USER MOD reduce.3.24.130724 H: found=0, std=0, add=895, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 895 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 68 ASN : amide:sc= -0.0653 K(o=-0.31,f=-0.96) USER MOD Set 1.2: A 72 LYS NZ :NH3+ -140:sc= -0.218 (180deg=-0.00544) USER MOD Set 1.3: A 122 LYS NZ :NH3+ -164:sc= -0.0234 (180deg=0) USER MOD Set 2.1: A 65 THR OG1 : rot -93:sc= -1.26! USER MOD Set 2.2: A 118 SER OG : rot 113:sc= 0.821 USER MOD Set 3.1: A 13 THR OG1 : rot 140:sc= -3.71! USER MOD Set 3.2: A 50 MET CE :methyl -111:sc= -4 (180deg=-3.51!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 ASN : amide:sc= -2.47! C(o=-2.5!,f=-7.1!) USER MOD Single : A 23 THR OG1 : rot 73:sc= 1.17 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -0.07 X(o=-0.07,f=-0.33) USER MOD Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN : amide:sc= -0.0404 K(o=-0.04,f=-1.4!) USER MOD Single : A 45 HIS : no HD1:sc= -0.0237 X(o=-0.024,f=-0.34) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -156:sc= -0.113 (180deg=-0.351) USER MOD Single : A 57 SER OG : rot 103:sc= -0.156 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 MET CE :methyl -161:sc= -5.25! (180deg=-8.28!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 CYS SG : rot -91:sc= -2.87! USER MOD Single : A 64 HIS : no HE2:sc= -3.77! C(o=-3.8!,f=-7.9!) USER MOD Single : A 75 ASN : amide:sc= -0.361 X(o=-0.36,f=-0.04) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ -152:sc= 0.666 (180deg=-0.141) USER MOD Single : A 81 THR OG1 : rot 140:sc= -1.92! USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 MET CE :methyl -147:sc= -4.97! (180deg=-9.41!) USER MOD Single : A 96 THR OG1 : rot 70:sc= 0.751 USER MOD Single : A 98 MET CE :methyl -148:sc= -6.19! (180deg=-10.4!) USER MOD Single : A 101 LYS NZ :NH3+ 133:sc= -2.16! (180deg=-4.27!) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= -0.0709 USER MOD Single : A 113 ASN : amide:sc= -0.259 K(o=-0.26,f=-1.7!) USER MOD Single : A 120 THR OG1 : rot 96:sc= 0.185 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 114 N VAL A 8 8.089 -17.735 3.344 1.00 0.00 N ATOM 115 CA VAL A 8 9.111 -16.666 3.157 1.00 0.00 C ATOM 116 C VAL A 8 8.589 -15.602 2.204 1.00 0.00 C ATOM 117 O VAL A 8 8.898 -14.433 2.324 1.00 0.00 O ATOM 118 CB VAL A 8 10.336 -17.365 2.569 1.00 0.00 C ATOM 119 CG1 VAL A 8 11.363 -16.314 2.143 1.00 0.00 C ATOM 120 CG2 VAL A 8 10.953 -18.285 3.626 1.00 0.00 C ATOM 0 HA VAL A 8 9.351 -16.164 4.094 1.00 0.00 H new ATOM 0 HB VAL A 8 10.040 -17.956 1.703 1.00 0.00 H new ATOM 0 HG11 VAL A 8 12.238 -16.810 1.723 1.00 0.00 H new ATOM 0 HG12 VAL A 8 10.922 -15.658 1.392 1.00 0.00 H new ATOM 0 HG13 VAL A 8 11.661 -15.724 3.010 1.00 0.00 H new ATOM 0 HG21 VAL A 8 11.827 -18.784 3.208 1.00 0.00 H new ATOM 0 HG22 VAL A 8 11.252 -17.695 4.492 1.00 0.00 H new ATOM 0 HG23 VAL A 8 10.220 -19.032 3.931 1.00 0.00 H new ATOM 130 N PHE A 9 7.789 -15.999 1.269 1.00 0.00 N ATOM 131 CA PHE A 9 7.224 -15.010 0.311 1.00 0.00 C ATOM 132 C PHE A 9 6.346 -14.025 1.082 1.00 0.00 C ATOM 133 O PHE A 9 6.440 -12.824 0.915 1.00 0.00 O ATOM 134 CB PHE A 9 6.394 -15.827 -0.679 1.00 0.00 C ATOM 135 CG PHE A 9 7.050 -15.776 -2.037 1.00 0.00 C ATOM 136 CD1 PHE A 9 7.575 -14.568 -2.513 1.00 0.00 C ATOM 137 CD2 PHE A 9 7.137 -16.933 -2.819 1.00 0.00 C ATOM 138 CE1 PHE A 9 8.187 -14.518 -3.772 1.00 0.00 C ATOM 139 CE2 PHE A 9 7.749 -16.883 -4.078 1.00 0.00 C ATOM 140 CZ PHE A 9 8.273 -15.676 -4.554 1.00 0.00 C ATOM 0 H PHE A 9 7.498 -16.965 1.121 1.00 0.00 H new ATOM 0 HA PHE A 9 7.990 -14.434 -0.209 1.00 0.00 H new ATOM 0 HB2 PHE A 9 6.314 -16.860 -0.339 1.00 0.00 H new ATOM 0 HB3 PHE A 9 5.380 -15.430 -0.736 1.00 0.00 H new ATOM 0 HD1 PHE A 9 7.508 -13.675 -1.909 1.00 0.00 H new ATOM 0 HD2 PHE A 9 6.732 -17.865 -2.452 1.00 0.00 H new ATOM 0 HE1 PHE A 9 8.592 -13.587 -4.139 1.00 0.00 H new ATOM 0 HE2 PHE A 9 7.816 -17.776 -4.681 1.00 0.00 H new ATOM 0 HZ PHE A 9 8.744 -15.638 -5.525 1.00 0.00 H new ATOM 150 N VAL A 10 5.508 -14.528 1.946 1.00 0.00 N ATOM 151 CA VAL A 10 4.641 -13.626 2.749 1.00 0.00 C ATOM 152 C VAL A 10 5.476 -12.977 3.854 1.00 0.00 C ATOM 153 O VAL A 10 5.270 -11.834 4.211 1.00 0.00 O ATOM 154 CB VAL A 10 3.558 -14.526 3.343 1.00 0.00 C ATOM 155 CG1 VAL A 10 2.572 -13.677 4.146 1.00 0.00 C ATOM 156 CG2 VAL A 10 2.812 -15.237 2.211 1.00 0.00 C ATOM 0 H VAL A 10 5.387 -15.524 2.129 1.00 0.00 H new ATOM 0 HA VAL A 10 4.204 -12.824 2.155 1.00 0.00 H new ATOM 0 HB VAL A 10 4.019 -15.265 3.999 1.00 0.00 H new ATOM 0 HG11 VAL A 10 1.800 -14.319 4.569 1.00 0.00 H new ATOM 0 HG12 VAL A 10 3.102 -13.168 4.951 1.00 0.00 H new ATOM 0 HG13 VAL A 10 2.110 -12.938 3.491 1.00 0.00 H new ATOM 0 HG21 VAL A 10 2.039 -15.880 2.632 1.00 0.00 H new ATOM 0 HG22 VAL A 10 2.352 -14.496 1.557 1.00 0.00 H new ATOM 0 HG23 VAL A 10 3.514 -15.842 1.637 1.00 0.00 H new ATOM 166 N ASP A 11 6.435 -13.692 4.388 1.00 0.00 N ATOM 167 CA