USER MOD reduce.3.24.130724 H: found=0, std=0, add=449, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 449 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 25 LYS NZ :NH3+ -136:sc= -1.88! (180deg=-3.02!) USER MOD Set 1.2: A 52 ASN : amide:sc= -1.4! K(o=-3.3!,f=-2.2) USER MOD Set 2.1: A 21 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 22 ASN : amide:sc= -4.18! C(o=-4.2!,f=-7.9!) USER MOD Set 3.1: A 5 ASN : amide:sc= -1.79! C(o=-0.88!,f=-13!) USER MOD Set 3.2: A 13 THR OG1 : rot 120:sc= 0.912 USER MOD Set 4.1: A 4 HIS : no HE2:sc= -5.2! C(o=-11!,f=-16!) USER MOD Set 4.2: A 6 GLN : amide:sc= -2.61! C(o=-11!,f=-11!) USER MOD Set 4.3: A 61 ASN : amide:sc= -2.83 K(o=-11,f=-12!) USER MOD Single : A 1 LEU N :NH3+ 141:sc= 0.0278 (180deg=0) USER MOD Single : A 7 GLN : amide:sc=-0.00695 K(o=-0.007,f=-1) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -0.169 K(o=-0.17,f=-2.5!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.00377 USER MOD Single : A 18 SER OG : rot 34:sc= 0.147 USER MOD Single : A 24 TYR OH : rot 165:sc= -0.0386 USER MOD Single : A 26 LYS NZ :NH3+ -107:sc= 0.787 (180deg=-3.2!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc=0.000456 X(o=0.00046,f=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= -4.72! USER MOD Single : A 60 ASN : amide:sc= -3.53! C(o=-3.5!,f=-21!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -6.220 -15.248 2.070 1.00 0.00 N ATOM 2 CA LEU A 1 -5.825 -14.242 1.099 1.00 0.00 C ATOM 3 C LEU A 1 -4.657 -13.428 1.661 1.00 0.00 C ATOM 4 O LEU A 1 -4.662 -13.057 2.833 1.00 0.00 O ATOM 5 CB LEU A 1 -7.028 -13.390 0.691 1.00 0.00 C ATOM 6 CG LEU A 1 -6.720 -12.161 -0.167 1.00 0.00 C ATOM 7 CD1 LEU A 1 -6.530 -12.550 -1.635 1.00 0.00 C ATOM 8 CD2 LEU A 1 -7.795 -11.087 0.007 1.00 0.00 C ATOM 0 H1 LEU A 1 -7.256 -15.334 2.078 1.00 0.00 H new ATOM 0 H2 LEU A 1 -5.798 -16.163 1.813 1.00 0.00 H new ATOM 0 H3 LEU A 1 -5.888 -14.967 3.015 1.00 0.00 H new ATOM 0 HA LEU A 1 -5.473 -14.715 0.182 1.00 0.00 H new ATOM 0 HB2 LEU A 1 -7.728 -14.023 0.146 1.00 0.00 H new ATOM 0 HB3 LEU A 1 -7.537 -13.058 1.596 1.00 0.00 H new ATOM 0 HG LEU A 1 -5.779 -11.732 0.177 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -6.312 -11.658 -2.223 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -5.701 -13.252 -1.721 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -7.441 -13.017 -2.009 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -7.552 -10.225 -0.614 1.00 0.00 H new ATOM 0 HD22 LEU A 1 -8.763 -11.489 -0.293 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -7.838 -10.781 1.052 1.00 0.00 H new ATOM 22 N GLU A 2 -3.685 -13.175 0.797 1.00 0.00 N ATOM 23 CA GLU A 2 -2.513 -12.412 1.192 1.00 0.00 C ATOM 24 C GLU A 2 -2.490 -11.063 0.471 1.00 0.00 C ATOM 25 O GLU A 2 -2.920 -10.961 -0.677 1.00 0.00 O ATOM 26 CB GLU A 2 -1.229 -13.200 0.922 1.00 0.00 C ATOM 27 CG GLU A 2 -1.263 -14.560 1.622 1.00 0.00 C ATOM 28 CD GLU A 2 0.058 -15.308 1.432 1.00 0.00 C ATOM 29 OE1 GLU A 2 1.037 -14.907 2.098 1.00 0.00 O ATOM 30 OE2 GLU A 2 0.059 -16.262 0.625 1.00 0.00 O ATOM 0 H GLU A 2 -3.685 -13.485 -0.175 1.00 0.00 H new ATOM 0 HA GLU A 2 -2.568 -12.228 2.265 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -1.104 -13.343 -0.151 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -0.368 -12.629 1.270 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -1.456 -14.421 2.686 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -2.084 -15.157 1.224 1.00 0.00 H new ATOM 37 N CYS A 3 -1.984 -10.061 1.175 1.00 0.00 N ATOM 38 CA CYS A 3 -1.900 -8.722 0.617 1.00 0.00 C ATOM 39 C CYS A 3 -0.537 -8.133 0.985 1.00 0.00 C ATOM 40 O CYS A 3 -0.079 -8.280 2.117 1.00 0.00 O ATOM 41 CB CYS A 3 -3.053 -7.836 1.094 1.00 0.00 C ATOM 42 SG CYS A 3 -4.708 -8.609 0.992 1.00 0.00 S ATOM 0 H CYS A 3 -1.628 -10.150 2.127 1.00 0.00 H new ATOM 0 HA CYS A 3 -1.992 -8.771 -0.468 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -2.866 -7.546 2.128 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -3.058 -6.921 0.502 1.00 0.00 H new ATOM 47 N HIS A 4 0.073 -7.478 0.008 1.00 0.00 N ATOM 48 CA HIS A 4 1.375 -6.867 0.216 1.00 0.00 C ATOM 49 C HIS A 4 1.278 -5.819 1.327 1.00 0.00 C ATOM 50 O HIS A 4 0.283 -5.103 1.425 1.00 0.00 O ATOM 51 CB HIS A 4 1.921 -6.293 -1.094 1.00 0.00 C ATOM 52 CG HIS A 4 2.627 -7.308 -1.961 1.00 0.00 C ATOM 53 ND1 HIS A 4 3.989 -7.541 -1.884 1.00 0.00 N ATOM 54 CD2 HIS A 4 2.147 -8.148 -2.922 1.00 0.00 C ATOM 55 CE1 HIS A 4 4.304 -8.479 -2.764 1.00 0.00 C ATOM 56 NE2 HIS A 4 3.160 -8.854 -3.407 1.00 0.00 N ATOM 0 H HIS A 4 -0.310 -7.357 -0.930 1.00 0.00 H new ATOM 0 HA HIS A 4 2.089 -7.624 0.539 1.00 0.00 H new ATOM 0 HB2 HIS A 4 1.097 -5.857 -1.659 1.00 0.00 H new ATOM 0 HB3 HIS A 4 2.613 -5.483 -0.864 1.00 0.00 H new ATOM 0 HD1 HIS A 4 4.640 -7.070 -1.256 1.00 0.00 H new ATOM 0 HD2 HIS A 4 1.116 -8.225 -3.235 1.00 0.00 H new ATOM 0 HE1 HIS A 4 5.292 -8.877 -2.942 1.00 0.00 H new ATOM 65 N ASN A 5 2.325 -5.763 2.136 1.00 0.00 N ATOM 66 CA ASN A 5 2.371 -4.815 3.236 1.00 0.00 C ATOM 67 C ASN A 5 3.641 -3.969 3.122 1.00 0.00 C ATOM 68 O ASN A 5 4.032 -3.299 4.076 1.00 0.00 O ATOM 69 CB ASN A 5 2.404 -5.537 4.584 1.00 0.00 C ATOM 70 CG ASN A 5 3.821 -6.003 4.922 1.00 0.00 C ATOM 71 OD1 ASN A 5 4.485 -6.671 4.146 1.00 0.00 O ATOM 72 ND2 ASN A 5 4.247 -5.616 6.121 1.00 0.00 N ATOM 0 H ASN A 5 3.149 -6.359 2.052 1.00 0.00 H new ATOM 0 HA ASN A 5 1.478 -4.192 3.182 1.00 0.00 H new ATOM 0 HB2 ASN A 5 2.040 -4.871 5.366 1.00 0.00 H new ATOM 0 HB3 ASN A 5 1.732 -6.395 4.558 1.00 0.00 H new ATOM 0 HD21 ASN A 5 5.180 -5.877 6.440 1.00 0.00 H new ATOM 0 HD22 ASN A 5 3.641 -5.058 6.722 1.00 0.00 H new ATOM 79 N GLN A 6 4.249 -4.027 1.946 1.00 0.00 N ATOM 80 CA GLN A 6 5.466 -3.274 1.695 1.00 0.00 C ATOM 81 C GLN A 6 5.146 -1.786 1.535 1.00 0.00 C ATOM 82 O GLN A 6 4.105 -1.427 0.988 1.00 0.00 O ATOM 83 CB GLN A 6 6.200 -3.813 0.466 1.00 0.00 C ATOM 84 CG GLN A 6 5.216 -4.150 -0.656 1.00 0.00 C ATOM 85 CD GLN A 6 5.858 -3.940 -2.030 1.00 0.00 C ATOM 86 OE1 GLN A 6 6.414 -2.896 -2.330 1.00 0.00 O ATOM 87 NE2 GLN A 6 5.749 -4.986 -2.843 1.00 0.00 N ATOM 0 H GLN A 6 3.921 -4.584 1.157 1.00 0.00 H new ATOM 0 HA GLN A 6 6.128 -3.393 2.553 1.00 0.00 H new ATOM 0 HB2 GLN A 6 6.919 -3.073 0.114 1.00 0.00 H new ATOM 0 HB3 GLN A 6 6.766 -4.704 0.738 1.00 0.00 H new ATOM 0 HG2 GLN A 6 4.888 -5.185 -0.558 1.00 0.00 H new ATOM 0 HG3 GLN A 6 4.328 -3.524 -0.566 1.00 0.00 H new ATOM 0 HE21 GLN A 6 5.270 -5.830 -2.527 1.00 0.00 H new ATOM 0 HE22 GLN A 6 6.144 -4.945 -3.782 1.00 0.00 H new ATOM 96 N GLN A 7 6.062 -0.961 2.021 1.00 0.00 N ATOM 97 CA GLN A 7 5.891 0.479 1.939 1.00 0.00 C ATOM 98 C GLN A 7 6.829 1.066 0.882 1.00 0.00 C ATOM 99 O GLN A 7 7.914 0.536 0.648 1.00 0.00 O ATOM 100 CB GLN A 7 6.119 1.138 3.301 1.00 0.00 C ATOM 101 CG