USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 590 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 20 LYS NZ :NH3+ -150:sc= 1.18 (180deg=-0.403) USER MOD Set 1.2: A 23 TYR OH : rot 150:sc= 0 USER MOD Set 1.3: A 53 TYR OH : rot 180:sc= 1.04 USER MOD Single : A 1 MET CE :methyl -159:sc= -0.161 (180deg=-0.741) USER MOD Single : A 1 MET N :NH3+ -173:sc= 0 (180deg=-0.0509) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 TYR OH : rot 180:sc= -3.54! USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -121:sc= 0.144 (180deg=-0.138) USER MOD Single : A 29 GLN : amide:sc= -0.122 K(o=-0.12,f=-0.74) USER MOD Single : A 31 HIS : no HE2:sc= -2.08! C(o=-2.1!,f=-8.6!) USER MOD Single : A 34 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0125) USER MOD Single : A 35 ASN : amide:sc= -2.13! X(o=-2.1!,f=-2.4) USER MOD Single : A 38 ASN : amide:sc= -1.25 K(o=-1.3,f=-7.8!) USER MOD Single : A 39 LYS NZ :NH3+ -166:sc= -0.0459 (180deg=-0.244) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 1.34 (180deg=1.34) USER MOD Single : A 45 LYS NZ :NH3+ -173:sc= 0.653 (180deg=0.452) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot -29:sc= 0.0489 USER MOD Single : A 59 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000563) USER MOD Single : A 60 HIS : no HE2:sc= 1.01 K(o=1,f=-4!) USER MOD Single : A 61 LYS NZ :NH3+ -161:sc= 1.25 (180deg=0.789) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.147 3.244 12.497 1.00 0.00 N ATOM 2 CA MET A 1 -10.818 1.822 12.240 1.00 0.00 C ATOM 3 C MET A 1 -10.319 1.647 10.813 1.00 0.00 C ATOM 4 O MET A 1 -11.002 1.066 9.967 1.00 0.00 O ATOM 5 CB MET A 1 -12.041 0.929 12.488 1.00 0.00 C ATOM 6 CG MET A 1 -12.441 0.834 13.952 1.00 0.00 C ATOM 7 SD MET A 1 -13.884 -0.213 14.221 1.00 0.00 S ATOM 8 CE MET A 1 -15.122 0.676 13.276 1.00 0.00 C ATOM 0 H1 MET A 1 -11.372 3.372 13.504 1.00 0.00 H new ATOM 0 H2 MET A 1 -10.332 3.840 12.246 1.00 0.00 H new ATOM 0 H3 MET A 1 -11.968 3.520 11.921 1.00 0.00 H new ATOM 0 HA MET A 1 -10.028 1.522 12.929 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.884 1.315 11.914 1.00 0.00 H new ATOM 0 HB3 MET A 1 -11.831 -0.072 12.112 1.00 0.00 H new ATOM 0 HG2 MET A 1 -11.602 0.442 14.527 1.00 0.00 H new ATOM 0 HG3 MET A 1 -12.649 1.834 14.332 1.00 0.00 H new ATOM 0 HE1 MET A 1 -16.116 0.396 13.625 1.00 0.00 H new ATOM 0 HE2 MET A 1 -14.980 1.749 13.408 1.00 0.00 H new ATOM 0 HE3 MET A 1 -15.024 0.424 12.220 1.00 0.00 H new ATOM 20 N ALA A 2 -9.128 2.170 10.546 1.00 0.00 N ATOM 21 CA ALA A 2 -8.526 2.084 9.225 1.00 0.00 C ATOM 22 C ALA A 2 -7.017 2.240 9.319 1.00 0.00 C ATOM 23 O ALA A 2 -6.509 3.350 9.466 1.00 0.00 O ATOM 24 CB ALA A 2 -9.104 3.150 8.305 1.00 0.00 C ATOM 0 H ALA A 2 -8.558 2.661 11.234 1.00 0.00 H new ATOM 0 HA ALA A 2 -8.753 1.103 8.809 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -8.642 3.071 7.321 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -10.181 3.006 8.213 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -8.904 4.137 8.721 1.00 0.00 H new ATOM 30 N SER A 3 -6.303 1.134 9.212 1.00 0.00 N ATOM 31 CA SER A 3 -4.850 1.144 9.306 1.00 0.00 C ATOM 32 C SER A 3 -4.219 1.550 7.974 1.00 0.00 C ATOM 33 O SER A 3 -3.120 1.123 7.638 1.00 0.00 O ATOM 34 CB SER A 3 -4.357 -0.238 9.733 1.00 0.00 C ATOM 35 OG SER A 3 -5.037 -0.674 10.901 1.00 0.00 O ATOM 0 H SER A 3 -6.707 0.210 9.059 1.00 0.00 H new ATOM 0 HA SER A 3 -4.551 1.879 10.053 1.00 0.00 H new ATOM 0 HB2 SER A 3 -4.517 -0.952 8.925 1.00 0.00 H new ATOM 0 HB3 SER A 3 -3.284 -0.205 9.922 1.00 0.00 H new ATOM 0 HG SER A 3 -4.709 -1.561 11.158 1.00 0.00 H new ATOM 41 N TYR A 4 -4.925 2.397 7.233 1.00 0.00 N ATOM 42 CA TYR A 4 -4.478 2.871 5.926 1.00 0.00 C ATOM 43 C TYR A 4 -3.186 3.683 6.074 1.00 0.00 C ATOM 44 O TYR A 4 -2.273 3.581 5.252 1.00 0.00 O ATOM 45 CB TYR A 4 -5.617 3.709 5.302 1.00 0.00 C ATOM 46 CG TYR A 4 -5.471 4.085 3.837 1.00 0.00 C ATOM 47 CD1 TYR A 4 -4.324 3.800 3.106 1.00 0.00 C ATOM 48 CD2 TYR A 4 -6.526 4.704 3.179 1.00 0.00 C ATOM 49 CE1 TYR A 4 -4.238 4.118 1.762 1.00 0.00 C ATOM 50 CE2 TYR A 4 -6.444 5.032 1.842 1.00 0.00 C ATOM 51 CZ TYR A 4 -5.303 4.734 1.137 1.00 0.00 C ATOM 52 OH TYR A 4 -5.233 5.030 -0.205 1.00 0.00 O ATOM 0 H TYR A 4 -5.827 2.776 7.522 1.00 0.00 H new ATOM 0 HA TYR A 4 -4.253 2.033 5.267 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -6.549 3.155 5.419 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -5.718 4.628 5.880 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -3.487 3.323 3.594 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -7.429 4.933 3.726 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -3.342 3.885 1.205 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -7.273 5.521 1.351 1.00 0.00 H new ATOM 0 HH TYR A 4 -6.066 5.461 -0.489 1.00 0.00 H new ATOM 62 N TYR A 5 -3.092 4.455 7.150 1.00 0.00 N ATOM 63 CA TYR A 5 -1.873 5.200 7.441 1.00 0.00 C ATOM 64 C TYR A 5 -0.728 4.247 7.792 1.00 0.00 C ATOM 65 O TYR A 5 0.438 4.527 7.509 1.00 0.00 O ATOM 66 CB TYR A 5 -2.101 6.236 8.554 1.00 0.00 C ATOM 67 CG TYR A 5 -2.768 5.701 9.803 1.00 0.00 C ATOM 68 CD1 TYR A 5 -2.019 5.156 10.835 1.00 0.00 C ATOM 69 CD2 TYR A 5 -4.148 5.759 9.957 1.00 0.00 C ATOM 70 CE1 TYR A 5 -2.622 4.677 11.980 1.00 0.00 C ATOM 71 CE2 TYR A 5 -4.759 5.286 11.102 1.00 0.00 C ATOM 72 CZ TYR A 5 -3.989 4.744 12.110 1.00 0.00 C ATOM 73 OH TYR A 5 -4.587 4.271 13.255 1.00 0.00 O ATOM 0 H TYR A 5 -3.840 4.581 7.832 1.00 0.00 H new ATOM 0 HA TYR A 5 -1.591 5.748 6.542 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -1.139 6.666 8.831 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -2.710 7.047 8.155 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -0.944 5.106 10.741 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -4.753 6.181 9.168 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -2.022 4.251 12.771 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -5.832 5.340 11.207 1.00 0.00 H new ATOM 0 HH TYR A 5 -5.557 4.392 13.191 1.00 0.00 H new ATOM 83 N GLU A 6 -1.070 3.119 8.407 1.00 0.00 N ATOM 84 CA GLU A 6 -0.082 2.106 8.760 1.00 0.00 C ATOM 85 C GLU A 6 0.405 1.352 7.529 1.00 0.00 C ATOM 86 O GLU A 6 1.603 1.121 7.360 1.00 0.00 O ATOM 87 CB GLU A 6 -0.671 1.110 9.757 1.00 0.00 C ATOM 88 CG GLU A 6 -0.919 1.711 11.120 1.00 0.00 C ATOM 89 CD GLU A 6 0.363 2.162 11.786 1.00 0.00 C ATOM 90 OE1 GLU A 6 1.103 1.302 12.297 1.00 0.00 O ATOM 91 OE2 GLU A 6 0.641 3.380 11.791 1.00 0.00 O ATOM 0 H GLU A 6 -2.026 2.883 8.672 1.00 0.00 H new ATOM 0 HA GLU A 6 0.765 2.621 9.213 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -1.610 0.722 9.362 1.00 0.00 H new ATOM 0 HB3 GLU A 6 0.007 0.263 9.858 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -1.595 2.561 11.023 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -1.417 0.978 11.754 1.00 0.00 H new ATOM 98 N ILE A 7 -0.534 0.976 6.669 1.00 0.00 N ATOM 99 CA ILE A 7 -0.219 0.159 5.507 1.00 0.00 C ATOM 100 C ILE A 7 0.575 0.949 4.473 1.00 0.00 C ATOM 101 O ILE A 7 1.498 0.424 3.848 1.00 0.00 O ATOM 102 CB ILE A 7 -1.498 -0.453 4.860 1.00 0.00 C ATOM 103 CG1 ILE A 7 -2.437 0.615 4.292 1.00 0.00 C ATOM 104 CG2 ILE A 7 -2.247 -1.305 5.869 1.00 0.00 C ATOM 105 CD1 ILE A 7 -2.203 0.925 2.826 1.00 0.00 C ATOM 0 H ILE A 7 -1.519 1.225 6.756 1.00 0.00 H new ATOM 0 HA ILE A 7 0.400 -0.665 5.861 1.00 0.00 H new ATOM 0 HB ILE A 7 -1.163 -1.073 4.029 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -3.468 0.285 4.423 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.320 1.532 4.870 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -3.137 -1.725 5.401 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -1.602 -2.114 6.212 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -2.540 -0.689 6.719 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -2.907 1.690 2.499 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -1.184 1.287 2.689 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -2.350 0.021 2.235 1.00 0.00 H new ATOM 117 N LEU A 8 0.214 2.211 4.296 1.00 0.00 N ATOM 118 CA LEU A 8 0.860 3.046 3.304 1.00 0.00 C ATOM 119 C LEU A 8 1.873 3.977 3.948 1.00 0.00 C ATOM 120 O LEU A 8 3.067 3.676 3.983 1.00 0.00 O ATOM 121 CB LEU A 8 -0.180 3.849 2.527 1.00 0.00 C ATOM 122 CG LEU A 8 0.366 4.634 1.339 1.00 0.00 C ATOM 123 CD1 LEU A 8 0.959 3.695 0.304 1.00 0.00 C ATOM 124 CD2 LEU A 8 -0.731 5.476 0.723 1.00 0.00 C ATOM 0 H LEU A 8 -0.522 2.676 4.827 1.00 0.00 H new ATOM 0 HA LEU A 8 1.393 2.395 2.610 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -0.950 3.166 2.169 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -0.665 4.545 3.211 1.00 0.00 H new ATOM 0 HG LEU A 8 1.158 5.294 1.693 1.00 0.00 H new ATOM 0 HD11 LEU A 8 1.343 4.275 -0.535 1.00 0.00 H new ATOM 0 HD12 LEU A 8 1.772 3.125 0.753 1.00 0.00 