073 1.366 1.00 0.00 C ATOM 575 CG HIS A 35 -8.598 12.778 0.109 1.00 0.00 C ATOM 576 ND1 HIS A 35 -9.460 13.623 -0.554 1.00 0.00 N ATOM 577 CD2 HIS A 35 -8.533 11.606 -0.593 1.00 0.00 C ATOM 578 CE1 HIS A 35 -9.872 12.988 -1.664 1.00 0.00 C ATOM 579 NE2 HIS A 35 -9.351 11.750 -1.714 1.00 0.00 N ATOM 0 H HIS A 35 -6.340 12.244 3.043 1.00 0.00 H new ATOM 0 HA HIS A 35 -6.098 12.529 0.218 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -8.086 12.333 2.125 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -8.137 14.045 1.754 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -7.956 10.732 -0.329 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -10.528 13.412 -2.410 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -9.521 11.049 -2.435 1.00 0.00 H new ATOM 587 N PRO A 36 -5.525 14.991 -0.217 1.00 0.00 N ATOM 588 CA PRO A 36 -4.899 16.293 -0.414 1.00 0.00 C ATOM 589 C PRO A 36 -5.836 17.398 0.060 1.00 0.00 C ATOM 590 O PRO A 36 -5.434 18.341 0.731 1.00 0.00 O ATOM 591 CB PRO A 36 -4.633 16.379 -1.918 1.00 0.00 C ATOM 592 CG PRO A 36 -5.623 15.400 -2.552 1.00 0.00 C ATOM 593 CD PRO A 36 -5.760 14.324 -1.485 1.00 0.00 C ATOM 0 HA PRO A 36 -3.977 16.412 0.155 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -4.788 17.392 -2.289 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -3.604 16.107 -2.153 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -6.579 15.876 -2.772 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -5.246 14.994 -3.491 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -6.751 13.872 -1.511 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -5.039 13.522 -1.644 1.00 0.00 H new ATOM 601 N ASP A 37 -7.116 17.204 -0.241 1.00 0.00 N ATOM 602 CA ASP A 37 -8.245 18.082 -0.005 1.00 0.00 C ATOM 603 C ASP A 37 -8.344 18.566 1.445 1.00 0.00 C ATOM 604 O ASP A 37 -8.808 19.679 1.691 1.00 0.00 O ATOM 605 CB ASP A 37 -9.461 17.248 -0.405 1.00 0.00 C ATOM 606 CG ASP A 37 -10.758 18.030 -0.522 1.00 0.00 C ATOM 607 OD1 ASP A 37 -10.882 18.816 -1.482 1.00 0.00 O ATOM 608 OD2 ASP A 37 -11.729 17.691 0.199 1.00 0.00 O ATOM 0 H ASP A 37 -7.412 16.343 -0.701 1.00 0.00 H new ATOM 0 HA ASP A 37 -8.155 19.003 -0.580 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -9.256 16.767 -1.361 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -9.597 16.454 0.329 1.00 0.00 H new ATOM 613 N LYS A 38 -7.891 17.760 2.414 1.00 0.00 N ATOM 614 CA LYS A 38 -7.911 18.082 3.839 1.00 0.00 C ATOM 615 C LYS A 38 -6.563 17.920 4.530 1.00 0.00 C ATOM 616 O LYS A 38 -6.486 18.189 5.733 1.00 0.00 O ATOM 617 CB LYS A 38 -8.959 17.197 4.526 1.00 0.00 C ATOM 618 CG LYS A 38 -10.393 17.583 4.164 1.00 0.00 C ATOM 619 CD LYS A 38 -10.727 18.993 4.687 1.00 0.00 C ATOM 620 CE LYS A 38 -12.212 19.298 4.873 1.00 0.00 C ATOM 621 NZ LYS A 38 -12.856 18.398 5.851 1.00 0.00 N ATOM 0 H LYS A 38 -7.491 16.842 2.219 1.00 0.00 H new ATOM 0 HA LYS A 38 -8.163 19.139 3.925 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -8.787 16.157 4.249 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -8.832 17.264 5.606 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -10.521 17.551 3.082 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -11.088 16.858 4.588 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -10.224 19.134 5.644 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -10.309 19.725 3.996 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -12.329 20.330 5.202 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -12.721 19.210 3.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -13.784 18.784 6.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -12.982 17.457 5.