USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 685 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 52 GLN : amide:sc= -3.58 K(o=-5.1,f=-5.8!) USER MOD Set 1.2: A 56 THR OG1 : rot 180:sc= -0.449 USER MOD Set 1.3: A 107 MET CE :methyl 152:sc= -1.12 (180deg=-2.34!) USER MOD Set 2.1: A 106 MET CE :methyl -164:sc= -1.15 (180deg=-0.102) USER MOD Set 2.2: A 114 ASN : amide:sc= -0.745 K(o=-1.9,f=-1.1) USER MOD Single : A 7 THR OG1 : rot -45:sc= 0.0854 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -2 K(o=-2,f=-0.55) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=-0.093) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0108) USER MOD Single : A 28 GLN : amide:sc= -0.192 X(o=-0.19,f=-0.024) USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 45 SER OG : rot -134:sc= 0.67 USER MOD Single : A 47 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -162:sc= -0.0161 (180deg=-0.177) USER MOD Single : A 58 HIS : no HE2:sc= -2.16 K(o=-2.2,f=-5.1!) USER MOD Single : A 64 SER OG : rot 180:sc= -0.208 USER MOD Single : A 70 ASN : amide:sc= -0.0801 K(o=-0.08,f=-0.62) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HD1:sc= 0.223 K(o=0.22,f=-1.6!) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= -1.08 USER MOD Single : A 89 ASN : amide:sc= -2.42 K(o=-2.4,f=-1.4) USER MOD Single : A 104 CYS SG : rot 13:sc= 0.102 USER MOD ----------------------------------------------------------------- ATOM 81 N THR A 7 1.496 -18.581 -1.032 1.00 0.00 N ATOM 82 CA THR A 7 0.411 -17.739 -0.544 1.00 0.00 C ATOM 83 C THR A 7 0.091 -16.629 -1.540 1.00 0.00 C ATOM 84 O THR A 7 -0.750 -15.770 -1.277 1.00 0.00 O ATOM 85 CB THR A 7 0.779 -17.130 0.813 1.00 0.00 C ATOM 86 OG1 THR A 7 -0.384 -16.726 1.513 1.00 0.00 O ATOM 87 CG2 THR A 7 1.692 -15.925 0.705 1.00 0.00 C ATOM 0 HA THR A 7 -0.474 -18.364 -0.427 1.00 0.00 H new ATOM 0 HB THR A 7 1.309 -17.919 1.347 1.00 0.00 H new ATOM 0 HG1 THR A 7 -0.984 -16.249 0.903 1.00 0.00 H new ATOM 0 HG21 THR A 7 1.912 -15.545 1.703 1.00 0.00 H new ATOM 0 HG22 THR A 7 2.621 -16.215 0.214 1.00 0.00 H new ATOM 0 HG23 THR A 7 1.201 -15.147 0.120 1.00 0.00 H new ATOM 95 N CYS A 8 0.772 -16.649 -2.682 1.00 0.00 N ATOM 96 CA CYS A 8 0.560 -15.636 -3.708 1.00 0.00 C ATOM 97 C CYS A 8 0.016 -16.253 -4.996 1.00 0.00 C ATOM 98 O CYS A 8 0.770 -16.528 -5.930 1.00 0.00 O ATOM 99 CB CYS A 8 1.865 -14.888 -3.987 1.00 0.00 C ATOM 100 SG CYS A 8 2.907 -14.642 -2.513 1.00 0.00 S ATOM 0 H CYS A 8 1.472 -17.352 -2.919 1.00 0.00 H new ATOM 0 HA CYS A 8 -0.183 -14.931 -3.337 1.00 0.00 H new ATOM 0 HB2 CYS A 8 2.435 -15.439 -4.735 1.00 0.00 H new ATOM 0 HB3 CYS A 8 1.629 -13.916 -4.419 1.00 0.00 H new ATOM 105 N PRO A 9 -1.309 -16.478 -5.061 1.00 0.00 N ATOM 106 CA PRO A 9 -1.954 -17.064 -6.235 1.00 0.00 C ATOM 107 C PRO A 9 -2.189 -16.046 -7.349 1.00 0.00 C ATOM 108 O PRO A 9 -1.625 -16.164 -8.438 1.00 0.00 O ATOM 109 CB PRO A 9 -3.283 -17.572 -5.680 1.00 0.00 C ATOM 110 CG PRO A 9 -3.600 -16.655 -4.546 1.00 0.00 C ATOM 111 CD PRO A 9 -2.281 -16.183 -3.989 1.00 0.00 C ATOM 0 HA PRO A 9 -1.340 -17.838 -6.695 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -4.064 -17.546 -6.440 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -3.201 -18.605 -5.342 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -4.200 -15.811 -4.887 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -4.181 -17.171 -3.781 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -2.305 -15.119 -3.755 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -2.028 -16.706 -3.067 1.00 0.00 H new ATOM 119 N GLU A 10 -3.028 -15.054 -7.074 1.00 0.00 N ATOM 120 CA GLU A 10 -3.343 -14.021 -8.055 1.00 0.00 C ATOM 121 C GLU A 10 -3.140 -12.624 -7.471 1.00 0.00 C ATOM 122 O GLU A 10 -2.109 -11.991 -7.701 1.00 0.00 O ATOM 123 CB GLU A 10 -4.784 -14.182 -8.544 1.00 0.00 C ATOM 124 CG GLU A 10 -5.227 -13.092 -9.504 1.00 0.00 C ATOM 125 CD GLU A 10 -5.977 -13.638 -10.702 1.00 0.00 C ATOM 126 OE1 GLU A 10 -7.078 -14.197 -10.508 1.00 0.00 O ATOM 127 OE2 GLU A 10 -5.465 -13.507 -11.833 1.00 0.00 O ATOM 0 H GLU A 10 -3.503 -14.943 -6.178 1.00 0.00 H new ATOM 0 HA GLU A 10 -2.663 -14.137 -8.899 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -4.886 -15.150 -9.035 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -5.452 -14.189 -7.683 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -5.863 -12.383 -8.974 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -4.353 -12.540 -9.849 1.00 0.00 H new ATOM 134 N LYS A 11 -4.132 -12.150 -6.722 1.00 0.00 N ATOM 135 CA LYS A 11 -4.070 -10.827 -6.107 1.00 0.00 C ATOM 136 C LYS A 11 -2.761 -10.637 -5.348 1.00 0.00 C ATOM 137 O LYS A 11 -2.162 -9.564 -5.380 1.00 0.00 O ATOM 138 CB LYS A 11 -5.254 -10.626 -5.160 1.00 0.00 C ATOM 139 CG LYS A 11 -6.525 -10.178 -5.863 1.00 0.00 C ATOM 140 CD LYS A 11 -7.673 -11.140 -5.605 1.00 0.00 C ATOM 141 CE LYS A 11 -8.986 -10.400 -5.404 1.00 0.00 C ATOM 142 NZ LYS A 11 -9.474 -10.506 -4.001 1.00 0.00 N ATOM 0 H LYS A 11 -4.991 -12.664 -6.526 1.00 0.00 H new ATOM 0 HA LYS A 11 -4.118 -10.084 -6.903 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -5.450 -11.560 -4.633 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -4.985 -9.885 -4.407 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -6.800 -9.181 -5.519 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -6.343 -10.106 -6.935 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -7.767 -11.829 -6.444 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -7.454 -11.741 -4.722 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -8.854 -9.350 -5.664 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -9.738 -10.804 -6.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -10.371 -9.988 -3.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -9.624 -11.507 -3.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -8.768 -10.097 -3.356 1.00 0.00 H new ATOM 156 N TRP A 12 -2.324 -11.690 -4.670 1.00 0.00 N ATOM 157 CA TRP A 12 -1.088 -11.656 -3.906 1.00 0.00 C ATOM 158 C TRP A 12 0.119 -11.638 -4.840 1.00 0.00 C ATOM 159 O TRP A 12 0.096 -12.252 -5.906 1.00 0.00 O ATOM 160 CB TRP A 12 -1.004 -12.863 -2.972 1.00 0.00 C ATOM 161 CG TRP A 12 -2.006 -12.839 -1.858 1.00 0.00 C ATOM 162 CD1 TRP A 12 -3.364 -12.750 -1.974 1.00 0.00 C ATOM 163 CD2 TRP A 12 -1.726 -12.914 -0.456 1.00 0.00 C ATOM 164 NE1 TRP A 12 -3.945 -12.762 -0.729 1.00 0.00 N ATOM 165 CE2 TRP A 12 -2.961 -12.863 0.219 1.00 0.00 C ATOM 166 CE3 TRP A 12 -0.552 -13.019 0.295 1.00 0.00 C ATOM 167 CZ2 TRP A 12 -3.053 -12.912 1.608 1.00 0.00 C ATOM 168 CZ3 TRP A 12 -0.645 -13.069 1.673 1.00 0.00 C ATOM 169 CH2 TRP A 12 -1.887 -13.016 2.317 1.00 0.00 C ATOM 0 H TRP A 12 -2.813 -12.584 -4.635 1.00 0.00 H new ATOM 0 HA TRP A 12 -1.083 -10.745 -3.307 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -1.146 -13.772 -3.556 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -0.002 -12.911 -2.546 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -3.902 -12.680 -2.908 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -4.946 -12.705 -0.541 1.00 0.00 H new ATOM 0 HE3 TRP A 12 0.411 -13.060 -0.193 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -4.010 -12.869 2.107 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 0.256 -13.150 2.263 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -1.926 -13.058 3.395 1.00 0.00 H new ATOM 180 N ILE A 13 1.171 -10.934 -4.435 1.00 0.00 N ATOM 181 CA ILE A 13 2.385 -10.839 -5.241 1.00 0.00 C ATOM 182 C ILE A 13 3.639 -11.001 -4.385 1.00 0.00 C ATOM 183 O ILE A 13 3.824 -10.286 -3.404 1.00 0.00 O ATOM 184 CB ILE A 13 2.467 -9.492 -5.985 1.00 0.00 C ATOM 185 CG1 ILE A 13 1.116 -8.758 -5.945 1.00 0.00 C ATOM 186 CG2 ILE A 13 2.924 -9.713 -7.415 1.00 0.00 C ATOM 187 CD1 ILE A 13 0.195 -9.083 -7.107 1.00 0.00 C ATOM 0 H ILE A 13 1.208 -10.421 -3.554 1.00 0.00 H new ATOM 0 HA ILE A 13 2.335 -11.650 -5.968 1.00 0.00 H new ATOM 0 HB ILE A 13 3.200 -8.862 -5.481 1.00 0.00 H new ATOM 0 HG12 ILE A 13 0.608 -9.007 -5.013 1.00 0.00 H new ATOM 0 HG13 ILE A 13 1.300 -7.684 -5.931 1.00 0.00 H new ATOM 0 HG21 ILE A 13 2.979 -8.755 -7.932 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.908 -10.181 -7.414 1.00 0.00 H new ATOM 0 HG23 ILE A 13 2.214 -10.362 -7.928 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -0.735 -8.524 -7.002 1.00 0.00 H new ATOM 0 HD12 ILE A 13 0.680 -8.808 -8.044 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -0.022 -10.151 -7.111 1.00 0.00 H new ATOM 199 N ASN A 14 4.504 -11.937 -4.770 1.00 0.00 N ATOM 200 CA ASN A 14 5.745 -12.191 -4.038 1.00 0.00 C ATOM 201 C ASN A 14 6.957 -11.666 -4.801 1.00 0.00 C ATOM 202 O ASN A 14 6.939 -11.576 -6.029 1.00 0.00 O ATOM 203 CB ASN A 14 5.908 -13.685 -3.762 1.00 0.00 C ATOM 204 CG ASN A 14 7.260 -14.020 -3.161 1.00 0.00 C ATOM 205 OD1 ASN A 14 8.129 -14.577 -3.832 1.00 0.00 O ATOM 206 ND2 ASN A 14 7.442 -13.683 -1.890 1.00 0.00 N ATOM 0 H ASN A 14 4.369 -12.534 -5.586 1.00 0.00 H new ATOM 0 HA ASN A 14 5.684 -11.659 -3.089 1.00 0.00 H new ATOM 0 HB2 ASN A 14 5.121 -14.014 -3.084 1.00 0.00 H new ATOM 0 HB3 ASN A 14 5.780 -14.239 -4.692 1.00 0.00 H new ATOM 0 HD21 ASN A 14 8.330 -13.884 -1.431 1.00 0.00 H new ATOM 0 HD22 ASN A 14 6.693 -13.223 -1.372 1.00 0.00 H new ATOM 213 N PHE A 15 8.005 -11.311 -4.061 1.00 0.00 N ATOM 214 CA PHE A 15 9.224 -10.784 -4.662 1.00 0.00 C ATOM 215 C PHE A 15 10.460 -11.502 -4.117 1.00 0.00 C ATOM 216 O PHE A 15 10.518 -12.732 -4.115 1.00 0.00 O ATOM 217 CB PHE A 15 9.328 -9.279 -4.405 1.00 0.00 C ATOM 218 CG PHE A 15 8.016 -8.559 -4.523 1.00 0.00 C ATOM 219 CD1 PHE A 15 7.579 -8.080 -5.749 1.00 0.00 C ATOM 220 CD2 PHE A 15 7.220 -8.363 -3.408 1.00 0.00 C ATOM 221 CE1 PHE A 15 6.371 -7.418 -5.857 1.00 0.00 C ATOM 222 CE2 PHE A 15 6.011 -7.704 -3.510 1.00 0.00 C ATOM 223 CZ PHE A 15 5.585 -7.230 -4.736 1.00 0.00 C ATOM 0 H PHE A 15 8.033 -11.379 -3.044 1.00 0.00 H new ATOM 0 HA PHE A 15 9.178 -10.959 -5.737 1.00 0.00 H new ATOM 0 HB2 PHE A 15 9.734 -9.116 -3.407 1.00 0.00 H new ATOM 0 HB3 PHE A 15 10.036 -8.846 -5.112 1.00 0.00 H new ATOM 0 HD1 PHE A 15 8.189 -8.226 -6.628 1.00 0.00 H new ATOM 0 HD2 PHE A 15 7.548 -8.730 -2.447 1.00 0.00 H new ATOM 0 HE1 PHE A 15 6.041 -7.048 -6.817 1.00 0.00 H new ATOM 0 HE2 PHE A 15 5.399 -7.559 -2.632 1.00 0.00 H new ATOM 0 HZ PHE A 15 4.640 -6.714 -4.818 