USER MOD reduce.3.24.130724 H: found=0, std=0, add=396, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 393 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 NoAdj-H: A 40 HIS HE2 : A 40 HIS NE2 : A 53 ZNZN :(H bumps) USER MOD NoAdj-H: A 42 HIS HD1 : A 42 HIS ND1 : A 53 ZNZN :(H bumps) USER MOD Set 1.1: A 23 THR OG1 : rot 13:sc= 1.69 USER MOD Set 1.2: A 43 LYS NZ :NH3+ -166:sc= 0.977 (180deg=0.749) USER MOD Single : A 1 GLY N :NH3+ 137:sc= 2.43 (180deg=0.193!) USER MOD Single : A 2 GLN : amide:sc= -0.635 K(o=-0.64,f=-1.6) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 87:sc= 1.2 USER MOD Single : A 10 ASN : amide:sc= 1.41 K(o=1.4,f=-1) USER MOD Single : A 13 LYS NZ :NH3+ 175:sc= 0.708 (180deg=0.595) USER MOD Single : A 14 HIS : no HD1:sc= -0.194 K(o=-0.19,f=-1.8) USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 18 THR OG1 : rot 77:sc= 2.11 USER MOD Single : A 21 HIS : no HD1:sc= -0.943! C(o=-0.94!,f=-6.9!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc=-0.00547 X(o=-0.0055,f=0) USER MOD Single : A 35 TYR OH : rot 111:sc= 0.0859 USER MOD Single : A 36 ASN : amide:sc= 0.864 K(o=0.86,f=0) USER MOD Single : A 37 THR OG1 : rot -76:sc= 0.531 USER MOD Single : A 38 LYS NZ :NH3+ 159:sc= 2.4 (180deg=1.39) USER MOD Single : A 39 SER OG : rot 68:sc= 0.43 USER MOD Single : A 41 THR OG1 : rot -50:sc= 0.574 USER MOD Single : A 44 MET CE :methyl -151:sc= -0.292 (180deg=-1.11) USER MOD Single : A 46 LYS NZ :NH3+ 173:sc= 1.72 (180deg=1.38) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.255 -3.172 -9.580 1.00 10.00 N ATOM 2 CA GLY A 1 3.496 -3.369 -8.325 1.00 10.00 C ATOM 3 C GLY A 1 2.063 -2.844 -8.445 1.00 10.00 C ATOM 4 O GLY A 1 1.821 -1.841 -9.113 1.00 10.00 O ATOM 0 H1 GLY A 1 5.211 -2.828 -9.357 1.00 10.00 H new ATOM 0 H2 GLY A 1 4.322 -4.076 -10.091 1.00 10.00 H new ATOM 0 H3 GLY A 1 3.766 -2.473 -10.175 1.00 10.00 H new ATOM 0 HA2 GLY A 1 3.476 -4.430 -8.074 1.00 10.00 H new ATOM 0 HA3 GLY A 1 4.004 -2.858 -7.508 1.00 10.00 H new ATOM 10 N GLN A 2 1.088 -3.489 -7.798 1.00 10.00 N ATOM 11 CA GLN A 2 -0.318 -3.113 -7.886 1.00 10.00 C ATOM 12 C GLN A 2 -1.112 -3.503 -6.652 1.00 10.00 C ATOM 13 O GLN A 2 -0.662 -4.262 -5.793 1.00 10.00 O ATOM 14 CB GLN A 2 -0.965 -3.752 -9.146 1.00 10.00 C ATOM 15 CG GLN A 2 -1.081 -5.285 -9.127 1.00 10.00 C ATOM 16 CD GLN A 2 0.296 -5.947 -9.106 1.00 10.00 C ATOM 17 OE1 GLN A 2 0.790 -6.368 -8.070 1.00 10.00 O ATOM 18 NE2 GLN A 2 0.962 -5.983 -10.237 1.00 10.00 N ATOM 0 H GLN A 2 1.258 -4.293 -7.194 1.00 10.00 H new ATOM 0 HA GLN A 2 -0.347 -2.026 -7.959 1.00 10.00 H new ATOM 0 HB2 GLN A 2 -1.962 -3.331 -9.273 1.00 10.00 H new ATOM 0 HB3 GLN A 2 -0.382 -3.460 -10.020 1.00 10.00 H new ATOM 0 HG2 GLN A 2 -1.650 -5.598 -8.252 1.00 10.00 H new ATOM 0 HG3 GLN A 2 -1.635 -5.621 -10.004 1.00 10.00 H new ATOM 0 HE21 GLN A 2 0.535 -5.627 -11.092 1.00 10.00 H new ATOM 0 HE22 GLN A 2 1.907 -6.367 -10.260 1.00 10.00 H new ATOM 27 N ASP A 3 -2.317 -2.957 -6.634 1.00 10.00 N ATOM 28 CA ASP A 3 -3.453 -3.080 -5.727 1.00 10.00 C ATOM 29 C ASP A 3 -4.656 -2.750 -6.633 1.00 10.00 C ATOM 30 O ASP A 3 -4.475 -2.319 -7.777 1.00 10.00 O ATOM 31 CB ASP A 3 -3.358 -2.096 -4.547 1.00 10.00 C ATOM 32 CG ASP A 3 -4.721 -1.973 -3.855 1.00 10.00 C ATOM 33 OD1 ASP A 3 -5.271 -2.990 -3.390 1.00 10.00 O ATOM 34 OD2 ASP A 3 -5.341 -0.892 -3.929 1.00 10.00 O ATOM 0 H ASP A 3 -2.560 -2.308 -7.382 1.00 10.00 H new ATOM 0 HA ASP A 3 -3.516 -4.064 -5.262 1.00 10.00 H new ATOM 0 HB2 ASP A 3 -2.609 -2.441 -3.834 1.00 10.00 H new ATOM 0 HB3 ASP A 3 -3.032 -1.119 -4.903 1.00 10.00 H new ATOM 39 N ARG A 4 -5.889 -2.952 -6.171 1.00 10.00 N ATOM 40 CA ARG A 4 -7.092 -2.608 -6.933 1.00 10.00 C ATOM 41 C ARG A 4 -7.200 -1.115 -7.240 1.00 10.00 C ATOM 42 O ARG A 4 -7.841 -0.766 -8.225 1.00 10.00 O ATOM 43 CB ARG A 4 -8.358 -3.204 -6.283 1.00 10.00 C ATOM 44 CG ARG A 4 -8.564 -2.992 -4.777 1.00 10.00 C ATOM 45 CD ARG A 4 -8.649 -1.530 -4.343 1.00 10.00 C ATOM 46 NE ARG A 4 -9.207 -1.360 -2.988 1.00 10.00 N ATOM 47 CZ ARG A 4 -8.528 -1.490 -1.836 1.00 10.00 C ATOM 48 NH1 ARG A 4 -7.250 -1.843 -1.838 1.00 10.00 N ATOM 49 NH2 ARG A 4 -9.168 -1.271 -0.692 1.00 10.00 N ATOM 0 H ARG A 4 -6.084 -3.359 -5.256 1.00 10.00 H new ATOM 0 HA ARG A 4 -6.999 -3.079 -7.912 1.00 10.00 H new ATOM 0 HB2 ARG A 4 -9.224 -2.791 -6.800 1.00 10.00 H new ATOM 0 HB3 ARG A 4 -8.356 -4.278 -6.472 1.00 10.00 H new ATOM 0 HG2 ARG A 4 -9.480 -3.500 -4.474 1.00 10.00 H new ATOM 0 HG3 ARG A 4 -7.743 -3.469 -4.241 1.00 10.00 H new ATOM 0 HD2 ARG A 4 -7.653 -1.089 -4.377 1.00 10.00 H new ATOM 0 HD3 ARG A 4 -9.266 -0.981 -5.055 1.00 10.00 H new ATOM 0 HE ARG A 4 -10.197 -1.123 -2.920 1.00 10.00 H new ATOM 0 HH11 ARG A 4 -6.771 -2.019 -2.721 1.00 10.00 H new ATOM 0 HH12 ARG A 4 -6.746 -1.938 -0.956 1.00 10.00 H new ATOM 0 HH21 ARG A 4 -10.154 -1.010 -0.701 1.00 10.00 H new ATOM 0 HH22 ARG A 4 -8.673 -1.364 0.195 1.00 10.00 H new ATOM 63 N PHE A 5 -6.610 -0.219 -6.429 1.00 10.00 N ATOM 64 CA PHE A 5 -6.649 1.226 -6.708 1.00 10.00 C ATOM 65 C PHE A 5 -5.361 1.941 -6.317 1.00 10.00 C ATOM 66 O PHE A 5 -5.306 3.169 -6.315 1.00 10.00 O ATOM 67 CB PHE A 5 -7.918 1.916 -6.181 1.00 10.00 C ATOM 68 CG PHE A 5 -8.228 1.924 -4.681 1.00 10.00 C ATOM 69 CD1 PHE A 5 -7.247 1.711 -3.692 1.00 10.00 C ATOM 70 CD2 PHE A 5 -9.548 2.201 -4.278 1.00 10.00 C ATOM 71 CE1 PHE A 5 -7.578 1.767 -2.327 1.00 10.00 C ATOM 72 CE2 PHE A 5 -9.884 2.234 -2.912 1.00 10.00 C ATOM 73 CZ PHE A 5 -8.900 2.028 -1.933 1.00 10.00 C ATOM 0 H PHE A 5 -6.103 -0.469 -5.580 1.00 10.00 H new ATOM 0 HA PHE A 5 -6.713 1.314 -7.793 1.00 10.00 H new ATOM 0 HB2 PHE A 5 -7.880 2.955 -6.508 1.00 10.00 H new ATOM 0 HB3 PHE A 5 -8.768 1.455 -6.684 1.00 10.00 H new ATOM 0 HD1 PHE A 5 -6.229 1.502 -3.986 1.00 10.00 H new ATOM 0 HD2 PHE A 5 -10.308 2.389 -5.022 1.00 10.00 H new ATOM 0 HE1 PHE A 5 -6.814 1.609 -1.580 1.00 10.00 H new ATOM 0 HE2 PHE A 5 -10.906 2.419 -2.615 1.00 10.00 H new ATOM 0 HZ PHE A 5 -9.158 2.070 -0.885 