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -12.256 18.318 6.697 1.00 0.00 H new ATOM 635 N ASN A 39 -5.521 17.468 3.835 1.00 0.00 N ATOM 636 CA ASN A 39 -4.197 17.304 4.420 1.00 0.00 C ATOM 637 C ASN A 39 -3.142 17.501 3.324 1.00 0.00 C ATOM 638 O ASN A 39 -2.336 16.611 3.058 1.00 0.00 O ATOM 639 CB ASN A 39 -4.120 15.950 5.153 1.00 0.00 C ATOM 640 CG ASN A 39 -3.317 16.061 6.440 1.00 0.00 C ATOM 641 OD1 ASN A 39 -3.835 15.822 7.534 1.00 0.00 O ATOM 642 ND2 ASN A 39 -2.079 16.504 6.357 1.00 0.00 N ATOM 0 H ASN A 39 -5.573 17.206 2.851 1.00 0.00 H new ATOM 0 HA ASN A 39 -3.994 18.059 5.179 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -5.127 15.599 5.380 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -3.663 15.206 4.500 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -1.533 16.654 7.205 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -1.666 16.696 5.444 1.00 0.00 H new ATOM 649 N PRO A 40 -3.108 18.677 2.672 1.00 0.00 N ATOM 650 CA PRO A 40 -2.380 18.903 1.424 1.00 0.00 C ATOM 651 C PRO A 40 -0.881 18.697 1.588 1.00 0.00 C ATOM 652 O PRO A 40 -0.197 18.285 0.653 1.00 0.00 O ATOM 653 CB PRO A 40 -2.684 20.350 1.028 1.00 0.00 C ATOM 654 CG PRO A 40 -3.004 21.024 2.363 1.00 0.00 C ATOM 655 CD PRO A 40 -3.688 19.915 3.156 1.00 0.00 C ATOM 0 HA PRO A 40 -2.693 18.191 0.661 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -1.832 20.819 0.535 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -3.525 20.409 0.337 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -2.102 21.379 2.862 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -3.656 21.887 2.232 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -3.518 20.036 4.226 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -4.767 19.930 3.001 1.00 0.00 H new ATOM 663 N ASN A 41 -0.377 18.940 2.797 1.00 0.00 N ATOM 664 CA ASN A 41 1.018 18.820 3.178 1.00 0.00 C ATOM 665 C ASN A 41 1.508 17.367 3.075 1.00 0.00 C ATOM 666 O ASN A 41 2.710 17.114 3.118 1.00 0.00 O ATOM 667 CB ASN A 41 1.189 19.351 4.613 1.00 0.00 C ATOM 668 CG ASN A 41 0.354 20.596 4.913 1.00 0.00 C ATOM 669 OD1 ASN A 41 -0.798 20.485 5.316 1.00 0.00 O ATOM 670 ND2 ASN A 41 0.843 21.797 4.663 1.00 0.00 N ATOM 0 H ASN A 41 -0.966 19.241 3.573 1.00 0.00 H new ATOM 0 HA ASN A 41 1.624 19.411 2.491 1.00 0.00 H new ATOM 0 HB2 ASN A 41 0.917 18.564 5.317 1.00 0.00 H new ATOM 0 HB3 ASN A 41 2.241 19.581 4.783 1.00 0.00 H new ATOM 0 HD21 ASN A 41 0.263 22.624 4.806 1.00 0.00 H new ATOM 0 HD22 ASN A 41 1.801 21.898 4.327 1.00 0.00 H new ATOM 677 N GLU A 42 0.591 16.408 2.942 1.00 0.00 N ATOM 678 CA GLU A 42 0.806 14.965 2.873 1.00 0.00 C ATOM 679 C GLU A 42 0.487 14.429 1.471 1.00 0.00 C ATOM 680 O GLU A 42 0.626 13.230 1.238 1.00 0.00 O ATOM 681 CB GLU A 42 -0.037 14.296 3.963 1.00 0.00 C ATOM 682 CG GLU A 42 0.517 14.723 5.329 1.00 0.00 C ATOM 683 CD GLU A 42 0.135 13.751 6.446 1.00 0.00 C ATOM 684 OE1 GLU A 42 -1.056 13.633 6.795 1.00 0.00 O ATOM 685 OE2 GLU A 42 1.056 13.049 6.927 1.00 0.00 O ATOM 0 H GLU A 42 -0.400 16.641 2.875 1.00 0.00 H new ATOM 0 HA GLU A 42 1.855 14.731 3.052 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -1.082 14.589 3.868 1.00 0.00 H new ATOM 0 HB3 GLU A 42 0.000 13.212 3.860 1.00 0.00 H new ATOM 0 HG2 GLU A 42 1.603 14.795 5.270 1.00 0.00 H new ATOM 0 HG3 GLU A 42 0.144 15.717 5.574 1.00 0.00 H new ATOM 692 N GLY A 43 0.109 15.282 0.514 1.00 0.00 N ATOM 693 CA GLY A 43 -0.373 14.836 -0.786 1.00 0.00 C ATOM 694 C GLY A 43 0.685 14.108 -1.621 1.00 0.00 C ATOM 695 O GLY A 43 0.311 13.317 -2.489 1.00 0.00 O ATOM 0 H GLY A 43 0.130 16.296 0.623 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.226 14.173 -0.639 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.733 15.699 -1.345 1.00 0.00 H new ATOM 699 N GLU A 44 1.985 14.307 -1.361 1.00 0.00 N ATOM 700 CA GLU A 44 3.015 13.502 -2.026 1.00 0.00 C ATOM 701 C GLU A 44 3.113 12.113 -1.387 1.00 0.00 C ATOM 702 O GLU A 44 3.201 11.136 -2.126 1.00 0.00 O ATOM 703 CB GLU A 44 4.386 14.202 -2.097 1.00 0.00 C ATOM 704 CG GLU A 44 4.482 15.164 -3.297 1.00 0.00 C ATOM 705 CD GLU A 44 5.929 15.485 -3.695 1.00 0.00 C ATOM 706 OE1 GLU A 44 6.652 16.158 -2.925 1.00 0.00 O ATOM 707 OE2 GLU A 44 6.352 15.079 -4.805 1.00 0.00 O ATOM 