H new ATOM 0 HD13 LEU A 8 0.188 3.010 -0.050 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -0.330 6.032 -0.124 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -1.539 4.828 0.382 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -1.115 6.174 1.467 1.00 0.00 H new ATOM 136 N ASP A 9 1.373 5.091 4.478 1.00 0.00 N ATOM 137 CA ASP A 9 2.215 6.140 5.057 1.00 0.00 C ATOM 138 C ASP A 9 1.362 7.339 5.443 1.00 0.00 C ATOM 139 O ASP A 9 1.665 8.054 6.396 1.00 0.00 O ATOM 140 CB ASP A 9 3.298 6.589 4.068 1.00 0.00 C ATOM 141 CG ASP A 9 4.194 7.669 4.641 1.00 0.00 C ATOM 142 OD1 ASP A 9 4.979 7.365 5.566 1.00 0.00 O ATOM 143 OD2 ASP A 9 4.121 8.825 4.169 1.00 0.00 O ATOM 0 H ASP A 9 0.374 5.294 4.519 1.00 0.00 H new ATOM 0 HA ASP A 9 2.699 5.729 5.943 1.00 0.00 H new ATOM 0 HB2 ASP A 9 3.906 5.730 3.784 1.00 0.00 H new ATOM 0 HB3 ASP A 9 2.824 6.959 3.158 1.00 0.00 H new ATOM 148 N VAL A 10 0.274 7.531 4.712 1.00 0.00 N ATOM 149 CA VAL A 10 -0.587 8.692 4.898 1.00 0.00 C ATOM 150 C VAL A 10 -2.003 8.270 5.286 1.00 0.00 C ATOM 151 O VAL A 10 -2.429 7.153 4.991 1.00 0.00 O ATOM 152 CB VAL A 10 -0.650 9.556 3.617 1.00 0.00 C ATOM 153 CG1 VAL A 10 0.716 10.135 3.293 1.00 0.00 C ATOM 154 CG2 VAL A 10 -1.185 8.751 2.437 1.00 0.00 C ATOM 0 H VAL A 10 -0.036 6.893 3.979 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.154 9.283 5.705 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.339 10.380 3.802 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.650 10.739 2.388 1.00 0.00 H new ATOM 0 HG12 VAL A 10 1.053 10.758 4.122 1.00 0.00 H new ATOM 0 HG13 VAL A 10 1.427 9.324 3.136 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.218 9.384 1.550 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -0.531 7.899 2.251 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -2.189 8.394 2.666 1.00 0.00 H new ATOM 164 N PRO A 11 -2.742 9.164 5.964 1.00 0.00 N ATOM 165 CA PRO A 11 -4.116 8.897 6.403 1.00 0.00 C ATOM 166 C PRO A 11 -5.131 9.010 5.264 1.00 0.00 C ATOM 167 O PRO A 11 -4.773 9.290 4.119 1.00 0.00 O ATOM 168 CB PRO A 11 -4.356 9.990 7.443 1.00 0.00 C ATOM 169 CG PRO A 11 -3.516 11.128 6.983 1.00 0.00 C ATOM 170 CD PRO A 11 -2.291 10.514 6.363 1.00 0.00 C ATOM 0 HA PRO A 11 -4.237 7.882 6.782 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -5.409 10.268 7.492 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -4.066 9.660 8.441 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -4.053 11.742 6.260 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -3.248 11.777 7.817 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -1.944 11.090 5.505 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -1.464 10.467 7.071 1.00 0.00 H new ATOM 178 N ARG A 12 -6.404 8.828 5.603 1.00 0.00 N ATOM 179 CA ARG A 12 -7.482 8.793 4.616 1.00 0.00 C ATOM 180 C ARG A 12 -7.858 10.201 4.174 1.00 0.00 C ATOM 181 O ARG A 12 -8.631 10.385 3.234 1.00 0.00 O ATOM 182 CB ARG A 12 -8.702 8.097 5.214 1.00 0.00 C ATOM 183 CG ARG A 12 -8.404 6.701 5.721 1.00 0.00 C ATOM 184 CD ARG A 12 -9.543 6.164 6.568 1.00 0.00 C ATOM 185 NE ARG A 12 -10.809 6.127 5.841 1.00 0.00 N ATOM 186 CZ ARG A 12 -11.989 6.423 6.389 1.00 0.00 C ATOM 187 NH1 ARG A 12 -12.069 6.795 7.662 1.00 0.00 N ATOM 188 NH2 ARG A 12 -13.091 6.349 5.657 1.00 0.00 N ATOM 0 H ARG A 12 -6.718 8.701 6.565 1.00 0.00 H new ATOM 0 HA ARG A 12 -7.135 8.240 3.743 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -9.090 8.700 6.035 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -9.487 8.043 4.460 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -8.232 6.035 4.876 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -7.486 6.714 6.309 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -9.295 5.160 6.911 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -9.656 6.785 7.456 1.00 0.00 H new ATOM 0 HE ARG A 12 -10.790 5.859 4.857 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -11.224 6.856 8.229 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -12.976 7.019 8.072 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -13.035 6.067 4.678 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -13.995 6.574 6.072 1.00 0.00 H new ATOM 202 N SER A 13 -7.310 11.185 4.874 1.00 0.00 N ATOM 203 CA SER A 13 -7.531 12.587 4.544 1.00 0.00 C ATOM 204 C SER A 13 -6.739 12.977 3.296 1.00 0.00 C ATOM 205 O SER A 13 -6.906 14.071 2.752 1.00 0.00 O ATOM 206 CB SER A 13 -7.115 13.462 5.728 1.00 0.00 C ATOM 207 OG SER A 13 -7.652 12.956 6.939 1.00 0.00 O ATOM 0 H SER A 13 -6.704 11.036 5.681 1.00 0.00 H new ATOM 0 HA SER A 13 -8.590 12.739 4.337 1.00 0.00 H new ATOM 0 HB2 SER A 13 -6.028 13.500 5.794 1.00 0.00 H new ATOM 0 HB3 SER A 13 -7.460 14.484 5.570 1.00 0.00 H new ATOM 0 HG SER A 13 -7.374 13.528 7.685 1.00 0.00 H new ATOM 213 N ALA A 14 -5.875 12.077 2.854 1.00 0.00 N ATOM 214 CA ALA A 14 -5.071 12.295 1.677 1.00 0.00 C ATOM 215 C ALA A 14 -5.845 11.916 0.420 1.00 0.00 C ATOM 216 O ALA A 14 -6.643 10.976 0.427 1.00 0.00 O ATOM 217 CB ALA A 14 -3.801 11.475 1.791 1.00 0.00 C ATOM 0 H ALA A 14 -5.716 11.177 3.306 1.00 0.00 H new ATOM 0 HA ALA A 14 -4.815 13.352 1.602 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -3.185 11.633 0.905 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -3.247 11.783 2.678 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -4.056 10.418 1.872 1.00 0.00 H new ATOM 223 N SER A 15 -5.624 12.668 -0.648 1.00 0.00 N ATOM 224 CA SER A 15 -6.269 12.401 -1.923 1.00 0.00 C ATOM 225 C SER A 15 -5.545 11.287 -2.672 1.00 0.00 C ATOM 226 O SER A 15 -4.436 10.906 -2.295 1.00 0.00 O ATOM 227 CB SER A 15 -6.289 13.673 -2.765 1.00 0.00 C ATOM 228 OG SER A 15 -6.793 14.777 -2.023 1.00 0.00 O ATOM 0 H SER A 15 -4.998 13.473 -0.655 1.00 0.00 H new ATOM 0 HA SER A 15 -7.293 12.076 -1.735 1.00 0.00 H new ATOM 0 HB2 SER A 15 -5.281 13.897 -3.114 1.00 0.00 H new ATOM 0 HB3 SER A 15 -6.905 13.516 -3.650 1.00 0.00 H new ATOM 0 HG SER A 15 -6.792 15.578 -2.587 1.00 0.00 H new ATOM 234 N ALA A 16 -6.166 10.773 -3.722 1.00 0.00 N ATOM 235 CA ALA A 16 -5.594 9.667 -4.490 1.00 0.00 C ATOM 236 C ALA A 16 -4.165 9.972 -4.941 1.00 0.00 C ATOM 237 O ALA A 16 -3.275 9.123 -4.834 1.00 0.00 O ATOM 238 CB ALA A 16 -6.472 9.349 -5.691 1.00 0.00 C ATOM 0 H ALA A 16 -7.068 11.102 -4.066 1.00 0.00 H new ATOM 0 HA ALA A 16 -5.555 8.795 -3.837 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.034 8.524 -6.253 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -7.468 9.067 -5.349 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -6.544 10.228 -6.332 1.00 0.00 H new ATOM 244 N ASP A 17 -3.946 11.197 -5.413 1.00 0.00 N ATOM 245 CA ASP A 17 -2.620 11.634 -5.851 1.00 0.00 C ATOM 246 C ASP A 17 -1.620 11.588 -4.705 1.00 0.00 C ATOM 247 O ASP A 17 -0.443 11.276 -4.904 1.00 0.00 O ATOM 248 CB ASP A 17 -2.672 13.056 -6.415 1.00 0.00 C ATOM 249 CG ASP A 17 -3.244 13.120 -7.816 1.00 0.00 C ATOM 250 OD1 ASP A 17 -2.468 12.988 -8.781 1.00 0.00 O ATOM 251 OD2 ASP A 17 -4.469 13.327 -7.956 1.00 0.00 O ATOM 0 H ASP A 17 -4.672 11.908 -5.503 1.00 0.00 H new ATOM 0 HA ASP A 17 -2.296 10.948 -6.633 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -3.274 13.680 -5.755 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -1.666 13.475 -6.420 1.00 0.00 H new ATOM 256 N ASP A 18 -2.091 11.908 -3.506 1.00 0.00 N ATOM 257 CA ASP A 18 -1.239 11.920 -2.322 1.00 0.00 C ATOM 258 C ASP A 18 -0.850 10.496 -1.935 1.00 0.00 C ATOM 259 O ASP A 18 0.307 10.220 -1.626 1.00 0.00 O ATOM 260 CB ASP A 18 -1.940 12.623 -1.155 1.00 0.00 C ATOM 261 CG ASP A 18 -0.980 12.996 -0.041 1.00 0.00 C ATOM 262 OD1 ASP A 18 0.240 12.828 -0.218 1.00 0.00 O ATOM 263 OD2 ASP A 18 -1.442 13.483 1.013 1.00 0.00 O ATOM 0 H ASP A 18 -3.062 12.164 -3.327 1.00 0.00 H new ATOM 0 HA ASP A 18 -0.332 12.477 -2.557 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -2.434 13.523 -1.521 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -2.718 11.972 -0.757 1.00 0.00 H new ATOM 268 N ILE A 19 -1.822 9.586 -1.968 1.00 0.00 N ATOM 269 CA ILE A 19 -1.556 8.175 -1.720 1.00 0.00 C ATOM 270 C ILE A 19 -0.583 7.618 -2.756 1.00 0.00 C ATOM 271 O ILE A 19 0.328 6.857 -2.419 1.00 0.00 O ATOM 272 CB ILE A 19 -2.865 7.348 -1.693 1.00 0.00 C ATOM 273 CG1 ILE A 19 -3.456 7.373 -0.290 1.00 0.00 C ATOM 274 CG2 ILE A 19 -2.657 5.916 -2.162 1.00 0.00 C ATOM 275 CD1 ILE A 19 -4.295 8.592 -0.029 1.00 0.00 C ATOM 0 H ILE A 19 -2.799 9.803 -2.164 1.00 0.00 H new ATOM 0 HA ILE A 19 -1.094 8.093 -0.736 1.00 0.00 H new ATOM 0 HB ILE A 19 -3.563 7.807 -2.393 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -4.065 6.481 -0.142 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.647 7.332 0.440 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -3.605 5.379 -2.124 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -2.283 