GLN A 7 5.427 2.501 3.374 1.00 0.00 C ATOM 102 CD GLN A 7 5.882 3.280 4.609 1.00 0.00 C ATOM 103 OE1 GLN A 7 6.726 2.844 5.375 1.00 0.00 O ATOM 104 NE2 GLN A 7 5.277 4.455 4.760 1.00 0.00 N ATOM 0 H GLN A 7 6.925 -1.263 2.473 1.00 0.00 H new ATOM 0 HA GLN A 7 4.863 0.686 1.640 1.00 0.00 H new ATOM 0 HB2 GLN A 7 5.738 0.490 4.091 1.00 0.00 H new ATOM 0 HB3 GLN A 7 7.188 1.259 3.476 1.00 0.00 H new ATOM 0 HG2 GLN A 7 5.650 3.075 2.475 1.00 0.00 H new ATOM 0 HG3 GLN A 7 4.346 2.363 3.404 1.00 0.00 H new ATOM 0 HE21 GLN A 7 4.579 4.760 4.082 1.00 0.00 H new ATOM 0 HE22 GLN A 7 5.511 5.051 5.554 1.00 0.00 H new ATOM 113 N SER A 8 6.377 2.151 0.271 1.00 0.00 N ATOM 114 CA SER A 8 7.162 2.815 -0.755 1.00 0.00 C ATOM 115 C SER A 8 7.874 1.776 -1.623 1.00 0.00 C ATOM 116 O SER A 8 7.280 0.769 -2.006 1.00 0.00 O ATOM 117 CB SER A 8 8.179 3.775 -0.135 1.00 0.00 C ATOM 118 OG SER A 8 7.619 4.526 0.939 1.00 0.00 O ATOM 0 H SER A 8 5.476 2.587 0.467 1.00 0.00 H new ATOM 0 HA SER A 8 6.485 3.399 -1.379 1.00 0.00 H new ATOM 0 HB2 SER A 8 9.037 3.209 0.227 1.00 0.00 H new ATOM 0 HB3 SER A 8 8.547 4.457 -0.901 1.00 0.00 H new ATOM 0 HG SER A 8 8.300 5.126 1.309 1.00 0.00 H new ATOM 124 N SER A 9 9.138 2.055 -1.908 1.00 0.00 N ATOM 125 CA SER A 9 9.937 1.157 -2.724 1.00 0.00 C ATOM 126 C SER A 9 10.576 0.080 -1.844 1.00 0.00 C ATOM 127 O SER A 9 11.428 -0.677 -2.305 1.00 0.00 O ATOM 128 CB SER A 9 11.016 1.924 -3.492 1.00 0.00 C ATOM 129 OG SER A 9 10.458 2.772 -4.492 1.00 0.00 O ATOM 0 H SER A 9 9.628 2.890 -1.588 1.00 0.00 H new ATOM 0 HA SER A 9 9.280 0.680 -3.452 1.00 0.00 H new ATOM 0 HB2 SER A 9 11.601 2.523 -2.794 1.00 0.00 H new ATOM 0 HB3 SER A 9 11.702 1.216 -3.958 1.00 0.00 H new ATOM 0 HG SER A 9 11.178 3.245 -4.959 1.00 0.00 H new ATOM 135 N GLN A 10 10.139 0.047 -0.594 1.00 0.00 N ATOM 136 CA GLN A 10 10.657 -0.925 0.354 1.00 0.00 C ATOM 137 C GLN A 10 10.523 -2.341 -0.210 1.00 0.00 C ATOM 138 O GLN A 10 9.863 -2.547 -1.227 1.00 0.00 O ATOM 139 CB GLN A 10 9.950 -0.803 1.705 1.00 0.00 C ATOM 140 CG GLN A 10 9.974 0.641 2.209 1.00 0.00 C ATOM 141 CD GLN A 10 11.205 0.897 3.081 1.00 0.00 C ATOM 142 OE1 GLN A 10 11.932 -0.008 3.455 1.00 0.00 O ATOM 143 NE2 GLN A 10 11.398 2.178 3.383 1.00 0.00 N ATOM 0 H GLN A 10 9.432 0.677 -0.215 1.00 0.00 H new ATOM 0 HA GLN A 10 11.715 -0.719 0.515 1.00 0.00 H new ATOM 0 HB2 GLN A 10 8.918 -1.142 1.611 1.00 0.00 H new ATOM 0 HB3 GLN A 10 10.434 -1.454 2.433 1.00 0.00 H new ATOM 0 HG2 GLN A 10 9.976 1.326 1.361 1.00 0.00 H new ATOM 0 HG3 GLN A 10 9.069 0.845 2.782 1.00 0.00 H new ATOM 0 HE21 GLN A 10 10.751 2.887 3.037 1.00 0.00 H new ATOM 0 HE22 GLN A 10 12.193 2.452 3.960 1.00 0.00 H new ATOM 152 N PRO A 11 11.159 -3.279 0.476 1.00 0.00 N ATOM 153 CA PRO A 11 11.167 -4.699 0.120 1.00 0.00 C ATOM 154 C PRO A 11 9.735 -5.238 0.093 1.00 0.00 C ATOM 155 O PRO A 11 8.993 -5.083 1.062 1.00 0.00 O ATOM 156 CB PRO A 11 11.948 -5.354 1.262 1.00 0.00 C ATOM 157 CG PRO A 11 12.809 -4.244 1.789 1.00 0.00 C ATOM 158 CD PRO A 11 11.942 -3.022 1.687 1.00 0.00 C ATOM 0 HA PRO A 11 11.602 -4.891 -0.861 1.00 0.00 H new ATOM 0 HB2 PRO A 11 11.281 -5.743 2.031 1.00 0.00 H new ATOM 0 HB3 PRO A 11 12.548 -6.192 0.907 1.00 0.00 H new ATOM 0 HG2 PRO A 11 13.113 -4.431 2.819 1.00 0.00 H new ATOM 0 HG3 PRO A 11 13.721 -4.135 1.202 1.00 0.00 H new ATOM 0 HD2 PRO A 11 11.305 -2.904 2.563 1.00 0.00 H new ATOM 0 HD3 PRO A 11 12.535 -2.112 1.600 1.00 0.00 H new ATOM 166 N PRO A 12 9.390 -5.858 -1.026 1.00 0.00 N ATOM 167 CA PRO A 12 8.073 -6.449 -1.270 1.00 0.00 C ATOM 168 C PRO A 12 7.775 -7.511 -0.210 1.00 0.00 C ATOM 169 O PRO A 12 8.516 -8.484 -0.078 1.00 0.00 O ATOM 170 CB PRO A 12 8.221 -7.110 -2.642 1.00 0.00 C ATOM 171 CG PRO A 12 9.327 -6.334 -3.295 1.00 0.00 C ATOM 172 CD PRO A 12 10.282 -6.036 -2.174 1.00 0.00 C ATOM 0 HA PRO A 12 7.264 -5.720 -1.233 1.00 0.00 H new ATOM 0 HB2 PRO A 12 8.473 -8.167 -2.552 1.00 0.00 H new ATOM 0 HB3 PRO A 12 7.297 -7.050 -3.217 1.00 0.00 H new ATOM 0 HG2 PRO A 12 9.807 -6.913 -4.084 1.00 0.00 H new ATOM 0 HG3 PRO A 12 8.954 -5.418 -3.754 1.00 0.00 H new ATOM 0 HD2 PRO A 12 10.987 -6.852 -2.016 1.00 0.00 H new ATOM 0 HD3 PRO A 12 10.871 -5.140 -2.372 1.00 0.00 H new ATOM 180 N THR A 13 6.691 -7.290 0.518 1.00 0.00 N ATOM 181 CA THR A 13 6.288 -8.217 1.562 1.00 0.00 C ATOM 182 C THR A 13 4.801 -8.553 1.432 1.00 0.00 C ATOM 183 O THR A 13 4.103 -7.984 0.593 1.00 0.00 O ATOM 184 CB THR A 13 6.654 -7.597 2.912 1.00 0.00 C ATOM 185 OG1 THR A 13 6.370 -6.211 2.746 1.00 0.00 O ATOM 186 CG2 THR A 13 8.159 -7.639 3.186 1.00 0.00 C ATOM 0 H THR A 13 6.079 -6.482 0.406 1.00 0.00 H new ATOM 0 HA THR A 13 6.814 -9.168 1.471 1.00 0.00 H new ATOM 0 HB THR A 13 6.125 -8.121 3.708 1.00 0.00 H new ATOM 0 HG1 THR A 13 5.699 -5.933 3.404 1.00 0.00 H new ATOM 0 HG21 THR A 13 8.365 -7.187 4.156 1.00 0.00 H new ATOM 0 HG22 THR A 13 8.500 -8.674 3.189 1.00 0.00 H new ATOM 0 HG23 THR A 13 8.686 -7.086 2.409 1.00 0.00 H new ATOM 194 N THR A 14 4.359 -9.476 2.274 1.00 0.00 N ATOM 195 CA THR A 14 2.968 -9.895 2.263 1.00 0.00 C ATOM 196 C THR A 14 2.498 -10.219 3.682 1.00 0.00 C ATOM 197 O THR A 14 3.312 -10.506 4.559 1.00 0.00 O ATOM 198 CB THR A 14 2.836 -11.072 1.295 1.00 0.00 C ATOM 199 OG1 THR A 14 4.028 -11.826 1.500 1.00 0.00 O ATOM 200 CG2 THR A 14 2.918 -10.638 -0.170 1.00 0.00 C ATOM 0 H THR A 14 4.940 -9.945 2.968 1.00 0.00 H new ATOM 0 HA THR A 14 2.316 -9.094 1.913 1.00 0.00 H new ATOM 0 HB THR A 14 1.888 -11.581 1.471 1.00 0.00 H new ATOM 0 HG1 THR A 14 4.024 -12.610 0.912 1.00 0.00 H new ATOM 0 HG21 THR A 14 2.819 -11.512 -0.814 1.00 0.00 H new ATOM 0 HG22 THR A 14 2.114 -9.934 -0.386 1.00 0.00 H new ATOM 0 HG23 THR A 14 3.879 -10.159 -0.354 1.00 0.00 H new ATOM 208 N LYS A 15 1.187 -10.164 3.864 1.00 0.00 N ATOM 209 CA LYS A 15 0.599 -10.448 5.162 1.00 0.00 C ATOM 210 C LYS A 15 -0.771 -11.100 4.965 1.00 0.00 C ATOM 211 O LYS A 15 -1.458 -10.824 3.983 1.00 0.00 O ATOM 212 CB LYS A 15 0.560 -9.183 6.022 1.00 0.00 C ATOM 213 CG LYS A 15 -0.031 -9.477 7.403 1.00 0.00 C ATOM 214 CD LYS A 15 -0.222 -8.186 8.202 1.00 0.00 C ATOM 215 CE LYS A 15 -0.889 -8.470 9.550 1.00 0.00 C ATOM 216 NZ LYS A 15 -1.666 -7.294 10.002 1.00 0.00 N ATOM 0 H LYS A 15 0.515 -9.927 3.134 1.00 0.00 H new ATOM 0 HA LYS A 15 1.215 -11.160 5.711 1.00 0.00 H new ATOM 0 HB2 LYS A 15 1.568 -8.782 6.132 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -0.035 -8.418 5.523 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -0.989 -9.986 7.292 1.00 0.00 H new ATOM 0 HG3 LYS A 15 0.628 -10.153 7.948 1.00 0.00 H new ATOM 0 HD2 LYS A 15 0.744 -7.708 8.364 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -0.832 -7.487 7.630 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -1.546 -9.335 9.462 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -0.131 -8.719 10.