ASP A 11 7.291 -13.098 5.453 1.00 0.00 C ATOM 168 C ASP A 11 7.926 -11.822 4.919 1.00 0.00 C ATOM 169 O ASP A 11 8.301 -10.931 5.656 1.00 0.00 O ATOM 170 CB ASP A 11 8.356 -14.151 5.762 1.00 0.00 C ATOM 171 CG ASP A 11 9.463 -13.523 6.608 1.00 0.00 C ATOM 172 OD1 ASP A 11 9.141 -12.927 7.623 1.00 0.00 O ATOM 173 OD2 ASP A 11 10.615 -13.647 6.227 1.00 0.00 O ATOM 0 H ASP A 11 6.659 -14.654 4.133 1.00 0.00 H new ATOM 0 HA ASP A 11 6.730 -12.839 6.351 1.00 0.00 H new ATOM 0 HB2 ASP A 11 7.909 -14.991 6.294 1.00 0.00 H new ATOM 0 HB3 ASP A 11 8.772 -14.546 4.835 1.00 0.00 H new ATOM 178 N GLU A 12 8.013 -11.729 3.630 1.00 0.00 N ATOM 179 CA GLU A 12 8.584 -10.510 2.996 1.00 0.00 C ATOM 180 C GLU A 12 7.455 -9.507 2.797 1.00 0.00 C ATOM 181 O GLU A 12 7.650 -8.309 2.816 1.00 0.00 O ATOM 182 CB GLU A 12 9.145 -10.975 1.652 1.00 0.00 C ATOM 183 CG GLU A 12 10.495 -11.655 1.875 1.00 0.00 C ATOM 184 CD GLU A 12 10.941 -12.349 0.587 1.00 0.00 C ATOM 185 OE1 GLU A 12 10.305 -12.131 -0.431 1.00 0.00 O ATOM 186 OE2 GLU A 12 11.912 -13.085 0.640 1.00 0.00 O ATOM 0 H GLU A 12 7.711 -12.452 2.977 1.00 0.00 H new ATOM 0 HA GLU A 12 9.361 -10.034 3.594 1.00 0.00 H new ATOM 0 HB2 GLU A 12 8.451 -11.667 1.175 1.00 0.00 H new ATOM 0 HB3 GLU A 12 9.260 -10.125 0.979 1.00 0.00 H new ATOM 0 HG2 GLU A 12 11.239 -10.918 2.179 1.00 0.00 H new ATOM 0 HG3 GLU A 12 10.418 -12.382 2.683 1.00 0.00 H new ATOM 193 N THR A 13 6.263 -10.007 2.624 1.00 0.00 N ATOM 194 CA THR A 13 5.090 -9.113 2.443 1.00 0.00 C ATOM 195 C THR A 13 4.794 -8.392 3.763 1.00 0.00 C ATOM 196 O THR A 13 4.461 -7.225 3.780 1.00 0.00 O ATOM 197 CB THR A 13 3.947 -10.058 2.053 1.00 0.00 C ATOM 198 OG1 THR A 13 3.979 -10.277 0.649 1.00 0.00 O ATOM 199 CG2 THR A 13 2.599 -9.447 2.439 1.00 0.00 C ATOM 0 H THR A 13 6.052 -11.005 2.600 1.00 0.00 H new ATOM 0 HA THR A 13 5.244 -8.340 1.690 1.00 0.00 H new ATOM 0 HB THR A 13 4.071 -11.003 2.581 1.00 0.00 H new ATOM 0 HG1 THR A 13 3.781 -11.218 0.460 1.00 0.00 H new ATOM 0 HG21 THR A 13 1.796 -10.128 2.156 1.00 0.00 H new ATOM 0 HG22 THR A 13 2.570 -9.279 3.516 1.00 0.00 H new ATOM 0 HG23 THR A 13 2.468 -8.497 1.920 1.00 0.00 H new ATOM 207 N LYS A 14 4.924 -9.075 4.870 1.00 0.00 N ATOM 208 CA LYS A 14 4.659 -8.421 6.183 1.00 0.00 C ATOM 209 C LYS A 14 5.799 -7.463 6.525 1.00 0.00 C ATOM 210 O LYS A 14 5.584 -6.378 7.028 1.00 0.00 O ATOM 211 CB LYS A 14 4.596 -9.563 7.198 1.00 0.00 C ATOM 212 CG LYS A 14 3.405 -10.469 6.881 1.00 