5.919 -3.186 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -1.934 5.422 -1.513 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -4.688 8.552 0.987 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -3.683 9.487 -0.147 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -5.123 8.623 -0.738 1.00 0.00 H new ATOM 287 N LYS A 20 -0.776 8.003 -4.014 1.00 0.00 N ATOM 288 CA LYS A 20 0.167 7.651 -5.072 1.00 0.00 C ATOM 289 C LYS A 20 1.578 8.114 -4.723 1.00 0.00 C ATOM 290 O LYS A 20 2.546 7.362 -4.855 1.00 0.00 O ATOM 291 CB LYS A 20 -0.258 8.251 -6.414 1.00 0.00 C ATOM 292 CG LYS A 20 -1.366 7.474 -7.104 1.00 0.00 C ATOM 293 CD LYS A 20 -1.673 8.059 -8.471 1.00 0.00 C ATOM 294 CE LYS A 20 -2.581 7.148 -9.281 1.00 0.00 C ATOM 295 NZ LYS A 20 -1.932 5.845 -9.589 1.00 0.00 N ATOM 0 H LYS A 20 -1.574 8.557 -4.326 1.00 0.00 H new ATOM 0 HA LYS A 20 0.165 6.565 -5.160 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -0.590 9.277 -6.255 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.609 8.295 -7.074 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -1.071 6.430 -7.209 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -2.265 7.491 -6.487 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -2.147 9.033 -8.352 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.742 8.222 -9.015 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -3.504 6.972 -8.728 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.856 7.645 -10.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -2.296 5.481 -10.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -0.903 5.978 -9.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.143 5.164 -8.831 1.00 0.00 H new ATOM 309 N LYS A 21 1.686 9.347 -4.259 1.00 0.00 N ATOM 310 CA LYS A 21 2.967 9.905 -3.866 1.00 0.00 C ATOM 311 C LYS A 21 3.544 9.136 -2.676 1.00 0.00 C ATOM 312 O LYS A 21 4.758 8.943 -2.573 1.00 0.00 O ATOM 313 CB LYS A 21 2.807 11.390 -3.527 1.00 0.00 C ATOM 314 CG LYS A 21 4.122 12.152 -3.477 1.00 0.00 C ATOM 315 CD LYS A 21 4.912 11.965 -4.763 1.00 0.00 C ATOM 316 CE LYS A 21 6.200 11.203 -4.513 1.00 0.00 C ATOM 317 NZ LYS A 21 7.246 12.069 -3.909 1.00 0.00 N ATOM 0 H LYS A 21 0.897 9.983 -4.145 1.00 0.00 H new ATOM 0 HA LYS A 21 3.664 9.811 -4.699 1.00 0.00 H new ATOM 0 HB2 LYS A 21 2.156 11.854 -4.268 1.00 0.00 H new ATOM 0 HB3 LYS A 21 2.308 11.481 -2.562 1.00 0.00 H new ATOM 0 HG2 LYS A 21 3.926 13.212 -3.318 1.00 0.00 H new ATOM 0 HG3 LYS A 21 4.714 11.807 -2.629 1.00 0.00 H new ATOM 0 HD2 LYS A 21 4.304 11.427 -5.491 1.00 0.00 H new ATOM 0 HD3 LYS A 21 5.141 12.939 -5.196 1.00 0.00 H new ATOM 0 HE2 LYS A 21 6.001 10.359 -3.852 1.00 0.00 H new ATOM 0 HE3 LYS A 21 6.567 10.792 -5.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 8.110 11.512 -3.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 7.455 12.860 -4.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 6.906 12.441 -2.999 1.00 0.00 H new ATOM 331 N ALA A 22 2.661 8.687 -1.793 1.00 0.00 N ATOM 332 CA ALA A 22 3.059 7.966 -0.592 1.00 0.00 C ATOM 333 C ALA A 22 3.684 6.609 -0.918 1.00 0.00 C ATOM 334 O ALA A 22 4.705 6.240 -0.337 1.00 0.00 O ATOM 335 CB ALA A 22 1.876 7.789 0.342 1.00 0.00 C ATOM 0 H ALA A 22 1.653 8.812 -1.889 1.00 0.00 H new ATOM 0 HA ALA A 22 3.819 8.567 -0.093 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.194 7.248 1.233 1.00 0.00 H new ATOM 0 HB2 ALA A 22 1.490 8.767 0.629 1.00 0.00 H new ATOM 0 HB3 ALA A 22 1.093 7.225 -0.165 1.00 0.00 H new ATOM 341 N TYR A 23 3.092 5.856 -1.843 1.00 0.00 N ATOM 342 CA TYR A 23 3.674 4.571 -2.201 1.00 0.00 C ATOM 343 C TYR A 23 5.016 4.781 -2.883 1.00 0.00 C ATOM 344 O TYR A 23 5.945 4.004 -2.674 1.00 0.00 O ATOM 345 CB TYR A 23 2.736 3.659 -3.029 1.00 0.00 C ATOM 346 CG TYR A 23 2.366 4.114 -4.428 1.00 0.00 C ATOM 347 CD1 TYR A 23 3.318 4.222 -5.436 1.00 0.00 C ATOM 348 CD2 TYR A 23 1.046 4.385 -4.752 1.00 0.00 C ATOM 349 CE1 TYR A 23 2.966 4.599 -6.718 1.00 0.00 C ATOM 350 CE2 TYR A 23 0.689 4.764 -6.030 1.00 0.00 C ATOM 351 CZ TYR A 23 1.648 4.869 -7.007 1.00 0.00 C ATOM 352 OH TYR A 23 1.285 5.251 -8.277 1.00 0.00 O ATOM 0 H TYR A 23 2.238 6.104 -2.342 1.00 0.00 H new ATOM 0 HA TYR A 23 3.829 4.026 -1.270 1.00 0.00 H new ATOM 0 HB2 TYR A 23 3.205 2.678 -3.108 1.00 0.00 H new ATOM 0 HB3 TYR A 23 1.813 3.526 -2.464 1.00 0.00 H new ATOM 0 HD1 TYR A 23 4.353 4.007 -5.213 1.00 0.00 H new ATOM 0 HD2 TYR A 23 0.284 4.298 -3.992 1.00 0.00 H new ATOM 0 HE1 TYR A 23 3.720 4.681 -7.487 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -0.344 4.978 -6.262 1.00 0.00 H new ATOM 0 HH TYR A 23 0.369 4.954 -8.458 1.00 0.00 H new ATOM 362 N ARG A 24 5.114 5.832 -3.696 1.00 0.00 N ATOM 363 CA ARG A 24 6.367 6.152 -4.367 1.00 0.00 C ATOM 364 C ARG A 24 7.496 6.351 -3.360 1.00 0.00 C ATOM 365 O ARG A 24 8.579 5.806 -3.534 1.00 0.00 O ATOM 366 CB ARG A 24 6.223 7.408 -5.231 1.00 0.00 C ATOM 367 CG ARG A 24 5.324 7.223 -6.432 1.00 0.00 C ATOM 368 CD ARG A 24 5.110 8.538 -7.147 1.00 0.00 C ATOM 369 NE ARG A 24 6.349 9.062 -7.725 1.00 0.00 N ATOM 370 CZ ARG A 24 6.490 9.401 -9.007 1.00 0.00 C ATOM 371 NH1 ARG A 24 5.479 9.247 -9.854 1.00 0.00 N ATOM 372 NH2 ARG A 24 7.645 9.891 -9.441 1.00 0.00 N ATOM 0 H ARG A 24 4.346 6.470 -3.903 1.00 0.00 H new ATOM 0 HA ARG A 24 6.614 5.307 -5.010 1.00 0.00 H new ATOM 0 HB2 ARG A 24 5.830 8.218 -4.616 1.00 0.00 H new ATOM 0 HB3 ARG A 24 7.211 7.718 -5.573 1.00 0.00 H new ATOM 0 HG2 ARG A 24 5.767 6.499 -7.116 1.00 0.00 H new ATOM 0 HG3 ARG A 24 4.364 6.815 -6.115 1.00 0.00 H new ATOM 0 HD2 ARG A 24 4.371 8.404 -7.937 1.00 0.00 H new ATOM 0 HD3 ARG A 24 4.701 9.267 -6.448 1.00 0.00 H new ATOM 0 HE ARG A 24 7.154 9.175 -7.109 1.00 0.00 H new ATOM 0 HH11 ARG A 24 4.591 8.868 -9.525 1.00 0.00 H new ATOM 0 HH12 ARG A 24 5.590 9.507 -10.834 1.00 0.00 H new ATOM 0 HH21 ARG A 24 8.425 10.008 -8.794 1.00 0.00 H new ATOM 0 HH22 ARG A 24 7.753 10.150 -10.422 1.00 0.00 H new ATOM 386 N ARG A 25 7.232 7.087 -2.283 1.00 0.00 N ATOM 387 CA ARG A 25 8.272 7.367 -1.296 1.00 0.00 C ATOM 388 C ARG A 25 8.678 6.083 -0.569 1.00 0.00 C ATOM 389 O ARG A 25 9.848 5.889 -0.221 1.00 0.00 O ATOM 390 CB ARG A 25 7.818 8.445 -0.298 1.00 0.00 C ATOM 391 CG ARG A 25 6.833 7.959 0.755 1.00 0.00 C ATOM 392 CD ARG A 25 6.370 9.090 1.659 1.00 0.00 C ATOM 393 NE ARG A 25 7.492 9.814 2.251 1.00 0.00 N ATOM 394 CZ ARG A 25 7.433 10.465 3.414 1.00 0.00 C ATOM 395 NH1 ARG A 25 6.345 10.385 4.173 1.00 0.00 N ATOM 396 NH2 ARG A 25 8.478 11.171 3.826 1.00 0.00 N ATOM 0 H ARG A 25 6.321 7.495 -2.073 1.00 0.00 H new ATOM 0 HA ARG A 25 9.144 7.754 -1.823 1.00 0.00 H new ATOM 0 HB2 ARG A 25 8.697 8.849 0.205 1.00 0.00 H new ATOM 0 HB3 ARG A 25 7.362 9.265 -0.852 1.00 0.00 H new ATOM 0 HG2 ARG A 25 5.970 7.509 0.265 1.00 0.00 H new ATOM 0 HG3 ARG A 25 7.300 7.180 1.358 1.00 0.00 H new ATOM 0 HD2 ARG A 25 5.754 9.783 1.086 1.00 0.00 H new ATOM 0 HD3 ARG A 25 5.741 8.685 2.452 1.00 0.00 H new ATOM 0 HE ARG A 25 8.377 9.822 1.743 1.00 0.00 H new ATOM 0 HH11 ARG A 25 5.550 9.824 3.867 1.00 0.00 H new ATOM 0 HH12 ARG A 25 6.305 10.885 5.061 1.00 0.00 H new ATOM 0 HH21 ARG A 25 9.322 11.214 3.254 1.00 0.00 H new ATOM 0 HH22 ARG A 25 8.438 11.670 4.714 1.00 0.00 H new ATOM 410 N LYS A 26 7.711 5.195 -0.358 1.00 0.00 N ATOM 411 CA LYS A 26 7.994 3.897 0.232 1.00 0.00 C ATOM 412 C LYS A 26 8.827 3.054 -0.729 1.00 0.00 C ATOM 413 O LYS A 26 9.734 2.342 -0.309 1.00 0.00 O ATOM 414 CB LYS A 26 6.692 3.181 0.597 1.00 0.00 C ATOM 415 CG LYS A 26 6.882 1.728 1.002 1.00 0.00 C ATOM 416 CD LYS A 26 5.608 1.140 1.578 1.00 0.00 C ATOM 417 CE LYS A 26 5.376 1.618 3.005 1.00 0.00 C ATOM 418 NZ LYS A 26 4.178 0.991 3.622 1.00 0.00 N ATOM 0 H LYS A 26 6.729 5.352 -0.587 1.00 0.00 H new ATOM 0 HA LYS A 26 8.568 4.043 1.147 1.00 0.00 H new ATOM 0 HB2 LYS A 26 6.211 3.716 1.416 1.00 0.00 H new ATOM 0 HB3 LYS A 26 6.013 3.225 -0.255 1.00 0.00 H new ATOM 0 HG2 LYS A 26 7.193 1.145 0.135 1.00 0.00 H new ATOM 0 HG3 LYS A 26 7.682 1.656 1.738 1.00 0.00 H new ATOM 0 HD2 LYS A 26 4.760 1.423 0.955 1.00 0.00 H new ATOM 0 HD3 LYS A 26 5.667 0.052 1.561 1.00 0.00 H new ATOM 0 HE2 LYS A 26 6.254 1.391 3.609 1.00 0.00 H new ATOM 0 HE3 LYS A 26 5.259 2.702 3.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 3.504 1.732 3.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 3.726 0.355 2.