1.00 0.00 H new ATOM 233 N GLN A 16 11.446 -10.729 -3.658 1.00 0.00 N ATOM 234 CA GLN A 16 12.676 -11.293 -3.114 1.00 0.00 C ATOM 235 C GLN A 16 12.371 -12.373 -2.083 1.00 0.00 C ATOM 236 O GLN A 16 12.972 -13.448 -2.102 1.00 0.00 O ATOM 237 CB GLN A 16 13.530 -10.193 -2.481 1.00 0.00 C ATOM 238 CG GLN A 16 13.781 -9.011 -3.404 1.00 0.00 C ATOM 239 CD GLN A 16 15.132 -9.085 -4.088 1.00 0.00 C ATOM 240 OE1 GLN A 16 16.171 -9.161 -3.432 1.00 0.00 O ATOM 241 NE2 GLN A 16 15.125 -9.062 -5.416 1.00 0.00 N ATOM 0 H GLN A 16 11.414 -9.710 -3.654 1.00 0.00 H new ATOM 0 HA GLN A 16 13.231 -11.747 -3.935 1.00 0.00 H new ATOM 0 HB2 GLN A 16 13.038 -9.838 -1.575 1.00 0.00 H new ATOM 0 HB3 GLN A 16 14.488 -10.617 -2.178 1.00 0.00 H new ATOM 0 HG2 GLN A 16 12.996 -8.971 -4.160 1.00 0.00 H new ATOM 0 HG3 GLN A 16 13.718 -8.086 -2.830 1.00 0.00 H new ATOM 0 HE21 GLN A 16 14.241 -8.998 -5.920 1.00 0.00 H new ATOM 0 HE22 GLN A 16 16.004 -9.108 -5.932 1.00 0.00 H new ATOM 250 N ARG A 17 11.434 -12.085 -1.184 1.00 0.00 N ATOM 251 CA ARG A 17 11.054 -13.041 -0.152 1.00 0.00 C ATOM 252 C ARG A 17 9.747 -12.641 0.523 1.00 0.00 C ATOM 253 O ARG A 17 9.249 -13.352 1.397 1.00 0.00 O ATOM 254 CB ARG A 17 12.164 -13.167 0.893 1.00 0.00 C ATOM 255 CG ARG A 17 12.562 -11.842 1.521 1.00 0.00 C ATOM 256 CD ARG A 17 13.879 -11.332 0.960 1.00 0.00 C ATOM 257 NE ARG A 17 15.002 -11.631 1.844 1.00 0.00 N ATOM 258 CZ ARG A 17 15.579 -10.730 2.634 1.00 0.00 C ATOM 259 NH1 ARG A 17 15.142 -9.478 2.648 1.00 0.00 N ATOM 260 NH2 ARG A 17 16.596 -11.081 3.410 1.00 0.00 N ATOM 0 H ARG A 17 10.927 -11.201 -1.150 1.00 0.00 H new ATOM 0 HA ARG A 17 10.905 -14.007 -0.635 1.00 0.00 H new ATOM 0 HB2 ARG A 17 11.836 -13.848 1.679 1.00 0.00 H new ATOM 0 HB3 ARG A 17 13.041 -13.616 0.427 1.00 0.00 H new ATOM 0 HG2 ARG A 17 11.780 -11.104 1.343 1.00 0.00 H new ATOM 0 HG3 ARG A 17 12.647 -11.961 2.601 1.00 0.00 H new ATOM 0 HD2 ARG A 17 14.056 -11.783 -0.016 1.00 0.00 H new ATOM 0 HD3 ARG A 17 13.815 -10.255 0.807 1.00 0.00 H new ATOM 0 HE ARG A 17 15.364 -12.584 1.856 1.00 0.00 H new ATOM 0 HH11 ARG A 17 14.361 -9.204 2.052 1.00 0.00 H new ATOM 0 HH12 ARG A 17 15.587 -8.789 3.255 1.00 0.00 H new ATOM 0 HH21 ARG A 17 16.936 -12.043 3.401 1.00 0.00 H new ATOM 0 HH22 ARG A 17 17.038 -10.389 4.016 1.00 0.00 H new ATOM 274 N LYS A 18 9.188 -11.508 0.111 1.00 0.00 N ATOM 275 CA LYS A 18 7.938 -11.032 0.675 1.00 0.00 C ATOM 276 C LYS A 18 6.836 -11.057 -0.360 1.00 0.00 C ATOM 277 O LYS A 18 7.083 -11.040 -1.561 1.00 0.00 O ATOM 278 CB LYS A 18 8.075 -9.615 1.215 1.00 0.00 C ATOM 279 CG LYS A 18 8.292 -8.576 0.133 1.00 0.00 C ATOM 280 CD LYS A 18 9.605 -7.840 0.330 1.00 0.00 C ATOM 281 CE LYS A 18 9.379 -6.421 0.826 1.00 0.00 C ATOM 282 NZ LYS A 18 10.561 -5.893 1.561 1.00 0.00 N ATOM 0 H LYS A 18 9.583 -10.905 -0.611 1.00 0.00 H new ATOM 0 HA LYS A 18 7.684 -11.702 1.496 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.177 -9.360 1.778 1.00 0.00 H new ATOM 0 HB3 LYS A 18 8.910 -9.580 1.915 1.00 0.00 H new ATOM 0 HG2 LYS A 18 8.286 -9.059 -0.844 1.00 0.00 H new ATOM 0 HG3 LYS A 18 7.468 -7.862 0.141 1.00 0.00 H new ATOM 0 HD2 LYS A 18 10.224 -8.382 1.045 1.00 0.00 H new ATOM 0 HD3 LYS A 18 10.154 -7.814 -0.611 1.00 0.00 H new ATOM 0 HE2 LYS A 18 9.159 -5.771 -0.021 1.00 0.00 H new ATOM 0 HE3 LYS A 18 8.507 -6.400 1.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 10.365 -4.923 1.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 10.756 -6.498 2.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 11.388 -5.889 0.931 1.00 0.00 H new ATOM 296 N CYS A 19 5.619 -11.081 0.131 1.00 0.00 N ATOM 297 CA CYS A 19 4.447 -11.092 -0.722 1.00 0.00 C ATOM 298 C CYS A 19 3.533 -9.931 -0.365 1.00 0.00 C ATOM 299 O CYS A 19 3.696 -9.303 0.680 1.00 0.00 O ATOM 300 CB CYS A 19 3.701 -12.424 -0.595 1.00 0.00 C ATOM 301 SG CYS A 19 2.500 -12.738 -1.931 1.00 0.00 S ATOM 0 H CYS A 19 5.411 -11.093 1.129 1.00 0.00 H new ATOM 0 HA CYS A 19 4.767 -10.980 -1.758 1.00 0.00 H new ATOM 0 HB2 CYS A 19 4.429 -13.235 -0.578 1.00 0.00 H new ATOM 0 HB3 CYS A 19 3.178 -12.445 0.361 1.00 0.00 H new ATOM 306 N TYR A 20 2.578 -9.651 -1.234 1.00 0.00 N ATOM 307 CA TYR A 20 1.639 -8.564 -1.012 1.00 0.00 C ATOM 308 C TYR A 20 0.219 -9.088 -1.072 1.00 0.00 C ATOM 309 O TYR A 20 -0.139 -9.822 -1.985 1.00 0.00 O ATOM 310 CB TYR A 20 1.798 -7.472 -2.081 1.00 0.00 C ATOM 311 CG TYR A 20 2.933 -6.495 -1.849 1.00 0.00 C ATOM 312 CD1 TYR A 20 3.958 -6.763 -0.951 1.00 0.00 C ATOM 313 CD2 TYR A 20 2.968 -5.291 -2.542 1.00 0.00 C ATOM 314 CE1 TYR A 20 4.985 -5.859 -0.751 1.00 0.00 C ATOM 315 CE2 TYR A 20 3.989 -4.383 -2.348 1.00 0.00 C ATOM 316 CZ TYR A 20 4.996 -4.672 -1.451 1.00 0.00 C ATOM 317 OH TYR A 20 6.016 -3.769 -1.254 1.00 0.00 O ATOM 0 H TYR A 20 2.431 -10.163 -2.104 1.00 0.00 H new ATOM 0 HA TYR A 20 1.847 -8.140 -0.029 1.00 0.00 H new ATOM 0 HB2 TYR A 20 1.947 -7.953 -3.048 1.00 0.00 H new ATOM 0 HB3 TYR A 20 0.866 -6.911 -2.144 1.00 0.00 H new ATOM 0 HD1 TYR A 20 3.953 -7.692 -0.400 1.00 0.00 H new ATOM 0 HD2 TYR A 20 2.181 -5.062 -3.246 1.00 0.00 H new ATOM 0 HE1 TYR A 20 5.775 -6.082 -0.049 1.00 0.00 H new ATOM 0 HE2 TYR A 20 3.999 -3.452 -2.895 1.00 0.00 H new ATOM 0 HH TYR A 20 5.874 -2.985 -1.825 1.00 0.00 H new ATOM 327 N TYR A 21 -0.593 -8.690 -0.109 1.00 0.00 N ATOM 328 CA TYR A 21 -1.978 -9.106 -0.078 1.00 0.00 C ATOM 329 C TYR A 21 -2.826 -7.995 -0.674 1.00 0.00 C ATOM 330 O TYR A 21 -2.972 -6.921 -0.093 1.00 0.00 O ATOM 331 CB TYR A 21 -2.404 -9.413 1.361 1.00 0.00 C ATOM 332 CG TYR A 21 -3.900 -9.410 1.580 1.00 0.00 C ATOM 333 CD1 TYR A 21 -4.760 -10.009 0.670 1.00 0.00 C ATOM 334 CD2 TYR A 21 -4.449 -8.808 2.703 1.00 0.00 C ATOM 335 CE1 TYR A 21 -6.125 -10.007 0.870 1.00 0.00 C ATOM 336 CE2 TYR A 21 -5.811 -8.802 2.915 1.00 0.00 C ATOM 337 CZ TYR A 21 -6.648 -9.403 1.995 1.00 0.00 C ATOM 338 OH TYR A 21 -8.009 -9.398 2.200 1.00 0.00 O ATOM 0 H TYR A 21 -0.315 -8.080 0.660 1.00 0.00 H new ATOM 0 HA TYR A 21 -2.113 -10.016 -0.663 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -2.009 -10.389 1.644 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -1.949 -8.679 2.027 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -4.353 -10.485 -0.210 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -3.798 -8.336 3.424 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -6.780 -10.475 0.150 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -6.221 -8.330 3.795 1.00 0.00 H new ATOM 0 HH TYR A 21 -8.212 -8.933 3.039 1.00 0.00 H new ATOM 348 N PHE A 22 -3.357 -8.260 -1.857 1.00 0.00 N ATOM 349 CA PHE A 22 -4.162 -7.290 -2.572 1.00 0.00 C ATOM 350 C PHE A 22 -5.650 -7.589 -2.412 1.00 0.00 C ATOM 351 O PHE A 22 -6.101 -8.703 -2.674 1.00 0.00 O ATOM 352 CB PHE A 22 -3.770 -7.320 -4.054 1.00 0.00 C ATOM 353 CG PHE A 22 -2.450 -6.655 -4.367 1.00 0.00 C ATOM 354 CD1 PHE A 22 -1.654 -6.132 -3.359 1.00 0.00 C ATOM 355 CD2 PHE A 22 -2.005 -6.559 -5.679 1.00 0.00 C ATOM 356 CE1 PHE A 22 -0.446 -5.526 -3.651 1.00 0.00 C ATOM 357 CE2 PHE A 22 -0.796 -5.955 -5.976 1.00 0.00 C ATOM 358 CZ PHE A 22 -0.015 -5.438 -4.960 1.00 0.00 C ATOM 0 H PHE A 22 -3.242 -9.149 -2.344 1.00 0.00 H new ATOM 0 HA PHE A 22 -3.978 -6.298 -2.159 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -3.727 -8.358 -4.384 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -4.554 -6.833 -4.634 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -1.982 -6.199 -2.332 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -2.610 -6.961 -6.478 1.00 0.00 H new ATOM 0 HE1 PHE A 22 0.161 -5.121 -2.855 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -0.463 -5.888 -7.001 1.00 0.00 H new ATOM 0 HZ PHE A 22 0.929 -4.967 -5.189 1.00 0.00 H new ATOM 368 N GLY A 23 -6.408 -6.586 -1.977 1.00 0.00 N ATOM 369 CA GLY A 23 -7.835 -6.765 -1.787 1.00 0.00 C ATOM 370 C GLY A 23 -8.623 -5.502 -2.070 1.00 0.00 C ATOM 371 O GLY A 23 -8.055 -4.484 -2.467 1.00 0.00 O ATOM 0 H GLY A 23 -6.059 -5.654 -1.753 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -8.188 -7.563 -2.440 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -8.024 -7.085 -0.762 1.00 0.00 H new ATOM 375 N LYS A 24 -9.934 -5.567 -1.864 1.00 0.00 N ATOM 376 CA LYS A 24 -10.804 -4.422 -2.097 1.00 0.00 C ATOM 377 C LYS A 24 -11.419 -3.933 -0.791 1.00 0.00 C ATOM 378 O LYS A 24 -11.462 -4.664 0.199 1.00 0.00 O ATOM 379 CB LYS A 24 -11.911 -4.784 -3.089 1.00 0.00 C ATOM 380 CG LYS A 24 -11.427 -4.897 -4.526 1.00 0.00 C ATOM 381 CD LYS A 24 -11.145 -6.342 -4.906 1.00 0.00 C ATOM 382 CE LYS A 24 -10.479 -6.438 -6.269 1.00 0.00 C ATOM 383 NZ LYS A 24 -11.382 -5.982 -7.362 1.00 0.00 N ATOM 0 H LYS A 24 -10.417 -6.403 -1.535 1.00 0.00 H new ATOM 0 HA LYS A 24 -10.198 -3.620 -2.518 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -12.360 -5.731 -2.790 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -12.695 -4.029 -3.037 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -12.179 -4.483 -5.198 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -10.522 -4.303 -4.654 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -10.503 -6.799 -4.153 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -12.078 -6.906 -4.915 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -9.571 -5.835 -6.273 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -10.177 -7.469 -6.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -10.903 -6.095 -8.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -12.252 -6.552 -7.