0 H GLU A 44 2.342 15.005 -0.708 1.00 0.00 H new ATOM 0 HA GLU A 44 2.699 13.381 -3.062 1.00 0.00 H new ATOM 0 HB2 GLU A 44 4.559 14.756 -1.174 1.00 0.00 H new ATOM 0 HB3 GLU A 44 5.173 13.451 -2.170 1.00 0.00 H new ATOM 0 HG2 GLU A 44 3.966 14.724 -4.150 1.00 0.00 H new ATOM 0 HG3 GLU A 44 3.964 16.092 -3.054 1.00 0.00 H new ATOM 714 N LYS A 45 2.978 11.985 -0.057 1.00 0.00 N ATOM 715 CA LYS A 45 2.962 10.703 0.642 1.00 0.00 C ATOM 716 C LYS A 45 1.921 9.774 0.037 1.00 0.00 C ATOM 717 O LYS A 45 2.122 8.563 -0.015 1.00 0.00 O ATOM 718 CB LYS A 45 2.545 10.903 2.099 1.00 0.00 C ATOM 719 CG LYS A 45 3.318 11.888 2.965 1.00 0.00 C ATOM 720 CD LYS A 45 2.556 12.058 4.282 1.00 0.00 C ATOM 721 CE LYS A 45 3.215 11.401 5.484 1.00 0.00 C ATOM 722 NZ LYS A 45 2.508 10.193 5.950 1.00 0.00 N ATOM 0 H LYS A 45 2.876 12.786 0.567 1.00 0.00 H new ATOM 0 HA LYS A 45 3.964 10.282 0.561 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.500 11.214 2.101 1.00 0.00 H new ATOM 0 HB3 LYS A 45 2.589 9.930 2.589 1.00 0.00 H new ATOM 0 HG2 LYS A 45 4.327 11.520 3.153 1.00 0.00 H new ATOM 0 HG3 LYS A 45 3.418 12.847 2.456 1.00 0.00 H new ATOM 0 HD2 LYS A 45 2.440 13.123 4.485 1.00 0.00 H new ATOM 0 HD3 LYS A 45 1.554 11.645 4.163 1.00 0.00 H new ATOM 0 HE2 LYS A 45 4.241 11.137 5.228 1.00 0.00 H new ATOM 0 HE3 LYS A 45 3.266 12.121 6.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 2.806 9.969 6.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 1.482 10.363 5.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 2.737 9.394 5.325 1.00 0.00 H new ATOM 736 N PHE A 46 0.796 10.346 -0.403 1.00 0.00 N ATOM 737 CA PHE A 46 -0.314 9.602 -0.965 1.00 0.00 C ATOM 738 C PHE A 46 0.175 8.679 -2.082 1.00 0.00 C ATOM 739 O PHE A 46 -0.304 7.551 -2.209 1.00 0.00 O ATOM 740 CB PHE A 46 -1.368 10.575 -1.509 1.00 0.00 C ATOM 741 CG PHE A 46 -2.826 10.134 -1.469 1.00 0.00 C ATOM 742 CD1 PHE A 46 -3.214 8.794 -1.254 1.00 0.00 C ATOM 743 CD2 PHE A 46 -3.821 11.093 -1.726 1.00 0.00 C ATOM 744 CE1 PHE A 46 -4.571 8.433 -1.279 1.00 0.00 C ATOM 745 CE2 PHE A 46 -5.177 10.724 -1.778 1.00 0.00 C ATOM 746 CZ PHE A 46 -5.558 9.393 -1.548 1.00 0.00 C ATOM 0 H PHE A 46 0.638 11.353 -0.374 1.00 0.00 H new ATOM 0 HA PHE A 46 -0.762 8.991 -0.181 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -1.284 11.507 -0.950 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -1.114 10.800 -2.545 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -2.462 8.041 -1.069 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -3.541 12.124 -1.885 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -4.857 7.409 -1.090 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -5.929 11.468 -1.996 1.00 0.00 H new ATOM 0 HZ PHE A 46 -6.600 9.111 -1.578 1.00 0.00 H new ATOM 756 N LYS A 47 1.152 9.151 -2.861 1.00 0.00 N ATOM 757 CA LYS A 47 1.750 8.421 -3.960 1.00 0.00 C ATOM 758 C LYS A 47 2.305 7.075 -3.523 1.00 0.00 C ATOM 759 O LYS A 47 1.989 6.073 -4.157 1.00 0.00 O ATOM 760 CB LYS A 47 2.826 9.290 -4.632 1.00 0.00 C ATOM 761 CG LYS A 47 2.897 8.951 -6.118 1.00 0.00 C ATOM 762 CD LYS A 47 3.949 9.767 -6.868 1.00 0.00 C ATOM 763 CE LYS A 47 3.810 9.474 -8.366 1.00 0.00 C ATOM 764 NZ LYS A 47 4.783 10.252 -9.153 1.00 0.00 N ATOM 0 H LYS A 47 1.554 10.080 -2.733 1.00 0.00 H new ATOM 0 HA LYS A 47 0.970 8.201 -4.689 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.591 10.346 -4.500 1.00 0.00 H new ATOM 0 HB3 LYS A 47 3.794 9.118 -4.162 1.00 0.00 H new ATOM 0 HG2 LYS A 47 3.119 7.890 -6.233 1.00 0.00 H new ATOM 0 HG3 LYS A 47 1.921 9.123 -6.571 1.00 0.00 H new ATOM 0 HD2 LYS A 47 3.812 10.831 -6.675 1.00 0.00 H new ATOM 0 HD3 LYS A 47 4.949 9.506 -6.522 1.00 0.00 H new ATOM 0 HE2 LYS A 47 3.960 8.410 -8.547 1.00 0.00 H new ATOM 0 HE3 LYS A 47 2.798 9.713 -8.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 4.666 10.034 -10.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 4.623 11.268 -8.