1.00 10.00 H new ATOM 83 N VAL A 6 -4.316 1.182 -5.969 1.00 10.00 N ATOM 84 CA VAL A 6 -3.008 1.682 -5.607 1.00 10.00 C ATOM 85 C VAL A 6 -2.029 0.888 -6.464 1.00 10.00 C ATOM 86 O VAL A 6 -2.333 -0.197 -6.960 1.00 10.00 O ATOM 87 CB VAL A 6 -2.808 1.608 -4.075 1.00 10.00 C ATOM 88 CG1 VAL A 6 -1.362 1.345 -3.624 1.00 10.00 C ATOM 89 CG2 VAL A 6 -3.263 2.942 -3.468 1.00 10.00 C ATOM 0 H VAL A 6 -4.372 0.164 -5.934 1.00 10.00 H new ATOM 0 HA VAL A 6 -2.854 2.741 -5.813 1.00 10.00 H new ATOM 0 HB VAL A 6 -3.395 0.757 -3.731 1.00 10.00 H new ATOM 0 HG11 VAL A 6 -1.321 1.310 -2.535 1.00 10.00 H new ATOM 0 HG12 VAL A 6 -1.022 0.393 -4.031 1.00 10.00 H new ATOM 0 HG13 VAL A 6 -0.717 2.146 -3.986 1.00 10.00 H new ATOM 0 HG21 VAL A 6 -3.131 2.913 -2.386 1.00 10.00 H new ATOM 0 HG22 VAL A 6 -2.667 3.754 -3.885 1.00 10.00 H new ATOM 0 HG23 VAL A 6 -4.315 3.108 -3.701 1.00 10.00 H new ATOM 99 N TYR A 7 -0.869 1.469 -6.697 1.00 10.00 N ATOM 100 CA TYR A 7 0.170 0.987 -7.588 1.00 10.00 C ATOM 101 C TYR A 7 1.469 1.588 -7.109 1.00 10.00 C ATOM 102 O TYR A 7 1.490 2.272 -6.088 1.00 10.00 O ATOM 103 CB TYR A 7 -0.171 1.557 -8.966 1.00 10.00 C ATOM 104 CG TYR A 7 -1.507 1.103 -9.503 1.00 10.00 C ATOM 105 CD1 TYR A 7 -1.698 -0.198 -10.002 1.00 10.00 C ATOM 106 CD2 TYR A 7 -2.625 1.924 -9.298 1.00 10.00 C ATOM 107 CE1 TYR A 7 -2.979 -0.636 -10.389 1.00 10.00 C ATOM 108 CE2 TYR A 7 -3.918 1.448 -9.559 1.00 10.00 C ATOM 109 CZ TYR A 7 -4.103 0.183 -10.153 1.00 10.00 C ATOM 110 OH TYR A 7 -5.350 -0.244 -10.493 1.00 10.00 O ATOM 0 H TYR A 7 -0.610 2.344 -6.242 1.00 10.00 H new ATOM 0 HA TYR A 7 0.247 -0.100 -7.618 1.00 10.00 H new ATOM 0 HB2 TYR A 7 -0.164 2.646 -8.910 1.00 10.00 H new ATOM 0 HB3 TYR A 7 0.609 1.269 -9.671 1.00 10.00 H new ATOM 0 HD1 TYR A 7 -0.855 -0.867 -10.089 1.00 10.00 H new ATOM 0 HD2 TYR A 7 -2.489 2.932 -8.936 1.00 10.00 H new ATOM 0 HE1 TYR A 7 -3.101 -1.597 -10.866 1.00 10.00 H new ATOM 0 HE2 TYR A 7 -4.776 2.053 -9.304 1.00 10.00 H new ATOM 0 HH TYR A 7 -6.007 0.445 -10.259 1.00 10.00 H new ATOM 120 N THR A 8 2.553 1.418 -7.839 1.00 10.00 N ATOM 121 CA THR A 8 3.831 2.047 -7.549 1.00 10.00 C ATOM 122 C THR A 8 4.340 2.745 -8.814 1.00 10.00 C ATOM 123 O THR A 8 3.795 2.530 -9.892 1.00 10.00 O ATOM 124 CB THR A 8 4.840 0.951 -7.110 1.00 10.00 C ATOM 125 OG1 THR A 8 4.589 -0.332 -7.657 1.00 10.00 O ATOM 126 CG2 THR A 8 4.845 0.766 -5.594 1.00 10.00 C ATOM 0 H THR A 8 2.573 0.826 -8.669 1.00 10.00 H new ATOM 0 HA THR A 8 3.721 2.781 -6.751 1.00 10.00 H new ATOM 0 HB THR A 8 5.794 1.322 -7.485 1.00 10.00 H new ATOM 0 HG1 THR A 8 5.022 -0.405 -8.533 1.00 10.00 H new ATOM 0 HG21 THR A 8 5.563 -0.009 -5.324 1.00 10.00 H new ATOM 0 HG22 THR A 8 5.125 1.704 -5.114 1.00 10.00 H new ATOM 0 HG23 THR A 8 3.850 0.471 -5.260 1.00 10.00 H new ATOM 134 N CYS A 9 5.378 3.556 -8.659 1.00 10.00 N ATOM 135 CA CYS A 9 6.163 4.097 -9.763 1.00 10.00 C ATOM 136 C CYS A 9 7.448 3.342 -9.493 1.00 10.00 C ATOM 137 O CYS A 9 8.105 3.624 -8.494 1.00 10.00 O ATOM 138 CB CYS A 9 6.449 5.591 -9.691 1.00 10.00 C ATOM 139 SG CYS A 9 7.654 5.984 -10.989 1.00 10.00 S ATOM 0 H CYS A 9 5.706 3.863 -7.743 1.00 10.00 H new ATOM 0 HA CYS A 9 5.673 3.987 -10.730 1.00 10.00 H new ATOM 0 HB2 CYS A 9 5.532 6.163 -9.834 1.00 10.00 H new ATOM 0 HB3 CYS A 9 6.842 5.858 -8.710 1.00 10.00 H new ATOM 144 N ASN A 10 7.849 2.397 -10.328 1.00 10.00 N ATOM 145 CA ASN A 10 9.074 1.647 -10.126 1.00 10.00 C ATOM 146 C ASN A 10 10.300 2.537 -10.319 1.00 10.00 C ATOM 147 O ASN A 10 11.428 2.072 -10.155 1.00 10.00 O ATOM 148 CB ASN A 10 9.104 0.370 -10.968 1.00 10.00 C ATOM 149 CG ASN A 10 10.157 -0.609 -10.444 1.00 10.00 C ATOM 150 OD1 ASN A 10 10.231 -0.871 -9.251 1.00 10.00 O ATOM 151 ND2 ASN A 10 10.989 -1.176 -11.295 1.00 10.00 N ATOM 0 H ASN A 10 7.332 2.129 -11.166 1.00 10.00 H new ATOM 0 HA ASN A 10 9.102 1.310 -9.090 1.00 10.00 H new ATOM 0 HB2 ASN A 10 8.122 -0.103 -10.952 1.00 10.00 H new ATOM 0 HB3 ASN A 10 9.320 0.620 -12.007 1.00 10.00 H new ATOM 0 HD21 ASN A 10 11.694 -1.832 -10.959 1.00 10.00 H new ATOM 0 HD22 ASN A 10 10.928 -0.958 -12.290 1.00 10.00 H new ATOM 158 N GLU A 11 10.119 3.824 -10.622 1.00 10.00 N ATOM 159 CA GLU A 11 11.190 4.785 -10.650 1.00 10.00 C ATOM 160 C GLU A 11 11.257 5.589 -9.361 1.00 10.00 C ATOM 161 O GLU A 11 12.364 5.976 -8.973 1.00 10.00 O ATOM 162 CB GLU A 11 11.189 5.679 -11.874 1.00 10.00 C ATOM 163 CG GLU A 11 12.320 5.241 -12.821 1.00 10.00 C ATOM 164 CD GLU A 11 13.709 5.434 -12.200 1.00 10.00 C ATOM 165 OE1 GLU A 11 14.149 4.548 -11.426 1.00 10.00 O ATOM 166 OE2 GLU A 11 14.260 6.534 -12.428 1.00 10.00 O ATOM 0 H GLU A 11 9.208 4.219 -10.856 1.00 10.00 H new ATOM 0 HA GLU A 11 12.104 4.197 -10.728 1.00 10.00 H new ATOM 0 HB2 GLU A 11 10.227 5.617 -12.384 1.00 10.00 H new ATOM 0 HB3 GLU A 11 11.327 6.719 -11.579 1.00 10.00 H new ATOM 0 HG2 GLU A 11 12.185 4.192 -13.083 1.00 10.00 H new ATOM 0 HG3 GLU A 11 12.256 5.812 -13.747 1.00 10.00 H new ATOM 173 N CYS A 12 10.144 5.749 -8.644 1.00 10.00 N ATOM 174 CA CYS A 12 10.150 6.402 -7.340 1.00 10.00 C ATOM 175 C CYS A 12 10.227 5.342 -6.239 1.00 10.00 C ATOM 176 O CYS A 12 10.582 5.652 -5.110 1.00 10.00 O ATOM 177 CB CYS A 12 8.887 7.261 -7.194 1.00 10.00 C ATOM 178 SG CYS A 12 8.646 8.431 -8.571 1.00 10.00 S ATOM 0 H CYS A 12 9.224 5.432 -8.949 1.00 10.00 H new ATOM 0 HA CYS A 12 11.020 7.052 -7.251 1.00 10.00 H new ATOM 0 HB2 CYS A 12 8.018 6.607 -7.126 1.00 10.00 H new ATOM 0 HB3 CYS A 12 8.941 7.818 -6.259 1.00 10.00 H new ATOM 183 N LYS A 13 9.833 4.102 -6.546 1.00 10.00 N ATOM 184 CA LYS A 13 9.642 2.961 -5.638 1.00 10.00 C ATOM 185 C LYS A 13 8.818 3.413 -4.451 1.00 10.00 C ATOM 186 O LYS A 13 9.081 3.082 -3.301 1.00 10.00 O ATOM 187 CB LYS A 13 10.952 2.196 -5.331 1.00 10.00 C ATOM 188 CG LYS A 13 11.376 1.305 -6.517 1.00 10.00 C ATOM 189 CD LYS A 13 12.628 1.709 -7.316 1.00 10.00 C ATOM 190 CE LYS A 13 12.665 3.198 -7.685 1.00 10.00 C ATOM 191 NZ LYS A 13 13.619 3.495 -8.776 1.00 10.00 N ATOM 