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -11.623 -4.980 -7.218 1.00 0.00 H new ATOM 440 N GLN A 28 -10.629 4.628 4.839 1.00 0.00 N ATOM 441 CA GLN A 28 -9.512 5.567 4.815 1.00 0.00 C ATOM 442 C GLN A 28 -8.178 4.837 4.946 1.00 0.00 C ATOM 443 O GLN A 28 -8.133 3.608 4.995 1.00 0.00 O ATOM 444 CB GLN A 28 -9.657 6.592 5.941 1.00 0.00 C ATOM 445 CG GLN A 28 -10.849 7.521 5.767 1.00 0.00 C ATOM 446 CD GLN A 28 -12.052 7.084 6.580 1.00 0.00 C ATOM 447 OE1 GLN A 28 -13.137 6.875 6.038 1.00 0.00 O ATOM 448 NE2 GLN A 28 -11.864 6.943 7.886 1.00 0.00 N ATOM 0 HA GLN A 28 -9.528 6.084 3.855 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -9.753 6.065 6.891 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -8.747 7.189 5.998 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -10.564 8.531 6.061 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -11.123 7.561 4.713 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -10.947 7.127 8.292 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -12.637 6.650 8.484 1.00 0.00 H new ATOM 457 N TRP A 29 -7.093 5.606 4.999 1.00 0.00 N ATOM 458 CA TRP A 29 -5.754 5.040 5.122 1.00 0.00 C ATOM 459 C TRP A 29 -5.580 4.327 6.457 1.00 0.00 C ATOM 460 O TRP A 29 -5.095 3.197 6.510 1.00 0.00 O ATOM 461 CB TRP A 29 -4.699 6.138 4.977 1.00 0.00 C ATOM 462 CG TRP A 29 -3.305 5.662 5.254 1.00 0.00 C ATOM 463 CD1 TRP A 29 -2.435 5.112 4.359 1.00 0.00 C ATOM 464 CD2 TRP A 29 -2.623 5.689 6.513 1.00 0.00 C ATOM 465 NE1 TRP A 29 -1.254 4.795 4.984 1.00 0.00 N ATOM 466 CE2 TRP A 29 -1.344 5.140 6.307 1.00 0.00 C ATOM 467 CE3 TRP A 29 -2.970 6.125 7.795 1.00 0.00 C ATOM 468 CZ2 TRP A 29 -0.412 5.016 7.335 1.00 0.00 C ATOM 469 CZ3 TRP A 29 -2.045 6.001 8.815 1.00 0.00 C ATOM 470 CH2 TRP A 29 -0.779 5.451 8.579 1.00 0.00 C ATOM 0 H TRP A 29 -7.116 6.625 4.959 1.00 0.00 H new ATOM 0 HA TRP A 29 -5.624 4.310 4.324 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -4.743 6.543 3.966 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -4.939 6.955 5.658 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -2.644 4.950 3.312 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -0.441 4.371 4.536 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -3.944 6.551 7.985 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 0.565 4.592 7.156 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -2.303 6.334 9.810 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -0.078 5.369 9.396 1.00 0.00 H new ATOM 481 N VAL A 30 -5.978 4.996 7.530 1.00 0.00 N ATOM 482 CA VAL A 30 -5.866 4.434 8.869 1.00 0.00 C ATOM 483 C VAL A 30 -6.565 3.084 8.954 1.00 0.00 C ATOM 484 O VAL A 30 -6.158 2.209 9.719 1.00 0.00 O ATOM 485 CB VAL A 30 -6.461 5.379 9.931 1.00 0.00 C ATOM 486 CG1 VAL A 30 -5.550 6.576 10.149 1.00 0.00 C ATOM 487 CG2 VAL A 30 -7.857 5.828 9.526 1.00 0.00 C ATOM 0 H VAL A 30 -6.383 5.932 7.499 1.00 0.00 H new ATOM 0 HA VAL A 30 -4.803 4.304 9.070 1.00 0.00 H new ATOM 0 HB VAL A 30 -6.540 4.835 10.872 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.986 7.233 10.902 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.573 6.233 10.489 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -5.437 7.123 9.213 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -8.260 6.494 10.288 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -7.808 6.355 8.573 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -8.505 4.957 9.426 1.00 0.00 H new ATOM 497 N HIS A 31 -7.619 2.919 8.167 1.00 0.00 N ATOM 498 CA HIS A 31 -8.366 1.672 8.157 1.00 0.00 C ATOM 499 C HIS A 31 -7.568 0.571 7.470 1.00 0.00 C ATOM 500 O HIS A 31 -7.685 -0.602 7.826 1.00 0.00 O ATOM 501 CB HIS A 31 -9.715 1.858 7.462 1.00 0.00 C ATOM 502 CG HIS A 31 -10.885 1.547 8.342 1.00 0.00 C ATOM 503 ND1 HIS A 31 -11.719 0.469 8.132 1.00 0.00 N ATOM 504 CD2 HIS A 31 -11.360 2.179 9.442 1.00 0.00 C ATOM 505 CE1 HIS A 31 -12.655 0.451 9.064 1.00 0.00 C ATOM 506 NE2 HIS A 31 -12.459 1.477 9.871 1.00 0.00 N ATOM 0 H HIS A 31 -7.974 3.631 7.529 1.00 0.00 H new ATOM 0 HA HIS A 31 -8.545 1.377 9.191 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -9.796 2.887 7.112 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -9.753 1.218 6.581 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -10.951 3.069 9.897 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -13.446 -0.279 9.151 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -13.032 1.711 10.682 1.00 0.00 H new ATOM 515 N ALA A 32 -6.754 0.952 6.489 1.00 0.00 N ATOM 516 CA ALA A 32 -5.941 -0.016 5.766 1.00 0.00 C ATOM 517 C ALA A 32 -4.821 -0.547 6.651 1.00 0.00 C ATOM 518 O ALA A 32 -4.619 -1.755 6.750 1.00 0.00 O ATOM 519 CB ALA A 32 -5.367 0.611 4.506 1.00 0.00 C ATOM 0 H ALA A 32 -6.642 1.917 6.180 1.00 0.00 H new ATOM 0 HA ALA A 32 -6.578 -0.853 5.480 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.762 -0.125 3.977 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -6.181 0.943 3.861 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.746 1.465 4.775 1.00 0.00 H new ATOM 525 N ARG A 33 -4.107 0.363 7.300 1.00 0.00 N ATOM 526 CA ARG A 33 -3.015 -0.017 8.185 1.00 0.00 C ATOM 527 C ARG A 33 -3.522 -0.889 9.327 1.00 0.00 C ATOM 528 O ARG A 33 -2.867 -1.853 9.723 1.00 0.00 O ATOM 529 CB ARG A 33 -2.315 1.224 8.746 1.00 0.00 C ATOM 530 CG ARG A 33 -3.253 2.197 9.437 1.00 0.00 C ATOM 531 CD ARG A 33 -2.868 2.402 10.894 1.00 0.00 C ATOM 532 NE ARG A 33 -3.207 3.743 11.366 1.00 0.00 N ATOM 533 CZ ARG A 33 -2.747 4.264 12.499 1.00 0.00 C ATOM 534 NH1 ARG A 33 -1.932 3.561 13.274 1.00 0.00 N ATOM 535 NH2 ARG A 33 -3.103 5.490 12.858 1.00 0.00 N ATOM 0 H ARG A 33 -4.264 1.368 7.230 1.00 0.00 H new ATOM 0 HA ARG A 33 -2.296 -0.591 7.601 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -1.548 0.908 9.454 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -1.805 1.741 7.933 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -3.234 3.154 8.916 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -4.275 1.823 9.379 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -3.376 1.661 11.511 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -1.797 2.236 11.013 1.00 0.00 H new ATOM 0 HE ARG A 33 -3.832 4.311 10.794 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -1.656 2.618 13.001 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -1.581 3.964 14.143 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -3.730 6.033 12.265 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -2.750 5.890 13.728 1.00 0.00 H new ATOM 549 N TYR A 34 -4.692 -0.543 9.853 1.00 0.00 N ATOM 550 CA TYR A 34 -5.287 -1.294 10.951 1.00 0.00 C ATOM 551 C TYR A 34 -5.811 -2.643 10.472 1.00 0.00 C ATOM 552 O TYR A 34 -5.805 -3.621 11.219 1.00 0.00 O ATOM 553 CB TYR A 34 -6.421 -0.490 11.589 1.00 0.00 C ATOM 554 CG TYR A 34 -6.281 -0.327 13.086 1.00 0.00 C ATOM 555 CD1 TYR A 34 -6.607 -1.365 13.951 1.00 0.00 C ATOM 556 CD2 TYR A 34 -5.821 0.864 13.634 1.00 0.00 C ATOM 557 CE1 TYR A 34 -6.480 -1.219 15.320 1.00 0.00 C ATOM 558 CE2 TYR A 34 -5.691 1.017 15.001 1.00 0.00 C ATOM 559 CZ TYR A 34 -6.021 -0.027 15.839 1.00 0.00 C ATOM 560 OH TYR A 34 -5.894 0.121 17.201 1.00 0.00 O ATOM 0 H TYR A 34 -5.246 0.252 9.536 1.00 0.00 H new ATOM 0 HA TYR A 34 -4.512 -1.473 11.696 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -6.460 0.496 11.127 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -7.370 -0.981 11.373 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -6.965 -2.300 13.547 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -5.561 1.684 12.981 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -6.739 -2.034 15.979 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -5.333 1.950 15.411 1.00 0.00 H new ATOM 0 HH TYR A 34 -5.557 1.019 17.402 1.00 0.00 H new ATOM 570 N ALA A 35 -6.264 -2.688 9.225 1.00 0.00 N ATOM 571 CA ALA A 35 -6.794 -3.918 8.652 1.00 0.00 C ATOM 572 C ALA A 35 -5.695 -4.949 8.442 1.00 0.00 C ATOM 573 O ALA A 35 -5.882 -6.135 8.715 1.00 0.00 O ATOM 574 CB ALA A 35 -7.508 -3.629 7.340 1.00 0.00 C ATOM 0 H ALA A 35 -6.275 -1.888 8.592 1.00 0.00 H new ATOM 0 HA ALA A 35 -7.512 -4.333 9.359 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -7.898 -4.559 6.925 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -8.332 -2.938 7.519 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -6.807 -3.183 6.635 1.00 0.00 H new ATOM 580 N CYS A 36 -4.546 -4.490 7.963 1.00 0.00 N ATOM 581 CA CYS A 36 -3.417 -5.376 7.726 1.00 0.00 C ATOM 582 C CYS A 36 -2.727 -5.716 9.041 1.00 0.00 C ATOM 583 O CYS A 36 -2.096 -6.764 9.175 1.00 0.00 O ATOM 584 CB CYS A 36 -2.421 -4.731 6.761 1.00 0.00 C ATOM 585 SG CYS A 36 -3.198 -3.802 5.398 1.00 0.00 S ATOM 0 H CYS A 36 -4.373 -3.512 7.732 1.00 0.00 H new ATOM 0 HA CYS A 36 -3.791 -6.296 7.276 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -1.773 -4.058 7.322 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -1.784 -5.509 6.339 1.00 0.00 H new ATOM 590 N ASP A 37 -2.857 -4.816 10.011 1.00 0.00 N ATOM 591 CA ASP A 37 -2.252 -5.011 11.324 1.00 0.00 C ATOM 592 C ASP A 37 -3.031 -6.039 12.137 1.00 0.00 C ATOM 593 O ASP A 37 -2.501 -6.631 13.078 1.00 0.00 O ATOM 594 CB ASP A 37 -2.192 -3.684 12.084 1.00 0.00 C ATOM 595 CG ASP A 37 -0.776 -3.167 12.233 1.00 0.00 C ATOM 596 OD1 ASP A 37 -0.131 -2.895 11.199 1.00 0.00 O ATOM 597 OD2 ASP A 37 -0.310 -3.036 13.385 1.00 0.00 O ATOM 0 H ASP A 37 -3.376 -3.944 9.912 1.00 0.00 H new ATOM 0 HA ASP A 37 -1.239 -5.384 11.176 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -2.794 -2.941 11.560 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -2.634 -3.814 13.072 1.00 0.00 H new ATOM 602 N ASP A 38 -4.294 -6.239 11.773 1.00 0.00 N ATOM 603 CA ASP A 38 -5.154 -7.187 12.474 1.00 0.00 C ATOM 604 C ASP A 38 -4.566 -8.595 12.453 1.00 0.00 C ATOM 605 O ASP A 38 -4.639 -9.319 13.445 1.00 0.00 O ATOM 606 CB ASP A 38 -6.550 -7.197 11.849 1.00 0.00 C ATOM 607 CG ASP A 38 -7.519 -6.291 12.582 1.00 0.00 C ATOM 608 OD1 ASP A 38 -7.668 -6.452 13.811 1.00 0.00 O ATOM 609 OD2 ASP A 38 -8.127 -5.418 11.926 1.00 0.00 O ATOM 0 H ASP A 38 -4.745 -5.757 10.996 1.00 0.00 H new ATOM 0 HA ASP A 38 -5.225 -6.865 13.513 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -6.481 -6.883 10.807 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -6.938 -8.216 11.850 1.00 0.00 H new ATOM 614 N MET A 39 -3.987 -8.976 11.318 1.00 0.00 N ATOM 615 CA MET A 39 -3.388 -10.302 11.171 1.00 0.00 C ATOM 616 C MET A 39 -2.760 -10.483 9.792 1.00 0.00 C ATOM 617 O MET A 39 -1.828 -11.270 9.630 1.00 0.00 O ATOM 618 CB MET A 39 -4.442 -11.389 11.402 1.00 0.00 C ATOM 619 CG MET A 39 -5.674 -11.238 10.525 1.00 0.00 C ATOM 620 SD MET A 39 -6.977 -12.409 10.950 1.00 0.00 S ATOM 621 CE MET A 39 -6.766 -13.633 9.660 1.00 0.00 C ATOM 0 H MET A 39 -3.919 -8.388 10.487 1.00 0.00 H new ATOM 0 HA MET A 39 -2.601 -10.392 11.919 1.00 0.00 H new ATOM 0 HB2 MET A 39 -3.992 -12.365 11.217 1.00 0.00 H new ATOM 0 HB3 MET A 39 -4.747 -11.371 12.448 1.00 0.00 H new ATOM 0 HG2 MET A 39 -6.059 -10.223 10.618 1.00 0.00 H new ATOM 0 HG3 MET A 39 -5.392 -11.378 9.481 1.00 0.00 H new ATOM 0 HE1 MET A 39 -7.503 -14.426 9.787 1.00 0.00 H new ATOM 0 HE2 MET A 39 -6.903 -13.163 