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 5.748 10.004 -8.855 1.00 0.00 H new ATOM 778 N GLN A 48 3.069 7.012 -2.430 1.00 0.00 N ATOM 779 CA GLN A 48 3.571 5.749 -1.886 1.00 0.00 C ATOM 780 C GLN A 48 2.423 4.771 -1.619 1.00 0.00 C ATOM 781 O GLN A 48 2.580 3.570 -1.851 1.00 0.00 O ATOM 782 CB GLN A 48 4.363 6.017 -0.592 1.00 0.00 C ATOM 783 CG GLN A 48 5.848 6.306 -0.841 1.00 0.00 C ATOM 784 CD GLN A 48 6.733 5.080 -0.629 1.00 0.00 C ATOM 785 OE1 GLN A 48 7.143 4.399 -1.570 1.00 0.00 O ATOM 786 NE2 GLN A 48 7.082 4.789 0.608 1.00 0.00 N ATOM 0 H GLN A 48 3.356 7.834 -1.898 1.00 0.00 H new ATOM 0 HA GLN A 48 4.233 5.293 -2.622 1.00 0.00 H new ATOM 0 HB2 GLN A 48 3.917 6.864 -0.070 1.00 0.00 H new ATOM 0 HB3 GLN A 48 4.273 5.153 0.067 1.00 0.00 H new ATOM 0 HG2 GLN A 48 5.977 6.669 -1.861 1.00 0.00 H new ATOM 0 HG3 GLN A 48 6.175 7.104 -0.174 1.00 0.00 H new ATOM 0 HE21 GLN A 48 6.738 5.358 1.382 1.00 0.00 H new ATOM 0 HE22 GLN A 48 7.696 3.995 0.791 1.00 0.00 H new ATOM 795 N ILE A 49 1.278 5.277 -1.152 1.00 0.00 N ATOM 796 CA ILE A 49 0.127 4.461 -0.786 1.00 0.00 C ATOM 797 C ILE A 49 -0.463 3.861 -2.067 1.00 0.00 C ATOM 798 O ILE A 49 -0.749 2.665 -2.111 1.00 0.00 O ATOM 799 CB ILE A 49 -0.935 5.268 0.007 1.00 0.00 C ATOM 800 CG1 ILE A 49 -0.321 6.263 1.016 1.00 0.00 C ATOM 801 CG2 ILE A 49 -1.881 4.313 0.758 1.00 0.00 C ATOM 802 CD1 ILE A 49 -1.377 7.051 1.798 1.00 0.00 C ATOM 0 H ILE A 49 1.127 6.277 -1.018 1.00 0.00 H new ATOM 0 HA ILE A 49 0.451 3.663 -0.118 1.00 0.00 H new ATOM 0 HB ILE A 49 -1.484 5.850 -0.733 1.00 0.00 H new ATOM 0 HG12 ILE A 49 0.310 5.718 1.717 1.00 0.00 H new ATOM 0 HG13 ILE A 49 0.324 6.961 0.483 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.621 4.893 1.310 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -2.388 3.666 0.042 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.305 3.703 1.454 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -0.883 7.733 2.490 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -1.993 7.622 1.103 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.007 6.359 2.357 1.00 0.00 H new ATOM 814 N SER A 50 -0.650 4.669 -3.115 1.00 0.00 N ATOM 815 CA SER A 50 -1.159 4.169 -4.386 1.00 0.00 C ATOM 816 C SER A 50 -0.195 3.142 -4.979 1.00 0.00 C ATOM 817 O SER A 50 -0.614 2.031 -5.306 1.00 0.00 O ATOM 818 CB SER A 50 -1.444 5.305 -5.379 1.00 0.00 C ATOM 819 OG SER A 50 -1.044 6.587 -4.916 1.00 0.00 O ATOM 0 H SER A 50 -0.455 5.670 -3.104 1.00 0.00 H new ATOM 0 HA SER A 50 -2.112 3.676 -4.191 1.00 0.00 H new ATOM 0 HB2 SER A 50 -0.931 5.092 -6.317 1.00 0.00 H new ATOM 0 HB3 SER A 50 -2.512 5.325 -5.597 1.00 0.00 H new ATOM 0 HG SER A 50 -1.253 7.260 -5.597 1.00 0.00 H new ATOM 825 N GLN A 51 1.088 3.504 -5.071 1.00 0.00 N ATOM 826 CA GLN A 51 2.170 2.703 -5.623 1.00 0.00 C ATOM 827 C GLN A 51 2.159 1.308 -4.989 1.00 0.00 C ATOM 828 O GLN A 51 2.181 0.293 -5.690 1.00 0.00 O ATOM 829 CB GLN A 51 3.501 3.441 -5.348 1.00 0.00 C ATOM 830 CG GLN A 51 4.684 3.065 -6.247 1.00 0.00 C ATOM 831 CD GLN A 51 5.036 4.151 -7.254 1.00 0.00 C ATOM 832 OE1 GLN A 51 5.654 5.157 -6.907 1.00 0.00 O ATOM 833 NE2 GLN A 51 4.700 3.954 -8.512 1.00 0.00 N ATOM 0 H GLN A 51 1.411 4.414 -4.743 1.00 0.00 H new ATOM 0 HA GLN A 51 2.048 2.573 -6.698 1.00 0.00 H new ATOM 0 HB2 GLN A 51 3.325 4.512 -5.445 1.00 0.00 H new ATOM 0 HB3 GLN A 51 3.786 3.257 -4.312 1.00 0.00 H new ATOM 0 HG2 GLN A 51 5.555 2.859 -5.625 1.00 0.00 H new ATOM 0 HG3 GLN A 51 4.449 2.145 -6.781 1.00 0.00 H new ATOM 0 HE21 GLN A 51 4.188 3.113 -8.777 1.00 0.00 H new ATOM 0 HE22 GLN A 51 4.952 4.643 -9.221 1.00 0.00 H new ATOM 842 N ALA A 52 2.167 1.254 -3.653 1.00 0.00 N ATOM 843 CA ALA A 52 2.279 0.008 -2.917 1.00 0.00 C ATOM 844 C ALA A 52 1.019 -0.838 -3.070 1.00 0.00 C ATOM 845 O ALA A 52 1.119 -2.034 -3.345 1.00 0.00 O ATOM 846 CB ALA A 52 2.574 0.317 -1.445 1.00 0.00 C ATOM 0 H ALA A 52 2.095 2.079 -3.058 1.00 0.00 H new ATOM 0 HA ALA A 52 3.102 -0.578 -3.326 1.00 0.00 H new ATOM 0 HB1 ALA A 52 2.659 -0.616 -0.887 1.00 0.00 H new ATOM 0 HB2 ALA A 52 3.510 0.871 -1.370 1.00 0.00 H new ATOM 0 HB3 ALA A 52 1.763 0.916 -1.029 1.00 0.00 H new ATOM 852 N TYR A 53 -0.163 -0.235 -2.903 1.00 0.00 N ATOM 853 CA TYR A 53 -1.418 -0.962 -3.045 1.00 0.00 C ATOM 854 C TYR A 53 -1.558 -1.501 -4.475 1.00 0.00 C ATOM 855 O TYR A 53 -2.146 -2.567 -4.649 1.00 0.00 O ATOM 856 CB TYR A 53 -2.599 -0.065 -2.649 1.00 0.00 C ATOM 857 CG TYR A 53 -3.953 -0.706 -2.888 1.00 0.00 C ATOM 858 CD1 TYR A 53 -4.566 -0.541 -4.141 1.00 0.00 C ATOM 859 CD2 TYR A 53 -4.554 -1.544 -1.925 1.00 0.00 C ATOM 860 CE1 TYR A 53 -5.779 -1.169 -4.442 1.00 0.00 C ATOM 861 CE2 TYR A 53 -5.784 -2.176 -2.216 1.00 0.00 C ATOM 862 CZ TYR A 53 -6.397 -1.996 -3.485 1.00 0.00 C ATOM 863 OH TYR A 53 -7.545 -2.643 -3.826 1.00 0.00 O ATOM 0 H TYR A 53 -0.271 0.752 -2.670 1.00 0.00 H new ATOM 0 HA TYR A 53 -1.419 -1.818 -2.371 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -2.510 0.195 -1.594 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.542 0.866 -3.212 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -4.092 0.082 -4.885 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -4.076 -1.702 -0.969 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -6.241 -1.020 -5.407 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -6.259 -2.798 -1.472 1.00 0.00 H new ATOM 0 HH TYR A 53 -7.728 -3.351 -3.174 1.00 0.00 H new ATOM 873 N GLU A 54 -1.030 -0.802 -5.489 1.00 0.00 N ATOM 874 CA GLU A 54 -1.264 -1.122 -6.898 1.00 0.00 C ATOM 875 C GLU A 54 -0.662 -2.482 -7.237 1.00 0.00 C ATOM 876 O GLU A 54 -1.328 -3.314 -7.846 1.00 0.00 O ATOM 877 CB GLU A 54 -0.708 -0.018 -7.821 1.00 0.00 C ATOM 878 CG GLU A 54 -0.778 -0.436 -9.305 1.00 0.00 C ATOM 879 CD GLU A 54 -0.600 0.716 -10.296 1.00 0.00 C ATOM 880 OE1 GLU A 54 0.155 1.664 -10.000 1.00 0.00 O ATOM 881 OE2 GLU A 54 -1.142 0.636 -11.426 1.00 0.00 O ATOM 0 H GLU A 54 -0.424 0.007 -5.350 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.340 -1.172 -7.065 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -1.275 0.901 -7.673 1.00 0.00 H new ATOM 0 HB3 GLU A 54 0.326 0.198 -7.551 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -0.009 -1.185 -9.495 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.740 -0.913 -9.490 1.00 0.00 H new ATOM 888 N VAL A 55 0.573 -2.737 -6.815 1.00 0.00 N ATOM 889 CA VAL A 55 1.256 -4.002 -7.081 1.00 0.00 C ATOM 890 C VAL A 55 0.485 -5.174 -6.460 1.00 0.00 C ATOM 891 O VAL A 55 0.507 -6.287 -6.984 1.00 0.00 O ATOM 892 CB VAL A 55 2.704 -3.879 -6.570 1.00 0.00 C ATOM 893 CG1 VAL A 55 3.490 -5.186 -6.713 1.00 0.00 C ATOM 894 CG2 VAL A 55 3.426 -2.796 -7.385 1.00 0.00 C ATOM 0 H VAL A 55 1.130 -2.072 -6.278 1.00 0.00 H new ATOM 0 HA VAL A 55 1.291 -4.213 -8.150 1.00 0.00 H new ATOM 0 HB VAL A 55 2.656 -3.626 -5.511 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.504 -5.044 -6.338 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.998 -5.971 -6.139 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.529 -5.474 -7.763 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.453 -2.699 -7.032 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.429 -3.075 -8.439 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.909 -1.844 -7.263 1.00 0.00 H new ATOM 904 N LEU A 56 -0.238 -4.915 -5.372 1.00 0.00 N ATOM 905 CA LEU A 56 -1.041 -5.899 -4.665 1.00 0.00 C ATOM 906 C LEU A 56 -2.496 -5.914 -5.173 1.00 0.00 C ATOM 907 O LEU A 56 -3.258 -6.790 -4.766 1.00 0.00 O ATOM 908 CB LEU A 56 -0.949 -5.593 -3.154 1.00 0.00 C ATOM 909 CG LEU A 56 0.488 -5.562 -2.587 1.00 0.00 C ATOM 910 CD1 LEU A 56 0.478 -5.035 -1.153 1.00 0.00 C ATOM 911 CD2 LEU A 56 1.147 -6.940 -2.589 1.00 0.00 C ATOM 0 H LEU A 56 -0.279 -3.987 -4.950 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.656 -6.901 -4.853 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.421 -4.629 -2.963 