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -2.112 -7.504 10.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -1.031 -6.477 10.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -2.402 -7.074 9.301 1.00 0.00 H new ATOM 230 N THR A 16 -1.127 -11.954 5.914 1.00 0.00 N ATOM 231 CA THR A 16 -2.403 -12.647 5.856 1.00 0.00 C ATOM 232 C THR A 16 -3.538 -11.712 6.279 1.00 0.00 C ATOM 233 O THR A 16 -3.459 -11.067 7.323 1.00 0.00 O ATOM 234 CB THR A 16 -2.297 -13.904 6.722 1.00 0.00 C ATOM 235 OG1 THR A 16 -1.004 -14.423 6.425 1.00 0.00 O ATOM 236 CG2 THR A 16 -3.255 -15.008 6.271 1.00 0.00 C ATOM 0 H THR A 16 -0.554 -12.182 6.727 1.00 0.00 H new ATOM 0 HA THR A 16 -2.640 -12.955 4.838 1.00 0.00 H new ATOM 0 HB THR A 16 -2.503 -13.647 7.761 1.00 0.00 H new ATOM 0 HG1 THR A 16 -0.852 -15.239 6.946 1.00 0.00 H new ATOM 0 HG21 THR A 16 -3.139 -15.877 6.919 1.00 0.00 H new ATOM 0 HG22 THR A 16 -4.281 -14.646 6.330 1.00 0.00 H new ATOM 0 HG23 THR A 16 -3.028 -15.289 5.243 1.00 0.00 H new ATOM 244 N CYS A 17 -4.567 -11.668 5.445 1.00 0.00 N ATOM 245 CA CYS A 17 -5.716 -10.823 5.719 1.00 0.00 C ATOM 246 C CYS A 17 -6.639 -11.565 6.688 1.00 0.00 C ATOM 247 O CYS A 17 -7.091 -12.671 6.395 1.00 0.00 O ATOM 248 CB CYS A 17 -6.442 -10.422 4.434 1.00 0.00 C ATOM 249 SG CYS A 17 -5.345 -10.020 3.025 1.00 0.00 S ATOM 0 H CYS A 17 -4.628 -12.204 4.579 1.00 0.00 H new ATOM 0 HA CYS A 17 -5.384 -9.891 6.177 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -7.105 -11.235 4.139 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -7.072 -9.557 4.644 1.00 0.00 H new ATOM 254 N SER A 18 -6.890 -10.927 7.821 1.00 0.00 N ATOM 255 CA SER A 18 -7.751 -11.514 8.835 1.00 0.00 C ATOM 256 C SER A 18 -9.134 -10.861 8.788 1.00 0.00 C ATOM 257 O SER A 18 -9.269 -9.666 9.042 1.00 0.00 O ATOM 258 CB SER A 18 -7.140 -11.364 10.230 1.00 0.00 C ATOM 259 OG SER A 18 -6.729 -10.025 10.491 1.00 0.00 O ATOM 0 H SER A 18 -6.513 -10.010 8.060 1.00 0.00 H new ATOM 0 HA SER A 18 -7.851 -12.579 8.625 1.00 0.00 H new ATOM 0 HB2 SER A 18 -7.868 -11.672 10.980 1.00 0.00 H new ATOM 0 HB3 SER A 18 -6.283 -12.031 10.324 1.00 0.00 H new ATOM 0 HG SER A 18 -7.337 -9.402 10.041 1.00 0.00 H new ATOM 265 N GLY A 19 -10.127 -11.676 8.462 1.00 0.00 N ATOM 266 CA GLY A 19 -11.494 -11.194 8.378 1.00 0.00 C ATOM 267 C GLY A 19 -11.728 -10.430 7.073 1.00 0.00 C ATOM 268 O GLY A 19 -12.866 -10.115 6.729 1.00 0.00 O ATOM 0 H GLY A 19 -10.011 -12.668 8.253 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -12.184 -12.035 8.440 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -11.707 -10.544 9.227 1.00 0.00 H new ATOM 272 N GLU A 20 -10.632 -10.154 6.382 1.00 0.00 N ATOM 273 CA GLU A 20 -10.702 -9.433 5.123 1.00 0.00 C ATOM 274 C GLU A 20 -10.520 -10.397 3.949 1.00 0.00 C ATOM 275 O GLU A 20 -10.000 -11.498 4.120 1.00 0.00 O ATOM 276 CB GLU A 20 -9.666 -8.308 5.076 1.00 0.00 C ATOM 277 CG GLU A 20 -9.546 -7.616 6.435 1.00 0.00 C ATOM 278 CD GLU A 20 -8.913 -6.231 6.290 1.00 0.00 C ATOM 279 OE1 GLU A 20 -7.674 -6.187 6.129 1.00 0.00 O ATOM 280 OE2 GLU A 20 -9.682 -5.247 6.344 1.00 0.00 O ATOM 0 H GLU A 20 -9.690 -10.417 6.671 1.00 0.00 H new ATOM 0 HA GLU A 20 -11.688 -8.976 5.043 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -8.697 -8.713 4.783 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -9.949 -7.579 4.317 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -10.533 -7.523 6.888 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -8.943 -8.227 7.106 1.00 0.00 H new ATOM 287 N THR A 21 -10.957 -9.947 2.782 1.00 0.00 N ATOM 288 CA THR A 21 -10.848 -10.756 1.579 1.00 0.00 C ATOM 289 C THR A 21 -10.444 -9.886 0.387 1.00 0.00 C ATOM 290 O THR A 21 -10.573 -10.305 -0.763 1.00 0.00 O ATOM 291 CB THR A 21 -12.178 -11.484 1.377 1.00 0.00 C ATOM 292 OG1 THR A 21 -13.162 -10.489 1.644 1.00 0.00 O ATOM 293 CG2 THR A 21 -12.428 -12.552 2.444 1.00 0.00 C ATOM 0 H THR A 21 -11.387 -9.033 2.643 1.00 0.00 H new ATOM 0 HA THR A 21 -10.062 -11.505 1.676 1.00 0.00 H new ATOM 0 HB THR A 21 -12.193 -11.946 0.390 1.00 0.00 H new ATOM 0 HG1 THR A 21 -14.056 -10.875 1.534 1.00 0.00 H new ATOM 0 HG21 THR A 21 -13.385 -13.039 2.255 1.00 0.00 H new ATOM 0 HG22 THR A 21 -11.630 -13.294 2.410 1.00 0.00 H new ATOM 0 HG23 THR A 21 -12.447 -12.085 3.429 1.00 0.00 H new ATOM 301 N ASN A 22 -9.963 -8.693 0.701 1.00 0.00 N ATOM 302 CA ASN A 22 -9.539 -7.761 -0.330 1.00 0.00 C ATOM 303 C ASN A 22 -8.196 -7.144 0.066 1.00 0.00 C ATOM 304 O ASN A 22 -7.857 -7.094 1.247 1.00 0.00 O ATOM 305 CB ASN A 22 -10.550 -6.625 -0.495 1.00 0.00 C ATOM 306 CG ASN A 22 -11.923 -7.167 -0.901 1.00 0.00 C ATOM 307 OD1 ASN A 22 -12.272 -7.234 -2.067 1.00 0.00 O ATOM 308 ND2 ASN A 22 -12.678 -7.549 0.125 1.00 0.00 N ATOM 0 H ASN A 22 -9.857 -8.350 1.656 1.00 0.00 H new ATOM 0 HA ASN A 22 -9.457 -8.311 -1.268 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -10.636 -6.071 0.440 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -10.194 -5.924 -1.250 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -13.611 -7.925 -0.041 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -12.324 -7.466 1.078 1.00 0.00 H new ATOM 315 N CYS A 23 -7.468 -6.691 -0.944 1.00 0.00 N ATOM 316 CA CYS A 23 -6.170 -6.080 -0.716 1.00 0.00 C ATOM 317 C CYS A 23 -6.236 -4.624 -1.181 1.00 0.00 C ATOM 318 O CYS A 23 -6.789 -4.332 -2.240 1.00 0.00 O ATOM 319 CB CYS A 23 -5.050 -6.853 -1.416 1.00 0.00 C ATOM 320 SG CYS A 23 -5.038 -8.653 -1.087 1.00 0.00 S ATOM 0 H CYS A 23 -7.753 -6.735 -1.922 1.00 0.00 H new ATOM 0 HA CYS A 23 -5.933 -6.110 0.347 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -5.136 -6.695 -2.491 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -4.092 -6.435 -1.108 1.00 0.00 H new ATOM 325 N TYR A 24 -5.664 -3.750 -0.367 1.00 0.00 N ATOM 326 CA TYR A 24 -5.650 -2.331 -0.682 1.00 0.00 C ATOM 327 C TYR A 24 -4.219 -1.823 -0.862 1.00 0.00 C ATOM 328 O TYR A 24 -3.284 -2.370 -0.279 1.00 0.00 O ATOM 329 CB TYR A 24 -6.282 -1.626 0.520 1.00 0.00 C ATOM 330 CG TYR A 24 -5.323 -1.420 1.695 1.00 0.00 C ATOM 331 CD1 TYR A 24 -4.556 -0.276 1.767 1.00 0.00 C ATOM 332 CD2 TYR A 24 -5.226 -2.379 2.682 1.00 0.00 C ATOM 333 CE1 TYR A 24 -3.654 -0.082 2.872 1.00 0.00 C ATOM 334 CE2 TYR A 24 -4.324 -2.185 3.788 1.00 0.00 C ATOM 335 CZ TYR A 24 -3.582 -1.046 3.828 1.00 0.00 C ATOM 336 OH TYR A 24 -2.730 -0.863 4.872 1.00 0.00 O ATOM 0 H TYR A 24 -5.206 -3.996 0.511 1.00 0.00 H new ATOM 0 HA TYR A 24 -6.188 -2.139 -1.610 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -6.663 -0.656 0.201 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -7.138 -2.208 0.861 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -4.632 0.475 0.994 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -5.826 -3.275 2.625 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -3.048 