8.686 1.00 0.00 H new ATOM 0 HE3 MET A 39 -5.763 -14.056 9.720 1.00 0.00 H new ATOM 631 N GLU A 40 -3.284 -9.761 8.802 1.00 0.00 N ATOM 632 CA GLU A 40 -2.784 -9.849 7.433 1.00 0.00 C ATOM 633 C GLU A 40 -1.259 -9.760 7.388 1.00 0.00 C ATOM 634 O GLU A 40 -0.569 -10.777 7.478 1.00 0.00 O ATOM 635 CB GLU A 40 -3.404 -8.746 6.574 1.00 0.00 C ATOM 636 CG GLU A 40 -4.848 -9.023 6.187 1.00 0.00 C ATOM 637 CD GLU A 40 -5.708 -7.774 6.204 1.00 0.00 C ATOM 638 OE1 GLU A 40 -5.279 -6.751 5.630 1.00 0.00 O ATOM 639 OE2 GLU A 40 -6.809 -7.820 6.789 1.00 0.00 O ATOM 0 H GLU A 40 -4.057 -9.107 8.925 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.073 -10.820 7.032 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -3.356 -7.802 7.117 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -2.810 -8.623 5.668 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -4.875 -9.464 5.191 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -5.269 -9.758 6.873 1.00 0.00 H new ATOM 646 N GLY A 41 -0.734 -8.546 7.243 1.00 0.00 N ATOM 647 CA GLY A 41 0.709 -8.373 7.187 1.00 0.00 C ATOM 648 C GLY A 41 1.172 -7.029 7.714 1.00 0.00 C ATOM 649 O GLY A 41 1.364 -6.852 8.916 1.00 0.00 O ATOM 0 H GLY A 41 -1.276 -7.685 7.164 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.186 -9.166 7.764 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.042 -8.485 6.155 1.00 0.00 H new ATOM 653 N GLN A 42 1.378 -6.095 6.799 1.00 0.00 N ATOM 654 CA GLN A 42 1.853 -4.763 7.127 1.00 0.00 C ATOM 655 C GLN A 42 1.392 -3.817 6.046 1.00 0.00 C ATOM 656 O GLN A 42 1.036 -4.259 4.961 1.00 0.00 O ATOM 657 CB GLN A 42 3.379 -4.747 7.205 1.00 0.00 C ATOM 658 CG GLN A 42 3.973 -3.349 7.275 1.00 0.00 C ATOM 659 CD GLN A 42 5.487 -3.353 7.215 1.00 0.00 C ATOM 660 OE1 GLN A 42 6.155 -3.846 8.124 1.00 0.00 O ATOM 661 NE2 GLN A 42 6.037 -2.802 6.139 1.00 0.00 N ATOM 0 H GLN A 42 1.219 -6.242 5.802 1.00 0.00 H new ATOM 0 HA GLN A 42 1.456 -4.459 8.095 1.00 0.00 H new ATOM 0 HB2 GLN A 42 3.695 -5.311 8.083 1.00 0.00 H new ATOM 0 HB3 GLN A 42 3.784 -5.261 6.333 1.00 0.00 H new ATOM 0 HG2 GLN A 42 3.582 -2.751 6.451 1.00 0.00 H new ATOM 0 HG3 GLN A 42 3.651 -2.868 8.199 1.00 0.00 H new ATOM 0 HE21 GLN A 42 5.444 -2.405 5.410 1.00 0.00 H new ATOM 0 HE22 GLN A 42 7.052 -2.776 6.042 1.00 0.00 H new ATOM 670 N LEU A 43 1.395 -2.524 6.296 1.00 0.00 N ATOM 671 CA LEU A 43 0.973 -1.638 5.251 1.00 0.00 C ATOM 672 C LEU A 43 2.101 -1.600 4.234 1.00 0.00 C ATOM 673 O LEU A 43 3.210 -1.144 4.512 1.00 0.00 O ATOM 674 CB LEU A 43 0.688 -0.242 5.811 1.00 0.00 C ATOM 675 CG LEU A 43 -0.439 0.537 5.128 1.00 0.00 C ATOM 676 CD1 LEU A 43 -1.726 -0.266 5.120 1.00 0.00 C ATOM 677 CD2 LEU A 43 -0.651 1.871 5.822 1.00 0.00 C ATOM 0 H LEU A 43 1.673 -2.085 7.174 1.00 0.00 H new ATOM 0 HA LEU A 43 0.049 -1.984 4.789 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.446 -0.339 6.869 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.602 0.348 5.746 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.149 0.721 4.094 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.511 0.310 4.629 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.569 -1.200 4.580 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.024 -0.486 6.145 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.455 2.415 5.327 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.917 1.700 6.865 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.267 2.457 5.773 1.00 0.00 H new ATOM 689 N VAL A 44 1.783 -2.147 3.070 1.00 0.00 N ATOM 690 CA VAL A 44 2.703 -2.284 1.948 1.00 0.00 C ATOM 691 C VAL A 44 3.879 -1.322 1.991 1.00 0.00 C ATOM 692 O VAL A 44 5.019 -1.734 2.205 1.00 0.00 O ATOM 693 CB VAL A 44 1.950 -2.121 0.624 1.00 0.00 C ATOM 694 CG1 VAL A 44 1.699 -3.480 0.005 1.00 0.00 C ATOM 695 CG2 VAL A 44 0.638 -1.384 0.849 1.00 0.00 C ATOM 0 H VAL A 44 0.853 -2.518 2.874 1.00 0.00 H new ATOM 0 HA VAL A 44 3.123 -3.287 2.028 1.00 0.00 H new ATOM 0 HB VAL A 44 2.559 -1.531 -0.061 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.163 -3.358 -0.936 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.651 -3.976 -0.181 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.102 -4.085 0.687 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.114 -1.276 -0.101 1.00 0.00 H new ATOM 0 HG22 VAL A 44 0.017 -1.950 1.543 1.00 0.00 H new ATOM 0 HG23 VAL A 44 0.842 -0.398 1.266 1.00 0.00 H new ATOM 705 N SER A 45 3.598 -0.055 1.763 1.00 0.00 N ATOM 706 CA SER A 45 4.640 0.968 1.751 1.00 0.00 C ATOM 707 C SER A 45 5.596 0.717 0.592 1.00 0.00 C ATOM 708 O SER A 45 6.816 0.704 0.764 1.00 0.00 O ATOM 709 CB SER A 45 5.407 0.974 3.072 1.00 0.00 C ATOM 710 OG SER A 45 5.996 2.237 3.311 1.00 0.00 O ATOM 0 H SER A 45 2.658 0.297 1.583 1.00 0.00 H new ATOM 0 HA SER A 45 4.169 1.943 1.624 1.00 0.00 H new ATOM 0 HB2 SER A 45 4.731 0.723 3.890 1.00 0.00 H new ATOM 0 HB3 SER A 45 6.181 0.206 3.051 1.00 0.00 H new ATOM 0 HG SER A 45 6.926 2.116 3.594 1.00 0.00 H new ATOM 716 N ILE A 46 5.016 0.502 -0.581 1.00 0.00 N ATOM 717 CA ILE A 46 5.777 0.227 -1.797 1.00 0.00 C ATOM 718 C ILE A 46 6.995 1.134 -1.924 1.00 0.00 C ATOM 719 O ILE A 46 6.937 2.322 -1.604 1.00 0.00 O ATOM 720 CB ILE A 46 4.903 0.381 -3.061 1.00 0.00 C ATOM 721 CG1 ILE A 46 3.547 1.004 -2.716 1.00 0.00 C ATOM 722 CG2 ILE A 46 4.710 -0.969 -3.730 1.00 0.00 C ATOM 723 CD1 ILE A 46 2.670 1.250 -3.922 1.00 0.00 C ATOM 0 H ILE A 46 4.005 0.513 -0.719 1.00 0.00 H new ATOM 0 HA ILE A 46 6.114 -0.807 -1.716 1.00 0.00 H new ATOM 0 HB ILE A 46 5.416 1.049 -3.753 1.00 0.00 H new ATOM 0 HG12 ILE A 46 3.021 0.348 -2.022 1.00 0.00 H new ATOM 0 HG13 ILE A 46 3.712 1.949 -2.198 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.092 -0.849 -4.620 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.680 -1.376 -4.014 1.00 0.00 H new ATOM 0 HG23 ILE A 46 4.219 -1.652 -3.037 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.727 1.692 -3.602 1.00 0.00 H new ATOM 0 HD12 ILE A 46 3.176 1.931 -4.607 1.00 0.00 H new ATOM 0 HD13 ILE A 46 2.474 0.305 -4.428 1.00 0.00 H new ATOM 735 N HIS A 47 8.098 0.560 -2.394 1.00 0.00 N ATOM 736 CA HIS A 47 9.339 1.305 -2.569 1.00 0.00 C ATOM 737 C HIS A 47 9.983 0.983 -3.912 1.00 0.00 C ATOM 738 O HIS A 47 11.044 1.511 -4.246 1.00 0.00 O ATOM 739 CB HIS A 47 10.315 0.985 -1.435 1.00 0.00 C ATOM 740 CG HIS A 47 10.392 -0.474 -1.104 1.00 0.00 C ATOM 741 ND1 HIS A 47 11.232 -1.351 -1.758 1.00 0.00 N ATOM 742 CD2 HIS A 47 9.729 -1.209 -0.179 1.00 0.00 C ATOM 743 CE1 HIS A 47 11.081 -2.562 -1.250 1.00 0.00 C ATOM 744 NE2 HIS A 47 10.177 -2.502 -0.292 1.00 0.00 N ATOM 0 H HIS A 47 8.157 -0.423 -2.661 1.00 0.00 H new ATOM 0 HA HIS A 47 9.100 2.368 -2.546 1.00 0.00 H new ATOM 0 HB2 HIS A 47 11.308 1.339 -1.711 1.00 0.00 H new ATOM 0 HB3 HIS A 47 10.016 1.536 -0.543 1.00 0.00 H new ATOM 0 HD2 HIS A 47 8.987 -0.846 0.517 1.00 0.00 H new ATOM 0 HE1 HIS A 47 11.609 -3.450 -1.566 1.00 0.00 H new ATOM 0 HE2 HIS A 47 9.861 -3.290 0.274 1.00 0.00 H new ATOM 753 N SER A 48 9.335 0.115 -4.684 1.00 0.00 N ATOM 754 CA SER A 48 9.841 -0.272 -5.991 1.00 0.00 C ATOM 755 C SER A 48 8.846 0.108 -7.076 1.00 0.00 C ATOM 756 O SER A 48 7.688 -0.304 -7.030 1.00 0.00 O ATOM 757 CB SER A 48 10.113 -1.777 -6.034 1.00 0.00 C ATOM 758 OG SER A 48 11.264 -2.108 -5.277 1.00 0.00 O ATOM 0 H SER A 48 8.456 -0.333 -4.423 1.00 0.00 H new ATOM 0 HA SER A 48 10.776 0.258 -6.169 1.00 0.00 H new ATOM 0 HB2 SER A 48 9.250 -2.317 -5.645 1.00 0.00 H new ATOM 0 HB3 SER A 48 10.249 -2.096 -7.067 1.00 0.00 H new ATOM 0 HG SER A 48 11.416 -3.075 -5.319 1.00 0.00 H new ATOM 764 N PRO A 49 9.279 0.901 -8.070 1.00 0.00 N ATOM 765 CA PRO A 49 8.411 1.327 -9.165 1.00 0.00 C ATOM 766 C PRO A 49 7.606 0.164 -9.728 1.00 0.00 C ATOM 767 O PRO A 49 6.492 0.344 -10.218 1.00 0.00 O ATOM 768 CB PRO A 49 9.396 1.863 -10.202 1.00 0.00 C ATOM 769 CG PRO A 49 10.548 2.358 -9.398 1.00 0.00 C ATOM 770 CD PRO A 49 10.649 1.440 -8.207 1.00 0.00 C ATOM 0 HA PRO A 49 7.670 2.062 -8.853 1.00 0.00 H new ATOM 0 HB2 PRO A 49 9.704 1.083 -10.898 1.00 0.00 H new ATOM 0 HB3 PRO A 49 8.953 2.663 -10.795 1.00 0.00 H new ATOM 0 HG2 PRO A 49 11.468 2.341 -9.983 1.00 0.00 H new ATOM 0 HG3 PRO A 49 10.389 3.389 -9.083 1.00 0.00 H new ATOM 0 HD2 PRO A 49 11.378 0.647 -8.372 1.00 0.00 H new ATOM 0 HD3 PRO A 49 10.960 1.977 -7.311 1.00 0.00 H new ATOM 778 N GLU A 50 8.176 -1.034 -9.638 1.00 0.00 N ATOM 779 CA GLU A 50 7.513 -2.235 -10.122 1.00 0.00 C ATOM 780 C GLU A 50 6.378 -2.637 -9.195 1.00 0.00 C ATOM 781 O GLU A 50 5.280 -2.956 -9.645 1.00 0.00 O ATOM 782 CB GLU A 50 8.507 -3.388 -10.240 1.00 0.00 C ATOM 783 CG GLU A 50 7.858 -4.708 -10.606 1.00 0.00 C ATOM 784 CD GLU A 50 8.735 -5.901 -10.280 1.00 0.00 C ATOM 785 OE1 GLU A 50 8.681 -6.381 -9.129 1.00 0.00 O ATOM 786 OE2 GLU A 50 9.477 -6.355 -11.177 1.00 0.00 O ATOM 0 H GLU A 50 9.098 -1.196 -9.233 1.00 0.00 H new ATOM 0 HA GLU A 50 7.103 -2.014 -11.108 1.00 0.00 H new ATOM 0 HB2 GLU A 50 9.254 -3.138 -10.993 1.00 0.00 H new ATOM 0 HB3 GLU A 50 9.035 -3.501 -9.293 1.00 0.00 H new ATOM 0 HG2 GLU A 50 6.911 -4.802 -10.075 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.627 -4.712 -11.671 1.00 0.00 H new ATOM 793 N GLU A 51 6.659 -2.630 -7.898 1.00 0.00 N ATOM 794 CA GLU A 51 5.665 -3.004 -6.904 1.00 0.00 C ATOM 795 C GLU A 51 4.508 -2.013 -6.901 1.00 0.00 C ATOM 796 O GLU A 51 3.343 -2.408 -6.845 1.00 0.00 O ATOM 797 CB GLU A 51 6.306 -3.087 -5.519 1.00 0.00 C ATOM 798 CG GLU A 51 7.470 -4.062 -5.444 1.00 0.00 C ATOM 799 CD GLU A 51 8.058 -4.161 -4.050 1.00 0.00 C ATOM 800 OE1 GLU A 51 8.408 -3.108 -3.477 1.00 0.00 O ATOM 801 OE2 GLU A 51 8.169 -5.293 -3.532 1.00 0.00 O ATOM 0 H GLU A 51 7.566 -2.370 -7.512 1.00 0.00 H new ATOM 0 HA GLU A 51 5.270 -3.986 -7.163 1.00 0.00 H new ATOM 0 HB2 GLU A 51 6.654 -2.096 -5.229 1.00 0.00 H new ATOM 0 HB3 GLU A 51 5.548 -3.383 -4.794 1.00 0.00 H new ATOM 0 HG2 GLU A 51 7.134 -5.048 -5.764 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.247 -3.749 -6.141 1.00 0.00 H new ATOM 808 N GLN A 52 4.833 -0.727 -6.979 1.00 0.00 N ATOM 809 CA GLN A 52 3.812 0.314 -7.001 1.00 0.00 C ATOM 810 C GLN A 52 2.984 0.196 -8.275 1.00 0.00 C ATOM 811 O GLN A 52 1.763 0.327 -8.249 1.00 0.00 O ATOM 812 CB GLN A 52 4.451 1.706 -6.890 1.00 0.00 C ATOM 813 CG GLN A 52 4.718 2.381 -8.229 1.00 0.00 C ATOM 814 CD GLN A 52 3.695 