0 H LYS A 13 9.622 3.848 -7.511 1.00 10.00 H new ATOM 0 HA LYS A 13 9.061 2.180 -6.129 1.00 10.00 H new ATOM 0 HB2 LYS A 13 11.746 2.908 -5.107 1.00 10.00 H new ATOM 0 HB3 LYS A 13 10.815 1.580 -4.442 1.00 10.00 H new ATOM 0 HG2 LYS A 13 11.535 0.296 -6.136 1.00 10.00 H new ATOM 0 HG3 LYS A 13 10.538 1.255 -7.213 1.00 10.00 H new ATOM 0 HD2 LYS A 13 13.516 1.465 -6.733 1.00 10.00 H new ATOM 0 HD3 LYS A 13 12.674 1.115 -8.229 1.00 10.00 H new ATOM 0 HE2 LYS A 13 11.667 3.518 -7.984 1.00 10.00 H new ATOM 0 HE3 LYS A 13 12.936 3.779 -6.804 1.00 10.00 H new ATOM 0 HZ1 LYS A 13 13.542 4.498 -9.041 1.00 10.00 H new ATOM 0 HZ2 LYS A 13 14.588 3.296 -8.454 1.00 10.00 H new ATOM 0 HZ3 LYS A 13 13.399 2.901 -9.601 1.00 10.00 H new ATOM 205 N HIS A 14 7.762 4.139 -4.799 1.00 10.00 N ATOM 206 CA HIS A 14 6.773 4.725 -3.925 1.00 10.00 C ATOM 207 C HIS A 14 5.414 4.488 -4.579 1.00 10.00 C ATOM 208 O HIS A 14 5.324 4.204 -5.783 1.00 10.00 O ATOM 209 CB HIS A 14 7.072 6.211 -3.706 1.00 10.00 C ATOM 210 CG HIS A 14 6.024 6.878 -2.866 1.00 10.00 C ATOM 211 ND1 HIS A 14 5.586 6.435 -1.610 1.00 10.00 N ATOM 212 CD2 HIS A 14 5.170 7.837 -3.321 1.00 10.00 C ATOM 213 CE1 HIS A 14 4.504 7.173 -1.323 1.00 10.00 C ATOM 214 NE2 HIS A 14 4.235 8.014 -2.332 1.00 10.00 N ATOM 0 H HIS A 14 7.567 4.345 -5.779 1.00 10.00 H new ATOM 0 HA HIS A 14 6.784 4.270 -2.935 1.00 10.00 H new ATOM 0 HB2 HIS A 14 8.044 6.318 -3.225 1.00 10.00 H new ATOM 0 HB3 HIS A 14 7.137 6.714 -4.671 1.00 10.00 H new ATOM 0 HD2 HIS A 14 5.219 8.353 -4.268 1.00 10.00 H new ATOM 0 HE1 HIS A 14 3.931 7.100 -0.410 1.00 10.00 H new ATOM 0 HE2 HIS A 14 3.461 8.678 -2.360 1.00 10.00 H new ATOM 222 N HIS A 15 4.366 4.571 -3.759 1.00 10.00 N ATOM 223 CA HIS A 15 2.984 4.326 -4.156 1.00 10.00 C ATOM 224 C HIS A 15 2.379 5.487 -4.948 1.00 10.00 C ATOM 225 O HIS A 15 2.664 6.653 -4.679 1.00 10.00 O ATOM 226 CB HIS A 15 2.106 4.030 -2.938 1.00 10.00 C ATOM 227 CG HIS A 15 2.355 2.684 -2.352 1.00 10.00 C ATOM 228 ND1 HIS A 15 2.999 2.404 -1.138 1.00 10.00 N ATOM 229 CD2 HIS A 15 1.964 1.511 -2.929 1.00 10.00 C ATOM 230 CE1 HIS A 15 2.968 1.067 -1.015 1.00 10.00 C ATOM 231 NE2 HIS A 15 2.350 0.513 -2.077 1.00 10.00 N ATOM 0 H HIS A 15 4.460 4.817 -2.774 1.00 10.00 H new ATOM 0 HA HIS A 15 3.010 3.455 -4.810 1.00 10.00 H new ATOM 0 HB2 HIS A 15 2.283 4.790 -2.177 1.00 10.00 H new ATOM 0 HB3 HIS A 15 1.058 4.106 -3.226 1.00 10.00 H new ATOM 0 HD2 HIS A 15 1.451 1.394 -3.872 1.00 10.00 H new ATOM 0 HE1 HIS A 15 3.380 0.514 -0.183 1.00 10.00 H new ATOM 0 HE2 HIS A 15 2.196 -0.485 -2.221 1.00 10.00 H new ATOM 239 N VAL A 16 1.494 5.145 -5.881 1.00 10.00 N ATOM 240 CA VAL A 16 0.795 6.042 -6.789 1.00 10.00 C ATOM 241 C VAL A 16 -0.631 5.476 -6.942 1.00 10.00 C ATOM 242 O VAL A 16 -0.841 4.286 -6.683 1.00 10.00 O ATOM 243 CB VAL A 16 1.584 6.129 -8.127 1.00 10.00 C ATOM 244 CG1 VAL A 16 3.083 6.391 -7.937 1.00 10.00 C ATOM 245 CG2 VAL A 16 1.429 4.869 -8.996 1.00 10.00 C ATOM 0 H VAL A 16 1.231 4.171 -6.030 1.00 10.00 H new ATOM 0 HA VAL A 16 0.726 7.065 -6.419 1.00 10.00 H new ATOM 0 HB VAL A 16 1.136 6.983 -8.635 1.00 10.00 H new ATOM 0 HG11 VAL A 16 3.570 6.439 -8.911 1.00 10.00 H new ATOM 0 HG12 VAL A 16 3.224 7.337 -7.413 1.00 10.00 H new ATOM 0 HG13 VAL A 16 3.522 5.583 -7.351 1.00 10.00 H new ATOM 0 HG21 VAL A 16 2.002 4.989 -9.916 1.00 10.00 H new ATOM 0 HG22 VAL A 16 1.798 4.002 -8.449 1.00 10.00 H new ATOM 0 HG23 VAL A 16 0.377 4.723 -9.240 1.00 10.00 H new ATOM 255 N GLU A 17 -1.608 6.272 -7.387 1.00 10.00 N ATOM 256 CA GLU A 17 -2.986 5.821 -7.615 1.00 10.00 C ATOM 257 C GLU A 17 -3.212 5.505 -9.094 1.00 10.00 C ATOM 258 O GLU A 17 -4.115 4.748 -9.451 1.00 10.00 O ATOM 259 CB GLU A 17 -4.009 6.848 -7.072 1.00 10.00 C ATOM 260 CG GLU A 17 -3.644 8.337 -7.190 1.00 10.00 C ATOM 261 CD GLU A 17 -3.227 8.709 -8.594 1.00 10.00 C ATOM 262 OE1 GLU A 17 -4.097 8.786 -9.478 1.00 10.00 O ATOM 263 OE2 GLU A 17 -1.996 8.739 -8.803 1.00 10.00 O ATOM 0 H GLU A 17 -1.464 7.259 -7.602 1.00 10.00 H new ATOM 0 HA GLU A 17 -3.143 4.898 -7.058 1.00 10.00 H new ATOM 0 HB2 GLU A 17 -4.954 6.690 -7.592 1.00 10.00 H new ATOM 0 HB3 GLU A 17 -4.184 6.626 -6.019 1.00 10.00 H new ATOM 0 HG2 GLU A 17 -4.499 8.944 -6.893 1.00 10.00 H new ATOM 0 HG3 GLU A 17 -2.834 8.567 -6.498 1.00 10.00 H new ATOM 270 N THR A 18 -2.375 6.051 -9.964 1.00 10.00 N ATOM 271 CA THR A 18 -2.407 5.865 -11.399 1.00 10.00 C ATOM 272 C THR A 18 -0.973 5.621 -11.860 1.00 10.00 C ATOM 273 O THR A 18 -0.063 6.310 -11.424 1.00 10.00 O ATOM 274 CB THR A 18 -3.049 7.132 -11.993 1.00 10.00 C ATOM 275 OG1 THR A 18 -4.380 7.283 -11.539 1.00 10.00 O ATOM 276 CG2 THR A 18 -3.027 7.104 -13.520 1.00 10.00 C ATOM 0 H THR A 18 -1.618 6.667 -9.668 1.00 10.00 H new ATOM 0 HA THR A 18 -2.996 5.009 -11.727 1.00 10.00 H new ATOM 0 HB THR A 18 -2.459 7.983 -11.654 1.00 10.00 H new ATOM 0 HG1 THR A 18 -4.376 7.622 -10.619 1.00 10.00 H new ATOM 0 HG21 THR A 18 -3.488 8.013 -13.907 1.00 10.00 H new ATOM 0 HG22 THR A 18 -1.996 7.043 -13.868 1.00 10.00 H new ATOM 0 HG23 THR A 18 -3.582 6.236 -13.876 1.00 10.00 H new ATOM 284 N ARG A 19 -0.742 4.651 -12.756 1.00 10.00 N ATOM 285 CA ARG A 19 0.595 4.358 -13.271 1.00 10.00 C ATOM 286 C ARG A 19 0.531 3.936 -14.727 1.00 10.00 C ATOM 287 O ARG A 19 -0.521 3.537 -15.236 1.00 10.00 O ATOM 288 CB ARG A 19 1.312 3.221 -12.468 1.00 10.00 C ATOM 289 CG ARG A 19 0.701 1.826 -12.749 1.00 10.00 C ATOM 290 CD ARG A 19 1.399 0.576 -12.170 1.00 10.00 C ATOM 291 NE ARG A 19 0.454 -0.559 -12.127 1.00 10.00 N ATOM 292 CZ ARG A 19 0.702 -1.846 -12.436 1.00 10.00 C ATOM 293 NH1 ARG A 19 1.925 -2.341 -12.480 1.00 10.00 N ATOM 294 NH2 ARG A 19 -0.302 -2.653 -12.748 1.00 10.00 N ATOM 0 H ARG A 19 -1.474 4.053 -13.140 1.00 10.00 H new ATOM 0 HA ARG A 19 1.167 5.280 -13.163 1.00 10.00 H new ATOM 0 HB2 ARG A 19 2.371 3.210 -12.726 1.00 10.00 H new ATOM 0 HB3 ARG A 19 1.246 3.436 -11.401 1.00 10.00 H new ATOM 0 HG2 ARG A 19 -0.323 1.834 -12.377 1.00 10.00 H new ATOM 