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.523 -6.343 -2.610 1.00 0.00 H new ATOM 0 HG LEU A 56 1.064 -4.904 -3.237 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.496 -5.018 -0.765 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.067 -4.025 -1.139 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.137 -5.685 -0.531 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.155 -6.862 -2.181 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.560 -7.625 -1.977 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.197 -7.318 -3.610 1.00 0.00 H new ATOM 923 N SER A 57 -2.907 -4.982 -6.040 1.00 0.00 N ATOM 924 CA SER A 57 -4.298 -4.739 -6.435 1.00 0.00 C ATOM 925 C SER A 57 -4.825 -5.801 -7.411 1.00 0.00 C ATOM 926 O SER A 57 -6.017 -5.797 -7.733 1.00 0.00 O ATOM 927 CB SER A 57 -4.388 -3.334 -7.058 1.00 0.00 C ATOM 928 OG SER A 57 -5.716 -2.928 -7.330 1.00 0.00 O ATOM 0 H SER A 57 -2.253 -4.351 -6.504 1.00 0.00 H new ATOM 0 HA SER A 57 -4.928 -4.803 -5.548 1.00 0.00 H new ATOM 0 HB2 SER A 57 -3.926 -2.614 -6.382 1.00 0.00 H new ATOM 0 HB3 SER A 57 -3.813 -3.317 -7.984 1.00 0.00 H new ATOM 0 HG SER A 57 -6.287 -3.719 -7.427 1.00 0.00 H new ATOM 934 N ASP A 58 -3.965 -6.690 -7.898 1.00 0.00 N ATOM 935 CA ASP A 58 -4.224 -7.598 -9.001 1.00 0.00 C ATOM 936 C ASP A 58 -3.552 -8.917 -8.666 1.00 0.00 C ATOM 937 O ASP A 58 -2.387 -8.888 -8.267 1.00 0.00 O ATOM 938 CB ASP A 58 -3.550 -7.031 -10.249 1.00 0.00 C ATOM 939 CG ASP A 58 -3.800 -7.909 -11.462 1.00 0.00 C ATOM 940 OD1 ASP A 58 -4.963 -8.090 -11.883 1.00 0.00 O ATOM 941 OD2 ASP A 58 -2.803 -8.460 -11.966 1.00 0.00 O ATOM 0 H ASP A 58 -3.026 -6.799 -7.514 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.294 -7.726 -9.166 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -3.925 -6.026 -10.442 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -2.477 -6.943 -10.077 1.00 0.00 H new ATOM 946 N ALA A 59 -4.218 -10.060 -8.848 1.00 0.00 N ATOM 947 CA ALA A 59 -3.587 -11.344 -8.539 1.00 0.00 C ATOM 948 C ALA A 59 -2.352 -11.603 -9.404 1.00 0.00 C ATOM 949 O ALA A 59 -1.446 -12.312 -8.972 1.00 0.00 O ATOM 950 CB ALA A 59 -4.566 -12.502 -8.735 1.00 0.00 C ATOM 0 H ALA A 59 -5.173 -10.123 -9.200 1.00 0.00 H new ATOM 0 HA ALA A 59 -3.282 -11.287 -7.494 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -4.069 -13.443 -8.498 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -5.424 -12.369 -8.076 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.904 -12.521 -9.771 1.00 0.00 H new ATOM 956 N LYS A 60 -2.311 -11.069 -10.626 1.00 0.00 N ATOM 957 CA LYS A 60 -1.288 -11.357 -11.619 1.00 0.00 C ATOM 958 C LYS A 60 -0.066 -10.484 -11.371 1.00 0.00 C ATOM 959 O LYS A 60 1.060 -10.983 -11.448 1.00 0.00 O ATOM 960 CB LYS A 60 -1.902 -11.118 -13.009 1.00 0.00 C ATOM 961 CG LYS A 60 -1.719 -12.295 -13.976 1.00 0.00 C ATOM 962 CD LYS A 60 -0.365 -12.277 -14.693 1.00 0.00 C ATOM 963 CE LYS A 60 -0.327 -11.093 -15.668 1.00 0.00 C ATOM 964 NZ LYS A 60 1.013 -10.850 -16.220 1.00 0.00 N ATOM 0 H LYS A 60 -3.012 -10.405 -10.957 1.00 0.00 H new ATOM 0 HA LYS A 60 -0.953 -12.392 -11.554 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -2.967 -10.915 -12.896 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -1.452 -10.227 -13.447 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -1.819 -13.230 -13.425 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -2.517 -12.276 -14.718 1.00 0.00 H new ATOM 0 HD2 LYS A 60 0.444 -12.192 -13.967 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -0.213 -13.212 -15.232 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -1.023 -11.280 -16.486 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -0.672 -10.195 -15.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 0.979 -10.040 -16.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 1.675 -10.644 -15.