0.809 2.940 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -4.239 -2.927 4.568 1.00 0.00 H new ATOM 0 HH TYR A 24 -2.950 -1.495 5.588 1.00 0.00 H new ATOM 346 N LYS A 25 -4.092 -0.782 -1.672 1.00 0.00 N ATOM 347 CA LYS A 25 -2.790 -0.194 -1.936 1.00 0.00 C ATOM 348 C LYS A 25 -2.939 1.323 -2.074 1.00 0.00 C ATOM 349 O LYS A 25 -3.600 1.804 -2.992 1.00 0.00 O ATOM 350 CB LYS A 25 -2.137 -0.860 -3.149 1.00 0.00 C ATOM 351 CG LYS A 25 -0.888 -0.094 -3.589 1.00 0.00 C ATOM 352 CD LYS A 25 -0.420 -0.556 -4.971 1.00 0.00 C ATOM 353 CE LYS A 25 -1.564 -0.499 -5.984 1.00 0.00 C ATOM 354 NZ LYS A 25 -2.294 -1.787 -6.014 1.00 0.00 N ATOM 0 H LYS A 25 -4.869 -0.331 -2.154 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.114 -0.374 -1.100 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -1.870 -1.888 -2.904 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.850 -0.903 -3.972 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -1.102 0.975 -3.612 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.090 -0.244 -2.862 1.00 0.00 H new ATOM 0 HD2 LYS A 25 0.402 0.074 -5.310 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -0.036 -1.574 -4.907 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -2.249 0.308 -5.723 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -1.169 -0.275 -6.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -2.479 -2.058 -7.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -1.720 -2.522 -5.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -3.197 -1.686 -5.508 1.00 0.00 H new ATOM 368 N LYS A 26 -2.313 2.033 -1.147 1.00 0.00 N ATOM 369 CA LYS A 26 -2.367 3.485 -1.154 1.00 0.00 C ATOM 370 C LYS A 26 -0.991 4.041 -1.527 1.00 0.00 C ATOM 371 O LYS A 26 0.034 3.487 -1.134 1.00 0.00 O ATOM 372 CB LYS A 26 -2.899 4.007 0.182 1.00 0.00 C ATOM 373 CG LYS A 26 -2.335 3.197 1.352 1.00 0.00 C ATOM 374 CD LYS A 26 -2.794 3.777 2.691 1.00 0.00 C ATOM 375 CE LYS A 26 -1.891 4.934 3.126 1.00 0.00 C ATOM 376 NZ LYS A 26 -2.359 6.206 2.533 1.00 0.00 N ATOM 0 H LYS A 26 -1.766 1.630 -0.386 1.00 0.00 H new ATOM 0 HA LYS A 26 -3.069 3.836 -1.910 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -2.630 5.057 0.299 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -3.988 3.954 0.190 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -2.659 2.160 1.271 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -1.246 3.195 1.306 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -3.823 4.126 2.607 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -2.784 2.997 3.452 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -1.888 5.012 4.213 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -0.864 4.738 2.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -1.707 6.497 1.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -3.312 6.075 2.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -2.388 6.942 3.268 1.00 0.00 H new ATOM 390 N TRP A 27 -1.014 5.130 -2.281 1.00 0.00 N ATOM 391 CA TRP A 27 0.219 5.767 -2.712 1.00 0.00 C ATOM 392 C TRP A 27 -0.078 7.246 -2.971 1.00 0.00 C ATOM 393 O TRP A 27 -1.180 7.597 -3.390 1.00 0.00 O ATOM 394 CB TRP A 27 0.808 5.054 -3.931 1.00 0.00 C ATOM 395 CG TRP A 27 -0.027 5.204 -5.204 1.00 0.00 C ATOM 396 CD1 TRP A 27 0.118 6.104 -6.185 1.00 0.00 C ATOM 397 CD2 TRP A 27 -1.151 4.387 -5.595 1.00 0.00 C ATOM 398 NE1 TRP A 27 -0.826 5.929 -7.176 1.00 0.00 N ATOM 399 CE2 TRP A 27 -1.622 4.852 -6.806 1.00 0.00 C ATOM 400 CE3 TRP A 27 -1.750 3.292 -4.948 1.00 0.00 C ATOM 401 CZ2 TRP A 27 -2.712 4.281 -7.475 1.00 0.00 C ATOM 402 CZ3 TRP A 27 -2.838 2.734 -5.628 1.00 0.00 C ATOM 403 CH2 TRP A 27 -3.324 3.189 -6.848 1.00 0.00 C ATOM 0 H TRP A 27 -1.866 5.587 -2.604 1.00 0.00 H new ATOM 0 HA TRP A 27 0.981 5.695 -1.936 1.00 0.00 H new ATOM 0 HB2 TRP A 27 1.809 5.443 -4.118 1.00 0.00 H new ATOM 0 HB3 TRP A 27 0.915 3.994 -3.702 1.00 0.00 H new ATOM 0 HD1 TRP A 27 0.879 6.871 -6.199 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -0.922 6.487 -8.024 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -1.398 2.911 -4.001 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -3.061 4.662 -8.423 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -3.335 1.890 -5.173 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -4.170 2.702 -7.310 1.00 0.00 H new ATOM 414 N TRP A 28 0.924 8.072 -2.710 1.00 0.00 N ATOM 415 CA TRP A 28 0.784 9.505 -2.909 1.00 0.00 C ATOM 416 C TRP A 28 2.186 10.105 -3.032 1.00 0.00 C ATOM 417 O TRP A 28 3.180 9.428 -2.771 1.00 0.00 O ATOM 418 CB TRP A 28 -0.041 10.136 -1.786 1.00 0.00 C ATOM 419 CG TRP A 28 0.611 10.039 -0.405 1.00 0.00 C ATOM 420 CD1 TRP A 28 1.281 10.991 0.260 1.00 0.00 C ATOM 421 CD2 TRP A 28 0.629 8.883 0.458 1.00 0.00 C ATOM 422 NE1 TRP A 28 1.726 10.534 1.484 1.00 0.00 N ATOM 423 CE2 TRP A 28 1.317 9.211 1.608 1.00 0.00 C ATOM 424 CE3 TRP A 28 0.080 7.601 0.273 1.00 0.00 C ATOM 425 CZ2 TRP A 28 1.521 8.313 2.662 1.00 0.00 C ATOM 426 CZ3 TRP A 28 0.293 6.715 1.336 1.00 0.00 C ATOM 427 CH2 TRP A 28 0.984 7.031 2.500 1.00 0.00 C ATOM 0 H TRP A 28 1.836 7.777 -2.362 1.00 0.00 H new ATOM 0 HA TRP A 28 0.235 9.715 -3.827 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -0.214 11.186 -2.022 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -1.017 9.652 -1.750 1.00 0.00 H new ATOM 0 HD1 TRP A 28 1.451 11.990 -0.115 1.00 0.00 H new ATOM 0 HE1 TRP A 28 2.257 11.069 2.171 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -0.463 7.322 -0.618 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 2.064 8.594 3.552 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -0.108 5.716 1.245 1.00 0.00 H new ATOM 0 HH2 TRP A 28 1.106 6.290 3.276 1.00 0.00 H new ATOM 438 N SER A 29 2.222 11.368 -3.429 1.00 0.00 N ATOM 439 CA SER A 29 3.486 12.067 -3.589 1.00 0.00 C ATOM 440 C SER A 29 3.690 13.050 -2.435 1.00 0.00 C ATOM 441 O SER A 29 2.755 13.740 -2.029 1.00 0.00 O ATOM 442 CB SER A 29 3.543 12.802 -4.929 1.00 0.00 C ATOM 443 OG SER A 29 3.007 14.119 -4.839 1.00 0.00 O ATOM 0 H SER A 29 1.396 11.926 -3.645 1.00 0.00 H new ATOM 0 HA SER A 29 4.289 11.330 -3.576 1.00 0.00 H new ATOM 0 HB2 SER A 29 4.577 12.854 -5.270 1.00 0.00 H new ATOM 0 HB3 SER A 29 2.989 12.235 -5.677 1.00 0.00 H new ATOM 0 HG SER A 29 3.063 14.556 -5.715 1.00 0.00 H new ATOM 449 N ASP A 30 4.918 13.084 -1.939 1.00 0.00 N ATOM 450 CA ASP A 30 5.257 13.972 -0.839 1.00 0.00 C ATOM 451 C ASP A 30 6.509 14.772 -1.203 1.00 0.00 C ATOM 452 O ASP A 30 7.214 14.431 -2.152 1.00 0.00 O ATOM 453 CB ASP A 30 5.554 13.181 0.436 1.00 0.00 C ATOM 454 CG ASP A 30 4.392 12.332 0.956 1.00 0.00 C ATOM 455 OD1 ASP A 30 3.821 11.586 0.131 1.00 0.00 O ATOM 456 OD2 ASP A 30 4.101 12.448 2.166 1.00 0.00 O ATOM 0 H ASP A 30 5.691 12.511 -2.278 1.00 0.00 H new ATOM 0 HA ASP A 30 4.407 14.632 -0.663 