0 HG3 ARG A 19 0.646 1.702 -13.831 1.00 10.00 H new ATOM 0 HD2 ARG A 19 2.263 0.317 -12.781 1.00 10.00 H new ATOM 0 HD3 ARG A 19 1.770 0.789 -11.167 1.00 10.00 H new ATOM 0 HE ARG A 19 -0.497 -0.342 -11.828 1.00 10.00 H new ATOM 0 HH11 ARG A 19 2.725 -1.742 -12.275 1.00 10.00 H new ATOM 0 HH12 ARG A 19 2.070 -3.322 -12.718 1.00 10.00 H new ATOM 0 HH21 ARG A 19 -1.258 -2.299 -12.753 1.00 10.00 H new ATOM 0 HH22 ARG A 19 -0.118 -3.628 -12.983 1.00 10.00 H new ATOM 308 N TRP A 20 1.707 3.872 -15.320 1.00 10.00 N ATOM 309 CA TRP A 20 2.019 3.298 -16.606 1.00 10.00 C ATOM 310 C TRP A 20 2.694 2.000 -16.160 1.00 10.00 C ATOM 311 O TRP A 20 3.440 2.017 -15.169 1.00 10.00 O ATOM 312 CB TRP A 20 2.914 4.253 -17.384 1.00 10.00 C ATOM 313 CG TRP A 20 2.235 5.552 -17.654 1.00 10.00 C ATOM 314 CD1 TRP A 20 2.143 6.583 -16.784 1.00 10.00 C ATOM 315 CD2 TRP A 20 1.413 5.949 -18.790 1.00 10.00 C ATOM 316 NE1 TRP A 20 1.313 7.547 -17.294 1.00 10.00 N ATOM 317 CE2 TRP A 20 0.812 7.213 -18.522 1.00 10.00 C ATOM 318 CE3 TRP A 20 1.099 5.353 -20.031 1.00 10.00 C ATOM 319 CZ2 TRP A 20 -0.081 7.835 -19.398 1.00 10.00 C ATOM 320 CZ3 TRP A 20 0.209 5.969 -20.940 1.00 10.00 C ATOM 321 CH2 TRP A 20 -0.388 7.205 -20.620 1.00 10.00 C ATOM 0 H TRP A 20 2.539 4.255 -14.871 1.00 10.00 H new ATOM 0 HA TRP A 20 1.191 3.118 -17.291 1.00 10.00 H new ATOM 0 HB2 TRP A 20 3.830 4.432 -16.822 1.00 10.00 H new ATOM 0 HB3 TRP A 20 3.204 3.792 -18.328 1.00 10.00 H new ATOM 0 HD1 TRP A 20 2.648 6.638 -15.831 1.00 10.00 H new ATOM 0 HE1 TRP A 20 1.093 8.418 -16.811 1.00 10.00 H new ATOM 0 HE3 TRP A 20 1.549 4.406 -20.291 1.00 10.00 H new ATOM 0 HZ2 TRP A 20 -0.529 8.784 -19.142 1.00 10.00 H new ATOM 0 HZ3 TRP A 20 -0.014 5.491 -21.882 1.00 10.00 H new ATOM 0 HH2 TRP A 20 -1.079 7.668 -21.309 1.00 10.00 H new ATOM 332 N HIS A 21 2.438 0.880 -16.818 1.00 10.00 N ATOM 333 CA HIS A 21 2.947 -0.407 -16.389 1.00 10.00 C ATOM 334 C HIS A 21 3.461 -1.138 -17.609 1.00 10.00 C ATOM 335 O HIS A 21 2.710 -1.383 -18.550 1.00 10.00 O ATOM 336 CB HIS A 21 1.819 -1.157 -15.680 1.00 10.00 C ATOM 337 CG HIS A 21 1.840 -2.675 -15.674 1.00 10.00 C ATOM 338 ND1 HIS A 21 0.708 -3.469 -15.496 1.00 10.00 N ATOM 339 CD2 HIS A 21 2.926 -3.482 -15.852 1.00 10.00 C ATOM 340 CE1 HIS A 21 1.145 -4.739 -15.559 1.00 10.00 C ATOM 341 NE2 HIS A 21 2.467 -4.768 -15.784 1.00 10.00 N ATOM 0 H HIS A 21 1.871 0.841 -17.665 1.00 10.00 H new ATOM 0 HA HIS A 21 3.773 -0.312 -15.684 1.00 10.00 H new ATOM 0 HB2 HIS A 21 1.802 -0.823 -14.643 1.00 10.00 H new ATOM 0 HB3 HIS A 21 0.878 -0.842 -16.132 1.00 10.00 H new ATOM 0 HD2 HIS A 21 3.946 -3.167 -16.014 1.00 10.00 H new ATOM 0 HE1 HIS A 21 0.520 -5.612 -15.445 1.00 10.00 H new ATOM 0 HE2 HIS A 21 3.035 -5.609 -15.887 1.00 10.00 H new ATOM 349 N CYS A 22 4.739 -1.490 -17.604 1.00 10.00 N ATOM 350 CA CYS A 22 5.445 -2.229 -18.621 1.00 10.00 C ATOM 351 C CYS A 22 4.986 -3.696 -18.642 1.00 10.00 C ATOM 352 O CYS A 22 5.167 -4.427 -17.673 1.00 10.00 O ATOM 353 CB CYS A 22 6.923 -2.132 -18.281 1.00 10.00 C ATOM 354 SG CYS A 22 7.705 -0.996 -19.431 1.00 10.00 S ATOM 0 H CYS A 22 5.349 -1.243 -16.825 1.00 10.00 H new ATOM 0 HA CYS A 22 5.246 -1.820 -19.612 1.00 10.00 H new ATOM 0 HB2 CYS A 22 7.053 -1.782 -17.257 1.00 10.00 H new ATOM 0 HB3 CYS A 22 7.390 -3.115 -18.344 1.00 10.00 H new ATOM 359 N THR A 23 4.440 -4.122 -19.787 1.00 10.00 N ATOM 360 CA THR A 23 3.990 -5.519 -19.974 1.00 10.00 C ATOM 361 C THR A 23 5.000 -6.355 -20.766 1.00 10.00 C ATOM 362 O THR A 23 4.686 -7.396 -21.323 1.00 10.00 O ATOM 363 CB THR A 23 2.540 -5.581 -20.476 1.00 10.00 C ATOM 364 OG1 THR A 23 2.281 -4.704 -21.553 1.00 10.00 O ATOM 365 CG2 THR A 23 1.648 -5.098 -19.341 1.00 10.00 C ATOM 0 H THR A 23 4.296 -3.525 -20.601 1.00 10.00 H new ATOM 0 HA THR A 23 3.964 -6.006 -18.999 1.00 10.00 H new ATOM 0 HB THR A 23 2.357 -6.605 -20.801 1.00 10.00 H new ATOM 0 HG1 THR A 23 3.129 -4.373 -21.917 1.00 10.00 H new ATOM 0 HG21 THR A 23 0.606 -5.127 -19.659 1.00 10.00 H new ATOM 0 HG22 THR A 23 1.781 -5.745 -18.474 1.00 10.00 H new ATOM 0 HG23 THR A 23 1.918 -4.076 -19.076 1.00 10.00 H new ATOM 373 N VAL A 24 6.213 -5.824 -20.814 1.00 10.00 N ATOM 374 CA VAL A 24 7.464 -6.254 -21.386 1.00 10.00 C ATOM 375 C VAL A 24 8.344 -6.730 -20.224 1.00 10.00 C ATOM 376 O VAL A 24 8.728 -7.895 -20.171 1.00 10.00 O ATOM 377 CB VAL A 24 7.998 -4.978 -22.070 1.00 10.00 C ATOM 378 CG1 VAL A 24 7.743 -3.655 -21.312 1.00 10.00 C ATOM 379 CG2 VAL A 24 9.462 -5.082 -22.510 1.00 10.00 C ATOM 0 H VAL A 24 6.352 -4.918 -20.368 1.00 10.00 H new ATOM 0 HA VAL A 24 7.412 -7.074 -22.102 1.00 10.00 H new ATOM 0 HB VAL A 24 7.381 -4.924 -22.967 1.00 10.00 H new ATOM 0 HG11 VAL A 24 8.159 -2.824 -21.881 1.00 10.00 H new ATOM 0 HG12 VAL A 24 6.670 -3.508 -21.187 1.00 10.00 H new ATOM 0 HG13 VAL A 24 8.220 -3.699 -20.333 1.00 10.00 H new ATOM 0 HG21 VAL A 24 9.767 -4.148 -22.982 1.00 10.00 H new ATOM 0 HG22 VAL A 24 10.091 -5.271 -21.640 1.00 10.00 H new ATOM 0 HG23 VAL A 24 9.571 -5.901 -23.221 1.00 10.00 H new ATOM 389 N CYS A 25 8.614 -5.807 -19.295 1.00 10.00 N ATOM 390 CA CYS A 25 9.346 -6.010 -18.064 1.00 10.00 C ATOM 391 C CYS A 25 8.444 -6.797 -17.085 1.00 10.00 C ATOM 392 O CYS A 25 7.245 -6.969 -17.298 1.00 10.00 O ATOM 393 CB CYS A 25 9.668 -4.619 -17.462 1.00 10.00 C ATOM 394 SG CYS A 25 10.361 -3.369 -18.616 1.00 10.00 S ATOM 0 H CYS A 25 8.303 -4.841 -19.400 1.00 10.00 H new ATOM 0 HA CYS A 25 10.268 -6.563 -18.242 1.00 10.00 H new ATOM 0 HB2 CYS A 25 8.753 -4.214 -17.029 1.00 10.00 H new ATOM 0 HB3 CYS A 25 10.374 -4.756 -16.643 1.00 10.00 H new ATOM 399 N GLU A 26 9.038 -7.206 -15.960 1.00 10.00 N ATOM 400 CA GLU A 26 8.338 -7.891 -14.877 1.00 10.00 C ATOM 401 C GLU A 26 7.581 -6.843 -14.055 1.00 10.00 C ATOM 402 O GLU A 26 8.107 -6.302 -13.091 1.00 10.00 O ATOM 403 CB GLU A 26 9.316 -8.713 -13.997 1.00 10.00 C ATOM 404 CG GLU A 26 9.296 -10.189 -14.393 1.00 10.00 C ATOM 405 CD GLU A 26 10.252 -11.038 -13.541 1.00 10.00 C ATOM 