3.453 -8.568 1.00 0.00 C ATOM 815 OE1 GLN A 52 3.968 4.352 -9.364 1.00 0.00 O ATOM 816 NE2 GLN A 52 2.511 3.366 -7.970 1.00 0.00 N ATOM 0 H GLN A 52 5.791 -0.381 -7.028 1.00 0.00 H new ATOM 0 HA GLN A 52 3.154 0.182 -6.142 1.00 0.00 H new ATOM 0 HB2 GLN A 52 3.798 2.347 -6.297 1.00 0.00 H new ATOM 0 HB3 GLN A 52 5.392 1.619 -6.346 1.00 0.00 H new ATOM 0 HG2 GLN A 52 5.712 2.827 -8.213 1.00 0.00 H new ATOM 0 HG3 GLN A 52 4.720 1.627 -9.016 1.00 0.00 H new ATOM 0 HE21 GLN A 52 2.324 2.605 -7.317 1.00 0.00 H new ATOM 0 HE22 GLN A 52 1.789 4.060 -8.165 1.00 0.00 H new ATOM 825 N ASP A 53 3.663 -0.081 -9.380 1.00 0.00 N ATOM 826 CA ASP A 53 3.009 -0.252 -10.666 1.00 0.00 C ATOM 827 C ASP A 53 2.168 -1.518 -10.647 1.00 0.00 C ATOM 828 O ASP A 53 1.118 -1.593 -11.281 1.00 0.00 O ATOM 829 CB ASP A 53 4.044 -0.324 -11.791 1.00 0.00 C ATOM 830 CG ASP A 53 3.433 -0.070 -13.155 1.00 0.00 C ATOM 831 OD1 ASP A 53 3.282 1.113 -13.526 1.00 0.00 O ATOM 832 OD2 ASP A 53 3.107 -1.054 -13.852 1.00 0.00 O ATOM 0 H ASP A 53 4.676 -0.193 -9.409 1.00 0.00 H new ATOM 0 HA ASP A 53 2.363 0.607 -10.849 1.00 0.00 H new ATOM 0 HB2 ASP A 53 4.830 0.408 -11.606 1.00 0.00 H new ATOM 0 HB3 ASP A 53 4.516 -1.306 -11.785 1.00 0.00 H new ATOM 837 N PHE A 54 2.662 -2.519 -9.929 1.00 0.00 N ATOM 838 CA PHE A 54 1.995 -3.802 -9.825 1.00 0.00 C ATOM 839 C PHE A 54 0.603 -3.658 -9.226 1.00 0.00 C ATOM 840 O PHE A 54 -0.380 -4.130 -9.796 1.00 0.00 O ATOM 841 CB PHE A 54 2.835 -4.722 -8.945 1.00 0.00 C ATOM 842 CG PHE A 54 3.336 -5.942 -9.653 1.00 0.00 C ATOM 843 CD1 PHE A 54 2.518 -7.045 -9.816 1.00 0.00 C ATOM 844 CD2 PHE A 54 4.626 -5.985 -10.154 1.00 0.00 C ATOM 845 CE1 PHE A 54 2.976 -8.172 -10.466 1.00 0.00 C ATOM 846 CE2 PHE A 54 5.092 -7.109 -10.807 1.00 0.00 C ATOM 847 CZ PHE A 54 4.266 -8.206 -10.964 1.00 0.00 C ATOM 0 H PHE A 54 3.535 -2.460 -9.405 1.00 0.00 H new ATOM 0 HA PHE A 54 1.888 -4.221 -10.826 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.687 -4.162 -8.559 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.240 -5.031 -8.086 1.00 0.00 H new ATOM 0 HD1 PHE A 54 1.510 -7.024 -9.430 1.00 0.00 H new ATOM 0 HD2 PHE A 54 5.275 -5.130 -10.033 1.00 0.00 H new ATOM 0 HE1 PHE A 54 2.328 -9.027 -10.586 1.00 0.00 H new ATOM 0 HE2 PHE A 54 6.100 -7.131 -11.194 1.00 0.00 H new ATOM 0 HZ PHE A 54 4.627 -9.087 -11.474 1.00 0.00 H new ATOM 857 N LEU A 55 0.523 -2.987 -8.084 1.00 0.00 N ATOM 858 CA LEU A 55 -0.755 -2.764 -7.427 1.00 0.00 C ATOM 859 C LEU A 55 -1.547 -1.706 -8.175 1.00 0.00 C ATOM 860 O LEU A 55 -2.772 -1.764 -8.249 1.00 0.00 O ATOM 861 CB LEU A 55 -0.557 -2.340 -5.978 1.00 0.00 C ATOM 862 CG LEU A 55 0.663 -1.469 -5.731 1.00 0.00 C ATOM 863 CD1 LEU A 55 0.268 -0.007 -5.761 1.00 0.00 C ATOM 864 CD2 LEU A 55 1.309 -1.833 -4.407 1.00 0.00 C ATOM 0 H LEU A 55 1.326 -2.590 -7.596 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.311 -3.702 -7.435 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.444 -1.800 -5.647 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.479 -3.234 -5.360 1.00 0.00 H new ATOM 0 HG LEU A 55 1.394 -1.643 -6.521 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.148 0.611 -5.583 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.155 0.236 -6.736 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.474 0.186 -4.986 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.182 -1.201 -4.242 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.593 -1.681 -3.599 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.616 -2.879 -4.427 1.00 0.00 H new ATOM 876 N THR A 56 -0.823 -0.738 -8.729 1.00 0.00 N ATOM 877 CA THR A 56 -1.435 0.343 -9.482 1.00 0.00 C ATOM 878 C THR A 56 -2.188 -0.234 -10.672 1.00 0.00 C ATOM 879 O THR A 56 -3.312 0.170 -10.970 1.00 0.00 O ATOM 880 CB THR A 56 -0.355 1.333 -9.939 1.00 0.00 C ATOM 881 OG1 THR A 56 -0.447 2.550 -9.221 1.00 0.00 O ATOM 882 CG2 THR A 56 -0.409 1.669 -11.412 1.00 0.00 C ATOM 0 H THR A 56 0.194 -0.684 -8.668 1.00 0.00 H new ATOM 0 HA THR A 56 -2.143 0.880 -8.851 1.00 0.00 H new ATOM 0 HB THR A 56 0.587 0.822 -9.741 1.00 0.00 H new ATOM 0 HG1 THR A 56 0.252 3.165 -9.528 1.00 0.00 H new ATOM 0 HG21 THR A 56 0.387 2.374 -11.654 1.00 0.00 H new ATOM 0 HG22 THR A 56 -0.278 0.759 -11.998 1.00 0.00 H new ATOM 0 HG23 THR A 56 -1.374 2.117 -11.648 1.00 0.00 H new ATOM 890 N LYS A 57 -1.565 -1.206 -11.327 1.00 0.00 N ATOM 891 CA LYS A 57 -2.172 -1.875 -12.460 1.00 0.00 C ATOM 892 C LYS A 57 -3.261 -2.805 -11.957 1.00 0.00 C ATOM 893 O LYS A 57 -4.299 -2.980 -12.597 1.00 0.00 O ATOM 894 CB LYS A 57 -1.122 -2.665 -13.247 1.00 0.00 C ATOM 895 CG LYS A 57 -1.379 -2.693 -14.745 1.00 0.00 C ATOM 896 CD LYS A 57 -0.220 -2.086 -15.520 1.00 0.00 C ATOM 897 CE LYS A 57 -0.398 -0.588 -15.705 1.00 0.00 C ATOM 898 NZ LYS A 57 -1.476 -0.272 -16.681 1.00 0.00 N ATOM 0 H LYS A 57 -0.634 -1.547 -11.087 1.00 0.00 H new ATOM 0 HA LYS A 57 -2.604 -1.131 -13.129 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -0.139 -2.230 -13.063 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -1.093 -3.688 -12.872 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -1.536 -3.722 -15.069 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.294 -2.145 -14.969 1.00 0.00 H new ATOM 0 HD2 LYS A 57 0.714 -2.280 -14.992 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -0.141 -2.567 -16.495 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -0.632 -0.129 -14.744 1.00 0.00 H new ATOM 0 HE3 LYS A 57 0.540 -0.151 -16.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -1.370 0.709 -17.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -1.409 -0.918 -17.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -2.403 -0.386 -16.223 1.00 0.00 H new ATOM 912 N HIS A 58 -3.016 -3.386 -10.784 1.00 0.00 N ATOM 913 CA HIS A 58 -3.973 -4.285 -10.160 1.00 0.00 C ATOM 914 C HIS A 58 -5.244 -3.525 -9.804 1.00 0.00 C ATOM 915 O HIS A 58 -6.343 -4.078 -9.844 1.00 0.00 O ATOM 916 CB HIS A 58 -3.370 -4.909 -8.902 1.00 0.00 C ATOM 917 CG HIS A 58 -3.818 -6.318 -8.661 1.00 0.00 C ATOM 918 ND1 HIS A 58 -3.175 -7.413 -9.199 1.00 0.00 N ATOM 919 CD2 HIS A 58 -4.850 -6.808 -7.936 1.00 0.00 C ATOM 920 CE1 HIS A 58 -3.792 -8.516 -8.815 1.00 0.00 C ATOM 921 NE2 HIS A 58 -4.812 -8.176 -8.048 1.00 0.00 N ATOM 0 H HIS A 58 -2.159 -3.247 -10.249 1.00 0.00 H new ATOM 0 HA HIS A 58 -4.218 -5.080 -10.864 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -2.283 -4.890 -8.982 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -3.637 -4.299 -8.039 1.00 0.00 H new ATOM 0 HD1 HIS A 58 -2.351 -7.377 -9.800 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -5.569 -6.231 -7.374 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -3.510 -9.524 -9.083 1.00 0.00 H new ATOM 983 N GLY A 63 -7.960 2.798 -6.156 1.00 0.00 N ATOM 984 CA GLY A 63 -6.571 2.842 -5.731 1.00 0.00 C ATOM 985 C GLY A 63 -6.290 1.934 -4.550 1.00 0.00 C ATOM 986 O GLY A 63 -7.203 1.329 -3.993 1.00 0.00 O ATOM 0 HA2 GLY A 63 -5.931 2.554 -6.565 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -6.309 3.866 -5.467 1.00 0.00 H new ATOM 990 N SER A 64 -5.020 1.847 -4.168 1.00 0.00 N ATOM 991 CA SER A 64 -4.606 1.011 -3.047 1.00 0.00 C ATOM 992 C SER A 64 -3.987 1.860 -1.943 1.00 0.00 C ATOM 993 O SER A 64 -3.582 2.998 -2.180 1.00 0.00 O ATOM 994 CB SER A 64 -3.606 -0.048 -3.516 1.00 0.00 C ATOM 995 OG SER A 64 -2.430 -0.028 -2.726 1.00 0.00 O ATOM 0 H SER A 64 -4.256 2.348 -4.621 1.00 0.00 H new ATOM 0 HA SER A 64 -5.489 0.512 -2.648 1.00 0.00 H new ATOM 0 HB2 SER A 64 -4.066 -1.035 -3.463 1.00 0.00 H new ATOM 0 HB3 SER A 64 -3.349 0.128 -4.560 1.00 0.00 H new ATOM 0 HG SER A 64 -1.809 -0.715 -3.046 1.00 0.00 H new ATOM 1001 N TRP A 65 -3.902 1.304 -0.737 1.00 0.00 N ATOM 1002 CA TRP A 65 -3.316 2.032 0.384 1.00 0.00 C ATOM 1003 C TRP A 65 -1.927 1.505 0.687 1.00 0.00 C ATOM 1004 O TRP A 65 -1.713 0.297 0.765 1.00 0.00 O ATOM 1005 CB TRP A 65 -4.204 1.938 1.629 1.00 0.00 C ATOM 1006 CG TRP A 65 -5.328 2.929 1.619 1.00 0.00 C ATOM 1007 CD1 TRP A 65 -5.222 4.286 1.738 1.00 0.00 C ATOM 1008 CD2 TRP A 65 -6.724 2.647 1.479 1.00 0.00 C ATOM 1009 NE1 TRP A 65 -6.468 4.862 1.680 1.00 0.00 N ATOM 1010 CE2 TRP A 65 -7.406 3.877 1.520 1.00 0.00 C ATOM 1011 CE3 TRP A 65 -7.465 1.472 1.322 1.00 0.00 C ATOM 1012 CZ2 TRP A 65 -8.791 3.964 1.410 1.00 0.00 C ATOM 1013 CZ3 TRP A 65 -8.840 1.562 1.212 1.00 0.00 C ATOM 1014 CH2 TRP A 65 -9.490 2.799 1.255 1.00 0.00 C ATOM 0 H TRP A 65 -4.227 0.364 -0.513 1.00 0.00 H new ATOM 0 HA TRP A 65 -3.241 3.082 0.101 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -4.615 0.931 1.701 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -3.593 2.098 2.518 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -4.295 4.826 1.860 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -6.663 5.861 1.745 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -6.972 0.512 1.287 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -9.296 4.918 1.446 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -9.423 0.661 1.091 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -10.566 2.835 1.164 1.00 0.00 H new ATOM 1025 N ILE A 66 -0.983 2.423 0.836 1.00 0.00 N ATOM 1026 CA ILE A 66 0.395 2.060 1.109 1.00 0.00 C ATOM 1027 C ILE A 66 0.806 2.436 2.524 1.00 0.00 C ATOM 1028 O ILE A 66 0.111 3.185 3.208 1.00 0.00 O ATOM 1029 CB ILE A 66 1.355 2.718 0.104 1.00 0.00 C ATOM 1030 CG1 ILE A 66 1.624 4.173 0.498 1.00 0.00 C ATOM 1031 CG2 ILE A 66 0.776 2.632 -1.302 1.00 0.00 C ATOM 1032 CD1 ILE A 66 2.106 5.034 -0.647 1.00 0.00 C ATOM 0 H ILE A 66 -1.150 3.427 0.772 1.00 0.00 H new ATOM 0 HA ILE A 66 0.460 0.977 1.005 1.00 0.00 H new ATOM 0 HB ILE A 66 2.305 2.184 0.118 1.00 0.00 H new ATOM 0 HG12 ILE A 66 0.710 4.605 0.906 1.00 0.00 H new ATOM 0 HG13 ILE A 66 2.368 4.193 1.294 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.462 3.100 -2.007 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.634 1.586 -1.574 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -0.184 3.148 -1.332 1.00 0.00 H new ATOM 0 HD11 ILE A 66 2.275 6.050 -0.292 1.00 0.00 H new ATOM 0 HD12 ILE A 66 3.038 4.628 -1.041 1.00 0.00 H new ATOM 0 HD13 ILE A 66 1.353 5.046 -1.435 1.00 0.00 H new ATOM 1044 N GLY A 67 1.937 1.898 2.948 1.00 0.00 N ATOM 1045 CA GLY A 67 2.448 2.160 4.276 1.00 0.00 C ATOM 1046 C GLY A 67 3.134 3.503 4.390 1.00 0.00 