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.407 12.528 0.250 1.00 0.00 H new ATOM 0 HB3 ASP A 30 5.852 13.880 1.218 1.00 0.00 H new ATOM 461 N HIS A 31 6.749 15.819 -0.428 1.00 0.00 N ATOM 462 CA HIS A 31 7.905 16.670 -0.656 1.00 0.00 C ATOM 463 C HIS A 31 9.186 15.879 -0.383 1.00 0.00 C ATOM 464 O HIS A 31 10.282 16.339 -0.699 1.00 0.00 O ATOM 465 CB HIS A 31 7.810 17.950 0.176 1.00 0.00 C ATOM 466 CG HIS A 31 6.858 18.979 -0.386 1.00 0.00 C ATOM 467 ND1 HIS A 31 7.285 20.178 -0.930 1.00 0.00 N ATOM 468 CD2 HIS A 31 5.498 18.975 -0.483 1.00 0.00 C ATOM 469 CE1 HIS A 31 6.221 20.857 -1.333 1.00 0.00 C ATOM 470 NE2 HIS A 31 5.114 20.110 -1.055 1.00 0.00 N ATOM 0 H HIS A 31 6.163 16.098 0.359 1.00 0.00 H new ATOM 0 HA HIS A 31 7.929 16.985 -1.699 1.00 0.00 H new ATOM 0 HB2 HIS A 31 7.494 17.692 1.187 1.00 0.00 H new ATOM 0 HB3 HIS A 31 8.802 18.394 0.256 1.00 0.00 H new ATOM 0 HD2 HIS A 31 4.844 18.183 -0.151 1.00 0.00 H new ATOM 0 HE1 HIS A 31 6.229 21.831 -1.800 1.00 0.00 H new ATOM 0 HE2 HIS A 31 4.150 20.379 -1.254 1.00 0.00 H new ATOM 479 N ARG A 32 9.005 14.704 0.200 1.00 0.00 N ATOM 480 CA ARG A 32 10.133 13.845 0.519 1.00 0.00 C ATOM 481 C ARG A 32 10.245 12.714 -0.506 1.00 0.00 C ATOM 482 O ARG A 32 11.337 12.208 -0.759 1.00 0.00 O ATOM 483 CB ARG A 32 9.988 13.243 1.918 1.00 0.00 C ATOM 484 CG ARG A 32 9.811 14.339 2.971 1.00 0.00 C ATOM 485 CD ARG A 32 10.053 13.791 4.379 1.00 0.00 C ATOM 486 NE ARG A 32 8.999 12.813 4.730 1.00 0.00 N ATOM 487 CZ ARG A 32 8.922 12.183 5.910 1.00 0.00 C ATOM 488 NH1 ARG A 32 9.837 12.423 6.859 1.00 0.00 N ATOM 489 NH2 ARG A 32 7.931 11.312 6.141 1.00 0.00 N ATOM 0 H ARG A 32 8.094 14.326 0.460 1.00 0.00 H new ATOM 0 HA ARG A 32 11.035 14.457 0.491 1.00 0.00 H new ATOM 0 HB2 ARG A 32 9.131 12.570 1.941 1.00 0.00 H new ATOM 0 HB3 ARG A 32 10.869 12.646 2.154 1.00 0.00 H new ATOM 0 HG2 ARG A 32 10.504 15.156 2.771 1.00 0.00 H new ATOM 0 HG3 ARG A 32 8.804 14.752 2.906 1.00 0.00 H new ATOM 0 HD2 ARG A 32 11.033 13.316 4.430 1.00 0.00 H new ATOM 0 HD3 ARG A 32 10.057 14.608 5.100 1.00 0.00 H new ATOM 0 HE ARG A 32 8.287 12.606 4.030 1.00 0.00 H new ATOM 0 HH11 ARG A 32 10.592 13.085 6.683 1.00 0.00 H new ATOM 0 HH12 ARG A 32 9.778 11.943 7.757 1.00 0.00 H new ATOM 0 HH21 ARG A 32 7.235 11.128 5.419 1.00 0.00 H new ATOM 0 HH22 ARG A 32 7.873 10.832 7.039 1.00 0.00 H new ATOM 503 N GLY A 33 9.101 12.352 -1.068 1.00 0.00 N ATOM 504 CA GLY A 33 9.058 11.291 -2.060 1.00 0.00 C ATOM 505 C GLY A 33 7.676 10.634 -2.099 1.00 0.00 C ATOM 506 O GLY A 33 6.801 10.972 -1.304 1.00 0.00 O ATOM 0 H GLY A 33 8.197 12.774 -0.855 1.00 0.00 H new ATOM 0 HA2 GLY A 33 9.300 11.696 -3.042 1.00 0.00 H new ATOM 0 HA3 GLY A 33 9.815 10.541 -1.829 1.00 0.00 H new ATOM 510 N THR A 34 7.524 9.706 -3.033 1.00 0.00 N ATOM 511 CA THR A 34 6.265 8.998 -3.186 1.00 0.00 C ATOM 512 C THR A 34 6.102 7.953 -2.081 1.00 0.00 C ATOM 513 O THR A 34 6.883 7.007 -1.997 1.00 0.00 O ATOM 514 CB THR A 34 6.225 8.404 -4.596 1.00 0.00 C ATOM 515 OG1 THR A 34 6.048 9.535 -5.444 1.00 0.00 O ATOM 516 CG2 THR A 34 4.975 7.556 -4.839 1.00 0.00 C ATOM 0 H THR A 34 8.252 9.428 -3.691 1.00 0.00 H new ATOM 0 HA THR A 34 5.416 9.673 -3.078 1.00 0.00 H new ATOM 0 HB THR A 34 7.114 7.794 -4.758 1.00 0.00 H new ATOM 0 HG1 THR A 34 6.013 9.241 -6.378 1.00 0.00 H new ATOM 0 HG21 THR A 34 4.996 7.159 -5.854 1.00 0.00 H new ATOM 0 HG22 THR A 34 4.951 6.731 -4.127 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.086 8.173 -4.710 1.00 0.00 H new ATOM 524 N ILE A 35 5.082 8.159 -1.261 1.00 0.00 N ATOM 525 CA ILE A 35 4.807 7.246 -0.165 1.00 0.00 C ATOM 526 C ILE A 35 3.785 6.202 -0.620 1.00 0.00 C ATOM 527 O ILE A 35 2.804 6.536 -1.283 1.00 0.00 O ATOM 528 CB ILE A 35 4.379 8.021 1.083 1.00 0.00 C ATOM 529 CG1 ILE A 35 5.450 9.034 1.493 1.00 0.00 C ATOM 530 CG2 ILE A 35 4.025 7.067 2.226 1.00 0.00 C ATOM 531 CD1 ILE A 35 5.139 9.636 2.865 1.00 0.00 C ATOM 0 H ILE A 35 4.436 8.945 -1.334 1.00 0.00 H new ATOM 0 HA ILE A 35 5.711 6.706 0.117 1.00 0.00 H new ATOM 0 HB ILE A 35 3.477 8.585 0.843 1.00 0.00 H new ATOM 0 HG12 ILE A 35 6.425 8.548 1.518 1.00 0.00 H new ATOM 0 HG13 ILE A 35 5.509 9.828 0.748 1.00 0.00 H new ATOM 0 HG21 ILE A 35 3.724 7.643 3.101 1.00 0.00 H new ATOM 0 HG22 ILE A 35 3.204 6.419 1.918 1.00 0.00 H new ATOM 0 HG23 ILE A 35 4.894 6.458 2.474 1.00 0.00 H new ATOM 0 HD11 ILE A 35 5.916 10.353 3.132 1.00 0.00 H new ATOM 0 HD12 ILE A 35 4.174 10.142 2.830 1.00 0.00 H new ATOM 0 HD13 ILE A 35 5.105 8.842 3.611 1.00 0.00 H new ATOM 543 N ILE A 36 4.050 4.959 -0.247 1.00 0.00 N ATOM 544 CA ILE A 36 3.166 3.864 -0.609 1.00 0.00 C ATOM 545 C ILE A 36 2.938 2.973 0.614 1.00 0.00 C ATOM 546 O ILE A 36 3.892 2.553 1.267 1.00 0.00 O ATOM 547 CB ILE A 36 3.714 3.112 -1.824 1.00 0.00 C ATOM 548 CG1 ILE A 36 4.335 4.080 -2.833 1.00 0.00 C ATOM 549 CG2 ILE A 36 2.632 2.237 -2.460 1.00 0.00 C ATOM 550 CD1 ILE A 36 4.923 3.325 -4.027 1.00 0.00 C ATOM 0 H ILE A 36 4.865 4.685 0.302 1.00 0.00 H new ATOM 0 HA ILE A 36 2.191 4.246 -0.912 1.00 0.00 H new ATOM 0 HB ILE A 36 4.508 2.447 -1.485 1.00 0.00 H new ATOM 0 HG12 ILE A 36 3.579 4.784 -3.180 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.116 4.665 -2.348 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.047 1.713 -3.321 1.00 0.00 H new ATOM 0 HG22 ILE A 36 2.276 1.510 -1.730 1.00 0.00 H new ATOM 0 HG23 ILE A 36 1.800 2.864 -2.783 1.00 0.00 H new ATOM 0 HD11 ILE A 36 5.358 4.036 -4.729 1.00 0.00 H new ATOM 0 HD12 ILE A 36 5.696 2.640 -3.679 1.00 0.00 H new ATOM 0 HD13 ILE A 36 4.135 2.760 -4.525 1.00 0.00 H new ATOM 562 N GLU A 37 1.668 2.712 0.887 1.00 0.00 N ATOM 563 CA GLU A 37 1.302 1.878 2.020 1.00 0.00 C ATOM 564 C GLU A 37 0.318 0.792 1.583 1.00 0.00 C ATOM 565 O GLU A 37 -0.796 1.093 1.158 1.00 0.00 O ATOM 566 CB GLU A 37 0.720 2.722 3.155 1.00 0.00 C ATOM 567 CG GLU A 37 1.022 2.093 4.517 1.00 0.00 C ATOM 568 CD GLU A 37 0.847 3.113 5.644 1.00 0.00 C ATOM 569 OE1 GLU A 37 1.640 4.079 5.663 1.00 0.00 O ATOM 570 OE2 GLU A 37 -0.076 2.903 6.460 1.00 0.00 O ATOM 0 H GLU A 37 0.880 3.063 0.343 1.00 0.00 H new ATOM 0 HA GLU A 37 2.203 1.393 2.397 1.00 0.00 H new ATOM 0 HB2 GLU A 37 1.137 3.728 3.115 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -0.358 2.818 3.026 1.00 0.00 H new ATOM 0 HG2 GLU A 37 0.359 1.244 4.684 1.00 0.00 H new ATOM 0 HG3 GLU A 37 2.042 1.708 4.525 1.00 0.00 H new ATOM 577 N ARG A 38 0.765 -0.450 1.703 1.00 0.00 N ATOM 578 CA ARG A 38 -0.063 -1.583 1.326 1.00 0.00 C ATOM 579 C ARG A 38 -0.428 -2.408 2.562 1.00 0.00 C ATOM 580 O ARG A 38 0.310 -2.419 3.546 1.00 0.00 O ATOM 581 CB ARG A 38 0.658 -2.480 0.318 1.00 0.00 C ATOM 582 CG ARG A 38 1.439 -1.645 -0.699 1.00 0.00 C ATOM 583 CD ARG A 38 2.172 -2.543 -1.698 1.00 0.00 C ATOM 584 NE ARG A 38 3.377 -1.852 -2.210 1.00 0.00 N ATOM 