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 1.335 -11.694 -16.735 1.00 0.00 H new ATOM 978 N LYS A 61 -0.250 -9.198 -11.046 1.00 0.00 N ATOM 979 CA LYS A 61 0.838 -8.402 -10.468 1.00 0.00 C ATOM 980 C LYS A 61 1.296 -9.083 -9.188 1.00 0.00 C ATOM 981 O LYS A 61 2.491 -9.349 -9.045 1.00 0.00 O ATOM 982 CB LYS A 61 0.447 -6.939 -10.164 1.00 0.00 C ATOM 983 CG LYS A 61 0.238 -6.074 -11.414 1.00 0.00 C ATOM 984 CD LYS A 61 0.682 -4.611 -11.225 1.00 0.00 C ATOM 985 CE LYS A 61 2.205 -4.399 -11.163 1.00 0.00 C ATOM 986 NZ LYS A 61 2.897 -4.842 -12.391 1.00 0.00 N ATOM 0 H LYS A 61 -1.128 -8.694 -11.171 1.00 0.00 H new ATOM 0 HA LYS A 61 1.636 -8.352 -11.209 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.470 -6.934 -9.574 1.00 0.00 H new ATOM 0 HB3 LYS A 61 1.224 -6.487 -9.548 1.00 0.00 H new ATOM 0 HG2 LYS A 61 0.792 -6.510 -12.245 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -0.817 -6.094 -11.689 1.00 0.00 H new ATOM 0 HD2 LYS A 61 0.280 -4.016 -12.045 1.00 0.00 H new ATOM 0 HD3 LYS A 61 0.239 -4.228 -10.306 1.00 0.00 H new ATOM 0 HE2 LYS A 61 2.413 -3.342 -10.996 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.608 -4.943 -10.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 3.895 -4.554 -12.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 2.839 -5.878 -12.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 2.445 -4.407 -13.220 1.00 0.00 H new ATOM 1000 N ARG A 62 0.363 -9.391 -8.280 1.00 0.00 N ATOM 1001 CA ARG A 62 0.726 -9.949 -6.988 1.00 0.00 C ATOM 1002 C ARG A 62 1.517 -11.248 -7.132 1.00 0.00 C ATOM 1003 O ARG A 62 2.459 -11.403 -6.372 1.00 0.00 O ATOM 1004 CB ARG A 62 -0.476 -10.063 -6.037 1.00 0.00 C ATOM 1005 CG ARG A 62 -0.020 -10.559 -4.652 1.00 0.00 C ATOM 1006 CD ARG A 62 -0.802 -9.956 -3.487 1.00 0.00 C ATOM 1007 NE ARG A 62 -0.353 -10.553 -2.225 1.00 0.00 N ATOM 1008 CZ ARG A 62 -1.087 -10.844 -1.151 1.00 0.00 C ATOM 1009 NH1 ARG A 62 -2.314 -10.361 -1.000 1.00 0.00 N ATOM 1010 NH2 ARG A 62 -0.575 -11.638 -0.227 1.00 0.00 N ATOM 0 H ARG A 62 -0.639 -9.262 -8.421 1.00 0.00 H new ATOM 0 HA ARG A 62 1.401 -9.239 -6.510 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -0.964 -9.093 -5.940 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -1.212 -10.751 -6.452 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -0.115 -11.644 -4.617 1.00 0.00 H new ATOM 0 HG3 ARG A 62 1.037 -10.327 -4.525 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -0.658 -8.876 -3.461 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -1.869 -10.132 -3.624 1.00 0.00 H new ATOM 0 HE ARG A 62 0.641 -10.772 -2.161 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -2.714 -9.753 -1.715 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -2.857 -10.598 -0.169 1.00 0.00 H new ATOM 0 HH21 ARG A 62 0.365 -12.016 -0.343 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -1.120 -11.873 0.602 1.00 0.00 H new ATOM 1024 N GLU A 63 1.229 -12.142 -8.084 1.00 0.00 N ATOM 1025 CA GLU A 63 2.018 -13.366 -8.256 1.00 0.00 C ATOM 1026 C GLU A 63 3.484 -13.062 -8.577 1.00 0.00 C ATOM 1027 O GLU A 63 4.372 -13.750 -8.067 1.00 0.00 O ATOM 1028 CB GLU A 63 1.456 -14.274 -9.363 1.00 0.00 C ATOM 1029 CG GLU A 63 0.386 -15.273 -8.887 1.00 0.00 C ATOM 1030 CD GLU A 63 0.168 -16.451 -9.851 1.00 0.00 C ATOM 1031 OE1 GLU A 63 0.735 -16.471 -10.970 1.00 0.00 O ATOM 1032 OE2 GLU A 63 -0.581 -17.386 -9.468 1.00 0.00 O ATOM 0 H GLU A 63 0.458 -12.042 -8.745 1.00 0.00 H new ATOM 0 HA GLU A 63 1.955 -13.887 -7.301 1.00 0.00 H new ATOM 0 HB2 GLU A 63 1.028 -13.648 -10.146 1.00 0.00 H new ATOM 0 HB3 GLU A 63 2.279 -14.829 -9.813 1.00 0.00 H new ATOM 0 HG2 GLU A 63 0.674 -15.663 -7.911 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.558 -14.745 -8.754 1.00 0.00 H new ATOM 1039 N LEU A 64 3.758 -12.072 -9.436 1.00 0.00 N ATOM 1040 CA LEU A 64 5.134 -11.744 -9.812 1.00 0.00 C ATOM 1041 C LEU A 64 5.849 -11.097 -8.640 1.00 0.00 C ATOM 1042 O LEU A 64 7.025 -11.374 -8.410 1.00 0.00 O ATOM 1043 CB LEU A 64 5.193 -10.826 -11.049 1.00 0.00 C ATOM 1044 CG LEU A 64 5.365 -11.633 -12.346 1.00 0.00 C ATOM 1045 CD1 LEU A 64 4.244 -12.661 -12.498 1.00 0.00 C ATOM 1046 CD2 LEU A 64 5.430 -10.713 -13.563 1.00 0.00 C ATOM 0 H LEU A 64 3.048 -11.489 -9.880 1.00 0.00 H new ATOM 0 HA LEU A 64 5.636 -12.674 -10.076 1.00 0.00 H new ATOM 0 HB2 LEU A 64 4.280 -10.234 -11.107 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.021 -10.125 -10.943 1.00 0.00 H new ATOM 0 HG LEU A 64 6.312 -12.170 -12.284 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.386 -13.220 -13.423 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.263 -13.348 -11.652 1.00 0.00 H new ATOM 0 HD13 LEU A 64 3.282 -12.149 -12.528 1.00 0.00 H new ATOM 0 HD21 LEU A 64 5.552 -11.312 -14.466 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.508 -10.136 -13.632 1.00 0.00 H new ATOM 0 HD23 LEU A 64 6.277 -10.034 -13.461 1.00 0.00 H new ATOM 1058 N TYR A 65 5.131 -10.254 -7.905 1.00 0.00 N ATOM 1059 CA TYR A 65 5.535 -9.689 -6.637 1.00 0.00 C ATOM 1060 C TYR A 65 5.858 -10.768 -5.597 1.00 0.00 C ATOM 1061 O TYR A 65 6.884 -10.671 -4.928 1.00 0.00 O ATOM 1062 CB TYR A 65 4.471 -8.684 -6.200 1.00 0.00 C ATOM 1063 CG TYR A 65 4.575 -8.319 -4.746 1.00 0.00 C ATOM 1064 CD1 TYR A 65 5.530 -7.382 -4.321 1.00 0.00 C ATOM 1065 CD2 TYR A 65 3.781 -9.004 -3.813 1.00 0.00 C ATOM 1066 CE1 TYR A 65 5.696 -7.135 -2.951 1.00 0.00 C ATOM 1067 CE2 TYR A 65 3.927 -8.749 -2.445 1.00 0.00 C ATOM 1068 CZ TYR A 65 4.899 -7.822 -2.008 1.00 0.00 C ATOM 1069 OH TYR A 65 5.084 -7.621 -0.679 1.00 0.00 O ATOM 0 H TYR A 65 4.208 -9.935 -8.198 1.00 0.00 H new ATOM 0 HA TYR A 65 6.477 -9.151 -6.745 1.00 0.00 H new ATOM 0 HB2 TYR A 65 4.561 -7.781 -6.804 1.00 0.00 H new ATOM 0 HB3 TYR A 65 3.483 -9.100 -6.395 1.00 0.00 H new ATOM 0 HD1 TYR A 65 6.133 -6.855 -5.045 1.00 0.00 H new ATOM 0 HD2 TYR A 65 3.056 -9.729 -4.152 1.00 0.00 H new ATOM 0 HE1 TYR A 65 6.433 -6.420 -2.616 1.00 0.00 H new ATOM 0 HE2 TYR A 65 3.300 -9.258 -1.728 1.00 0.00 H new ATOM 0 HH TYR A 65 4.339 -8.017 -0.181 1.00 0.00 H new ATOM 1079 N ASP A 66 5.049 -11.825 -5.506 1.00 0.00 N ATOM 1080 CA ASP A 66 5.033 -12.804 -4.416 1.00 0.00 C ATOM 1081 C ASP A 66 6.384 -13.494 -4.237 1.00 0.00 C ATOM 1082 O ASP A 66 6.722 -13.977 -3.148 1.00 0.00 O ATOM 1083 CB ASP A 66 3.966 -13.870 -4.715 1.00 0.00 C ATOM 1084 CG ASP A 66 3.362 -14.452 -3.447 1.00 0.00 C ATOM 1085 OD1 ASP A 66 3.879 -15.473 -2.946 1.00 0.00 O ATOM 1086 OD2 ASP A 66 2.327 -13.899 -3.003 1.00 0.00 O ATOM 0 H ASP A 66 4.354 -12.032 -6.224 1.00 0.00 H new ATOM 0 HA ASP A 66 4.807 -12.269 -3.494 1.00 0.00 H new ATOM 0 HB2 ASP A 66 3.175 -13.429 -5.323 1.00 0.00 H new ATOM 0 HB3 ASP A 66 4.411 -14.672 -5.304 1.00 0.00 H new ATOM 1091 N LYS A 67 7.153 -13.555 -5.326 1.00 0.00 N ATOM 1092 CA LYS A 67 8.475 -14.161 -5.420 1.00 0.00 C ATOM 1093 C LYS A 67 9.478 -13.268 -6.160 1.00 0.00 C ATOM 1094 O LYS A 67 10.497 -13.777 -6.636 1.00 0.00 O ATOM 1095 CB LYS A 67 8.343 -15.564 -6.039 1.00 0.00 C ATOM 1096 CG LYS A 67 7.488 -15.598 -7.316 1.00 0.00 C ATOM 1097 CD LYS A 67 7.648 -16.911 -8.094 1.00 0.00 C ATOM 1098 CE LYS A 67 8.573 -16.708 -9.295 1.00 0.00 C ATOM 1099 NZ LYS A 67 8.785 -17.955 -10.047 1.00 0.00 N ATOM 0 H LYS A 67 6.849 -13.159 -6.215 1.00 0.00 H new ATOM 0 HA LYS A 67 8.889 -14.267 -4.417 1.00 0.00 H new ATOM 0 HB2 LYS A 67 9.338 -15.945 -6.268 1.00 0.00 H new ATOM 0 HB3 LYS A 67 7.906 -16.237 -5.302 1.00 0.00 H new ATOM 0 HG2 LYS A 67 6.439 -15.461 -7.051 1.00 0.00 H new ATOM 0 HG3 LYS A 67 7.766 -14.762 -7.958 1.00 0.00 H new ATOM 0 HD2 LYS A 67 8.055 -17.682 -7.440 1.00 0.00 H new ATOM 0 HD3 LYS A 67 6.673 -17.262 -8.433 1.00 0.00 H new ATOM 0 HE2 LYS A 67 8.147 -15.954 -9.957 1.00 0.00 H new ATOM 0 HE3 LYS A 67 9.534 -16.324 -8.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 9.418 -17.772 -10.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 9.215 -18.667 -9.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 7.872 -18.308 -10.398 1.00 0.00 H new