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 4.464 0.447 4.461 1.00 0.00 H new ATOM 432 N ALA A 27 8.518 3.159 -2.017 1.00 0.00 N ATOM 433 CA ALA A 27 9.273 2.464 -3.056 1.00 0.00 C ATOM 434 C ALA A 27 10.757 2.806 -2.985 1.00 0.00 C ATOM 435 O ALA A 27 11.614 1.940 -3.158 1.00 0.00 O ATOM 436 CB ALA A 27 8.715 2.801 -4.430 1.00 0.00 C ATOM 0 H ALA A 27 7.744 3.723 -2.369 1.00 0.00 H new ATOM 0 HA ALA A 27 9.169 1.392 -2.887 1.00 0.00 H new ATOM 0 HB1 ALA A 27 9.288 2.276 -5.194 1.00 0.00 H new ATOM 0 HB2 ALA A 27 7.671 2.494 -4.484 1.00 0.00 H new ATOM 0 HB3 ALA A 27 8.786 3.876 -4.598 1.00 0.00 H new ATOM 442 N LEU A 28 11.054 4.077 -2.733 1.00 0.00 N ATOM 443 CA LEU A 28 12.436 4.514 -2.543 1.00 0.00 C ATOM 444 C LEU A 28 13.030 3.917 -1.269 1.00 0.00 C ATOM 445 O LEU A 28 14.218 3.594 -1.225 1.00 0.00 O ATOM 446 CB LEU A 28 12.553 6.045 -2.500 1.00 0.00 C ATOM 447 CG LEU A 28 12.543 6.760 -3.860 1.00 0.00 C ATOM 448 CD1 LEU A 28 13.361 5.995 -4.890 1.00 0.00 C ATOM 449 CD2 LEU A 28 11.127 6.972 -4.350 1.00 0.00 C ATOM 0 H LEU A 28 10.361 4.821 -2.656 1.00 0.00 H new ATOM 0 HA LEU A 28 13.000 4.154 -3.403 1.00 0.00 H new ATOM 0 HB2 LEU A 28 11.731 6.436 -1.900 1.00 0.00 H new ATOM 0 HB3 LEU A 28 13.476 6.305 -1.982 1.00 0.00 H new ATOM 0 HG LEU A 28 13.005 7.738 -3.724 1.00 0.00 H new ATOM 0 HD11 LEU A 28 13.335 6.525 -5.842 1.00 0.00 H new ATOM 0 HD12 LEU A 28 14.393 5.914 -4.548 1.00 0.00 H new ATOM 0 HD13 LEU A 28 12.942 4.997 -5.019 1.00 0.00 H new ATOM 0 HD21 LEU A 28 11.148 7.480 -5.314 1.00 0.00 H new ATOM 0 HD22 LEU A 28 10.631 6.007 -4.459 1.00 0.00 H new ATOM 0 HD23 LEU A 28 10.580 7.582 -3.631 1.00 0.00 H new ATOM 461 N GLN A 29 12.206 3.782 -0.234 1.00 0.00 N ATOM 462 CA GLN A 29 12.663 3.257 1.053 1.00 0.00 C ATOM 463 C GLN A 29 13.172 1.811 0.946 1.00 0.00 C ATOM 464 O GLN A 29 14.124 1.437 1.634 1.00 0.00 O ATOM 465 CB GLN A 29 11.540 3.349 2.092 1.00 0.00 C ATOM 466 CG GLN A 29 11.951 2.895 3.485 1.00 0.00 C ATOM 467 CD GLN A 29 13.152 3.657 4.022 1.00 0.00 C ATOM 468 OE1 GLN A 29 13.365 4.826 3.696 1.00 0.00 O ATOM 469 NE2 GLN A 29 13.954 2.996 4.839 1.00 0.00 N ATOM 0 H GLN A 29 11.217 4.029 -0.260 1.00 0.00 H new ATOM 0 HA GLN A 29 13.504 3.872 1.373 1.00 0.00 H new ATOM 0 HB2 GLN A 29 11.191 4.380 2.145 1.00 0.00 H new ATOM 0 HB3 GLN A 29 10.698 2.744 1.757 1.00 0.00 H new ATOM 0 HG2 GLN A 29 11.110 3.023 4.167 1.00 0.00 H new ATOM 0 HG3 GLN A 29 12.183 1.830 3.462 1.00 0.00 H new ATOM 0 HE21 GLN A 29 13.745 2.029 5.087 1.00 0.00 H new ATOM 0 HE22 GLN A 29 14.781 3.453 5.222 1.00 0.00 H new ATOM 478 N TRP A 30 12.562 1.000 0.081 1.00 0.00 N ATOM 479 CA TRP A 30 13.020 -0.381 -0.099 1.00 0.00 C ATOM 480 C TRP A 30 13.779 -0.531 -1.411 1.00 0.00 C ATOM 481 O TRP A 30 14.081 -1.640 -1.850 1.00 0.00 O ATOM 482 CB TRP A 30 11.861 -1.392 -0.019 1.00 0.00 C ATOM 483 CG TRP A 30 10.698 -1.120 -0.935 1.00 0.00 C ATOM 484 CD1 TRP A 30 9.502 -0.568 -0.582 1.00 0.00 C ATOM 485 CD2 TRP A 30 10.604 -1.411 -2.338 1.00 0.00 C ATOM 486 NE1 TRP A 30 8.678 -0.480 -1.678 1.00 0.00 N ATOM 487 CE2 TRP A 30 9.330 -0.989 -2.766 1.00 0.00 C ATOM 488 CE3 TRP A 30 11.474 -1.973 -3.278 1.00 0.00 C ATOM 489 CZ2 TRP A 30 8.908 -1.116 -4.087 1.00 0.00 C ATOM 490 CZ3 TRP A 30 11.051 -2.101 -4.588 1.00 0.00 C ATOM 491 CH2 TRP A 30 9.777 -1.673 -4.982 1.00 0.00 C ATOM 0 H TRP A 30 11.765 1.267 -0.497 1.00 0.00 H new ATOM 0 HA TRP A 30 13.699 -0.605 0.724 1.00 0.00 H new ATOM 0 HB2 TRP A 30 12.252 -2.385 -0.242 1.00 0.00 H new ATOM 0 HB3 TRP A 30 11.494 -1.417 1.007 1.00 0.00 H new ATOM 0 HD1 TRP A 30 9.240 -0.246 0.415 1.00 0.00 H new ATOM 0 HE1 TRP A 30 7.733 -0.097 -1.679 1.00 0.00 H new ATOM 0 HE3 TRP A 30 12.460 -2.302 -2.985 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 7.927 -0.785 -4.394 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 11.714 -2.538 -5.320 1.00 0.00 H new ATOM 0 HH2 TRP A 30 9.476 -1.785 -6.013 1.00 0.00 H new ATOM 502 N HIS A 31 14.109 0.600 -2.008 1.00 0.00 N ATOM 503 CA HIS A 31 14.873 0.628 -3.245 1.00 0.00 C ATOM 504 C HIS A 31 16.320 0.235 -2.937 1.00 0.00 C ATOM 505 O HIS A 31 16.853 0.608 -1.897 1.00 0.00 O ATOM 506 CB HIS A 31 14.791 2.041 -3.844 1.00 0.00 C ATOM 507 CG HIS A 31 15.121 2.133 -5.301 1.00 0.00 C ATOM 508 ND1 HIS A 31 16.278 2.709 -5.770 1.00 0.00 N ATOM 509 CD2 HIS A 31 14.427 1.740 -6.398 1.00 0.00 C ATOM 510 CE1 HIS A 31 16.287 2.669 -7.088 1.00 0.00 C ATOM 511 NE2 HIS A 31 15.176 2.086 -7.493 1.00 0.00 N ATOM 0 H HIS A 31 13.857 1.522 -1.652 1.00 0.00 H new ATOM 0 HA HIS A 31 14.471 -0.078 -3.972 1.00 0.00 H new ATOM 0 HB2 HIS A 31 13.783 2.426 -3.691 1.00 0.00 H new ATOM 0 HB3 HIS A 31 15.468 2.693 -3.292 1.00 0.00 H new ATOM 0 HD1 HIS A 31 17.016 3.106 -5.188 1.00 0.00 H new ATOM 0 HD2 HIS A 31 13.466 1.248 -6.407 1.00 0.00 H new ATOM 0 HE1 HIS A 31 17.071 3.049 -7.727 1.00 0.00 H new ATOM 520 N PRO A 32 16.966 -0.529 -3.845 1.00 0.00 N ATOM 521 CA PRO A 32 18.267 -1.193 -3.597 1.00 0.00 C ATOM 522 C PRO A 32 19.379 -0.258 -3.129 1.00 0.00 C ATOM 523 O PRO A 32 20.317 -0.689 -2.457 1.00 0.00 O ATOM 524 CB PRO A 32 18.637 -1.787 -4.962 1.00 0.00 C ATOM 525 CG PRO A 32 17.758 -1.082 -5.931 1.00 0.00 C ATOM 526 CD PRO A 32 16.481 -0.835 -5.194 1.00 0.00 C ATOM 0 HA PRO A 32 18.168 -1.918 -2.789 1.00 0.00 H new ATOM 0 HB2 PRO A 32 19.690 -1.625 -5.192 1.00 0.00 H new ATOM 0 HB3 PRO A 32 18.468 -2.864 -4.984 1.00 0.00 H new ATOM 0 HG2 PRO A 32 18.208 -0.147 -6.263 1.00 0.00 H new ATOM 0 HG3 PRO A 32 17.588 -1.687 -6.821 1.00 0.00 H new ATOM 0 HD2 PRO A 32 15.915 -0.007 -5.622 1.00 0.00 H new ATOM 0 HD3 PRO A 32 15.827 -1.707 -5.205 1.00 0.00 H new ATOM 534 N ASP A 33 19.306 1.003 -3.514 1.00 0.00 N ATOM 535 CA ASP A 33 20.302 1.973 -3.079 1.00 0.00 C ATOM 536 C ASP A 33 20.146 2.285 -1.588 1.00 0.00 C ATOM 537 O ASP A 33 21.123 2.591 -0.903 1.00 0.00 O ATOM 538 CB ASP A 33 20.220 3.252 -3.911 1.00 0.00 C ATOM 539 CG ASP A 33 18.962 4.054 -3.670 1.00 0.00 C ATOM 540 OD1 ASP A 33 17.856 3.515 -3.875 1.00 0.00 O ATOM 541 OD2 ASP A 33 19.078 5.235 -3.285 1.00 0.00 O ATOM 0 H ASP A 33 18.577 1.380 -4.120 1.00 0.00 H new ATOM 0 HA ASP A 33 21.287 1.533 -3.232 1.00 0.00 H new ATOM 0 HB2 ASP A 33 21.086 3.876 -3.689 1.00 0.00 H new ATOM 0 HB3 ASP A 33 20.277 2.992 -4.968 1.00 0.00 H new ATOM 546 N LYS A 34 18.919 2.191 -1.092 1.00 0.00 N ATOM 547 CA LYS A 34 18.640 2.369 0.333 1.00 0.00 C ATOM 548 C LYS A 34 18.688 1.032 1.068 1.00 0.00 C ATOM 549 O LYS A 34 19.296 0.920 2.134 1.00 0.00 O ATOM 550 CB LYS A 34 17.267 3.013 0.557 1.00 0.00 C ATOM 551 CG LYS A 34 17.303 4.518 0.781 1.00 0.00 C ATOM 552 CD LYS A 34 17.735 5.264 -0.465 1.00 0.00 C ATOM 553 CE LYS A 34 17.630 6.770 -0.279 1.00 0.00 C ATOM 554 NZ LYS A 34 18.594 7.285 0.731 1.00 0.00 N ATOM 0 H LYS A 34 18.094 1.991 -1.657 1.00 0.00 H new ATOM 0 HA LYS A 34 19.411 3.030 0.730 1.00 0.00 H new ATOM 0 HB2 LYS A 34 16.636 2.802 -0.306 1.00 0.00 H new ATOM 0 HB3 LYS A 34 16.795 2.542 1.419 1.00 0.00 H new ATOM 0 HG2 LYS A 34 16.315 4.863 1.087 1.00 0.00 H new ATOM 0 HG3 LYS A 34 17.988 4.747 1.597 1.00 0.00 H new ATOM 0 HD2 LYS A 34 18.763 4.998 -0.711 1.00 0.00 H new ATOM 0 HD3 LYS A 34 17.115 4.957 -1.307 1.00 0.00 H new ATOM 0 HE2 LYS A 34 17.809 7.265 -1.234 1.00 0.00 H new ATOM 0 HE3 LYS A 34 16.616 7.026 0.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 18.531 8.322 0.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 18.366 6.886 1.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 19.560 7.007 0.463 1.00 0.00 H new ATOM 568 N ASN A 35 18.047 0.023 0.492 1.00 0.00 N ATOM 569 CA ASN A 35 17.997 -1.303 1.097 1.00 0.00 C ATOM 570 C ASN A 35 18.973 -2.217 0.358 1.00 0.00 C ATOM 571 O ASN A 35 18.920 -2.327 -0.862 1.00 0.00 O ATOM 572 CB ASN A 35 16.560 -1.838 0.987 1.00 0.00 C ATOM 573 CG ASN A 35 16.303 -3.069 1.829 1.00 0.00 C ATOM 574 OD1 ASN A 35 16.861 -3.234 2.913 1.00 0.00 O ATOM 575 ND2 ASN A 35 15.436 -3.936 1.341 1.00 0.00 N ATOM 0 H ASN A 35 17.552 0.098 -0.397 1.00 0.00 H new ATOM 0 HA ASN A 35 18.281 -1.263 2.149 1.00 0.00 H new ATOM 0 HB2 ASN A 35 15.866 -1.053 1.286 1.00 0.00 H new ATOM 0 HB3 ASN A 35 16.347 -2.071 -0.056 1.00 0.00 H new ATOM 0 HD21 ASN A 35 15.207 -4.779 1.867 1.00 0.00 H new ATOM 0 HD22 ASN A 35 14.995 -3.763 0.438 1.00 0.00 H new ATOM 582 N PRO A 36 19.855 -2.919 1.094 1.00 0.00 N ATOM 583 CA PRO A 36 20.993 -3.610 0.505 1.00 0.00 C ATOM 584 C PRO A 36 20.734 -5.067 0.107 1.00 0.00 C ATOM 585 O PRO A 36 20.136 -5.337 -0.931 1.00 0.00 O ATOM 586 CB PRO A 36 22.045 -3.523 1.614 1.00 0.00 C ATOM 587 CG PRO A 36 21.286 -3.350 2.900 1.00 0.00 C ATOM 588 CD PRO A 36 19.843 -3.061 2.552 1.00 0.00 C ATOM 0 HA PRO A 36 21.280 -3.153 -0.442 1.00 0.00 H new ATOM 0 HB2 PRO A 36 22.657 -4.425 1.642 1.00 0.00 H new ATOM 0 HB3 PRO A 36 22.720 -2.684 1.445 1.00 0.00 H new ATOM 0 HG2 PRO A 36 21.359 -4.250 3.510 1.00 0.00 H new ATOM 0 HG3 PRO A 36 21.708 -2.533 3.486 1.00 0.00 H new ATOM 0 HD2 PRO A 36 19.185 -3.870 2.869 1.00 0.00 H new ATOM 0 HD3 PRO A 36 19.489 -2.153 3.039 1.00 0.00 H new ATOM 596 N ASP A 37 21.185 -6.000 0.940 1.00 0.00 N ATOM 597 CA ASP A 37 21.221 -7.412 0.561 1.00 0.00 C ATOM 598 C ASP A 37 19.896 -8.110 0.847 1.00 0.00 C ATOM 599 O ASP A 37 19.676 -9.243 0.422 1.00 