585 CZ ARG A 38 3.379 -1.032 -3.269 1.00 0.00 C ATOM 586 NH1 ARG A 38 2.242 -0.795 -3.936 1.00 0.00 N ATOM 587 NH2 ARG A 38 4.520 -0.449 -3.662 1.00 0.00 N ATOM 0 H ARG A 38 1.690 -0.696 2.056 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.970 -1.192 0.865 1.00 0.00 H new ATOM 0 HB2 ARG A 38 1.339 -3.150 0.844 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -0.068 -3.106 -0.201 1.00 0.00 H new ATOM 0 HG2 ARG A 38 0.757 -0.983 -1.232 1.00 0.00 H new ATOM 0 HG3 ARG A 38 2.157 -1.011 -0.179 1.00 0.00 H new ATOM 0 HD2 ARG A 38 2.456 -3.479 -1.218 1.00 0.00 H new ATOM 0 HD3 ARG A 38 1.509 -2.797 -2.525 1.00 0.00 H new ATOM 0 HE ARG A 38 4.261 -2.010 -1.726 1.00 0.00 H new ATOM 0 HH11 ARG A 38 1.374 -1.239 -3.638 1.00 0.00 H new ATOM 0 HH12 ARG A 38 2.244 -0.170 -4.742 1.00 0.00 H new ATOM 0 HH21 ARG A 38 5.386 -0.630 -3.155 1.00 0.00 H new ATOM 0 HH22 ARG A 38 4.522 0.176 -4.468 1.00 0.00 H new ATOM 601 N GLY A 39 -1.568 -3.077 2.471 1.00 0.00 N ATOM 602 CA GLY A 39 -2.040 -3.903 3.570 1.00 0.00 C ATOM 603 C GLY A 39 -3.276 -4.707 3.160 1.00 0.00 C ATOM 604 O GLY A 39 -3.733 -4.612 2.021 1.00 0.00 O ATOM 0 H GLY A 39 -2.178 -3.064 1.654 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.248 -4.582 3.885 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -2.279 -3.273 4.427 1.00 0.00 H new ATOM 608 N CYS A 40 -3.782 -5.480 4.110 1.00 0.00 N ATOM 609 CA CYS A 40 -4.955 -6.300 3.861 1.00 0.00 C ATOM 610 C CYS A 40 -6.200 -5.448 4.121 1.00 0.00 C ATOM 611 O CYS A 40 -6.156 -4.502 4.906 1.00 0.00 O ATOM 612 CB CYS A 40 -4.947 -7.572 4.711 1.00 0.00 C ATOM 613 SG CYS A 40 -3.888 -8.918 4.068 1.00 0.00 S ATOM 0 H CYS A 40 -3.401 -5.556 5.053 1.00 0.00 H new ATOM 0 HA CYS A 40 -4.954 -6.635 2.824 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -4.615 -7.317 5.718 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -5.969 -7.942 4.796 1.00 0.00 H new ATOM 618 N GLY A 41 -7.279 -5.815 3.446 1.00 0.00 N ATOM 619 CA GLY A 41 -8.534 -5.096 3.593 1.00 0.00 C ATOM 620 C GLY A 41 -8.703 -4.055 2.485 1.00 0.00 C ATOM 621 O GLY A 41 -7.988 -4.086 1.485 1.00 0.00 O ATOM 0 H GLY A 41 -7.311 -6.600 2.796 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -9.366 -5.800 3.565 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -8.564 -4.605 4.566 1.00 0.00 H new ATOM 625 N CYS A 42 -9.654 -3.159 2.699 1.00 0.00 N ATOM 626 CA CYS A 42 -9.927 -2.110 1.731 1.00 0.00 C ATOM 627 C CYS A 42 -10.401 -0.868 2.488 1.00 0.00 C ATOM 628 O CYS A 42 -11.585 -0.537 2.465 1.00 0.00 O ATOM 629 CB CYS A 42 -10.944 -2.561 0.680 1.00 0.00 C ATOM 630 SG CYS A 42 -11.463 -1.258 -0.494 1.00 0.00 S ATOM 0 H CYS A 42 -10.246 -3.137 3.529 1.00 0.00 H new ATOM 0 HA CYS A 42 -9.016 -1.873 1.182 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -10.518 -3.390 0.115 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -11.828 -2.943 1.191 1.00 0.00 H new ATOM 635 N PRO A 43 -9.451 -0.214 3.140 1.00 0.00 N ATOM 636 CA PRO A 43 -9.680 0.998 3.928 1.00 0.00 C ATOM 637 C PRO A 43 -10.015 2.183 3.020 1.00 0.00 C ATOM 638 O PRO A 43 -10.080 2.034 1.801 1.00 0.00 O ATOM 639 CB PRO A 43 -8.342 1.218 4.638 1.00 0.00 C ATOM 640 CG PRO A 43 -7.342 0.588 3.713 1.00 0.00 C ATOM 641 CD PRO A 43 -8.044 -0.620 3.158 1.00 0.00 C ATOM 0 HA PRO A 43 -10.519 0.905 4.618 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -8.137 2.278 4.787 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -8.329 0.749 5.622 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -7.049 1.275 2.919 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -6.432 0.308 4.244 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -7.685 -0.871 2.160 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -7.887 -1.499 3.783 1.00 0.00 H new ATOM 649 N LYS A 44 -10.217 3.332 3.648 1.00 0.00 N ATOM 650 CA LYS A 44 -10.544 4.541 2.910 1.00 0.00 C ATOM 651 C LYS A 44 -9.408 5.553 3.071 1.00 0.00 C ATOM 652 O LYS A 44 -8.836 5.683 4.152 1.00 0.00 O ATOM 653 CB LYS A 44 -11.911 5.077 3.339 1.00 0.00 C ATOM 654 CG LYS A 44 -12.204 6.424 2.674 1.00 0.00 C ATOM 655 CD LYS A 44 -11.661 7.580 3.516 1.00 0.00 C ATOM 656 CE LYS A 44 -12.408 8.880 3.210 1.00 0.00 C ATOM 657 NZ LYS A 44 -11.884 9.987 4.040 1.00 0.00 N ATOM 0 H LYS A 44 -10.161 3.452 4.659 1.00 0.00 H new ATOM 0 HA LYS A 44 -10.632 4.326 1.845 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -12.687 4.359 3.073 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -11.938 5.189 4.423 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -11.754 6.449 1.682 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -13.279 6.541 2.539 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -11.759 7.341 4.575 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -10.598 7.712 3.316 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -12.301 9.128 2.154 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -13.473 8.748 3.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -12.402 10.861 3.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -12.008 9.755 5.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -10.873 10.123 3.838 1.00 0.00 H new ATOM 671 N VAL A 45 -9.116 6.245 1.979 1.00 0.00 N ATOM 672 CA VAL A 45 -8.059 7.242 1.985 1.00 0.00 C ATOM 673 C VAL A 45 -8.671 8.629 1.779 1.00 0.00 C ATOM 674 O VAL A 45 -9.816 8.748 1.345 1.00 0.00 O ATOM 675 CB VAL A 45 -7.004 6.892 0.934 1.00 0.00 C ATOM 676 CG1 VAL A 45 -6.461 5.478 1.151 1.00 0.00 C ATOM 677 CG2 VAL A 45 -7.565 7.052 -0.481 1.00 0.00 C ATOM 0 H VAL A 45 -9.593 6.135 1.084 1.00 0.00 H new ATOM 0 HA VAL A 45 -7.548 7.252 2.948 1.00 0.00 H new ATOM 0 HB VAL A 45 -6.175 7.590 1.047 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -5.713 5.255 0.390 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -6.005 5.411 2.139 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -7.278 4.760 1.079 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -6.795 6.797 -1.209 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -8.420 6.389 -0.610 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.880 8.084 -0.633 1.00 0.00 H new ATOM 687 N LYS A 46 -7.881 9.643 2.101 1.00 0.00 N ATOM 688 CA LYS A 46 -8.331 11.017 1.958 1.00 0.00 C ATOM 689 C LYS A 46 -8.078 11.484 0.523 1.00 0.00 C ATOM 690 O LYS A 46 -7.394 10.806 -0.243 1.00 0.00 O ATOM 691 CB LYS A 46 -7.681 11.907 3.018 1.00 0.00 C ATOM 692 CG LYS A 46 -7.584 11.180 4.361 1.00 0.00 C ATOM 693 CD LYS A 46 -7.594 12.173 5.525 1.00 0.00 C ATOM 694 CE LYS A 46 -7.822 11.455 6.856 1.00 0.00 C ATOM 695 NZ LYS A 46 -7.579 12.375 7.989 1.00 0.00 N ATOM 0 H LYS A 46 -6.932 9.540 2.460 1.00 0.00 H new ATOM 0 HA LYS A 46 -9.405 11.087 2.132 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -6.685 12.203 2.688 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -8.263 12.821 3.137 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -8.418 10.486 4.464 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -6.670 10.587 4.392 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -6.647 12.712 5.556 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -8.378 12.914 5.369 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -8.843 11.075 6.901 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -7.158 10.594 6.