406 OE1 GLU A 26 11.474 -10.872 -13.739 1.00 10.00 O ATOM 407 OE2 GLU A 26 9.754 -11.840 -12.716 1.00 10.00 O ATOM 0 H GLU A 26 10.032 -7.067 -15.777 1.00 10.00 H new ATOM 0 HA GLU A 26 7.630 -8.608 -15.293 1.00 10.00 H new ATOM 0 HB2 GLU A 26 10.326 -8.318 -14.102 1.00 10.00 H new ATOM 0 HB3 GLU A 26 9.041 -8.610 -12.947 1.00 10.00 H new ATOM 0 HG2 GLU A 26 8.282 -10.576 -14.291 1.00 10.00 H new ATOM 0 HG3 GLU A 26 9.569 -10.284 -15.444 1.00 10.00 H new ATOM 414 N ASP A 27 6.337 -6.559 -14.463 1.00 10.00 N ATOM 415 CA ASP A 27 5.417 -5.657 -13.751 1.00 10.00 C ATOM 416 C ASP A 27 6.040 -4.312 -13.295 1.00 10.00 C ATOM 417 O ASP A 27 5.722 -3.769 -12.235 1.00 10.00 O ATOM 418 CB ASP A 27 4.725 -6.432 -12.624 1.00 10.00 C ATOM 419 CG ASP A 27 3.634 -5.601 -11.921 1.00 10.00 C ATOM 420 OD1 ASP A 27 2.752 -4.986 -12.583 1.00 10.00 O ATOM 421 OD2 ASP A 27 3.632 -5.567 -10.667 1.00 10.00 O ATOM 0 H ASP A 27 5.933 -6.956 -15.312 1.00 10.00 H new ATOM 0 HA ASP A 27 4.663 -5.328 -14.466 1.00 10.00 H new ATOM 0 HB2 ASP A 27 4.280 -7.340 -13.031 1.00 10.00 H new ATOM 0 HB3 ASP A 27 5.469 -6.743 -11.891 1.00 10.00 H new ATOM 426 N TYR A 28 6.915 -3.788 -14.145 1.00 10.00 N ATOM 427 CA TYR A 28 7.596 -2.512 -13.930 1.00 10.00 C ATOM 428 C TYR A 28 6.549 -1.412 -14.087 1.00 10.00 C ATOM 429 O TYR A 28 5.645 -1.513 -14.929 1.00 10.00 O ATOM 430 CB TYR A 28 8.777 -2.421 -14.916 1.00 10.00 C ATOM 431 CG TYR A 28 9.656 -1.188 -14.790 1.00 10.00 C ATOM 432 CD1 TYR A 28 9.203 0.054 -15.278 1.00 10.00 C ATOM 433 CD2 TYR A 28 10.959 -1.295 -14.263 1.00 10.00 C ATOM 434 CE1 TYR A 28 10.028 1.191 -15.205 1.00 10.00 C ATOM 435 CE2 TYR A 28 11.788 -0.159 -14.182 1.00 10.00 C ATOM 436 CZ TYR A 28 11.317 1.089 -14.648 1.00 10.00 C ATOM 437 OH TYR A 28 12.147 2.170 -14.671 1.00 10.00 O ATOM 0 H TYR A 28 7.177 -4.244 -15.019 1.00 10.00 H new ATOM 0 HA TYR A 28 8.027 -2.408 -12.934 1.00 10.00 H new ATOM 0 HB2 TYR A 28 9.403 -3.304 -14.785 1.00 10.00 H new ATOM 0 HB3 TYR A 28 8.381 -2.458 -15.931 1.00 10.00 H new ATOM 0 HD1 TYR A 28 8.217 0.133 -15.711 1.00 10.00 H new ATOM 0 HD2 TYR A 28 11.323 -2.252 -13.920 1.00 10.00 H new ATOM 0 HE1 TYR A 28 9.673 2.141 -15.576 1.00 10.00 H new ATOM 0 HE2 TYR A 28 12.781 -0.242 -13.765 1.00 10.00 H new ATOM 0 HH TYR A 28 12.999 1.937 -14.247 1.00 10.00 H new ATOM 447 N ASP A 29 6.672 -0.349 -13.310 1.00 10.00 N ATOM 448 CA ASP A 29 5.709 0.735 -13.278 1.00 10.00 C ATOM 449 C ASP A 29 6.374 2.073 -13.422 1.00 10.00 C ATOM 450 O ASP A 29 7.543 2.194 -13.090 1.00 10.00 O ATOM 451 CB ASP A 29 5.032 0.876 -11.907 1.00 10.00 C ATOM 452 CG ASP A 29 4.887 -0.353 -11.044 1.00 10.00 C ATOM 453 OD1 ASP A 29 3.949 -1.121 -11.301 1.00 10.00 O ATOM 454 OD2 ASP A 29 5.625 -0.518 -10.044 1.00 10.00 O ATOM 0 H ASP A 29 7.458 -0.214 -12.674 1.00 10.00 H new ATOM 0 HA ASP A 29 5.017 0.490 -14.083 1.00 10.00 H new ATOM 0 HB2 ASP A 29 5.591 1.617 -11.336 1.00 10.00 H new ATOM 0 HB3 ASP A 29 4.035 1.285 -12.070 1.00 10.00 H new ATOM 459 N LEU A 30 5.622 3.111 -13.789 1.00 10.00 N ATOM 460 CA LEU A 30 6.051 4.496 -13.762 1.00 10.00 C ATOM 461 C LEU A 30 4.858 5.398 -13.466 1.00 10.00 C ATOM 462 O LEU A 30 3.824 5.223 -14.122 1.00 10.00 O ATOM 463 CB LEU A 30 6.613 4.921 -15.119 1.00 10.00 C ATOM 464 CG LEU A 30 7.975 4.351 -15.519 1.00 10.00 C ATOM 465 CD1 LEU A 30 8.435 5.045 -16.811 1.00 10.00 C ATOM 466 CD2 LEU A 30 9.085 4.589 -14.482 1.00 10.00 C ATOM 0 H LEU A 30 4.665 2.999 -14.124 1.00 10.00 H new ATOM 0 HA LEU A 30 6.818 4.588 -12.993 1.00 10.00 H new ATOM 0 HB2 LEU A 30 5.891 4.642 -15.886 1.00 10.00 H new ATOM 0 HB3 LEU A 30 6.685 6.009 -15.130 1.00 10.00 H new ATOM 0 HG LEU A 30 7.831 3.276 -15.624 1.00 10.00 H new ATOM 0 HD11 LEU A 30 9.406 4.650 -17.111 1.00 10.00 H new ATOM 0 HD12 LEU A 30 7.708 4.860 -17.602 1.00 10.00 H new ATOM 0 HD13 LEU A 30 8.518 6.118 -16.638 1.00 10.00 H new ATOM 0 HD21 LEU A 30 10.018 4.155 -14.841 1.00 10.00 H new ATOM 0 HD22 LEU A 30 9.218 5.660 -14.331 1.00 10.00 H new ATOM 0 HD23 LEU A 30 8.807 4.121 -13.538 1.00 10.00 H new ATOM 478 N CYS A 31 5.010 6.383 -12.580 1.00 10.00 N ATOM 479 CA CYS A 31 4.031 7.431 -12.401 1.00 10.00 C ATOM 480 C CYS A 31 4.017 8.283 -13.675 1.00 10.00 C ATOM 481 O CYS A 31 4.904 8.189 -14.537 1.00 10.00 O ATOM 482 CB CYS A 31 4.350 8.298 -11.183 1.00 10.00 C ATOM 483 SG CYS A 31 5.944 9.166 -11.286 1.00 10.00 S ATOM 0 H CYS A 31 5.822 6.468 -11.969 1.00 10.00 H new ATOM 0 HA CYS A 31 3.052 6.987 -12.224 1.00 10.00 H new ATOM 0 HB2 CYS A 31 3.556 9.034 -11.056 1.00 10.00 H new ATOM 0 HB3 CYS A 31 4.348 7.669 -10.292 1.00 10.00 H new ATOM 488 N ILE A 32 3.008 9.146 -13.769 1.00 10.00 N ATOM 489 CA ILE A 32 2.807 10.013 -14.904 1.00 10.00 C ATOM 490 C ILE A 32 4.063 10.839 -15.214 1.00 10.00 C ATOM 491 O ILE A 32 4.426 10.978 -16.380 1.00 10.00 O ATOM 492 CB ILE A 32 1.597 10.932 -14.615 1.00 10.00 C ATOM 493 CG1 ILE A 32 0.290 10.214 -14.201 1.00 10.00 C ATOM 494 CG2 ILE A 32 1.327 11.817 -15.849 1.00 10.00 C ATOM 495 CD1 ILE A 32 -0.205 9.144 -15.167 1.00 10.00 C ATOM 0 H ILE A 32 2.301 9.256 -13.042 1.00 10.00 H new ATOM 0 HA ILE A 32 2.607 9.406 -15.787 1.00 10.00 H new ATOM 0 HB ILE A 32 1.885 11.519 -13.743 1.00 10.00 H new ATOM 0 HG12 ILE A 32 0.442 9.755 -13.224 1.00 10.00 H new ATOM 0 HG13 ILE A 32 -0.493 10.963 -14.083 1.00 10.00 H new ATOM 0 HG21 ILE A 32 0.475 12.467 -15.651 1.00 10.00 H new ATOM 0 HG22 ILE A 32 2.206 12.426 -16.060 1.00 10.00 H new ATOM 0 HG23 ILE A 32 1.109 11.185 -16.710 1.00 10.00 H new ATOM 0 HD11 ILE A 32 -1.125 8.704 -14.783 1.00 10.00 H new ATOM 0 HD12 ILE A 32 -0.397 9.594 -16.141 1.00 10.00 H new ATOM 0 HD13 ILE A 32 0.553 8.367 -15.269 1.00 10.00 H new ATOM 507 N ASN A 33 4.707 11.397 -14.190 1.00 10.00 N ATOM 508 CA ASN A 33 5.868 12.278 -14.297 1.00 10.00 C ATOM 509 C ASN A 33 7.111 11.514 -14.748 1.00 10.00 C ATOM 510 O ASN A 33 7.848 11.999 -15.613 1.00 10.00 O ATOM 511 CB ASN A 33 6.097 12.956 -12.944 1.00 10.00 C ATOM 512 CG ASN A 33 