0.00 O ATOM 600 CB ASP A 37 22.361 -8.117 1.300 1.00 0.00 C ATOM 601 CG ASP A 37 22.499 -9.582 0.926 1.00 0.00 C ATOM 602 OD1 ASP A 37 22.942 -9.873 -0.209 1.00 0.00 O ATOM 603 OD2 ASP A 37 22.183 -10.446 1.768 1.00 0.00 O ATOM 0 H ASP A 37 21.530 -5.806 1.880 1.00 0.00 H new ATOM 0 HA ASP A 37 21.393 -7.466 -0.514 1.00 0.00 H new ATOM 0 HB2 ASP A 37 23.298 -7.604 1.084 1.00 0.00 H new ATOM 0 HB3 ASP A 37 22.194 -8.037 2.374 1.00 0.00 H new ATOM 608 N ASN A 38 18.999 -7.426 1.532 1.00 0.00 N ATOM 609 CA ASN A 38 17.718 -8.021 1.866 1.00 0.00 C ATOM 610 C ASN A 38 16.682 -7.632 0.825 1.00 0.00 C ATOM 611 O ASN A 38 16.121 -6.541 0.870 1.00 0.00 O ATOM 612 CB ASN A 38 17.273 -7.569 3.260 1.00 0.00 C ATOM 613 CG ASN A 38 16.076 -8.342 3.788 1.00 0.00 C ATOM 614 OD1 ASN A 38 15.195 -8.757 3.033 1.00 0.00 O ATOM 615 ND2 ASN A 38 16.038 -8.541 5.095 1.00 0.00 N ATOM 0 H ASN A 38 19.130 -6.471 1.864 1.00 0.00 H new ATOM 0 HA ASN A 38 17.819 -9.106 1.872 1.00 0.00 H new ATOM 0 HB2 ASN A 38 18.105 -7.683 3.954 1.00 0.00 H new ATOM 0 HB3 ASN A 38 17.027 -6.508 3.229 1.00 0.00 H new ATOM 0 HD21 ASN A 38 15.260 -9.054 5.510 1.00 0.00 H new ATOM 0 HD22 ASN A 38 16.787 -8.182 5.688 1.00 0.00 H new ATOM 622 N LYS A 39 16.420 -8.537 -0.101 1.00 0.00 N ATOM 623 CA LYS A 39 15.431 -8.297 -1.139 1.00 0.00 C ATOM 624 C LYS A 39 14.087 -8.859 -0.714 1.00 0.00 C ATOM 625 O LYS A 39 13.046 -8.477 -1.250 1.00 0.00 O ATOM 626 CB LYS A 39 15.860 -8.914 -2.475 1.00 0.00 C ATOM 627 CG LYS A 39 16.970 -8.154 -3.195 1.00 0.00 C ATOM 628 CD LYS A 39 18.328 -8.348 -2.537 1.00 0.00 C ATOM 629 CE LYS A 39 19.415 -7.561 -3.258 1.00 0.00 C ATOM 630 NZ LYS A 39 19.540 -7.962 -4.686 1.00 0.00 N ATOM 0 H LYS A 39 16.879 -9.446 -0.156 1.00 0.00 H new ATOM 0 HA LYS A 39 15.345 -7.220 -1.280 1.00 0.00 H new ATOM 0 HB2 LYS A 39 16.193 -9.937 -2.298 1.00 0.00 H new ATOM 0 HB3 LYS A 39 14.991 -8.970 -3.131 1.00 0.00 H new ATOM 0 HG2 LYS A 39 17.021 -8.487 -4.232 1.00 0.00 H new ATOM 0 HG3 LYS A 39 16.727 -7.092 -3.213 1.00 0.00 H new ATOM 0 HD2 LYS A 39 18.278 -8.031 -1.495 1.00 0.00 H new ATOM 0 HD3 LYS A 39 18.585 -9.407 -2.535 1.00 0.00 H new ATOM 0 HE2 LYS A 39 19.191 -6.496 -3.199 1.00 0.00 H new ATOM 0 HE3 LYS A 39 20.369 -7.715 -2.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 20.428 -7.587 -5.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 19.542 -9.000 -4.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 18.737 -7.580 -5.225 1.00 0.00 H new ATOM 644 N GLU A 40 14.128 -9.758 0.270 1.00 0.00 N ATOM 645 CA GLU A 40 12.928 -10.395 0.797 1.00 0.00 C ATOM 646 C GLU A 40 11.925 -9.335 1.247 1.00 0.00 C ATOM 647 O GLU A 40 10.745 -9.390 0.899 1.00 0.00 O ATOM 648 CB GLU A 40 13.312 -11.286 1.987 1.00 0.00 C ATOM 649 CG GLU A 40 12.163 -12.101 2.560 1.00 0.00 C ATOM 650 CD GLU A 40 11.709 -13.209 1.634 1.00 0.00 C ATOM 651 OE1 GLU A 40 10.818 -12.966 0.800 1.00 0.00 O ATOM 652 OE2 GLU A 40 12.241 -14.335 1.742 1.00 0.00 O ATOM 0 H GLU A 40 14.991 -10.062 0.720 1.00 0.00 H new ATOM 0 HA GLU A 40 12.469 -11.002 0.017 1.00 0.00 H new ATOM 0 HB2 GLU A 40 14.104 -11.967 1.674 1.00 0.00 H new ATOM 0 HB3 GLU A 40 13.725 -10.658 2.777 1.00 0.00 H new ATOM 0 HG2 GLU A 40 12.470 -12.533 3.512 1.00 0.00 H new ATOM 0 HG3 GLU A 40 11.322 -11.439 2.766 1.00 0.00 H new ATOM 659 N PHE A 41 12.419 -8.339 1.977 1.00 0.00 N ATOM 660 CA PHE A 41 11.581 -7.236 2.430 1.00 0.00 C ATOM 661 C PHE A 41 11.204 -6.311 1.289 1.00 0.00 C ATOM 662 O PHE A 41 10.064 -5.863 1.204 1.00 0.00 O ATOM 663 CB PHE A 41 12.260 -6.428 3.530 1.00 0.00 C ATOM 664 CG PHE A 41 12.040 -6.974 4.909 1.00 0.00 C ATOM 665 CD1 PHE A 41 10.871 -6.685 5.597 1.00 0.00 C ATOM 666 CD2 PHE A 41 12.993 -7.766 5.520 1.00 0.00 C ATOM 667 CE1 PHE A 41 10.661 -7.178 6.869 1.00 0.00 C ATOM 668 CE2 PHE A 41 12.788 -8.261 6.793 1.00 0.00 C ATOM 669 CZ PHE A 41 11.621 -7.967 7.469 1.00 0.00 C ATOM 0 H PHE A 41 13.395 -8.274 2.267 1.00 0.00 H new ATOM 0 HA PHE A 41 10.673 -7.687 2.832 1.00 0.00 H new ATOM 0 HB2 PHE A 41 13.331 -6.391 3.331 1.00 0.00 H new ATOM 0 HB3 PHE A 41 11.893 -5.402 3.493 1.00 0.00 H new ATOM 0 HD1 PHE A 41 10.117 -6.067 5.132 1.00 0.00 H new ATOM 0 HD2 PHE A 41 13.908 -8.001 4.997 1.00 0.00 H new ATOM 0 HE1 PHE A 41 9.746 -6.946 7.394 1.00 0.00 H new ATOM 0 HE2 PHE A 41 13.541 -8.878 7.260 1.00 0.00 H new ATOM 0 HZ PHE A 41 11.460 -8.353 8.465 1.00 0.00 H new ATOM 679 N ALA A 42 12.154 -6.033 0.403 1.00 0.00 N ATOM 680 CA ALA A 42 11.924 -5.063 -0.661 1.00 0.00 C ATOM 681 C ALA A 42 10.795 -5.516 -1.589 1.00 0.00 C ATOM 682 O ALA A 42 9.901 -4.734 -1.914 1.00 0.00 O ATOM 683 CB ALA A 42 13.209 -4.819 -1.447 1.00 0.00 C ATOM 0 H ALA A 42 13.080 -6.460 0.399 1.00 0.00 H new ATOM 0 HA ALA A 42 11.617 -4.123 -0.202 1.00 0.00 H new ATOM 0 HB1 ALA A 42 13.020 -4.093 -2.237 1.00 0.00 H new ATOM 0 HB2 ALA A 42 13.978 -4.434 -0.777 1.00 0.00 H new ATOM 0 HB3 ALA A 42 13.549 -5.756 -1.889 1.00 0.00 H new ATOM 689 N GLU A 43 10.816 -6.782 -1.998 1.00 0.00 N ATOM 690 CA GLU A 43 9.752 -7.312 -2.842 1.00 0.00 C ATOM 691 C GLU A 43 8.460 -7.480 -2.051 1.00 0.00 C ATOM 692 O GLU A 43 7.369 -7.250 -2.573 1.00 0.00 O ATOM 693 CB GLU A 43 10.154 -8.627 -3.520 1.00 0.00 C ATOM 694 CG GLU A 43 10.529 -9.753 -2.573 1.00 0.00 C ATOM 695 CD GLU A 43 10.898 -11.017 -3.322 1.00 0.00 C ATOM 696 OE1 GLU A 43 11.850 -10.976 -4.131 1.00 0.00 O ATOM 697 OE2 GLU A 43 10.243 -12.057 -3.109 1.00 0.00 O ATOM 0 H GLU A 43 11.548 -7.451 -1.762 1.00 0.00 H new ATOM 0 HA GLU A 43 9.578 -6.583 -3.633 1.00 0.00 H new ATOM 0 HB2 GLU A 43 9.328 -8.961 -4.148 1.00 0.00 H new ATOM 0 HB3 GLU A 43 10.999 -8.433 -4.181 1.00 0.00 H new ATOM 0 HG2 GLU A 43 11.368 -9.441 -1.951 1.00 0.00 H new ATOM 0 HG3 GLU A 43 9.694 -9.958 -1.903 1.00 0.00 H new ATOM 704 N LYS A 44 8.586 -7.887 -0.791 1.00 0.00 N ATOM 705 CA LYS A 44 7.422 -8.125 0.047 1.00 0.00 C ATOM 706 C LYS A 44 6.676 -6.823 0.314 1.00 0.00 C ATOM 707 O LYS A 44 5.450 -6.787 0.284 1.00 0.00 O ATOM 708 CB LYS A 44 7.836 -8.782 1.362 1.00 0.00 C ATOM 709 CG LYS A 44 6.805 -9.759 1.903 1.00 0.00 C ATOM 710 CD LYS A 44 6.457 -10.824 0.871 1.00 0.00 C ATOM 711 CE LYS A 44 7.696 -11.546 0.359 1.00 0.00 C ATOM 712 NZ LYS A 44 8.366 -12.333 1.423 1.00 0.00 N ATOM 0 H LYS A 44 9.481 -8.058 -0.332 1.00 0.00 H new ATOM 0 HA LYS A 44 6.752 -8.802 -0.483 1.00 0.00 H new ATOM 0 HB2 LYS A 44 8.780 -9.307 1.215 1.00 0.00 H new ATOM 0 HB3 LYS A 44 8.015 -8.006 2.106 1.00 0.00 H new ATOM 0 HG2 LYS A 44 7.190 -10.235 2.805 1.00 0.00 H new ATOM 0 HG3 LYS A 44 5.903 -9.218 2.189 1.00 0.00 H new ATOM 0 HD2 LYS A 44 5.772 -11.548 1.313 1.00 0.00 H new ATOM 0 HD3 LYS A 44 5.935 -10.361 0.034 1.00 0.00 H new ATOM 0 HE2 LYS A 44 7.416 -12.209 -0.459 1.00 0.00 H new ATOM 0 HE3 LYS A 44 8.397 -10.817 -0.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 9.204 -12.807 1.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 8.658 -11.698 2.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 7.707 -13.047 1.794 1.00 0.00 H new ATOM 726 N LYS A 45 7.421 -5.749 0.547 1.00 0.00 N ATOM 727 CA LYS A 45 6.815 -4.445 0.774 1.00 0.00 C ATOM 728 C LYS A 45 6.188 -3.928 -0.505 1.00 0.00 C ATOM 729 O LYS A 45 5.148 -3.275 -0.472 1.00 0.00 O ATOM 730 CB LYS A 45 7.832 -3.444 1.327 1.00 0.00 C ATOM 731 CG LYS A 45 8.238 -3.753 2.756 1.00 0.00 C ATOM 732 CD LYS A 45 7.013 -3.999 3.614 1.00 0.00 C ATOM 733 CE LYS A 45 7.368 -4.296 5.058 1.00 0.00 C ATOM 734 NZ LYS A 45 6.157 -4.592 5.870 1.00 0.00 N ATOM 0 H LYS A 45 8.440 -5.756 0.583 1.00 0.00 H new ATOM 0 HA LYS A 45 6.032 -4.562 1.523 1.00 0.00 H new ATOM 0 HB2 LYS A 45 8.719 -3.445 0.693 1.00 0.00 H new ATOM 0 HB3 LYS A 45 7.409 -2.440 1.282 1.00 0.00 H new ATOM 0 HG2 LYS A 45 8.885 -4.630 2.775 1.00 0.00 H new ATOM 0 HG3 LYS A 45 8.815 -2.923 3.164 1.00 0.00 H new ATOM 0 HD2 LYS A 45 6.364 -3.124 3.575 1.00 0.00 H new ATOM 0 HD3 LYS A 45 6.447 -4.835 3.203 1.00 0.00 H new ATOM 0 HE2 LYS A 45 8.050 -5.145 5.098 1.00 0.00 H new ATOM 0 HE3 LYS A 45 7.895 -3.443 5.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 6.422 -4.673 6.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 5.466 -3.823 5.