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -7.738 11.872 8.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -6.598 12.717 7.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -8.230 13.183 7.926 1.00 0.00 H new ATOM 709 N PRO A 47 -8.643 12.639 0.202 1.00 0.00 N ATOM 710 CA PRO A 47 -8.534 13.275 -1.112 1.00 0.00 C ATOM 711 C PRO A 47 -7.063 13.535 -1.444 1.00 0.00 C ATOM 712 O PRO A 47 -6.314 14.036 -0.606 1.00 0.00 O ATOM 713 CB PRO A 47 -9.269 14.605 -0.933 1.00 0.00 C ATOM 714 CG PRO A 47 -10.222 14.338 0.196 1.00 0.00 C ATOM 715 CD PRO A 47 -9.455 13.438 1.123 1.00 0.00 C ATOM 0 HA PRO A 47 -8.944 12.665 -1.917 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -8.579 15.414 -0.692 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -9.796 14.896 -1.841 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -10.519 15.262 0.693 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -11.135 13.859 -0.159 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -8.837 14.006 1.818 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -10.119 12.814 1.722 1.00 0.00 H new ATOM 723 N GLY A 48 -6.693 13.183 -2.666 1.00 0.00 N ATOM 724 CA GLY A 48 -5.324 13.372 -3.117 1.00 0.00 C ATOM 725 C GLY A 48 -4.550 12.053 -3.087 1.00 0.00 C ATOM 726 O GLY A 48 -3.703 11.807 -3.945 1.00 0.00 O ATOM 0 H GLY A 48 -7.317 12.768 -3.358 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -5.323 13.775 -4.130 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -4.826 14.105 -2.482 1.00 0.00 H new ATOM 730 N VAL A 49 -4.869 11.239 -2.091 1.00 0.00 N ATOM 731 CA VAL A 49 -4.213 9.951 -1.939 1.00 0.00 C ATOM 732 C VAL A 49 -4.871 8.935 -2.875 1.00 0.00 C ATOM 733 O VAL A 49 -6.075 8.996 -3.116 1.00 0.00 O ATOM 734 CB VAL A 49 -4.244 9.519 -0.471 1.00 0.00 C ATOM 735 CG1 VAL A 49 -3.195 8.440 -0.195 1.00 0.00 C ATOM 736 CG2 VAL A 49 -4.053 10.720 0.458 1.00 0.00 C ATOM 0 H VAL A 49 -5.572 11.446 -1.382 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.163 10.021 -2.222 1.00 0.00 H new ATOM 0 HB VAL A 49 -5.226 9.091 -0.268 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -3.238 8.151 0.855 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -3.395 7.570 -0.820 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -2.203 8.830 -0.424 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -4.079 10.386 1.495 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -3.091 11.190 0.252 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -4.853 11.441 0.289 1.00 0.00 H new ATOM 746 N ASN A 50 -4.050 8.024 -3.377 1.00 0.00 N ATOM 747 CA ASN A 50 -4.537 6.996 -4.281 1.00 0.00 C ATOM 748 C ASN A 50 -4.773 5.703 -3.498 1.00 0.00 C ATOM 749 O ASN A 50 -4.062 5.418 -2.536 1.00 0.00 O ATOM 750 CB ASN A 50 -3.515 6.702 -5.382 1.00 0.00 C ATOM 751 CG ASN A 50 -3.483 7.829 -6.416 1.00 0.00 C ATOM 752 OD1 ASN A 50 -4.317 7.918 -7.302 1.00 0.00 O ATOM 753 ND2 ASN A 50 -2.476 8.682 -6.254 1.00 0.00 N ATOM 0 H ASN A 50 -3.051 7.976 -3.175 1.00 0.00 H new ATOM 0 HA ASN A 50 -5.462 7.355 -4.733 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -2.526 6.580 -4.941 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -3.764 5.761 -5.872 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -2.367 9.469 -6.893 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -1.813 8.549 -5.491 1.00 0.00 H new ATOM 760 N LEU A 51 -5.775 4.956 -3.939 1.00 0.00 N ATOM 761 CA LEU A 51 -6.114 3.701 -3.290 1.00 0.00 C ATOM 762 C LEU A 51 -6.655 2.723 -4.335 1.00 0.00 C ATOM 763 O LEU A 51 -7.396 3.117 -5.234 1.00 0.00 O ATOM 764 CB LEU A 51 -7.070 3.943 -2.120 1.00 0.00 C ATOM 765 CG LEU A 51 -7.671 2.692 -1.476 1.00 0.00 C ATOM 766 CD1 LEU A 51 -6.573 1.742 -0.994 1.00 0.00 C ATOM 767 CD2 LEU A 51 -8.639 3.066 -0.352 1.00 0.00 C ATOM 0 H LEU A 51 -6.363 5.196 -4.737 1.00 0.00 H new ATOM 0 HA LEU A 51 -5.225 3.244 -2.855 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -6.538 4.503 -1.351 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -7.886 4.576 -2.468 1.00 0.00 H new ATOM 0 HG LEU A 51 -8.247 2.160 -2.234 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -7.027 0.861 -0.540 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -5.958 1.438 -1.841 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -5.951 2.249 -0.257 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -9.052 2.159 0.089 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -8.107 3.632 0.413 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -9.448 3.674 -0.756 1.00 0.00 H new ATOM 779 N ASN A 52 -6.265 1.466 -4.181 1.00 0.00 N ATOM 780 CA ASN A 52 -6.701 0.429 -5.099 1.00 0.00 C ATOM 781 C ASN A 52 -7.037 -0.838 -4.309 1.00 0.00 C ATOM 782 O ASN A 52 -6.193 -1.363 -3.585 1.00 0.00 O ATOM 783 CB ASN A 52 -5.600 0.082 -6.103 1.00 0.00 C ATOM 784 CG ASN A 52 -5.887 -1.254 -6.792 1.00 0.00 C ATOM 785 OD1 ASN A 52 -6.405 -1.314 -7.894 1.00 0.00 O ATOM 786 ND2 ASN A 52 -5.521 -2.318 -6.083 1.00 0.00 N ATOM 0 H ASN A 52 -5.651 1.143 -3.433 1.00 0.00 H new ATOM 0 HA ASN A 52 -7.574 0.800 -5.636 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -5.523 0.871 -6.851 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -4.639 0.032 -5.591 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -5.669 -3.255 -6.457 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -5.092 -2.197 -5.166 1.00 0.00 H new ATOM 793 N CYS A 53 -8.270 -1.291 -4.475 1.00 0.00 N ATOM 794 CA CYS A 53 -8.728 -2.486 -3.786 1.00 0.00 C ATOM 795 C CYS A 53 -8.984 -3.574 -4.831 1.00 0.00 C ATOM 796 O CYS A 53 -9.465 -3.287 -5.926 1.00 0.00 O ATOM 797 CB CYS A 53 -9.968 -2.209 -2.935 1.00 0.00 C ATOM 798 SG CYS A 53 -9.750 -0.914 -1.660 1.00 0.00 S ATOM 0 H CYS A 53 -8.967 -0.852 -5.077 1.00 0.00 H new ATOM 0 HA CYS A 53 -7.960 -2.825 -3.090 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -10.786 -1.917 -3.594 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -10.269 -3.135 -2.445 1.00 0.00 H new ATOM 803 N CYS A 54 -8.652 -4.801 -4.455 1.00 0.00 N ATOM 804 CA CYS A 54 -8.841 -5.933 -5.346 1.00 0.00 C ATOM 805 C CYS A 54 -9.088 -7.179 -4.493 1.00 0.00 C ATOM 806 O CYS A 54 -8.802 -7.184 -3.297 1.00 0.00 O ATOM 807 CB CYS A 54 -7.650 -6.115 -6.290 1.00 0.00 C ATOM 808 SG CYS A 54 -6.016 -5.776 -5.538 1.00 0.00 S ATOM 0 H CYS A 54 -8.254 -5.035 -3.546 1.00 0.00 H new ATOM 0 HA CYS A 54 -9.705 -5.755 -5.987 