C ATOM 1047 O GLY A 67 4.299 3.580 4.778 1.00 0.00 O ATOM 0 H GLY A 67 2.518 1.275 2.387 1.00 0.00 H new ATOM 0 HA2 GLY A 67 1.626 2.116 4.991 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.152 1.374 4.550 1.00 0.00 H new ATOM 1051 N LEU A 68 2.413 4.564 4.056 1.00 0.00 N ATOM 1052 CA LEU A 68 2.972 5.908 4.130 1.00 0.00 C ATOM 1053 C LEU A 68 2.139 6.822 5.024 1.00 0.00 C ATOM 1054 O LEU A 68 0.936 6.992 4.822 1.00 0.00 O ATOM 1055 CB LEU A 68 3.076 6.520 2.731 1.00 0.00 C ATOM 1056 CG LEU A 68 4.045 7.701 2.598 1.00 0.00 C ATOM 1057 CD1 LEU A 68 3.508 8.930 3.316 1.00 0.00 C ATOM 1058 CD2 LEU A 68 5.417 7.331 3.132 1.00 0.00 C ATOM 0 H LEU A 68 1.446 4.522 3.733 1.00 0.00 H new ATOM 0 HA LEU A 68 3.966 5.819 4.567 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.383 5.740 2.034 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.084 6.850 2.423 1.00 0.00 H new ATOM 0 HG LEU A 68 4.139 7.941 1.539 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.214 9.753 3.206 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.549 9.214 2.883 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.376 8.704 4.374 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.090 8.183 3.028 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.336 7.058 4.184 1.00 0.00 H new ATOM 0 HD23 LEU A 68 5.812 6.486 2.567 1.00 0.00 H new ATOM 1070 N ARG A 69 2.814 7.433 5.989 1.00 0.00 N ATOM 1071 CA ARG A 69 2.191 8.371 6.911 1.00 0.00 C ATOM 1072 C ARG A 69 3.137 9.545 7.161 1.00 0.00 C ATOM 1073 O ARG A 69 4.261 9.351 7.622 1.00 0.00 O ATOM 1074 CB ARG A 69 1.832 7.665 8.224 1.00 0.00 C ATOM 1075 CG ARG A 69 1.895 8.562 9.454 1.00 0.00 C ATOM 1076 CD ARG A 69 2.759 7.951 10.545 1.00 0.00 C ATOM 1077 NE ARG A 69 2.141 8.072 11.863 1.00 0.00 N ATOM 1078 CZ ARG A 69 1.695 7.035 12.566 1.00 0.00 C ATOM 1079 NH1 ARG A 69 1.798 5.805 12.079 1.00 0.00 N ATOM 1080 NH2 ARG A 69 1.145 7.227 13.757 1.00 0.00 N ATOM 0 H ARG A 69 3.811 7.291 6.154 1.00 0.00 H new ATOM 0 HA ARG A 69 1.269 8.753 6.473 1.00 0.00 H new ATOM 0 HB2 ARG A 69 0.826 7.254 8.139 1.00 0.00 H new ATOM 0 HB3 ARG A 69 2.509 6.823 8.367 1.00 0.00 H new ATOM 0 HG2 ARG A 69 2.295 9.537 9.175 1.00 0.00 H new ATOM 0 HG3 ARG A 69 0.888 8.728 9.836 1.00 0.00 H new ATOM 0 HD2 ARG A 69 2.935 6.899 10.322 1.00 0.00 H new ATOM 0 HD3 ARG A 69 3.732 8.442 10.554 1.00 0.00 H new ATOM 0 HE ARG A 69 2.046 9.004 12.267 1.00 0.00 H new ATOM 0 HH11 ARG A 69 2.220 5.653 11.163 1.00 0.00 H new ATOM 0 HH12 ARG A 69 1.455 5.012 12.621 1.00 0.00 H new ATOM 0 HH21 ARG A 69 1.064 8.171 14.135 1.00 0.00 H new ATOM 0 HH22 ARG A 69 0.803 6.431 14.295 1.00 0.00 H new ATOM 1094 N ASN A 70 2.692 10.759 6.860 1.00 0.00 N ATOM 1095 CA ASN A 70 3.530 11.935 7.063 1.00 0.00 C ATOM 1096 C ASN A 70 3.385 12.470 8.483 1.00 0.00 C ATOM 1097 O ASN A 70 2.331 12.331 9.105 1.00 0.00 O ATOM 1098 CB ASN A 70 3.189 13.025 6.041 1.00 0.00 C ATOM 1099 CG ASN A 70 2.735 14.318 6.691 1.00 0.00 C ATOM 1100 OD1 ASN A 70 1.647 14.393 7.261 1.00 0.00 O ATOM 1101 ND2 ASN A 70 3.571 15.346 6.606 1.00 0.00 N ATOM 0 H ASN A 70 1.766 10.954 6.479 1.00 0.00 H new ATOM 0 HA ASN A 70 4.568 11.637 6.917 1.00 0.00 H new ATOM 0 HB2 ASN A 70 4.064 13.223 5.422 1.00 0.00 H new ATOM 0 HB3 ASN A 70 2.404 12.662 5.377 1.00 0.00 H new ATOM 0 HD21 ASN A 70 3.321 16.243 7.023 1.00 0.00 H new ATOM 0 HD22 ASN A 70 4.463 15.239 6.124 1.00 0.00 H new ATOM 1202 N PHE A 77 7.579 12.464 4.885 1.00 0.00 N ATOM 1203 CA PHE A 77 6.735 11.278 4.846 1.00 0.00 C ATOM 1204 C PHE A 77 7.465 10.084 5.448 1.00 0.00 C ATOM 1205 O PHE A 77 8.566 9.735 5.024 1.00 0.00 O ATOM 1206 CB PHE A 77 6.304 10.954 3.407 1.00 0.00 C ATOM 1207 CG PHE A 77 5.807 12.136 2.608 1.00 0.00 C ATOM 1208 CD1 PHE A 77 5.675 13.394 3.185 1.00 0.00 C ATOM 1209 CD2 PHE A 77 5.479 11.985 1.269 1.00 0.00 C ATOM 1210 CE1 PHE A 77 5.228 14.471 2.445 1.00 0.00 C ATOM 1211 CE2 PHE A 77 5.035 13.063 0.526 1.00 0.00 C ATOM 1212 CZ PHE A 77 4.909 14.306 1.114 1.00 0.00 C ATOM 0 HA PHE A 77 5.842 11.485 5.436 1.00 0.00 H new ATOM 0 HB2 PHE A 77 7.149 10.509 2.882 1.00 0.00 H new ATOM 0 HB3 PHE A 77 5.517 10.200 3.440 1.00 0.00 H new ATOM 0 HD1 PHE A 77 5.926 13.531 4.227 1.00 0.00 H new ATOM 0 HD2 PHE A 77 5.571 11.016 0.802 1.00 0.00 H new ATOM 0 HE1 PHE A 77 5.128 15.441 2.909 1.00 0.00 H new ATOM 0 HE2 PHE A 77 4.786 12.933 -0.517 1.00 0.00 H new ATOM 0 HZ PHE A 77 4.561 15.147 0.532 1.00 0.00 H new ATOM 1222 N ILE A 78 6.844 9.470 6.445 1.00 0.00 N ATOM 1223 CA ILE A 78 7.420 8.321 7.121 1.00 0.00 C ATOM 1224 C ILE A 78 6.545 7.088 6.930 1.00 0.00 C ATOM 1225 O ILE A 78 5.322 7.177 6.954 1.00 0.00 O ATOM 1226 CB ILE A 78 7.606 8.604 8.626 1.00 0.00 C ATOM 1227 CG1 ILE A 78 9.077 8.947 8.910 1.00 0.00 C ATOM 1228 CG2 ILE A 78 7.123 7.425 9.466 1.00 0.00 C ATOM 1229 CD1 ILE A 78 9.777 8.001 9.869 1.00 0.00 C ATOM 0 H ILE A 78 5.933 9.753 6.805 1.00 0.00 H new ATOM 0 HA ILE A 78 8.398 8.131 6.678 1.00 0.00 H new ATOM 0 HB ILE A 78 6.997 9.463 8.908 1.00 0.00 H new ATOM 0 HG12 ILE A 78 9.622 8.955 7.966 1.00 0.00 H new ATOM 0 HG13 ILE A 78 9.128 9.957 9.316 1.00 0.00 H new ATOM 0 HG21 ILE A 78 7.265 7.649 10.523 1.00 0.00 H new ATOM 0 HG22 ILE A 78 6.065 7.249 9.271 1.00 0.00 H new ATOM 0 HG23 ILE A 78 7.694 6.534 9.204 1.00 0.00 H new ATOM 0 HD11 ILE A 78 10.809 8.322 10.008 1.00 0.00 H new ATOM 0 HD12 ILE A 78 9.262 8.009 10.829 1.00 0.00 H new ATOM 0 HD13 ILE A 78 9.764 6.991 9.459 1.00 0.00 H new ATOM 1241 N TRP A 79 7.176 5.939 6.745 1.00 0.00 N ATOM 1242 CA TRP A 79 6.441 4.697 6.552 1.00 0.00 C ATOM 1243 C TRP A 79 5.853 4.215 7.874 1.00 0.00 C ATOM 1244 O TRP A 79 6.399 4.485 8.941 1.00 0.00 O ATOM 1245 CB TRP A 79 7.355 3.610 5.974 1.00 0.00 C ATOM 1246 CG TRP A 79 7.942 3.949 4.633 1.00 0.00 C ATOM 1247 CD1 TRP A 79 7.722 5.075 3.895 1.00 0.00 C ATOM 1248 CD2 TRP A 79 8.852 3.144 3.873 1.00 0.00 C ATOM 1249 NE1 TRP A 79 8.436 5.020 2.723 1.00 0.00 N ATOM 1250 CE2 TRP A 79 9.138 3.844 2.687 1.00 0.00 C ATOM 1251 CE3 TRP A 79 9.452 1.898 4.081 1.00 0.00 C ATOM 1252 CZ2 TRP A 79 9.998 3.341 1.713 1.00 0.00 C ATOM 1253 CZ3 TRP A 79 10.305 1.400 3.115 1.00 0.00 C ATOM 1254 CH2 TRP A 79 10.572 2.120 1.944 1.00 0.00 C ATOM 0 H TRP A 79 8.191 5.840 6.724 1.00 0.00 H new ATOM 0 HA TRP A 79 5.632 4.892 5.848 1.00 0.00 H new ATOM 0 HB2 TRP A 79 8.167 3.422 6.677 1.00 0.00 H new ATOM 0 HB3 TRP A 79 6.788 2.683 5.886 1.00 0.00 H new ATOM 0 HD1 TRP A 79 7.079 5.891 4.190 1.00 0.00 H new ATOM 0 HE1 TRP A 79 8.443 5.737 1.998 1.00 0.00 H new ATOM 0 HE3 TRP A 79 9.252 1.335 4.981 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 10.204 3.894 0.809 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 10.774 0.439 3.266 1.00 0.00 H new ATOM 0 HH2 TRP A 79 11.244 1.704 1.208 1.00 0.00 H new ATOM 1265 N VAL A 80 4.735 3.501 7.789 1.00 0.00 N ATOM 1266 CA VAL A 80 4.069 2.973 8.976 1.00 0.00 C ATOM 1267 C VAL A 80 5.007 2.048 9.747 1.00 0.00 C ATOM 1268 O VAL A 80 4.870 1.868 10.958 1.00 0.00 O ATOM 1269 CB VAL A 80 2.787 2.203 8.593 1.00 0.00 C ATOM 1270 CG1 VAL A 80 3.014 1.410 7.323 1.00 0.00 C ATOM 1271 CG2 VAL A 80 2.327 1.296 9.726 1.00 0.00 C ATOM 0 H VAL A 80 4.270 3.274 6.910 1.00 0.00 H new ATOM 0 HA VAL A 80 3.796 3.818 9.608 1.00 0.00 H new ATOM 0 HB VAL A 80 1.994 2.929 8.413 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.103 0.871 7.063 1.00 0.00 H new ATOM 0 HG12 VAL A 80 3.278 2.089 6.512 1.00 0.00 H new ATOM 0 HG13 VAL A 80 3.825 0.698 7.479 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.422 0.768 9.425 1.00 0.00 H new ATOM 0 HG22 VAL A 80 3.110 0.573 9.954 1.00 0.00 H new ATOM 0 HG23 VAL A 80 2.119 1.897 10.611 1.00 0.00 H new ATOM 1281 N ASP A 81 5.965 1.467 9.031 1.00 0.00 N ATOM 1282 CA ASP A 81 6.933 0.561 9.637 1.00 0.00 C ATOM 1283 C ASP A 81 7.997 1.342 10.400 1.00 0.00 C ATOM 1284 O ASP A 81 8.857 0.760 11.061 1.00 0.00 O ATOM 1285 CB ASP A 81 7.591 -0.304 8.561 1.00 0.00 C ATOM 1286 CG ASP A 81 8.233 -1.552 9.135 1.00 0.00 C ATOM 1287 OD1 ASP A 81 7.579 -2.231 9.956 1.00 0.00 O ATOM 1288 OD2 ASP A 81 9.388 -1.850 8.766 1.00 0.00 O ATOM 0 H ASP A 81 6.091 1.608 8.029 1.00 0.00 H new ATOM 0 HA ASP A 81 6.406 -0.084 10.340 1.00 0.00 H new ATOM 0 HB2 ASP A 81 6.843 -0.591 7.822 1.00 0.00 H new ATOM 0 HB3 ASP A 81 8.347 0.283 8.039 1.00 0.00 H new ATOM 1293 N GLY A 82 7.924 2.664 10.306 1.00 0.00 N ATOM 1294 CA GLY A 82 8.874 3.514 10.992 1.00 0.00 C ATOM 1295 C GLY A 82 10.142 3.746 10.193 1.00 0.00 C ATOM 1296 O GLY A 82 11.241 3.734 10.749 1.00 0.00 O ATOM 0 H GLY A 82 7.219 3.163 9.763 1.00 0.00 H new ATOM 0 HA2 GLY A 82 8.405 4.474 11.207 1.00 0.00 H new ATOM 0 HA3 GLY A 82 9.132 3.063 11.950 1.00 0.00 H new ATOM 1300 N SER A 83 9.995 3.960 8.889 1.00 0.00 N ATOM 1301 CA SER A 83 11.147 4.198 8.025 1.00 0.00 C ATOM 1302 C SER A 83 10.855 5.293 7.002 1.00 0.00 C ATOM 1303 O SER A 83 9.882 5.213 6.259 1.00 0.00 O ATOM 1304 CB SER A 83 11.546 2.908 7.307 1.00 0.00 C ATOM 1305 OG SER A 83 10.531 1.925 7.421 1.00 0.00 O ATOM 0 H SER A 83 9.095 3.974 8.409 1.00 0.00 H new ATOM 0 HA SER A 83 11.973 4.530 8.654 1.00 0.00 H new ATOM 0 HB2 SER A 83 11.736 3.118 6.255 1.00 0.00 H new ATOM 0 HB3 SER A 83 12.476 2.526 7.729 1.00 0.00 H new ATOM 0 HG SER A 83 10.810 1.111 6.952 1.00 0.00 H new ATOM 1311 N HIS A 84 11.706 6.313 6.969 1.00 0.00 N ATOM 1312 CA HIS A 84 11.538 7.419 6.035 1.00 0.00 C ATOM 1313 C HIS A 84 11.554 6.922 4.593 1.00 0.00 C ATOM 1314 O HIS A 84 12.224 5.940 4.271 1.00 0.00 O ATOM 1315 CB HIS A 84 12.641 8.458 6.242 1.00 0.00 C ATOM 1316 CG HIS A 84 13.982 7.861 6.536 1.00 0.00 C ATOM 1317 ND1 HIS A 84 14.391 7.517 7.807 1.00 0.00 N ATOM 1318 CD2 HIS A 84 15.011 7.546 5.714 1.00 0.00 C ATOM 1319 CE1 HIS A 84 15.613 7.017 7.755 1.00 0.00 C ATOM 1320 NE2 HIS A 84 16.011 7.023 6.496 1.00 0.00 N ATOM 0 H HIS A 84 12.519 6.396 7.579 1.00 0.00 H new ATOM 0 HA HIS A 84 10.570 7.882 6.228 1.00 0.00 H new ATOM 0 HB2 HIS A 84 12.717 9.077 5.348 1.00 0.00 H new ATOM 0 HB3 HIS A 84 12.358 9.117 7.063 1.00 0.00 H new ATOM 0 HD2 HIS A 84 15.040 7.681 4.643 1.00 0.00 H new ATOM 0 HE1 HIS A 84 16.188 6.664 8.598 1.00 0.00 H new ATOM 0 HE2 HIS A 84 16.915 6.693 6.159 1.00 0.00 H new ATOM 1329 N VAL A 85 10.811 7.608 3.730 1.00 0.00 N ATOM 1330 CA VAL A 85 10.732 7.244 2.319 1.00 0.00 C ATOM 1331 C VAL A 85 12.118 7.207 1.681 