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 5.735 -5.487 5.550 1.00 0.00 H new ATOM 748 N PHE A 46 6.826 -4.231 -1.630 1.00 0.00 N ATOM 749 CA PHE A 46 6.258 -3.927 -2.936 1.00 0.00 C ATOM 750 C PHE A 46 4.911 -4.630 -3.095 1.00 0.00 C ATOM 751 O PHE A 46 3.943 -4.047 -3.584 1.00 0.00 O ATOM 752 CB PHE A 46 7.220 -4.361 -4.048 1.00 0.00 C ATOM 753 CG PHE A 46 6.647 -4.235 -5.432 1.00 0.00 C ATOM 754 CD1 PHE A 46 6.540 -2.998 -6.042 1.00 0.00 C ATOM 755 CD2 PHE A 46 6.220 -5.359 -6.122 1.00 0.00 C ATOM 756 CE1 PHE A 46 6.015 -2.882 -7.316 1.00 0.00 C ATOM 757 CE2 PHE A 46 5.694 -5.249 -7.393 1.00 0.00 C ATOM 758 CZ PHE A 46 5.591 -4.009 -7.992 1.00 0.00 C ATOM 0 H PHE A 46 7.738 -4.687 -1.663 1.00 0.00 H new ATOM 0 HA PHE A 46 6.104 -2.851 -3.012 1.00 0.00 H new ATOM 0 HB2 PHE A 46 8.127 -3.760 -3.985 1.00 0.00 H new ATOM 0 HB3 PHE A 46 7.511 -5.398 -3.879 1.00 0.00 H new ATOM 0 HD1 PHE A 46 6.870 -2.113 -5.518 1.00 0.00 H new ATOM 0 HD2 PHE A 46 6.300 -6.332 -5.660 1.00 0.00 H new ATOM 0 HE1 PHE A 46 5.937 -1.911 -7.782 1.00 0.00 H new ATOM 0 HE2 PHE A 46 5.363 -6.132 -7.919 1.00 0.00 H new ATOM 0 HZ PHE A 46 5.180 -3.921 -8.987 1.00 0.00 H new ATOM 768 N LYS A 47 4.858 -5.882 -2.664 1.00 0.00 N ATOM 769 CA LYS A 47 3.630 -6.659 -2.711 1.00 0.00 C ATOM 770 C LYS A 47 2.587 -6.082 -1.755 1.00 0.00 C ATOM 771 O LYS A 47 1.412 -5.947 -2.113 1.00 0.00 O ATOM 772 CB LYS A 47 3.923 -8.117 -2.357 1.00 0.00 C ATOM 773 CG LYS A 47 2.711 -9.026 -2.455 1.00 0.00 C ATOM 774 CD LYS A 47 3.053 -10.448 -2.052 1.00 0.00 C ATOM 775 CE LYS A 47 1.843 -11.359 -2.162 1.00 0.00 C ATOM 776 NZ LYS A 47 2.158 -12.753 -1.759 1.00 0.00 N ATOM 0 H LYS A 47 5.657 -6.383 -2.276 1.00 0.00 H new ATOM 0 HA LYS A 47 3.228 -6.612 -3.723 1.00 0.00 H new ATOM 0 HB2 LYS A 47 4.702 -8.493 -3.020 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.319 -8.162 -1.342 1.00 0.00 H new ATOM 0 HG2 LYS A 47 1.916 -8.646 -1.814 1.00 0.00 H new ATOM 0 HG3 LYS A 47 2.329 -9.017 -3.476 1.00 0.00 H new ATOM 0 HD2 LYS A 47 3.854 -10.826 -2.687 1.00 0.00 H new ATOM 0 HD3 LYS A 47 3.427 -10.458 -1.028 1.00 0.00 H new ATOM 0 HE2 LYS A 47 1.040 -10.973 -1.534 1.00 0.00 H new ATOM 0 HE3 LYS A 47 1.476 -11.352 -3.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 1.305 -13.341 -1.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 2.906 -13.132 -2.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 2.483 -12.764 -0.771 1.00 0.00 H new ATOM 790 N GLU A 48 3.032 -5.713 -0.556 1.00 0.00 N ATOM 791 CA GLU A 48 2.142 -5.177 0.466 1.00 0.00 C ATOM 792 C GLU A 48 1.515 -3.864 0.018 1.00 0.00 C ATOM 793 O GLU A 48 0.316 -3.654 0.185 1.00 0.00 O ATOM 794 CB GLU A 48 2.899 -4.938 1.779 1.00 0.00 C ATOM 795 CG GLU A 48 3.267 -6.201 2.541 1.00 0.00 C ATOM 796 CD GLU A 48 3.979 -5.895 3.848 1.00 0.00 C ATOM 797 OE1 GLU A 48 3.502 -5.021 4.600 1.00 0.00 O ATOM 798 OE2 GLU A 48 5.014 -6.534 4.135 1.00 0.00 O ATOM 0 H GLU A 48 4.009 -5.777 -0.269 1.00 0.00 H new ATOM 0 HA GLU A 48 1.356 -5.915 0.625 1.00 0.00 H new ATOM 0 HB2 GLU A 48 3.812 -4.383 1.560 1.00 0.00 H new ATOM 0 HB3 GLU A 48 2.289 -4.306 2.424 1.00 0.00 H new ATOM 0 HG2 GLU A 48 2.364 -6.775 2.747 1.00 0.00 H new ATOM 0 HG3 GLU A 48 3.907 -6.826 1.918 1.00 0.00 H new ATOM 805 N VAL A 49 2.321 -2.981 -0.557 1.00 0.00 N ATOM 806 CA VAL A 49 1.825 -1.684 -0.980 1.00 0.00 C ATOM 807 C VAL A 49 0.943 -1.805 -2.217 1.00 0.00 C ATOM 808 O VAL A 49 -0.066 -1.116 -2.325 1.00 0.00 O ATOM 809 CB VAL A 49 2.964 -0.667 -1.228 1.00 0.00 C ATOM 810 CG1 VAL A 49 3.919 -1.144 -2.301 1.00 0.00 C ATOM 811 CG2 VAL A 49 2.400 0.697 -1.584 1.00 0.00 C ATOM 0 H VAL A 49 3.312 -3.140 -0.739 1.00 0.00 H new ATOM 0 HA VAL A 49 1.221 -1.302 -0.157 1.00 0.00 H new ATOM 0 HB VAL A 49 3.529 -0.579 -0.300 1.00 0.00 H new ATOM 0 HG11 VAL A 49 4.704 -0.402 -2.445 1.00 0.00 H new ATOM 0 HG12 VAL A 49 4.366 -2.090 -1.996 1.00 0.00 H new ATOM 0 HG13 VAL A 49 3.376 -1.284 -3.236 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.219 1.396 -1.754 1.00 0.00 H new ATOM 0 HG22 VAL A 49 1.797 0.617 -2.489 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.778 1.059 -0.765 1.00 0.00 H new ATOM 821 N ALA A 50 1.305 -2.693 -3.136 1.00 0.00 N ATOM 822 CA ALA A 50 0.560 -2.821 -4.380 1.00 0.00 C ATOM 823 C ALA A 50 -0.885 -3.228 -4.116 1.00 0.00 C ATOM 824 O ALA A 50 -1.814 -2.616 -4.643 1.00 0.00 O ATOM 825 CB ALA A 50 1.234 -3.832 -5.293 1.00 0.00 C ATOM 0 H ALA A 50 2.099 -3.327 -3.045 1.00 0.00 H new ATOM 0 HA ALA A 50 0.552 -1.848 -4.872 1.00 0.00 H new ATOM 0 HB1 ALA A 50 0.668 -3.919 -6.220 1.00 0.00 H new ATOM 0 HB2 ALA A 50 2.248 -3.501 -5.517 1.00 0.00 H new ATOM 0 HB3 ALA A 50 1.270 -4.802 -4.798 1.00 0.00 H new ATOM 831 N GLU A 51 -1.072 -4.216 -3.250 1.00 0.00 N ATOM 832 CA GLU A 51 -2.411 -4.695 -2.932 1.00 0.00 C ATOM 833 C GLU A 51 -3.164 -3.679 -2.078 1.00 0.00 C ATOM 834 O GLU A 51 -4.331 -3.383 -2.327 1.00 0.00 O ATOM 835 CB GLU A 51 -2.349 -6.049 -2.215 1.00 0.00 C ATOM 836 CG GLU A 51 -1.581 -6.023 -0.902 1.00 0.00 C ATOM 837 CD GLU A 51 -1.551 -7.372 -0.218 1.00 0.00 C ATOM 838 OE1 GLU A 51 -1.153 -8.365 -0.862 1.00 0.00 O ATOM 839 OE2 GLU A 51 -1.923 -7.442 0.975 1.00 0.00 O ATOM 0 H GLU A 51 -0.319 -4.698 -2.758 1.00 0.00 H new ATOM 0 HA GLU A 51 -2.951 -4.824 -3.870 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -3.365 -6.393 -2.022 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -1.887 -6.779 -2.879 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -0.559 -5.692 -1.090 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -2.035 -5.291 -0.234 1.00 0.00 H new ATOM 846 N ALA A 52 -2.468 -3.123 -1.094 1.00 0.00 N ATOM 847 CA ALA A 52 -3.086 -2.247 -0.115 1.00 0.00 C ATOM 848 C ALA A 52 -3.441 -0.892 -0.711 1.00 0.00 C ATOM 849 O ALA A 52 -4.489 -0.326 -0.405 1.00 0.00 O ATOM 850 CB ALA A 52 -2.166 -2.087 1.080 1.00 0.00 C ATOM 0 H ALA A 52 -1.468 -3.267 -0.955 1.00 0.00 H new ATOM 0 HA ALA A 52 -4.020 -2.705 0.210 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -2.633 -1.429 1.813 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -1.984 -3.062 1.532 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.219 -1.655 0.755 1.00 0.00 H new ATOM 856 N TYR A 53 -2.571 -0.375 -1.566 1.00 0.00 N ATOM 857 CA TYR A 53 -2.816 0.905 -2.208 1.00 0.00 C ATOM 858 C TYR A 53 -3.936 0.773 -3.232 1.00 0.00 C ATOM 859 O TYR A 53 -4.824 1.618 -3.294 1.00 0.00 O ATOM 860 CB TYR A 53 -1.527 1.443 -2.855 1.00 0.00 C ATOM 861 CG TYR A 53 -1.713 2.010 -4.247 1.00 0.00 C ATOM 862 CD1 TYR A 53 -2.399 3.198 -4.450 1.00 0.00 C ATOM 863 CD2 TYR A 53 -1.205 1.350 -5.358 1.00 0.00 C ATOM 864 CE1 TYR A 53 -2.577 3.711 -5.715 1.00 0.00 C ATOM 865 CE2 TYR A 53 -1.379 1.859 -6.631 1.00 0.00 C ATOM 866 CZ TYR A 53 -2.066 3.041 -6.803 1.00 0.00 C ATOM 867 OH TYR A 53 -2.237 3.558 -8.067 1.00 0.00 O ATOM 0 H TYR A 53 -1.693 -0.821 -1.830 1.00 0.00 H new ATOM 0 HA TYR A 53 -3.131 1.624 -1.451 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -1.110 2.219 -2.213 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -0.794 0.637 -2.899 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -2.801 3.730 -3.600 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -0.665 0.424 -5.225 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -3.116 4.637 -5.853 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -0.979 1.334 -7.486 1.00 0.00 H new ATOM 0 HH TYR A 53 -1.816 2.964 -8.723 1.00 0.00 H new ATOM 877 N GLU A 54 -3.908 -0.307 -3.999 1.00 0.00 N ATOM 878 CA GLU A 54 -4.890 -0.528 -5.055 1.00 0.00 C ATOM 879 C GLU A 54 -6.304 -0.547 -4.475 1.00 0.00 C ATOM 880 O GLU A 54 -7.192 0.162 -4.957 1.00 0.00 O ATOM 881 CB GLU A 54 -4.592 -1.857 -5.757 1.00 0.00 C ATOM 882 CG GLU A 54 -4.831 -1.842 -7.261 1.00 0.00 C ATOM 883 CD GLU A 54 -6.273 -1.591 -7.644 1.00 0.00 C ATOM 884 OE1 GLU A 54 -7.103 -2.510 -7.503 1.00 0.00 O ATOM 885 OE2 GLU A 54 -6.578 -0.478 -8.117 1.00 0.00 O ATOM 0 H GLU A 54 -3.213 -1.048 -3.910 1.00 0.00 H new ATOM 0 HA GLU A 54 -4.826 0.286 -5.777 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -3.553 -2.128 -5.569 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -5.210 -2.636 -5.311 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -4.205 -1.072 -7.712 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -4.514 -2.797 -7.680 1.00 0.00 H new ATOM 892 N VAL A 55 -6.498 -1.331 -3.419 1.00 0.00 N ATOM 893 CA VAL A 55 -7.811 -1.461 -2.802 1.00 0.00 C ATOM 894 C VAL A 55 -8.234 -0.175 -2.070 1.00 0.00 C ATOM 895 O VAL A 55 -9.368 0.279 -2.204 1.00 0.00 O ATOM 896 CB VAL A 55 -7.872 -2.677 -1.836 1.00 0.00 C ATOM 897 CG1 VAL A 55 -6.864 -2.548 -0.702 1.00 0.00 C ATOM 898 CG2 VAL A 55 -9.276 -2.850 -1.281 1.00 0.00 C ATOM 0 H VAL A 55 -5.765 -1.884 -2.975 1.00 0.00 H new ATOM 0 HA VAL A 55 -8.518 -1.633 -3.613 1.00 0.00 H new ATOM 0 HB VAL A 55 -7.610 -3.565 -2.412 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.938 -3.417 -0.049 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.857 -2.489 -1.115 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -7.074 -1.645 -0.129 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -9.298 -3.706 -0.607 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -9.565 -1.952 -0.736 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -9.974 -3.016 -2.102 1.00 0.00 H new ATOM 908 N LEU A 56 -7.322 0.408 -1.300 1.00 0.00 N ATOM 909 CA LEU A 56 -7.641 1.572 -0.479 1.00 0.00 C