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -7.656 -7.138 -6.667 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -7.782 -5.458 -7.150 1.00 0.00 H new ATOM 813 N ARG A 55 -9.617 -8.206 -5.142 1.00 0.00 N ATOM 814 CA ARG A 55 -9.906 -9.455 -4.458 1.00 0.00 C ATOM 815 C ARG A 55 -8.977 -10.562 -4.960 1.00 0.00 C ATOM 816 O ARG A 55 -9.424 -11.673 -5.240 1.00 0.00 O ATOM 817 CB ARG A 55 -11.360 -9.880 -4.679 1.00 0.00 C ATOM 818 CG ARG A 55 -12.327 -8.844 -4.103 1.00 0.00 C ATOM 819 CD ARG A 55 -13.629 -8.804 -4.906 1.00 0.00 C ATOM 820 NE ARG A 55 -13.463 -7.944 -6.098 1.00 0.00 N ATOM 821 CZ ARG A 55 -14.368 -7.838 -7.081 1.00 0.00 C ATOM 822 NH1 ARG A 55 -15.509 -8.538 -7.019 1.00 0.00 N ATOM 823 NH2 ARG A 55 -14.132 -7.033 -8.125 1.00 0.00 N ATOM 0 H ARG A 55 -9.853 -8.199 -6.134 1.00 0.00 H new ATOM 0 HA ARG A 55 -9.744 -9.295 -3.392 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -11.548 -10.005 -5.745 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -11.535 -10.848 -4.209 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -12.545 -9.083 -3.062 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -11.859 -7.860 -4.113 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -13.909 -9.812 -5.211 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -14.438 -8.424 -4.283 1.00 0.00 H new ATOM 0 HE ARG A 55 -12.606 -7.397 -6.177 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -15.689 -9.151 -6.224 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -16.198 -8.458 -7.767 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -13.263 -6.500 -8.172 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -14.821 -6.953 -8.873 1.00 0.00 H new ATOM 837 N THR A 56 -7.700 -10.220 -5.057 1.00 0.00 N ATOM 838 CA THR A 56 -6.704 -11.171 -5.519 1.00 0.00 C ATOM 839 C THR A 56 -5.494 -11.172 -4.584 1.00 0.00 C ATOM 840 O THR A 56 -5.110 -10.129 -4.058 1.00 0.00 O ATOM 841 CB THR A 56 -6.353 -10.822 -6.967 1.00 0.00 C ATOM 842 OG1 THR A 56 -6.440 -9.400 -7.012 1.00 0.00 O ATOM 843 CG2 THR A 56 -7.420 -11.292 -7.958 1.00 0.00 C ATOM 0 H THR A 56 -7.333 -9.297 -4.823 1.00 0.00 H new ATOM 0 HA THR A 56 -7.091 -12.190 -5.500 1.00 0.00 H new ATOM 0 HB THR A 56 -5.394 -11.271 -7.226 1.00 0.00 H new ATOM 0 HG1 THR A 56 -6.226 -9.088 -7.916 1.00 0.00 H new ATOM 0 HG21 THR A 56 -7.122 -11.019 -8.970 1.00 0.00 H new ATOM 0 HG22 THR A 56 -7.528 -12.375 -7.891 1.00 0.00 H new ATOM 0 HG23 THR A 56 -8.372 -10.817 -7.720 1.00 0.00 H new ATOM 851 N ASP A 57 -4.925 -12.356 -4.405 1.00 0.00 N ATOM 852 CA ASP A 57 -3.766 -12.507 -3.542 1.00 0.00 C ATOM 853 C ASP A 57 -2.613 -11.664 -4.092 1.00 0.00 C ATOM 854 O ASP A 57 -2.407 -11.603 -5.303 1.00 0.00 O ATOM 855 CB ASP A 57 -3.304 -13.964 -3.491 1.00 0.00 C ATOM 856 CG ASP A 57 -4.356 -14.960 -2.997 1.00 0.00 C ATOM 857 OD1 ASP A 57 -4.524 -15.042 -1.761 1.00 0.00 O ATOM 858 OD2 ASP A 57 -4.969 -15.616 -3.867 1.00 0.00 O ATOM 0 H ASP A 57 -5.246 -13.219 -4.843 1.00 0.00 H new ATOM 0 HA ASP A 57 -4.047 -12.182 -2.540 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -2.983 -14.263 -4.489 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -2.430 -14.030 -2.842 1.00 0.00 H new ATOM 863 N ARG A 58 -1.892 -11.036 -3.175 1.00 0.00 N ATOM 864 CA ARG A 58 -0.766 -10.200 -3.553 1.00 0.00 C ATOM 865 C ARG A 58 -1.116 -9.363 -4.785 1.00 0.00 C ATOM 866 O ARG A 58 -0.274 -9.153 -5.657 1.00 0.00 O ATOM 867 CB ARG A 58 0.472 -11.047 -3.856 1.00 0.00 C ATOM 868 CG ARG A 58 0.585 -12.220 -2.880 1.00 0.00 C ATOM 869 CD ARG A 58 2.017 -12.757 -2.832 1.00 0.00 C ATOM 870 NE ARG A 58 2.222 -13.542 -1.594 1.00 0.00 N ATOM 871 CZ ARG A 58 3.261 -14.363 -1.388 1.00 0.00 C ATOM 872 NH1 ARG A 58 4.196 -14.511 -2.337 1.00 0.00 N ATOM 873 NH2 ARG A 58 3.365 -15.035 -0.234 1.00 0.00 N ATOM 0 H ARG A 58 -2.066 -11.089 -2.171 1.00 0.00 H new ATOM 0 HA ARG A 58 -0.545 -9.542 -2.713 1.00 0.00 H new ATOM 0 HB2 ARG A 58 0.419 -11.423 -4.878 1.00 0.00 H new ATOM 0 HB3 ARG A 58 1.366 -10.427 -3.791 1.00 0.00 H new ATOM 0 HG2 ARG A 58 0.279 -11.900 -1.884 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -0.096 -13.016 -3.182 1.00 0.00 H new ATOM 0 HD2 ARG A 58 2.209 -13.381 -3.704 1.00 0.00 H new ATOM 0 HD3 ARG A 58 2.726 -11.930 -2.869 1.00 0.00 H new ATOM 0 HE ARG A 58 1.529 -13.452 -0.851 1.00 0.00 H new ATOM 0 HH11 ARG A 58 4.117 -13.999 -3.216 1.00 0.00 H new ATOM 0 HH12 ARG A 58 4.987 -15.136 -2.181 1.00 0.00 H new ATOM 0 HH21 ARG A 58 2.653 -14.922 0.488 1.00 0.00 H new ATOM 0 HH22 ARG A 58 4.156 -15.660 -0.077 1.00 0.00 H new ATOM 887 N CYS A 59 -2.359 -8.907 -4.817 1.00 0.00 N ATOM 888 CA CYS A 59 -2.831 -8.097 -5.928 1.00 0.00 C ATOM 889 C CYS A 59 -2.494 -6.634 -5.633 1.00 0.00 C ATOM 890 O CYS A 59 -2.397 -5.819 -6.549 1.00 0.00 O ATOM 891 CB CYS A 59 -4.327 -8.299 -6.180 1.00 0.00 C ATOM 892 SG CYS A 59 -5.424 -7.564 -4.914 1.00 0.00 S ATOM 0 H CYS A 59 -3.054 -9.083 -4.092 1.00 0.00 H new ATOM 0 HA CYS A 59 -2.330 -8.406 -6.845 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -4.579 -7.872 -7.151 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -4.530 -9.368 -6.240 1.00 0.00 H new ATOM 897 N ASN A 60 -2.326 -6.346 -4.350 1.00 0.00 N ATOM 898 CA ASN A 60 -2.003 -4.996 -3.923 1.00 0.00 C ATOM 899 C ASN A 60 -0.487 -4.865 -3.764 1.00 0.00 C ATOM 900 O ASN A 60 -0.007 -4.355 -2.753 1.00 0.00 O ATOM 901 CB ASN A 60 -2.649 -4.675 -2.574 1.00 0.00 C ATOM 902 CG ASN A 60 -2.033 -5.520 -1.457 1.00 0.00 C ATOM 903 OD1 ASN A 60 -1.721 -6.687 -1.625 1.00 0.00 O ATOM 904 ND2 ASN A 60 -1.876 -4.867 -0.309 1.00 0.00 N ATOM 0 H ASN A 60 -2.408 -7.025 -3.593 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.380 -4.305 -4.677 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -2.520 -3.617 -2.348 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.722 -4.861 -2.627 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -1.473 -5.344 0.498 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -2.158 -3.890 -0.235 1.00 0.00 H new ATOM 911 N ASN A 61 0.225 -5.335 -4.778 1.00 0.00 N ATOM 912 CA ASN A 61 1.677 -5.277 -4.763 1.00 0.00 C ATOM 913 C ASN A 61 2.125 -3.814 -4.782 1.00 0.00 C ATOM 914 O ASN A 61 3.096 -3.509 -4.057 1.00 0.00 O ATOM 915 CB ASN A 61 2.268 -5.968 -5.994 1.00 0.00 C ATOM 916 CG ASN A 61 1.482 -7.234 -6.342 1.00 0.00 C ATOM 917 OD1 ASN A 61 0.383 -7.188 -6.869 1.00 0.00 O ATOM 918 ND2 ASN A 61 2.106 -8.364 -6.020 1.00 0.00 N ATOM 919 OXT ASN A 61 1.486 -3.034 -5.521 1.00 0.00 O ATOM 0 H ASN A 61 -0.176 -5.758 -5.615 1.00 0.00 H new ATOM 0 HA ASN A 61 2.026 -5.783 -3.863 1.00 0.00 H new ATOM 0 HB2 ASN A 61 2.255 -5.283 -6.842 1.00 0.00 H new ATOM 0 HB3 ASN A 61 3.311 -6.223 -5.807 1.00 0.00 H new ATOM 0 HD21 ASN A 61 1.665 -9.263 -6.213 1.00 0.00 H new ATOM 0 HD22 ASN A 61 3.026 -8.331 -5.580 1.00 0.00 H new TER 926 ASN A 61