7.479 13.595 -12.864 1.00 10.00 C ATOM 513 OD1 ASN A 33 7.695 14.676 -13.376 1.00 10.00 O ATOM 514 ND2 ASN A 33 8.432 12.934 -12.231 1.00 10.00 N ATOM 0 H ASN A 33 4.422 11.241 -13.223 1.00 10.00 H new ATOM 0 HA ASN A 33 5.674 13.035 -15.056 1.00 10.00 H new ATOM 0 HB2 ASN A 33 5.334 13.717 -12.784 1.00 10.00 H new ATOM 0 HB3 ASN A 33 5.988 12.222 -12.145 1.00 10.00 H new ATOM 0 HD21 ASN A 33 9.370 13.330 -12.165 1.00 10.00 H new ATOM 0 HD22 ASN A 33 8.230 12.028 -11.808 1.00 10.00 H new ATOM 521 N CYS A 34 7.349 10.327 -14.197 1.00 10.00 N ATOM 522 CA CYS A 34 8.467 9.511 -14.626 1.00 10.00 C ATOM 523 C CYS A 34 8.237 8.997 -16.047 1.00 10.00 C ATOM 524 O CYS A 34 9.149 9.079 -16.853 1.00 10.00 O ATOM 525 CB CYS A 34 8.706 8.387 -13.617 1.00 10.00 C ATOM 526 SG CYS A 34 9.533 9.045 -12.158 1.00 10.00 S ATOM 0 H CYS A 34 6.782 9.915 -13.456 1.00 10.00 H new ATOM 0 HA CYS A 34 9.375 10.113 -14.657 1.00 10.00 H new ATOM 0 HB2 CYS A 34 7.757 7.931 -13.334 1.00 10.00 H new ATOM 0 HB3 CYS A 34 9.314 7.603 -14.069 1.00 10.00 H new ATOM 531 N TYR A 35 7.040 8.516 -16.373 1.00 10.00 N ATOM 532 CA TYR A 35 6.695 8.084 -17.722 1.00 10.00 C ATOM 533 C TYR A 35 7.044 9.210 -18.728 1.00 10.00 C ATOM 534 O TYR A 35 7.722 8.966 -19.723 1.00 10.00 O ATOM 535 CB TYR A 35 5.214 7.685 -17.770 1.00 10.00 C ATOM 536 CG TYR A 35 4.669 7.398 -19.161 1.00 10.00 C ATOM 537 CD1 TYR A 35 5.065 6.251 -19.864 1.00 10.00 C ATOM 538 CD2 TYR A 35 3.720 8.266 -19.733 1.00 10.00 C ATOM 539 CE1 TYR A 35 4.496 5.955 -21.120 1.00 10.00 C ATOM 540 CE2 TYR A 35 3.169 7.994 -20.990 1.00 10.00 C ATOM 541 CZ TYR A 35 3.529 6.817 -21.681 1.00 10.00 C ATOM 542 OH TYR A 35 2.969 6.527 -22.894 1.00 10.00 O ATOM 0 H TYR A 35 6.278 8.415 -15.703 1.00 10.00 H new ATOM 0 HA TYR A 35 7.275 7.205 -18.004 1.00 10.00 H new ATOM 0 HB2 TYR A 35 5.072 6.799 -17.151 1.00 10.00 H new ATOM 0 HB3 TYR A 35 4.623 8.485 -17.323 1.00 10.00 H new ATOM 0 HD1 TYR A 35 5.809 5.592 -19.442 1.00 10.00 H new ATOM 0 HD2 TYR A 35 3.414 9.152 -19.196 1.00 10.00 H new ATOM 0 HE1 TYR A 35 4.801 5.067 -21.654 1.00 10.00 H new ATOM 0 HE2 TYR A 35 2.467 8.686 -21.432 1.00 10.00 H new ATOM 0 HH TYR A 35 2.026 6.292 -22.771 1.00 10.00 H new ATOM 552 N ASN A 36 6.654 10.453 -18.391 1.00 10.00 N ATOM 553 CA ASN A 36 6.888 11.683 -19.148 1.00 10.00 C ATOM 554 C ASN A 36 8.360 12.060 -19.352 1.00 10.00 C ATOM 555 O ASN A 36 8.627 12.955 -20.158 1.00 10.00 O ATOM 556 CB ASN A 36 6.190 12.855 -18.445 1.00 10.00 C ATOM 557 CG ASN A 36 4.875 13.215 -19.126 1.00 10.00 C ATOM 558 OD1 ASN A 36 4.814 13.981 -20.077 1.00 10.00 O ATOM 559 ND2 ASN A 36 3.794 12.656 -18.639 1.00 10.00 N ATOM 0 H ASN A 36 6.136 10.629 -17.530 1.00 10.00 H new ATOM 0 HA ASN A 36 6.481 11.484 -20.140 1.00 10.00 H new ATOM 0 HB2 ASN A 36 6.002 12.595 -17.403 1.00 10.00 H new ATOM 0 HB3 ASN A 36 6.849 13.723 -18.443 1.00 10.00 H new ATOM 0 HD21 ASN A 36 2.884 12.858 -19.054 1.00 10.00 H new ATOM 0 HD22 ASN A 36 3.863 12.019 -17.845 1.00 10.00 H new ATOM 566 N THR A 37 9.313 11.453 -18.638 1.00 10.00 N ATOM 567 CA THR A 37 10.708 11.851 -18.736 1.00 10.00 C ATOM 568 C THR A 37 11.636 10.673 -19.001 1.00 10.00 C ATOM 569 O THR A 37 12.505 10.737 -19.874 1.00 10.00 O ATOM 570 CB THR A 37 11.102 12.602 -17.453 1.00 10.00 C ATOM 571 OG1 THR A 37 10.742 11.867 -16.292 1.00 10.00 O ATOM 572 CG2 THR A 37 10.484 13.994 -17.357 1.00 10.00 C ATOM 0 H THR A 37 9.138 10.686 -17.989 1.00 10.00 H new ATOM 0 HA THR A 37 10.819 12.512 -19.596 1.00 10.00 H new ATOM 0 HB THR A 37 12.185 12.713 -17.507 1.00 10.00 H new ATOM 0 HG1 THR A 37 9.777 11.946 -16.141 1.00 10.00 H new ATOM 0 HG21 THR A 37 10.801 14.470 -16.429 1.00 10.00 H new ATOM 0 HG22 THR A 37 10.811 14.597 -18.204 1.00 10.00 H new ATOM 0 HG23 THR A 37 9.397 13.911 -17.369 1.00 10.00 H new ATOM 580 N LYS A 38 11.466 9.576 -18.270 1.00 10.00 N ATOM 581 CA LYS A 38 12.296 8.379 -18.354 1.00 10.00 C ATOM 582 C LYS A 38 12.190 7.682 -19.725 1.00 10.00 C ATOM 583 O LYS A 38 12.995 6.800 -19.992 1.00 10.00 O ATOM 584 CB LYS A 38 11.988 7.434 -17.174 1.00 10.00 C ATOM 585 CG LYS A 38 11.933 8.103 -15.773 1.00 10.00 C ATOM 586 CD LYS A 38 13.299 8.514 -15.201 1.00 10.00 C ATOM 587 CE LYS A 38 13.147 9.414 -13.953 1.00 10.00 C ATOM 588 NZ LYS A 38 12.611 8.700 -12.773 1.00 10.00 N ATOM 0 H LYS A 38 10.721 9.493 -17.579 1.00 10.00 H new ATOM 0 HA LYS A 38 13.339 8.683 -18.271 1.00 10.00 H new ATOM 0 HB2 LYS A 38 11.031 6.948 -17.362 1.00 10.00 H new ATOM 0 HB3 LYS A 38 12.745 6.650 -17.153 1.00 10.00 H new ATOM 0 HG2 LYS A 38 11.299 8.988 -15.833 1.00 10.00 H new ATOM 0 HG3 LYS A 38 11.455 7.415 -15.076 1.00 10.00 H new ATOM 0 HD2 LYS A 38 13.868 7.622 -14.939 1.00 10.00 H new ATOM 0 HD3 LYS A 38 13.869 9.043 -15.964 1.00 10.00 H new ATOM 0 HE2 LYS A 38 14.119 9.839 -13.701 1.00 10.00 H new ATOM 0 HE3 LYS A 38 12.487 10.248 -14.194 1.00 10.00 H new ATOM 0 HZ1 LYS A 38 12.858 9.223 -11.909 1.00 10.00 H new ATOM 0 HZ2 LYS A 38 11.576 8.629 -12.851 1.00 10.00 H new ATOM 0 HZ3 LYS A 38 13.021 7.745 -12.729 1.00 10.00 H new ATOM 602 N SER A 39 11.254 8.100 -20.579 1.00 10.00 N ATOM 603 CA SER A 39 11.102 7.636 -21.958 1.00 10.00 C ATOM 604 C SER A 39 11.078 6.108 -22.116 1.00 10.00 C ATOM 605 O SER A 39 11.728 5.549 -23.004 1.00 10.00 O ATOM 606 CB SER A 39 12.194 8.299 -22.817 1.00 10.00 C ATOM 607 OG SER A 39 12.163 9.713 -22.633 1.00 10.00 O ATOM 0 H SER A 39 10.556 8.797 -20.319 1.00 10.00 H new ATOM 0 HA SER A 39 10.115 7.941 -22.307 1.00 10.00 H new ATOM 0 HB2 SER A 39 13.174 7.909 -22.541 1.00 10.00 H new ATOM 0 HB3 SER A 39 12.039 8.057 -23.868 1.00 10.00 H new ATOM 0 HG SER A 39 12.442 9.930 -21.719 1.00 10.00 H new ATOM 613 N HIS A 40 10.303 5.443 -21.254 1.00 10.00 N ATOM 614 CA HIS A 40 10.117 4.007 -21.296 1.00 10.00 C ATOM 615 C HIS A 40 9.368 3.726 -22.591 1.00 10.00 C ATOM 616 O HIS A 40 8.221 4.115 -22.790 1.00 10.00 O ATOM 617 CB HIS A 40 9.372 3.534 -20.055 1.00 10.00 C ATOM 618 CG HIS A 40 10.112 2.435 -19.343 