ATOM 910 C LEU A 56 -7.775 2.861 -1.285 1.00 0.00 C ATOM 911 O LEU A 56 -8.534 3.752 -0.902 1.00 0.00 O ATOM 912 CB LEU A 56 -6.587 1.734 0.613 1.00 0.00 C ATOM 913 CG LEU A 56 -6.814 0.900 1.875 1.00 0.00 C ATOM 914 CD1 LEU A 56 -5.509 0.738 2.616 1.00 0.00 C ATOM 915 CD2 LEU A 56 -7.838 1.562 2.784 1.00 0.00 C ATOM 0 H LEU A 56 -6.354 0.094 -1.227 1.00 0.00 H new ATOM 0 HA LEU A 56 -8.618 1.390 -0.033 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -5.614 1.473 0.196 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -6.541 2.785 0.897 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.194 -0.078 1.580 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -5.672 0.144 3.515 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -4.786 0.234 1.974 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -5.125 1.719 2.895 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -7.983 0.951 3.675 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -7.481 2.550 3.076 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -8.785 1.661 2.254 1.00 0.00 H new ATOM 927 N SER A 57 -7.055 2.966 -2.394 1.00 0.00 N ATOM 928 CA SER A 57 -7.078 4.190 -3.188 1.00 0.00 C ATOM 929 C SER A 57 -8.320 4.237 -4.068 1.00 0.00 C ATOM 930 O SER A 57 -8.702 5.301 -4.559 1.00 0.00 O ATOM 931 CB SER A 57 -5.826 4.304 -4.060 1.00 0.00 C ATOM 932 OG SER A 57 -5.742 5.582 -4.675 1.00 0.00 O ATOM 0 H SER A 57 -6.454 2.229 -2.762 1.00 0.00 H new ATOM 0 HA SER A 57 -7.099 5.031 -2.495 1.00 0.00 H new ATOM 0 HB2 SER A 57 -4.939 4.132 -3.451 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.842 3.529 -4.826 1.00 0.00 H new ATOM 0 HG SER A 57 -6.644 5.936 -4.817 1.00 0.00 H new ATOM 938 N ASP A 58 -8.945 3.086 -4.275 1.00 0.00 N ATOM 939 CA ASP A 58 -10.115 3.016 -5.136 1.00 0.00 C ATOM 940 C ASP A 58 -11.355 2.704 -4.312 1.00 0.00 C ATOM 941 O ASP A 58 -11.389 1.736 -3.552 1.00 0.00 O ATOM 942 CB ASP A 58 -9.929 1.965 -6.225 1.00 0.00 C ATOM 943 CG ASP A 58 -10.898 2.162 -7.373 1.00 0.00 C ATOM 944 OD1 ASP A 58 -12.108 1.939 -7.179 1.00 0.00 O ATOM 945 OD2 ASP A 58 -10.449 2.540 -8.476 1.00 0.00 O ATOM 0 H ASP A 58 -8.664 2.196 -3.862 1.00 0.00 H new ATOM 0 HA ASP A 58 -10.243 3.986 -5.617 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.907 2.009 -6.601 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -10.069 0.972 -5.798 1.00 0.00 H new ATOM 950 N LYS A 59 -12.375 3.531 -4.477 1.00 0.00 N ATOM 951 CA LYS A 59 -13.579 3.447 -3.657 1.00 0.00 C ATOM 952 C LYS A 59 -14.351 2.188 -3.988 1.00 0.00 C ATOM 953 O LYS A 59 -15.054 1.631 -3.147 1.00 0.00 O ATOM 954 CB LYS A 59 -14.466 4.686 -3.840 1.00 0.00 C ATOM 955 CG LYS A 59 -13.835 5.972 -3.326 1.00 0.00 C ATOM 956 CD LYS A 59 -12.712 6.446 -4.235 1.00 0.00 C ATOM 957 CE LYS A 59 -11.834 7.494 -3.562 1.00 0.00 C ATOM 958 NZ LYS A 59 -12.581 8.743 -3.252 1.00 0.00 N ATOM 0 H LYS A 59 -12.395 4.274 -5.176 1.00 0.00 H new ATOM 0 HA LYS A 59 -13.274 3.409 -2.611 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -14.697 4.803 -4.899 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -15.412 4.524 -3.323 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -14.597 6.748 -3.253 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -13.447 5.811 -2.320 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -12.099 5.594 -4.528 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -13.137 6.862 -5.149 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -11.422 7.082 -2.641 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -10.991 7.729 -4.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -11.938 9.432 -2.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -12.967 9.143 -4.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -13.360 8.528 -2.597 1.00 0.00 H new ATOM 972 N HIS A 60 -14.209 1.751 -5.226 1.00 0.00 N ATOM 973 CA HIS A 60 -14.862 0.523 -5.681 1.00 0.00 C ATOM 974 C HIS A 60 -14.226 -0.675 -4.991 1.00 0.00 C ATOM 975 O HIS A 60 -14.912 -1.580 -4.519 1.00 0.00 O ATOM 976 CB HIS A 60 -14.735 0.336 -7.199 1.00 0.00 C ATOM 977 CG HIS A 60 -15.186 1.501 -8.017 1.00 0.00 C ATOM 978 ND1 HIS A 60 -14.317 2.439 -8.525 1.00 0.00 N ATOM 979 CD2 HIS A 60 -16.414 1.856 -8.448 1.00 0.00 C ATOM 980 CE1 HIS A 60 -14.991 3.322 -9.234 1.00 0.00 C ATOM 981 NE2 HIS A 60 -16.268 2.990 -9.205 1.00 0.00 N ATOM 0 H HIS A 60 -13.650 2.222 -5.938 1.00 0.00 H new ATOM 0 HA HIS A 60 -15.920 0.601 -5.430 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -13.693 0.125 -7.438 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -15.313 -0.540 -7.492 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -13.308 2.449 -8.376 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -17.340 1.342 -8.236 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -14.570 4.172 -9.751 1.00 0.00 H new ATOM 990 N LYS A 61 -12.903 -0.650 -4.916 1.00 0.00 N ATOM 991 CA LYS A 61 -12.146 -1.734 -4.306 1.00 0.00 C ATOM 992 C LYS A 61 -12.359 -1.750 -2.798 1.00 0.00 C ATOM 993 O LYS A 61 -12.464 -2.816 -2.188 1.00 0.00 O ATOM 994 CB LYS A 61 -10.654 -1.612 -4.635 1.00 0.00 C ATOM 995 CG LYS A 61 -10.262 -2.158 -6.006 1.00 0.00 C ATOM 996 CD LYS A 61 -10.970 -1.435 -7.143 1.00 0.00 C ATOM 997 CE LYS A 61 -10.593 -2.013 -8.498 1.00 0.00 C ATOM 998 NZ LYS A 61 -9.193 -1.688 -8.885 1.00 0.00 N ATOM 0 H LYS A 61 -12.329 0.114 -5.272 1.00 0.00 H new ATOM 0 HA LYS A 61 -12.509 -2.675 -4.719 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -10.367 -0.562 -4.581 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -10.082 -2.139 -3.871 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -9.184 -2.066 -6.136 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -10.499 -3.221 -6.052 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -12.049 -1.507 -7.004 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -10.715 -0.376 -7.115 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -10.719 -3.095 -8.476 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -11.275 -1.628 -9.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -9.079 -1.810 -9.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -8.982 -0.703 -8.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -8.538 -2.324 -8.386 1.00 0.00 H new ATOM 1012 N ARG A 62 -12.432 -0.563 -2.203 1.00 0.00 N ATOM 1013 CA ARG A 62 -12.730 -0.435 -0.782 1.00 0.00 C ATOM 1014 C ARG A 62 -14.066 -1.079 -0.446 1.00 0.00 C ATOM 1015 O ARG A 62 -14.217 -1.698 0.610 1.00 0.00 O ATOM 1016 CB ARG A 62 -12.740 1.032 -0.358 1.00 0.00 C ATOM 1017 CG ARG A 62 -11.390 1.534 0.121 1.00 0.00 C ATOM 1018 CD ARG A 62 -10.905 0.736 1.324 1.00 0.00 C ATOM 1019 NE ARG A 62 -11.888 0.733 2.408 1.00 0.00 N ATOM 1020 CZ ARG A 62 -11.836 -0.062 3.478 1.00 0.00 C ATOM 1021 NH1 ARG A 62 -10.815 -0.894 3.656 1.00 0.00 N ATOM 1022 NH2 ARG A 62 -12.807 -0.007 4.380 1.00 0.00 N ATOM 0 H ARG A 62 -12.288 0.325 -2.685 1.00 0.00 H new ATOM 0 HA ARG A 62 -11.945 -0.954 -0.232 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -13.068 1.643 -1.199 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -13.472 1.167 0.438 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -10.662 1.458 -0.687 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -11.464 2.589 0.386 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -10.697 -0.290 1.020 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -9.967 1.158 1.685 1.00 0.00 H new ATOM 0 HE ARG A 62 -12.669 1.386 2.341 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -10.060 -0.929 2.971 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -10.786 -1.497 4.478 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -13.586 0.640 4.252 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -12.775 -0.611 5.201 1.00 0.00 H new ATOM 1036 N GLU A 63 -15.034 -0.929 -1.342 1.00 0.00 N ATOM 1037 CA GLU A 63 -16.326 -1.570 -1.169 1.00 0.00 C ATOM 1038 C GLU A 63 -16.183 -3.081 -1.254 1.00 0.00 C ATOM 1039 O GLU A 63 -16.735 -3.808 -0.432 1.00 0.00 O ATOM 1040 CB GLU A 63 -17.328 -1.078 -2.218 1.00 0.00 C ATOM 1041 CG GLU A 63 -17.752 0.368 -2.026 1.00 0.00 C ATOM 1042 CD GLU A 63 -18.400 0.608 -0.675 1.00 0.00 C ATOM 1043 OE1 GLU A 63 -17.675 0.652 0.339 1.00 0.00 O ATOM 1044 OE2 GLU A 63 -19.637 0.759 -0.620 1.00 0.00 O ATOM 0 H GLU A 63 -14.947 -0.371 -2.191 1.00 0.00 H new ATOM 0 HA GLU A 63 -16.704 -1.304 -0.182 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -16.888 -1.190 -3.209 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -18.213 -1.714 -2.189 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -16.881 1.015 -2.128 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -18.450 0.647 -2.815 1.00 0.00 H new ATOM 1051 N ILE A 64 -15.395 -3.547 -2.214 1.00 0.00 N ATOM 1052 CA ILE A 64 -15.215 -4.977 -2.432 1.00 0.00 C ATOM 1053 C ILE A 64 -14.546 -5.628 -1.226 1.00 0.00 C ATOM 1054 O ILE A 64 -14.981 -6.678 -0.759 1.00 0.00 O ATOM 1055 CB ILE A 64 -14.372 -5.256 -3.699 1.00 0.00 C ATOM 1056 CG1 ILE A 64 -15.103 -4.759 -4.950 1.00 0.00 C ATOM 1057 CG2 ILE A 64 -14.048 -6.740 -3.829 1.00 0.00 C ATOM 1058 CD1 ILE A 64 -16.452 -5.415 -5.170 1.00 0.00 C ATOM 0 H ILE A 64 -14.869 -2.954 -2.856 1.00 0.00 H new ATOM 0 HA ILE A 64 -16.206 -5.408 -2.572 1.00 0.00 H new ATOM 0 HB ILE A 64 -13.432 -4.712 -3.603 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -15.242 -3.681 -4.874 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -14.475 -4.939 -5.822 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -13.455 -6.905 -4.728 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -13.483 -7.067 -2.956 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -14.975 -7.310 -3.895 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -16.909 -5.013 -6.074 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -16.320 -6.491 -5.279 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -17.098 -5.213 -4.316 1.00 0.00 H new ATOM 1070 N TYR A 65 -13.514 -4.981 -0.704 1.00 0.00 N ATOM 1071 CA TYR A 65 -12.776 -5.522 0.425 1.00 0.00 C ATOM 1072 C TYR A 65 -13.643 -5.545 1.681 1.00 0.00 C ATOM 1073 O TYR A 65 -13.563 -6.475 2.484 1.00 0.00 O ATOM 1074 CB TYR A 65 -11.510 -4.710 0.681 1.00 0.00 C ATOM 1075 CG TYR A 65 -10.570 -5.354 1.675 1.00 0.00 C ATOM 1076 CD1 TYR A 65 -9.858 -6.496 1.335 1.00 0.00 C ATOM 1077 CD2 TYR A 65 -10.395 -4.825 2.948 1.00 0.00 C ATOM 1078 CE1 TYR A 65 -9.003 -7.097 2.236 1.00 0.00 C ATOM 1079 CE2 TYR A 65 -9.539 -5.420 3.854 1.00 0.00 C ATOM 1080 CZ TYR A 65 -8.846 -6.554 3.492 1.00 0.00 C ATOM 1081 OH TYR A 65 -7.996 -7.157 4.392 1.00 0.00 O ATOM 0 H TYR A 65 -13.170 -4.083 -1.044 1.00 0.00 H new ATOM 0 HA TYR A 65 -12.493 -6.545 0.179 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -10.984 -4.565 -0.263 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -11.790 -3.721 1.045 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -9.975 -6.921 0.349 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -10.937 -3.935 3.233 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -8.460 -7.988 1.958 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -9.414 -4.999 4.840 1.00 0.00 H new ATOM 0 HH TYR A 65 -7.996 -6.651 5.231 1.00 0.00 H new ATOM 1091 N ASP A 66 -14.468 -4.521 1.847 1.00 0.00 N ATOM 1092 CA ASP A 66 -15.319 -4.416 3.028 1.00 0.00 C ATOM 1093 C ASP A 66 -16.471 -5.415 2.976 1.00 0.00 C ATOM 1094 O ASP A 66 -16.737 -6.129 3.945 1.00 0.00 O ATOM 1095 CB ASP A 66 -15.877 -2.998 3.142 1.00 0.00 C ATOM 1096 CG ASP A 66 -16.718 -2.787 4.387 1.00 0.00 C ATOM 1097 OD1 ASP A 66 -17.947 -3.017 4.330 1.00 0.00 O ATOM 1098 OD2 ASP A 66 -16.159 -2.374 5.422 1.00 0.00 O ATOM 0 H ASP A 66 -14.568 -3.753 1.183 1.00 0.00 H new ATOM 0 HA ASP A 66 -14.709 -4.645 3.902 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -15.050 -2.288 3.145 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -16.481 -2.780 2.261 1.00 0.00 H new ATOM 1103 N ARG A 67 -17.127 -5.488 1.827 1.00 0.00 N ATOM 1104 CA ARG A 67 -18.331 -6.300 1.692 1.00 0.00 C ATOM 1105 C ARG A 67 -17.994 -7.774 1.468 1.00 0.00 C ATOM 1106 O ARG A 67 -18.583 -8.648 2.101 1.00 0.00 O ATOM 1107 CB ARG A 67 -19.217 -5.761 0.554 1.00 0.00 C ATOM 1108 CG ARG A 67 -18.731 -6.108 -0.848 1.00 0.00 C ATOM 1109 CD ARG A 67 -19.033 -5.003 -1.846 1.00 0.00 C ATOM 1110 NE ARG A 67 -20.455 -4.693 -1.944 1.00 0.00 N ATOM 1111 CZ ARG A 67 -20.981 -3.520 -1.599 1.00 0.00 C ATOM 1112 NH1 ARG A 67 -20.245 -2.612 -0.971 1.00 0.00 N ATOM 1113 NH2 ARG A 67 -22.253 -3.272 -1.850 1.00 0.00 N ATOM 0 H ARG A 67 -16.849 -4.998 0.977 1.00 0.00 H new ATOM 0 HA ARG A 67 -18.886 -6.232 2.628 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -20.227 -6.152 0.681 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -19.281 -4.677 0.644 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -17.657 -6.291 -0.824 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -19.205 -7.033 -1.177 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -18.490 -4.103 -1.558 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -18.663 -5.298 -2.828 1.00 0.00 H new ATOM 0 HE ARG A 67 -21.082 -5.416 -2.297 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -19.269 -2.811 -0.750 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -20.655 -1.715 -0.710 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -22.830 -3.978 -2.307 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -22.659 -2.374 -1.587 1.00 0.00 H new ATOM 1127 N TYR A 68 -17.025 -8.048 0.601 1.00 0.00 N ATOM 1128 CA TYR A 68 -16.720 -9.418 0.210 1.00 0.00 C ATOM 1129 C TYR A 68 -15.588 -9.976 1.067 1.00 0.00 C ATOM 1130 O TYR A 68 -15.313 -11.172 1.053 1.00 0.00 O ATOM 1131 CB TYR A 68 -16.338 -9.457 -1.274 1.00 0.00 C ATOM 1132 CG TYR A 68 -16.313 -10.843 -1.881 1.00 0.00 C ATOM 1133 CD1 TYR A 68 -17.484 -11.452 -2.309 1.00 0.00 C ATOM 1134 CD2 TYR A 68 -15.117 -11.536 -2.039 1.00 0.00 C ATOM 1135 CE1 TYR A 68 -17.468 -12.712 -2.873 1.00 0.00 C ATOM 1136 CE2 TYR A 68 -15.093 -12.797 -2.601 1.00 0.00 C ATOM 1137 CZ TYR A 68 -16.271 -13.379 -3.018 1.00 0.00 C ATOM 1138 OH TYR A 68 -16.252 -14.634 -3.581 1.00 0.00 O ATOM 0 H TYR A 68 -16.439 -7.341 0.157 1.00 0.00 H new ATOM 0 HA TYR A 68 -17.603 -10.038 0.366 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -17.043 -8.842 -1.834 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -15.354 -9.004 -1.395 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -18.424 -10.932 -2.199 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -14.192 -11.080 -1.717 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -18.389 -13.173 -3.199 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -14.157 -13.324 -2.713 1.00 0.00 H new ATOM 0 HH TYR A 68 -15.330 -14.965 -3.612 1.00 0.00 H new ATOM 1148 N GLY A 69 -14.953 -9.100 1.828 1.00 0.00 N ATOM 1149 CA GLY A 69 -13.901 -9.523 2.729 1.00 0.00 C ATOM 1150 C GLY A 69 -14.446 -10.319 3.884 1.00 0.00 C ATOM 1151 O GLY A 69 -13.944 -11.393 4.217 1.00 0.00 O ATOM 0 H GLY A 69 -15.148 -8.099 1.838 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -13.174 -10.124 2.183 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -13.372 -8.648 3.107 1.00 0.00 H new ATOM 1155 N ARG A 70 -15.468 -9.766 4.508 1.00 0.00 N ATOM 1156 CA ARG A 70 -16.168 -10.426 5.605 1.00 0.00 C ATOM 1157 C ARG A 70 -16.885 -11.694 5.144 1.00 0.00 C ATOM 1158 O ARG A 70 -17.143 -12.589 5.949 1.00 0.00 O ATOM 1159 CB ARG A 70 -17.161 -9.466 6.256 1.00 0.00 C ATOM 1160 CG ARG A 70 -16.493 -8.280 6.923 1.00 0.00 C ATOM 1161 CD ARG A 70 -15.476 -8.740 7.955 1.00 0.00 C ATOM 1162 NE ARG A 70 -14.927 -7.629 8.730 1.00 0.00 N ATOM 1163 CZ ARG A 70 -13.627 -7.455 8.963 1.00 0.00 C ATOM 1164 NH1 ARG A 70 -12.734 -8.265 8.409 1.00 0.00 N ATOM 1165 NH2 ARG A 70 -13.216 -6.461 9.740 1.00 0.00 N ATOM 0 H ARG A 70 -15.840 -8.846 4.272 1.00 0.00 H new ATOM 0 HA ARG A 70 -15.418 -10.720 6.340 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -17.857 -9.105 5.499 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -17.749 -10.008 6.997 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -16.000 -7.664 6.170 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -17.247 -7.655 7.402 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -15.946 -9.454 8.631 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -14.664 -9.265 7.452 1.00 0.00 H new ATOM 0 HE ARG A 70 -15.579 -6.946 9.116 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -13.042 -9.025 7.802 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -11.740 -8.128 8.590 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -13.896 -5.828 10.161 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -12.220 -6.330 9.917 1.00 0.00 H new ATOM 1179 N GLU A 71 -17.232 -11.756 3.862 1.00 0.00 N ATOM 1180 CA GLU A 71 -17.907 -12.926 3.306 1.00 0.00 C ATOM 1181 C GLU A 71 -16.953 -14.115 3.209 1.00 0.00 C ATOM 1182 O GLU A 71 -16.330 -14.298 2.143 1.00 0.00 O ATOM 1183 CB GLU A 71 -18.483 -12.602 1.927 1.00 0.00 C ATOM 1184 CG GLU A 71 -19.612 -11.590 1.965 1.00 0.00 C ATOM 1185 CD GLU A 71 -20.767 -12.056 2.820 1.00 0.00 C ATOM 1186 OE1 GLU A 71 -21.587 -12.859 2.329 1.00 0.00 O ATOM 1187 OE2 GLU A 71 -20.849 -11.640 3.994 1.00 0.00 O ATOM 0 H GLU A 71 -17.057 -11.010 3.188 1.00 0.00 H new ATOM 0 HA GLU A 71 -18.722 -13.195 3.977 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -17.685 -12.221 1.289 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -18.846 -13.522 1.468 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -19.236 -10.643 2.351 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -19.965 -11.404 0.951 1.00 0.00 H new TER 1194 GLU A 71