1.00 0.00 C ATOM 1332 O VAL A 85 13.060 7.816 2.187 1.00 0.00 O ATOM 1333 CB VAL A 85 9.843 8.228 1.535 1.00 0.00 C ATOM 1334 CG1 VAL A 85 9.534 7.688 0.149 1.00 0.00 C ATOM 1335 CG2 VAL A 85 8.559 8.512 2.299 1.00 0.00 C ATOM 0 H VAL A 85 10.253 8.423 3.985 1.00 0.00 H new ATOM 0 HA VAL A 85 10.289 6.249 2.273 1.00 0.00 H new ATOM 0 HB VAL A 85 10.389 9.165 1.420 1.00 0.00 H new ATOM 0 HG11 VAL A 85 8.905 8.399 -0.387 1.00 0.00 H new ATOM 0 HG12 VAL A 85 10.464 7.541 -0.400 1.00 0.00 H new ATOM 0 HG13 VAL A 85 9.011 6.736 0.238 1.00 0.00 H new ATOM 0 HG21 VAL A 85 7.944 9.209 1.730 1.00 0.00 H new ATOM 0 HG22 VAL A 85 8.011 7.582 2.448 1.00 0.00 H new ATOM 0 HG23 VAL A 85 8.801 8.949 3.268 1.00 0.00 H new ATOM 1345 N ASP A 86 12.237 6.484 0.571 1.00 0.00 N ATOM 1346 CA ASP A 86 13.511 6.364 -0.130 1.00 0.00 C ATOM 1347 C ASP A 86 13.372 6.726 -1.606 1.00 0.00 C ATOM 1348 O ASP A 86 14.296 7.274 -2.207 1.00 0.00 O ATOM 1349 CB ASP A 86 14.058 4.943 0.007 1.00 0.00 C ATOM 1350 CG ASP A 86 14.329 4.563 1.450 1.00 0.00 C ATOM 1351 OD1 ASP A 86 13.370 4.178 2.152 1.00 0.00 O ATOM 1352 OD2 ASP A 86 15.499 4.651 1.878 1.00 0.00 O ATOM 0 H ASP A 86 11.468 5.973 0.138 1.00 0.00 H new ATOM 0 HA ASP A 86 14.209 7.066 0.327 1.00 0.00 H new ATOM 0 HB2 ASP A 86 13.345 4.239 -0.423 1.00 0.00 H new ATOM 0 HB3 ASP A 86 14.980 4.855 -0.568 1.00 0.00 H new ATOM 1357 N TYR A 87 12.220 6.410 -2.190 1.00 0.00 N ATOM 1358 CA TYR A 87 11.979 6.700 -3.601 1.00 0.00 C ATOM 1359 C TYR A 87 10.788 7.635 -3.783 1.00 0.00 C ATOM 1360 O TYR A 87 10.867 8.615 -4.525 1.00 0.00 O ATOM 1361 CB TYR A 87 11.745 5.402 -4.379 1.00 0.00 C ATOM 1362 CG TYR A 87 12.922 4.454 -4.340 1.00 0.00 C ATOM 1363 CD1 TYR A 87 13.118 3.605 -3.257 1.00 0.00 C ATOM 1364 CD2 TYR A 87 13.836 4.406 -5.384 1.00 0.00 C ATOM 1365 CE1 TYR A 87 14.193 2.736 -3.218 1.00 0.00 C ATOM 1366 CE2 TYR A 87 14.912 3.540 -5.352 1.00 0.00 C ATOM 1367 CZ TYR A 87 15.086 2.708 -4.267 1.00 0.00 C ATOM 1368 OH TYR A 87 16.157 1.844 -4.231 1.00 0.00 O ATOM 0 H TYR A 87 11.442 5.956 -1.712 1.00 0.00 H new ATOM 0 HA TYR A 87 12.866 7.200 -3.992 1.00 0.00 H new ATOM 0 HB2 TYR A 87 10.869 4.897 -3.972 1.00 0.00 H new ATOM 0 HB3 TYR A 87 11.519 5.646 -5.417 1.00 0.00 H new ATOM 0 HD1 TYR A 87 12.420 3.624 -2.433 1.00 0.00 H new ATOM 0 HD2 TYR A 87 13.704 5.057 -6.236 1.00 0.00 H new ATOM 0 HE1 TYR A 87 14.332 2.082 -2.369 1.00 0.00 H new ATOM 0 HE2 TYR A 87 15.613 3.515 -6.173 1.00 0.00 H new ATOM 0 HH TYR A 87 16.689 1.948 -5.047 1.00 0.00 H new ATOM 1378 N SER A 88 9.688 7.323 -3.104 1.00 0.00 N ATOM 1379 CA SER A 88 8.465 8.124 -3.185 1.00 0.00 C ATOM 1380 C SER A 88 7.939 8.180 -4.618 1.00 0.00 C ATOM 1381 O SER A 88 8.685 7.962 -5.571 1.00 0.00 O ATOM 1382 CB SER A 88 8.707 9.541 -2.658 1.00 0.00 C ATOM 1383 OG SER A 88 10.056 9.729 -2.269 1.00 0.00 O ATOM 0 H SER A 88 9.616 6.515 -2.486 1.00 0.00 H new ATOM 0 HA SER A 88 7.712 7.643 -2.560 1.00 0.00 H new ATOM 0 HB2 SER A 88 8.445 10.266 -3.429 1.00 0.00 H new ATOM 0 HB3 SER A 88 8.053 9.730 -1.807 1.00 0.00 H new ATOM 0 HG SER A 88 10.177 10.644 -1.939 1.00 0.00 H new ATOM 1389 N ASN A 89 6.645 8.460 -4.767 1.00 0.00 N ATOM 1390 CA ASN A 89 6.036 8.522 -6.091 1.00 0.00 C ATOM 1391 C ASN A 89 5.032 9.672 -6.224 1.00 0.00 C ATOM 1392 O ASN A 89 4.632 10.001 -7.340 1.00 0.00 O ATOM 1393 CB ASN A 89 5.324 7.205 -6.400 1.00 0.00 C ATOM 1394 CG ASN A 89 6.268 6.074 -6.752 1.00 0.00 C ATOM 1395 OD1 ASN A 89 7.453 6.287 -7.006 1.00 0.00 O ATOM 1396 ND2 ASN A 89 5.736 4.856 -6.774 1.00 0.00 N ATOM 0 H ASN A 89 6.005 8.646 -3.995 1.00 0.00 H new ATOM 0 HA ASN A 89 6.844 8.698 -6.801 1.00 0.00 H new ATOM 0 HB2 ASN A 89 4.727 6.913 -5.536 1.00 0.00 H new ATOM 0 HB3 ASN A 89 4.632 7.361 -7.228 1.00 0.00 H new ATOM 0 HD21 ASN A 89 6.316 4.050 -7.009 1.00 0.00 H new ATOM 0 HD22 ASN A 89 4.748 4.727 -6.556 1.00 0.00 H new ATOM 1598 N CYS A 104 -1.393 11.056 4.482 1.00 0.00 N ATOM 1599 CA CYS A 104 -1.471 9.701 3.951 1.00 0.00 C ATOM 1600 C CYS A 104 -1.343 9.716 2.430 1.00 0.00 C ATOM 1601 O CYS A 104 -1.885 10.595 1.759 1.00 0.00 O ATOM 1602 CB CYS A 104 -2.787 9.034 4.363 1.00 0.00 C ATOM 1603 SG CYS A 104 -3.555 9.753 5.854 1.00 0.00 S ATOM 0 HA CYS A 104 -0.645 9.124 4.367 1.00 0.00 H new ATOM 0 HB2 CYS A 104 -3.492 9.105 3.535 1.00 0.00 H new ATOM 0 HB3 CYS A 104 -2.605 7.974 4.537 1.00 0.00 H new ATOM 0 HG CYS A 104 -2.971 10.878 6.143 1.00 0.00 H new ATOM 1608 N VAL A 105 -0.618 8.746 1.890 1.00 0.00 N ATOM 1609 CA VAL A 105 -0.419 8.663 0.453 1.00 0.00 C ATOM 1610 C VAL A 105 -1.296 7.582 -0.167 1.00 0.00 C ATOM 1611 O VAL A 105 -1.426 6.481 0.367 1.00 0.00 O ATOM 1612 CB VAL A 105 1.057 8.394 0.100 1.00 0.00 C ATOM 1613 CG1 VAL A 105 1.210 8.065 -1.375 1.00 0.00 C ATOM 1614 CG2 VAL A 105 1.914 9.596 0.456 1.00 0.00 C ATOM 0 H VAL A 105 -0.160 8.008 2.425 1.00 0.00 H new ATOM 0 HA VAL A 105 -0.706 9.630 0.040 1.00 0.00 H new ATOM 0 HB VAL A 105 1.392 7.535 0.682 1.00 0.00 H new ATOM 0 HG11 VAL A 105 2.260 7.879 -1.599 1.00 0.00 H new ATOM 0 HG12 VAL A 105 0.626 7.176 -1.612 1.00 0.00 H new ATOM 0 HG13 VAL A 105 0.854 8.903 -1.974 1.00 0.00 H new ATOM 0 HG21 VAL A 105 2.953 9.390 0.201 1.00 0.00 H new ATOM 0 HG22 VAL A 105 1.569 10.467 -0.101 1.00 0.00 H new ATOM 0 HG23 VAL A 105 1.836 9.795 1.525 1.00 0.00 H new ATOM 1624 N MET A 106 -1.890 7.917 -1.302 1.00 0.00 N ATOM 1625 CA MET A 106 -2.758 7.005 -2.027 1.00 0.00 C ATOM 1626 C MET A 106 -2.186 6.725 -3.409 1.00 0.00 C ATOM 1627 O MET A 106 -1.255 7.394 -3.850 1.00 0.00 O ATOM 1628 CB MET A 106 -4.167 7.590 -2.146 1.00 0.00 C ATOM 1629 CG MET A 106 -4.279 8.721 -3.156 1.00 0.00 C ATOM 1630 SD MET A 106 -5.757 8.593 -4.181 1.00 0.00 S ATOM 1631 CE MET A 106 -5.265 9.554 -5.610 1.00 0.00 C ATOM 0 H MET A 106 -1.783 8.829 -1.746 1.00 0.00 H new ATOM 0 HA MET A 106 -2.818 6.067 -1.474 1.00 0.00 H new ATOM 0 HB2 MET A 106 -4.858 6.795 -2.427 1.00 0.00 H new ATOM 0 HB3 MET A 106 -4.482 7.956 -1.169 1.00 0.00 H new ATOM 0 HG2 MET A 106 -4.289 9.675 -2.628 1.00 0.00 H new ATOM 0 HG3 MET A 106 -3.397 8.720 -3.796 1.00 0.00 H new ATOM 0 HE1 MET A 106 -6.147 9.809 -6.198 1.00 0.00 H new ATOM 0 HE2 MET A 106 -4.771 10.468 -5.281 1.00 0.00 H new ATOM 0 HE3 MET A 106 -4.577 8.970 -6.222 1.00 0.00 H new ATOM 1641 N MET A 107 -2.738 5.733 -4.086 1.00 0.00 N ATOM 1642 CA MET A 107 -2.271 5.371 -5.416 1.00 0.00 C ATOM 1643 C MET A 107 -3.424 5.412 -6.416 1.00 0.00 C ATOM 1644 O MET A 107 -4.483 4.833 -6.174 1.00 0.00 O ATOM 1645 CB MET A 107 -1.640 3.973 -5.379 1.00 0.00 C ATOM 1646 CG MET A 107 -1.741 3.211 -6.688 1.00 0.00 C ATOM 1647 SD MET A 107 -3.260 2.248 -6.825 1.00 0.00 S ATOM 1648 CE MET A 107 -3.825 2.738 -8.453 1.00 0.00 C ATOM 0 H MET A 107 -3.509 5.163 -3.738 1.00 0.00 H new ATOM 0 HA MET A 107 -1.518 6.091 -5.737 1.00 0.00 H new ATOM 0 HB2 MET A 107 -0.589 4.068 -5.107 1.00 0.00 H new ATOM 0 HB3 MET A 107 -2.121 3.390 -4.594 1.00 0.00 H new ATOM 0 HG2 MET A 107 -1.688 3.916 -7.518 1.00 0.00 H new ATOM 0 HG3 MET A 107 -0.884 2.544 -6.781 1.00 0.00 H new ATOM 0 HE1 MET A 107 -4.414 1.933 -8.891 1.00 0.00 H new ATOM 0 HE2 MET A 107 -4.440 3.634 -8.370 1.00 0.00 H new ATOM 0 HE3 MET A 107 -2.965 2.946 -9.089 1.00 0.00 H new ATOM 1707 N ARG A 112 0.221 6.070 -10.413 1.00 0.00 N ATOM 1708 CA ARG A 112 1.288 6.289 -9.449 1.00 0.00 C ATOM 1709 C ARG A 112 0.722 6.620 -8.067 1.00 0.00 C ATOM 1710 O ARG A 112 -0.327 6.110 -7.676 1.00 0.00 O ATOM 1711 CB ARG A 112 2.219 7.402 -9.938 1.00 0.00 C ATOM 1712 CG ARG A 112 1.566 8.774 -10.008 1.00 0.00 C ATOM 1713 CD ARG A 112 2.414 9.820 -9.312 1.00 0.00 C ATOM 1714 NE ARG A 112 3.720 9.975 -9.945 1.00 0.00 N ATOM 1715 CZ ARG A 112 3.902 10.549 -11.131 1.00 0.00 C ATOM 1716 NH1 ARG A 112 2.865 11.026 -11.808 1.00 0.00 N ATOM 1717 NH2 ARG A 112 5.122 10.648 -11.641 1.00 0.00 N ATOM 0 HA ARG A 112 1.864 5.368 -9.358 1.00 0.00 H new ATOM 0 HB2 ARG A 112 3.082 7.456 -9.275 1.00 0.00 H new ATOM 0 HB3 ARG A 112 2.593 7.139 -10.927 1.00 0.00 H new ATOM 0 HG2 ARG A 112 1.418 9.057 -11.050 1.00 0.00 H new ATOM 0 HG3 ARG A 112 0.580 8.735 -9.545 1.00 0.00 H new ATOM 0 HD2 ARG A 112 1.891 10.776 -9.322 1.00 0.00 H new ATOM 0 HD3 ARG A 112 2.548 9.541 -8.267 1.00 0.00 H new ATOM 0 HE ARG A 112 4.539 9.623 -9.450 1.00 0.00 H new ATOM 0 HH11 ARG A 112 1.925 10.953 -11.419 1.00 0.00 H new ATOM 0 HH12 ARG A 112 3.008 11.466 -12.717 1.00 0.00 H new ATOM 0 HH21 ARG A 112 5.922 10.284 -11.124 1.00 0.00 H new ATOM 0 HH22 ARG A 112 5.260 11.088 -12.551 1.00 0.00 H new ATOM 1731 N TRP A 113 1.431 7.470 -7.334 1.00 0.00 N ATOM 1732 CA TRP A 113 1.026 7.870 -5.995 1.00 0.00 C ATOM 1733 C TRP A 113 0.524 9.296 -5.969 1.00 0.00 C ATOM 1734 O TRP A 113 0.856 10.111 -6.828 1.00 0.00 O ATOM 1735 CB TRP A 113 2.200 7.834 -5.024 1.00 0.00 C ATOM 1736 CG TRP A 113 2.742 6.487 -4.700 1.00 0.00 C ATOM 1737 CD1 TRP A 113 2.551 5.314 -5.365 1.00 0.00 C ATOM 1738 CD2 TRP A 113 3.613 6.204 -3.613 1.00 0.00 C ATOM 1739 NE1 TRP A 113 3.261 4.310 -4.749 1.00 0.00 N ATOM 1740 CE2 TRP A 113 3.919 4.835 -3.664 1.00 0.00 C ATOM 1741 CE3 TRP A 113 4.162 6.991 -2.596 1.00 0.00 C ATOM 1742 CZ2 TRP A 113 4.758 4.227 -2.732 1.00 0.00 C ATOM 1743 CZ3 TRP A 113 4.994 6.390 -1.671 1.00 0.00 C ATOM 1744 CH2 TRP A 113 5.285 5.018 -1.743 1.00 0.00 C ATOM 0 H TRP A 113 2.300 7.899 -7.651 1.00 0.00 H new ATOM 0 HA TRP A 113 0.245 7.167 -5.705 1.00 0.00 H new ATOM 0 HB2 TRP A 113 3.007 8.437 -5.439 1.00 0.00 H new ATOM 0 HB3 TRP A 113 1.891 8.312 -4.094 1.00 0.00 H new ATOM 0 HD1 TRP A 113 1.935 5.191 -6.243 1.00 0.00 H new ATOM 0 HE1 TRP A 113 3.293 3.336 -5.049 1.00 0.00 H new ATOM 0 HE3 TRP A 113 3.940 8.046 -2.535 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 4.985 3.172 -2.786 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 5.427 6.985 -0.880 1.00 0.00 H new ATOM 0 HH2 TRP A 113 5.937 4.576 -1.004 1.00 0.00 H new ATOM 1755 N ASN A 114 -0.213 9.602 -4.922 1.00 0.00 N ATOM 1756 CA ASN A 114 -0.696 10.942 -4.699 1.00 0.00 C ATOM 1757 C ASN A 114 -0.641 11.233 -3.208 1.00 0.00 C ATOM 1758 O ASN A 114 -1.270 10.544 -2.405 1.00 0.00 O ATOM 1759 CB ASN A 114 -2.126 11.097 -5.220 1.00 0.00 C ATOM 1760 CG ASN A 114 -2.220 10.903 -6.721 1.00 0.00 C ATOM 1761 OD1 ASN A 114 -2.166 11.865 -7.487 1.00 0.00 O ATOM 1762 ND2 ASN A 114 -2.363 9.654 -7.149 1.00 0.00 N ATOM 0 H ASN