1.00 10.00 C ATOM 619 ND1 HIS A 40 11.057 2.561 -18.346 1.00 10.00 N ATOM 620 CD2 HIS A 40 9.988 1.094 -19.609 1.00 10.00 C ATOM 621 CE1 HIS A 40 11.474 1.324 -18.011 1.00 10.00 C ATOM 622 NE2 HIS A 40 10.814 0.389 -18.712 1.00 10.00 N ATOM 0 H HIS A 40 9.786 5.900 -20.503 1.00 10.00 H new ATOM 0 HA HIS A 40 11.059 3.459 -21.288 1.00 10.00 H new ATOM 0 HB2 HIS A 40 9.228 4.374 -19.376 1.00 10.00 H new ATOM 0 HB3 HIS A 40 8.381 3.180 -20.339 1.00 10.00 H new ATOM 0 HD1 HIS A 40 11.383 3.436 -17.935 1.00 10.00 H new ATOM 0 HD2 HIS A 40 9.365 0.655 -20.374 1.00 10.00 H new ATOM 0 HE1 HIS A 40 12.237 1.113 -17.277 1.00 10.00 H new ATOM 630 N THR A 41 10.090 3.140 -23.530 1.00 10.00 N ATOM 631 CA THR A 41 9.692 2.962 -24.911 1.00 10.00 C ATOM 632 C THR A 41 8.975 1.620 -25.198 1.00 10.00 C ATOM 633 O THR A 41 8.782 1.268 -26.360 1.00 10.00 O ATOM 634 CB THR A 41 10.987 3.104 -25.752 1.00 10.00 C ATOM 635 OG1 THR A 41 12.129 3.500 -25.002 1.00 10.00 O ATOM 636 CG2 THR A 41 10.802 4.111 -26.888 1.00 10.00 C ATOM 0 H THR A 41 11.016 2.757 -23.338 1.00 10.00 H new ATOM 0 HA THR A 41 8.947 3.714 -25.171 1.00 10.00 H new ATOM 0 HB THR A 41 11.169 2.102 -26.140 1.00 10.00 H new ATOM 0 HG1 THR A 41 11.910 4.290 -24.465 1.00 10.00 H new ATOM 0 HG21 THR A 41 11.727 4.189 -27.460 1.00 10.00 H new ATOM 0 HG22 THR A 41 9.998 3.777 -27.543 1.00 10.00 H new ATOM 0 HG23 THR A 41 10.550 5.086 -26.472 1.00 10.00 H new ATOM 644 N HIS A 42 8.683 0.816 -24.167 1.00 10.00 N ATOM 645 CA HIS A 42 8.136 -0.517 -24.350 1.00 10.00 C ATOM 646 C HIS A 42 6.612 -0.556 -24.416 1.00 10.00 C ATOM 647 O HIS A 42 5.939 0.432 -24.127 1.00 10.00 O ATOM 648 CB HIS A 42 8.620 -1.369 -23.200 1.00 10.00 C ATOM 649 CG HIS A 42 10.084 -1.299 -22.876 1.00 10.00 C ATOM 650 ND1 HIS A 42 10.593 -1.285 -21.573 1.00 10.00 N ATOM 651 CD2 HIS A 42 11.122 -1.209 -23.762 1.00 10.00 C ATOM 652 CE1 HIS A 42 11.926 -1.232 -21.705 1.00 10.00 C ATOM 653 NE2 HIS A 42 12.270 -1.184 -23.005 1.00 10.00 N ATOM 0 H HIS A 42 8.822 1.078 -23.191 1.00 10.00 H new ATOM 0 HA HIS A 42 8.481 -0.892 -25.314 1.00 10.00 H new ATOM 0 HB2 HIS A 42 8.061 -1.086 -22.308 1.00 10.00 H new ATOM 0 HB3 HIS A 42 8.369 -2.407 -23.417 1.00 10.00 H new ATOM 0 HD2 HIS A 42 11.054 -1.166 -24.839 1.00 10.00 H new ATOM 0 HE1 HIS A 42 12.626 -1.228 -20.883 1.00 10.00 H new ATOM 0 HE2 HIS A 42 13.222 -1.137 -23.368 1.00 10.00 H new ATOM 661 N LYS A 43 6.040 -1.720 -24.744 1.00 10.00 N ATOM 662 CA LYS A 43 4.597 -1.885 -24.795 1.00 10.00 C ATOM 663 C LYS A 43 4.044 -1.997 -23.373 1.00 10.00 C ATOM 664 O LYS A 43 3.941 -3.097 -22.820 1.00 10.00 O ATOM 665 CB LYS A 43 4.168 -3.077 -25.678 1.00 10.00 C ATOM 666 CG LYS A 43 2.679 -2.945 -26.054 1.00 10.00 C ATOM 667 CD LYS A 43 1.890 -4.249 -25.977 1.00 10.00 C ATOM 668 CE LYS A 43 1.693 -4.712 -24.530 1.00 10.00 C ATOM 669 NZ LYS A 43 0.763 -3.864 -23.755 1.00 10.00 N ATOM 0 H LYS A 43 6.565 -2.562 -24.978 1.00 10.00 H new ATOM 0 HA LYS A 43 4.170 -1.001 -25.269 1.00 10.00 H new ATOM 0 HB2 LYS A 43 4.778 -3.110 -26.581 1.00 10.00 H new ATOM 0 HB3 LYS A 43 4.336 -4.013 -25.146 1.00 10.00 H new ATOM 0 HG2 LYS A 43 2.214 -2.214 -25.393 1.00 10.00 H new ATOM 0 HG3 LYS A 43 2.607 -2.550 -27.067 1.00 10.00 H new ATOM 0 HD2 LYS A 43 0.918 -4.114 -26.451 1.00 10.00 H new ATOM 0 HD3 LYS A 43 2.413 -5.024 -26.538 1.00 10.00 H new ATOM 0 HE2 LYS A 43 1.319 -5.736 -24.533 1.00 10.00 H new ATOM 0 HE3 LYS A 43 2.660 -4.727 -24.028 1.00 10.00 H new ATOM 0 HZ1 LYS A 43 0.856 -4.082 -22.742 1.00 10.00 H new ATOM 0 HZ2 LYS A 43 0.991 -2.862 -23.915 1.00 10.00 H new ATOM 0 HZ3 LYS A 43 -0.213 -4.050 -24.061 1.00 10.00 H new ATOM 683 N MET A 44 3.675 -0.863 -22.802 1.00 10.00 N ATOM 684 CA MET A 44 3.057 -0.790 -21.495 1.00 10.00 C ATOM 685 C MET A 44 1.540 -0.977 -21.627 1.00 10.00 C ATOM 686 O MET A 44 0.996 -1.289 -22.699 1.00 10.00 O ATOM 687 CB MET A 44 3.412 0.609 -20.937 1.00 10.00 C ATOM 688 CG MET A 44 4.813 0.642 -20.348 1.00 10.00 C ATOM 689 SD MET A 44 5.513 2.295 -20.042 1.00 10.00 S ATOM 690 CE MET A 44 5.624 2.184 -18.220 1.00 10.00 C ATOM 0 H MET A 44 3.800 0.048 -23.244 1.00 10.00 H new ATOM 0 HA MET A 44 3.412 -1.572 -20.824 1.00 10.00 H new ATOM 0 HB2 MET A 44 3.335 1.349 -21.734 1.00 10.00 H new ATOM 0 HB3 MET A 44 2.689 0.889 -20.171 1.00 10.00 H new ATOM 0 HG2 MET A 44 4.802 0.094 -19.406 1.00 10.00 H new ATOM 0 HG3 MET A 44 5.481 0.105 -21.021 1.00 10.00 H new ATOM 0 HE1 MET A 44 5.527 3.180 -17.788 1.00 10.00 H new ATOM 0 HE2 MET A 44 4.823 1.547 -17.845 1.00 10.00 H new ATOM 0 HE3 MET A 44 6.588 1.759 -17.939 1.00 10.00 H new ATOM 700 N VAL A 45 0.869 -0.762 -20.506 1.00 10.00 N ATOM 701 CA VAL A 45 -0.528 -0.642 -20.208 1.00 10.00 C ATOM 702 C VAL A 45 -0.564 0.589 -19.268 1.00 10.00 C ATOM 703 O VAL A 45 0.479 1.084 -18.833 1.00 10.00 O ATOM 704 CB VAL A 45 -1.094 -1.925 -19.575 1.00 10.00 C ATOM 705 CG1 VAL A 45 -1.218 -3.064 -20.589 1.00 10.00 C ATOM 706 CG2 VAL A 45 -0.333 -2.406 -18.361 1.00 10.00 C ATOM 0 H VAL A 45 1.402 -0.651 -19.643 1.00 10.00 H new ATOM 0 HA VAL A 45 -1.160 -0.509 -21.086 1.00 10.00 H new ATOM 0 HB VAL A 45 -2.088 -1.637 -19.234 1.00 10.00 H new ATOM 0 HG11 VAL A 45 -1.622 -3.948 -20.096 1.00 10.00 H new ATOM 0 HG12 VAL A 45 -1.886 -2.762 -21.396 1.00 10.00 H new ATOM 0 HG13 VAL A 45 -0.235 -3.295 -20.999 1.00 10.00 H new ATOM 0 HG21 VAL A 45 -0.797 -3.314 -17.977 1.00 10.00 H new ATOM 0 HG22 VAL A 45 0.700 -2.616 -18.639 1.00 10.00 H new ATOM 0 HG23 VAL A 45 -0.352 -1.635 -17.591 1.00 10.00 H new ATOM 716 N LYS A 46 -1.747 1.084 -18.903 1.00 10.00 N ATOM 717 CA LYS A 46 -1.897 2.218 -17.999 1.00 10.00 C ATOM 718 C LYS A 46 -3.156 1.916 -17.223 1.00 10.00 C ATOM 719 O LYS A 46 -4.169 1.544 -17.819 1.00 10.00 O ATOM 720 CB LYS A 46 -1.970 3.525 -18.816 1.00 10.00 C ATOM 721 CG LYS A 46 -1.845 4.841 -18.041 1.00 10.00 C ATOM 722 CD LYS A 46 -3.097 5.314 -17.282 1.00 10.00 C ATOM 723 CE LYS A 46 -2.832 6.757 -16.796 1.00 10.00 C ATOM 724 NZ LYS A 46 -2.900 