A 114 -0.491 8.930 -4.207 1.00 0.00 H new ATOM 0 HA ASN A 114 -0.069 11.651 -5.240 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -2.771 10.373 -4.722 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -2.499 12.088 -4.961 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -2.433 9.462 -8.148 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -2.403 8.887 -6.478 1.00 0.00 H new ATOM 1769 N ASP A 115 0.121 12.250 -2.845 1.00 0.00 N ATOM 1770 CA ASP A 115 0.274 12.631 -1.452 1.00 0.00 C ATOM 1771 C ASP A 115 -0.773 13.666 -1.051 1.00 0.00 C ATOM 1772 O ASP A 115 -0.865 14.737 -1.651 1.00 0.00 O ATOM 1773 CB ASP A 115 1.679 13.182 -1.217 1.00 0.00 C ATOM 1774 CG ASP A 115 1.922 13.509 0.242 1.00 0.00 C ATOM 1775 OD1 ASP A 115 2.088 12.566 1.044 1.00 0.00 O ATOM 1776 OD2 ASP A 115 1.942 14.710 0.586 1.00 0.00 O ATOM 0 H ASP A 115 0.646 12.830 -3.500 1.00 0.00 H new ATOM 0 HA ASP A 115 0.128 11.746 -0.833 1.00 0.00 H new ATOM 0 HB2 ASP A 115 2.416 12.452 -1.553 1.00 0.00 H new ATOM 0 HB3 ASP A 115 1.822 14.080 -1.819 1.00 0.00 H new ATOM 1781 N ALA A 116 -1.561 13.335 -0.033 1.00 0.00 N ATOM 1782 CA ALA A 116 -2.602 14.224 0.453 1.00 0.00 C ATOM 1783 C ALA A 116 -2.940 13.907 1.904 1.00 0.00 C ATOM 1784 O ALA A 116 -2.616 12.831 2.399 1.00 0.00 O ATOM 1785 CB ALA A 116 -3.843 14.119 -0.420 1.00 0.00 C ATOM 0 H ALA A 116 -1.495 12.451 0.472 1.00 0.00 H new ATOM 0 HA ALA A 116 -2.232 15.248 0.402 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -4.612 14.792 -0.041 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -3.592 14.395 -1.444 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -4.215 13.095 -0.401 1.00 0.00 H new ATOM 1879 N LEU A 122 -10.259 5.871 -1.641 1.00 0.00 N ATOM 1880 CA LEU A 122 -9.846 4.750 -2.475 1.00 0.00 C ATOM 1881 C LEU A 122 -10.850 3.607 -2.369 1.00 0.00 C ATOM 1882 O LEU A 122 -12.000 3.819 -1.985 1.00 0.00 O ATOM 1883 CB LEU A 122 -8.453 4.266 -2.066 1.00 0.00 C ATOM 1884 CG LEU A 122 -7.321 5.250 -2.360 1.00 0.00 C ATOM 1885 CD1 LEU A 122 -7.077 6.154 -1.164 1.00 0.00 C ATOM 1886 CD2 LEU A 122 -6.049 4.507 -2.730 1.00 0.00 C ATOM 0 HA LEU A 122 -9.810 5.088 -3.511 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -8.458 4.049 -0.998 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -8.244 3.328 -2.581 1.00 0.00 H new ATOM 0 HG LEU A 122 -7.617 5.869 -3.207 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -6.268 6.848 -1.391 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -7.984 6.715 -0.941 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -6.804 5.548 -0.300 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -5.255 5.225 -2.936 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -5.750 3.863 -1.903 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -6.227 3.899 -3.617 1.00 0.00 H new ATOM 1898 N GLY A 123 -10.415 2.399 -2.711 1.00 0.00 N ATOM 1899 CA GLY A 123 -11.304 1.257 -2.643 1.00 0.00 C ATOM 1900 C GLY A 123 -10.577 -0.071 -2.724 1.00 0.00 C ATOM 1901 O GLY A 123 -11.145 -1.063 -3.179 1.00 0.00 O ATOM 0 H GLY A 123 -9.469 2.192 -3.032 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -11.868 1.299 -1.711 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -12.027 1.318 -3.456 1.00 0.00 H new ATOM 1905 N ALA A 124 -9.323 -0.100 -2.280 1.00 0.00 N ATOM 1906 CA ALA A 124 -8.544 -1.334 -2.311 1.00 0.00 C ATOM 1907 C ALA A 124 -7.621 -1.448 -1.109 1.00 0.00 C ATOM 1908 O ALA A 124 -6.891 -0.515 -0.776 1.00 0.00 O ATOM 1909 CB ALA A 124 -7.753 -1.443 -3.602 1.00 0.00 C ATOM 0 H ALA A 124 -8.829 0.707 -1.899 1.00 0.00 H new ATOM 0 HA ALA A 124 -9.250 -2.163 -2.265 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -7.181 -2.371 -3.601 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -8.438 -1.440 -4.450 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -7.071 -0.596 -3.684 1.00 0.00 H new ATOM 1915 N TRP A 125 -7.660 -2.610 -0.466 1.00 0.00 N ATOM 1916 CA TRP A 125 -6.830 -2.870 0.701 1.00 0.00 C ATOM 1917 C TRP A 125 -5.585 -3.655 0.310 1.00 0.00 C ATOM 1918 O TRP A 125 -5.658 -4.855 0.047 1.00 0.00 O ATOM 1919 CB TRP A 125 -7.621 -3.651 1.756 1.00 0.00 C ATOM 1920 CG TRP A 125 -8.767 -2.885 2.350 1.00 0.00 C ATOM 1921 CD1 TRP A 125 -9.285 -1.700 1.910 1.00 0.00 C ATOM 1922 CD2 TRP A 125 -9.540 -3.258 3.497 1.00 0.00 C ATOM 1923 NE1 TRP A 125 -10.329 -1.314 2.714 1.00 0.00 N ATOM 1924 CE2 TRP A 125 -10.506 -2.253 3.695 1.00 0.00 C ATOM 1925 CE3 TRP A 125 -9.510 -4.344 4.378 1.00 0.00 C ATOM 1926 CZ2 TRP A 125 -11.432 -2.302 4.734 1.00 0.00 C ATOM 1927 CZ3 TRP A 125 -10.428 -4.392 5.409 1.00 0.00 C ATOM 1928 CH2 TRP A 125 -11.379 -3.377 5.579 1.00 0.00 C ATOM 0 H TRP A 125 -8.261 -3.389 -0.736 1.00 0.00 H new ATOM 0 HA TRP A 125 -6.525 -1.911 1.120 1.00 0.00 H new ATOM 0 HB2 TRP A 125 -8.004 -4.566 1.304 1.00 0.00 H new ATOM 0 HB3 TRP A 125 -6.943 -3.950 2.556 1.00 0.00 H new ATOM 0 HD1 TRP A 125 -8.926 -1.147 1.054 1.00 0.00 H new ATOM 0 HE1 TRP A 125 -10.883 -0.465 2.599 1.00 0.00 H new ATOM 0 HE3 TRP A 125 -8.781 -5.132 4.254 1.00 0.00 H new ATOM 0 HZ2 TRP A 125 -12.165 -1.520 4.868 1.00 0.00 H new ATOM 0 HZ3 TRP A 125 -10.413 -5.226 6.095 1.00 0.00 H new ATOM 0 HH2 TRP A 125 -12.085 -3.445 6.394 1.00 0.00 H new ATOM 1939 N VAL A 126 -4.445 -2.977 0.276 1.00 0.00 N ATOM 1940 CA VAL A 126 -3.195 -3.620 -0.077 1.00 0.00 C ATOM 1941 C VAL A 126 -2.267 -3.665 1.136 1.00 0.00 C ATOM 1942 O VAL A 126 -2.060 -2.661 1.817 1.00 0.00 O ATOM 1943 CB VAL A 126 -2.510 -2.901 -1.256 1.00 0.00 C ATOM 1944 CG1 VAL A 126 -1.035 -3.197 -1.288 1.00 0.00 C ATOM 1945 CG2 VAL A 126 -3.135 -3.313 -2.572 1.00 0.00 C ATOM 0 H VAL A 126 -4.365 -1.983 0.489 1.00 0.00 H new ATOM 0 HA VAL A 126 -3.414 -4.640 -0.393 1.00 0.00 H new ATOM 0 HB VAL A 126 -2.651 -1.830 -1.112 1.00 0.00 H new ATOM 0 HG11 VAL A 126 -0.578 -2.677 -2.130 1.00 0.00 H new ATOM 0 HG12 VAL A 126 -0.576 -2.858 -0.359 1.00 0.00 H new ATOM 0 HG13 VAL A 126 -0.882 -4.271 -1.398 1.00 0.00 H new ATOM 0 HG21 VAL A 126 -2.636 -2.793 -3.390 1.00 0.00 H new ATOM 0 HG22 VAL A 126 -3.026 -4.389 -2.705 1.00 0.00 H new ATOM 0 HG23 VAL A 126 -4.194 -3.053 -2.569 1.00 0.00 H new ATOM 1955 N CYS A 127 -1.740 -4.850 1.407 1.00 0.00 N ATOM 1956 CA CYS A 127 -0.858 -5.082 2.548 1.00 0.00 C ATOM 1957 C CYS A 127 0.318 -5.954 2.138 1.00 0.00 C ATOM 1958 O CYS A 127 0.305 -6.545 1.065 1.00 0.00 O ATOM 1959 CB CYS A 127 -1.621 -5.748 3.694 1.00 0.00 C ATOM 1960 SG CYS A 127 -3.332 -5.158 3.894 1.00 0.00 S ATOM 0 H CYS A 127 -1.911 -5.682 0.842 1.00 0.00 H new ATOM 0 HA CYS A 127 -0.484 -4.117 2.890 1.00 0.00 H new ATOM 0 HB2 CYS A 127 -1.637 -6.825 3.527 1.00 0.00 H new ATOM 0 HB3 CYS A 127 -1.079 -5.578 4.624 1.00 0.00 H new ATOM 1965 N ASP A 128 1.336 -6.028 2.981 1.00 0.00 N ATOM 1966 CA ASP A 128 2.497 -6.839 2.681 1.00 0.00 C ATOM 1967 C ASP A 128 2.773 -7.809 3.819 1.00 0.00 C ATOM 1968 O ASP A 128 2.587 -7.487 4.990 1.00 0.00 O ATOM 1969 CB ASP A 128 3.717 -5.955 2.439 1.00 0.00 C ATOM 1970 CG ASP A 128 4.242 -5.329 3.717 1.00 0.00 C ATOM 1971 OD1 ASP A 128 3.722 -4.264 4.112 1.00 0.00 O ATOM 1972 OD2 ASP A 128 5.171 -5.903 4.322 1.00 0.00 O ATOM 0 H ASP A 128 1.379 -5.537 3.874 1.00 0.00 H new ATOM 0 HA ASP A 128 2.293 -7.409 1.775 1.00 0.00 H new ATOM 0 HB2 ASP A 128 4.506 -6.549 1.978 1.00 0.00 H new ATOM 0 HB3 ASP A 128 3.457 -5.167 1.732 1.00 0.00 H new ATOM 1977 N ARG A 129 3.220 -9.000 3.459 1.00 0.00 N ATOM 1978 CA ARG A 129 3.527 -10.037 4.431 1.00 0.00 C ATOM 1979 C ARG A 129 4.511 -11.033 3.840 1.00 0.00 C ATOM 1980 O ARG A 129 4.520 -11.262 2.632 1.00 0.00 O ATOM 1981 CB ARG A 129 2.248 -10.756 4.868 1.00 0.00 C ATOM 1982 CG ARG A 129 2.481 -11.840 5.909 1.00 0.00 C ATOM 1983 CD ARG A 129 2.753 -11.245 7.282 1.00 0.00 C ATOM 1984 NE ARG A 129 4.107 -11.536 7.745 1.00 0.00 N ATOM 1985 CZ ARG A 129 4.377 -12.203 8.864 1.00 0.00 C ATOM 1986 NH1 ARG A 129 3.390 -12.644 9.633 1.00 0.00 N ATOM 1987 NH2 ARG A 129 5.635 -12.428 9.215 1.00 0.00 N ATOM 0 H ARG A 129 3.380 -9.275 2.490 1.00 0.00 H new ATOM 0 HA ARG A 129 3.979 -9.570 5.306 1.00 0.00 H new ATOM 0 HB2 ARG A 129 1.549 -10.023 5.270 1.00 0.00 H new ATOM 0 HB3 ARG A 129 1.775 -11.201 3.993 1.00 0.00 H new ATOM 0 HG2 ARG A 129 1.608 -12.491 5.960 1.00 0.00 H new ATOM 0 HG3 ARG A 129 3.324 -12.461 5.607 1.00 0.00 H new ATOM 0 HD2 ARG A 129 2.607 -10.166 7.245 1.00 0.00 H new ATOM 0 HD3 ARG A 129 2.032 -11.640 7.998 1.00 0.00 H new ATOM 0 HE ARG A 129 4.890 -11.209 7.179 1.00 0.00 H new ATOM 0 HH11 ARG A 129 2.420 -12.472 9.367 1.00 0.00 H new ATOM 0 HH12 ARG A 129 3.601 -13.155 10.490 1.00 0.00 H new ATOM 0 HH21 ARG A 129 6.397 -12.090 8.627 1.00 0.00 H new ATOM 0 HH22 ARG A 129 5.841 -12.939 10.073 1.00 0.00 H new ATOM 2001 N LEU A 130 5.333 -11.629 4.689 1.00 0.00 N ATOM 2002 CA LEU A 130 6.313 -12.602 4.229 1.00 0.00 C ATOM 2003 C LEU A 130 5.623 -13.855 3.698 1.00 0.00 C ATOM 2004 O LEU A 130 4.707 -14.385 4.327 1.00 0.00 O ATOM 2005 CB LEU A 130 7.280 -12.957 5.361 1.00 0.00 C ATOM 2006 CG LEU A 130 8.478 -12.010 5.524 1.00 0.00 C ATOM 2007 CD1 LEU A 130 9.739 -12.650 4.964 1.00 0.00 C ATOM 2008 CD2 LEU A 130 8.215 -10.668 4.847 1.00 0.00 C ATOM 0 H LEU A 130 5.342 -11.458 5.695 1.00 0.00 H new ATOM 0 HA LEU A 130 6.883 -12.158 3.413 1.00 0.00 H new ATOM 0 HB2 LEU A 130 6.724 -12.977 6.298 1.00 0.00 H new ATOM 0 HB3 LEU A 130 7.656 -13.966 5.192 1.00 0.00 H new ATOM 0 HG LEU A 130 8.621 -11.827 6.589 1.00 0.00 H new ATOM 0 HD11 LEU A 130 10.579 -11.967 5.087 1.00 0.00 H new ATOM 0 HD12 LEU A 130 9.944 -13.578 5.498 1.00 0.00 H new ATOM 0 HD13 LEU A 130 9.598 -12.865 3.905 1.00 0.00 H new ATOM 0 HD21 LEU A 130 9.080 -10.018 4.979 1.00 0.00 H new ATOM 0 HD22 LEU A 130 8.038 -10.826 3.783 1.00 0.00 H new ATOM 0 HD23 LEU A 130 7.338 -10.200 5.295 1.00 0.00 H new ATOM 2020 N ALA A 131 6.064 -14.310 2.525 1.00 0.00 N ATOM 2021 CA ALA A 131 5.491 -15.491 1.885 1.00 0.00 C ATOM 2022 C ALA A 131 5.298 -16.632 2.878 1.00 0.00 C ATOM 2023 O ALA A 131 6.242 -17.057 3.544 1.00 0.00 O ATOM 2024 CB ALA A 131 6.373 -15.941 0.730 1.00 0.00 C ATOM 0 H ALA A 131 6.821 -13.875 1.997 1.00 0.00 H new ATOM 0 HA ALA A 131 4.508 -15.217 1.501 1.00 0.00 H new ATOM 0 HB1 ALA A 131 5.936 -16.822 0.260 1.00 0.00 H new ATOM 0 HB2 ALA A 131 6.449 -15.139 -0.004 1.00 0.00 H new ATOM 0 HB3 ALA A 131 7.367 -16.185 1.105 1.00 0.00 H new