7.737 -17.896 1.00 10.00 N ATOM 0 H LYS A 46 -2.635 0.703 -19.231 1.00 10.00 H new ATOM 0 HA LYS A 46 -1.060 2.359 -17.316 1.00 10.00 H new ATOM 0 HB2 LYS A 46 -1.181 3.499 -19.567 1.00 10.00 H new ATOM 0 HB3 LYS A 46 -2.919 3.537 -19.351 1.00 10.00 H new ATOM 0 HG2 LYS A 46 -1.030 4.738 -17.324 1.00 10.00 H new ATOM 0 HG3 LYS A 46 -1.556 5.624 -18.742 1.00 10.00 H new ATOM 0 HD2 LYS A 46 -3.972 5.283 -17.931 1.00 10.00 H new ATOM 0 HD3 LYS A 46 -3.303 4.657 -16.437 1.00 10.00 H new ATOM 0 HE2 LYS A 46 -3.562 7.021 -16.031 1.00 10.00 H new ATOM 0 HE3 LYS A 46 -1.849 6.806 -16.328 1.00 10.00 H new ATOM 0 HZ1 LYS A 46 -2.834 8.700 -17.508 1.00 10.00 H new ATOM 0 HZ2 LYS A 46 -2.112 7.575 -18.555 1.00 10.00 H new ATOM 0 HZ3 LYS A 46 -3.802 7.629 -18.402 1.00 10.00 H new ATOM 738 N TRP A 47 -3.077 2.084 -15.916 1.00 10.00 N ATOM 739 CA TRP A 47 -4.180 1.828 -15.008 1.00 10.00 C ATOM 740 C TRP A 47 -4.283 3.130 -14.250 1.00 10.00 C ATOM 741 O TRP A 47 -3.296 3.530 -13.631 1.00 10.00 O ATOM 742 CB TRP A 47 -3.851 0.627 -14.112 1.00 10.00 C ATOM 743 CG TRP A 47 -3.358 -0.565 -14.870 1.00 10.00 C ATOM 744 CD1 TRP A 47 -2.068 -0.969 -14.908 1.00 10.00 C ATOM 745 CD2 TRP A 47 -4.055 -1.403 -15.841 1.00 10.00 C ATOM 746 NE1 TRP A 47 -1.937 -2.066 -15.716 1.00 10.00 N ATOM 747 CE2 TRP A 47 -3.119 -2.346 -16.374 1.00 10.00 C ATOM 748 CE3 TRP A 47 -5.352 -1.388 -16.413 1.00 10.00 C ATOM 749 CZ2 TRP A 47 -3.479 -3.266 -17.375 1.00 10.00 C ATOM 750 CZ3 TRP A 47 -5.699 -2.286 -17.446 1.00 10.00 C ATOM 751 CH2 TRP A 47 -4.776 -3.224 -17.923 1.00 10.00 C ATOM 0 H TRP A 47 -2.231 2.408 -15.448 1.00 10.00 H new ATOM 0 HA TRP A 47 -5.122 1.562 -15.487 1.00 10.00 H new ATOM 0 HB2 TRP A 47 -3.096 0.923 -13.384 1.00 10.00 H new ATOM 0 HB3 TRP A 47 -4.742 0.348 -13.550 1.00 10.00 H new ATOM 0 HD1 TRP A 47 -1.257 -0.494 -14.377 1.00 10.00 H new ATOM 0 HE1 TRP A 47 -1.078 -2.607 -15.819 1.00 10.00 H new ATOM 0 HE3 TRP A 47 -6.085 -0.680 -16.054 1.00 10.00 H new ATOM 0 HZ2 TRP A 47 -2.766 -4.000 -17.721 1.00 10.00 H new ATOM 0 HZ3 TRP A 47 -6.690 -2.249 -17.874 1.00 10.00 H new ATOM 0 HH2 TRP A 47 -5.057 -3.912 -18.707 1.00 10.00 H new ATOM 762 N GLY A 48 -5.406 3.822 -14.371 1.00 10.00 N ATOM 763 CA GLY A 48 -5.556 5.130 -13.779 1.00 10.00 C ATOM 764 C GLY A 48 -6.894 5.261 -13.105 1.00 10.00 C ATOM 765 O GLY A 48 -7.907 4.772 -13.607 1.00 10.00 O ATOM 0 H GLY A 48 -6.227 3.492 -14.878 1.00 10.00 H new ATOM 0 HA2 GLY A 48 -4.760 5.299 -13.054 1.00 10.00 H new ATOM 0 HA3 GLY A 48 -5.455 5.896 -14.548 1.00 10.00 H new ATOM 769 N LEU A 49 -6.856 5.910 -11.939 1.00 10.00 N ATOM 770 CA LEU A 49 -8.005 6.097 -11.072 1.00 10.00 C ATOM 771 C LEU A 49 -8.058 7.503 -10.450 1.00 10.00 C ATOM 772 O LEU A 49 -8.959 7.746 -9.649 1.00 10.00 O ATOM 773 CB LEU A 49 -8.043 4.978 -10.005 1.00 10.00 C ATOM 774 CG LEU A 49 -8.403 3.607 -10.625 1.00 10.00 C ATOM 775 CD1 LEU A 49 -8.044 2.492 -9.668 1.00 10.00 C ATOM 776 CD2 LEU A 49 -9.887 3.488 -11.006 1.00 10.00 C ATOM 0 H LEU A 49 -6.002 6.327 -11.569 1.00 10.00 H new ATOM 0 HA LEU A 49 -8.905 6.021 -11.682 1.00 10.00 H new ATOM 0 HB2 LEU A 49 -7.073 4.911 -9.513 1.00 10.00 H new ATOM 0 HB3 LEU A 49 -8.773 5.233 -9.237 1.00 10.00 H new ATOM 0 HG LEU A 49 -7.823 3.523 -11.544 1.00 10.00 H new ATOM 0 HD11 LEU A 49 -8.302 1.532 -10.115 1.00 10.00 H new ATOM 0 HD12 LEU A 49 -6.974 2.520 -9.461 1.00 10.00 H new ATOM 0 HD13 LEU A 49 -8.597 2.619 -8.737 1.00 10.00 H new ATOM 0 HD21 LEU A 49 -10.075 2.504 -11.435 1.00 10.00 H new ATOM 0 HD22 LEU A 49 -10.503 3.619 -10.116 1.00 10.00 H new ATOM 0 HD23 LEU A 49 -10.138 4.256 -11.737 1.00 10.00 H new ATOM 788 N GLY A 50 -7.173 8.446 -10.800 1.00 10.00 N ATOM 789 CA GLY A 50 -7.272 9.806 -10.275 1.00 10.00 C ATOM 790 C GLY A 50 -6.479 10.859 -11.047 1.00 10.00 C ATOM 791 O GLY A 50 -7.058 11.884 -11.399 1.00 10.00 O ATOM 0 H GLY A 50 -6.391 8.291 -11.437 1.00 10.00 H new ATOM 0 HA2 GLY A 50 -8.322 10.099 -10.265 1.00 10.00 H new ATOM 0 HA3 GLY A 50 -6.932 9.805 -9.239 1.00 10.00 H new ATOM 795 N LEU A 51 -5.190 10.628 -11.312 1.00 10.00 N ATOM 796 CA LEU A 51 -4.292 11.552 -11.996 1.00 10.00 C ATOM 797 C LEU A 51 -3.766 10.848 -13.246 1.00 10.00 C ATOM 798 O LEU A 51 -2.722 10.196 -13.206 1.00 10.00 O ATOM 799 CB LEU A 51 -3.138 11.979 -11.056 1.00 10.00 C ATOM 800 CG LEU A 51 -3.592 12.789 -9.816 1.00 10.00 C ATOM 801 CD1 LEU A 51 -2.402 13.042 -8.882 1.00 10.00 C ATOM 802 CD2 LEU A 51 -4.247 14.134 -10.162 1.00 10.00 C ATOM 0 H LEU A 51 -4.730 9.758 -11.044 1.00 10.00 H new ATOM 0 HA LEU A 51 -4.819 12.462 -12.283 1.00 10.00 H new ATOM 0 HB2 LEU A 51 -2.610 11.087 -10.719 1.00 10.00 H new ATOM 0 HB3 LEU A 51 -2.424 12.576 -11.624 1.00 10.00 H new ATOM 0 HG LEU A 51 -4.349 12.178 -9.325 1.00 10.00 H new ATOM 0 HD11 LEU A 51 -2.735 13.612 -8.015 1.00 10.00 H new ATOM 0 HD12 LEU A 51 -1.989 12.089 -8.553 1.00 10.00 H new ATOM 0 HD13 LEU A 51 -1.635 13.605 -9.414 1.00 10.00 H new ATOM 0 HD21 LEU A 51 -4.538 14.644 -9.244 1.00 10.00 H new ATOM 0 HD22 LEU A 51 -3.538 14.753 -10.711 1.00 10.00 H new ATOM 0 HD23 LEU A 51 -5.130 13.961 -10.777 1.00 10.00 H new ATOM 814 N ASP A 52 -4.566 10.897 -14.312 1.00 10.00 N ATOM 815 CA ASP A 52 -4.293 10.232 -15.594 1.00 10.00 C ATOM 816 C ASP A 52 -3.188 10.942 -16.370 1.00 10.00 C ATOM 817 O ASP A 52 -2.488 10.264 -17.158 1.00 10.00 O ATOM 818 CB ASP A 52 -5.587 10.082 -16.405 1.00 10.00 C ATOM 819 CG ASP A 52 -5.583 8.769 -17.193 1.00 10.00 C ATOM 820 OD1 ASP A 52 -5.651 7.699 -16.544 1.00 10.00 O ATOM 821 OD2 ASP A 52 -5.341 8.764 -18.418 1.00 10.00 O ATOM 822 OXT ASP A 52 -3.016 12.164 -16.152 1.00 10.00 O ATOM 0 H ASP A 52 -5.446 11.413 -14.311 1.00 10.00 H new ATOM 0 HA ASP A 52 -3.920 9.228 -15.392 1.00 10.00 H new ATOM 0 HB2 ASP A 52 -6.447 10.107 -15.735 1.00 10.00 H new ATOM 0 HB3 ASP A 52 -5.692 10.923 -17.090 1.00 10.00 H new TER 827 ASP A 52 HETATM 828 ZN ZN A 53 9.973 -1.313 -19.585 1.00 10.00 ZN HETATM 829 ZN ZN A 54 7.961 8.226 -10.734 1.00 10.00 ZN