0.00 C ATOM 213 CD LYS A 14 3.787 -11.924 7.161 1.00 0.00 C ATOM 214 CE LYS A 14 2.570 -12.679 7.699 1.00 0.00 C ATOM 215 NZ LYS A 14 3.132 -13.693 8.634 1.00 0.00 N ATOM 0 H LYS A 14 5.202 -10.055 4.921 1.00 0.00 H new ATOM 0 HA LYS A 14 3.738 -7.838 6.176 1.00 0.00 H new ATOM 0 HB2 LYS A 14 5.521 -10.139 7.170 1.00 0.00 H new ATOM 0 HB3 LYS A 14 4.501 -9.161 8.207 1.00 0.00 H new ATOM 0 HG2 LYS A 14 2.545 -10.184 7.487 1.00 0.00 H new ATOM 0 HG3 LYS A 14 3.112 -10.352 5.838 1.00 0.00 H new ATOM 0 HD2 LYS A 14 4.148 -12.398 6.248 1.00 0.00 H new ATOM 0 HD3 LYS A 14 4.602 -11.964 7.884 1.00 0.00 H new ATOM 0 HE2 LYS A 14 1.883 -12.006 8.212 1.00 0.00 H new ATOM 0 HE3 LYS A 14 2.010 -13.152 6.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 2.358 -14.253 9.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 3.777 -14.323 8.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 3.654 -13.212 9.395 1.00 0.00 H new ATOM 229 N GLU A 15 7.014 -7.850 6.245 1.00 0.00 N ATOM 230 CA GLU A 15 8.162 -6.954 6.545 1.00 0.00 C ATOM 231 C GLU A 15 8.064 -5.708 5.668 1.00 0.00 C ATOM 232 O GLU A 15 8.623 -4.670 5.962 1.00 0.00 O ATOM 233 CB GLU A 15 9.408 -7.805 6.235 1.00 0.00 C ATOM 234 CG GLU A 15 10.250 -7.174 5.117 1.00 0.00 C ATOM 235 CD GLU A 15 11.571 -7.933 4.984 1.00 0.00 C ATOM 236 OE1 GLU A 15 11.541 -9.151 5.050 1.00 0.00 O ATOM 237 OE2 GLU A 15 12.590 -7.285 4.817 1.00 0.00 O ATOM 0 H GLU A 15 7.259 -8.746 5.823 1.00 0.00 H new ATOM 0 HA GLU A 15 8.191 -6.597 7.574 1.00 0.00 H new ATOM 0 HB2 GLU A 15 10.014 -7.908 7.135 1.00 0.00 H new ATOM 0 HB3 GLU A 15 9.102 -8.809 5.940 1.00 0.00 H new ATOM 0 HG2 GLU A 15 9.704 -7.205 4.174 1.00 0.00 H new ATOM 0 HG3 GLU A 15 10.442 -6.124 5.340 1.00 0.00 H new ATOM 244 N TYR A 16 7.344 -5.819 4.599 1.00 0.00 N ATOM 245 CA TYR A 16 7.175 -4.667 3.676 1.00 0.00 C ATOM 246 C TYR A 16 5.981 -3.816 4.112 1.00 0.00 C ATOM 247 O TYR A 16 6.023 -2.606 4.055 1.00 0.00 O ATOM 248 CB TYR A 16 6.924 -5.290 2.304 1.00 0.00 C ATOM 249 CG TYR A 16 8.054 -4.922 1.373 1.00 0.00 C ATOM 250 CD1 TYR A 16 9.376 -4.936 1.835 1.00 0.00 C ATOM 251 CD2 TYR A 16 7.780 -4.566 0.047 1.00 0.00 C ATOM 252 CE1 TYR A 16 10.423 -4.595 0.972 1.00 0.00 C ATOM 253 CE2 TYR A 16 8.828 -4.226 -0.817 1.00 0.00 C ATOM 254 CZ TYR A 16 10.149 -4.240 -0.354 1.00 0.00 C ATOM 255 OH TYR A 16 11.182 -3.905 -1.205 1.00 0.00 O ATOM 0 H TYR A 16 6.856 -6.670 4.317 1.00 0.00 H new ATOM 0 HA TYR A 16 8.045 -4.011 3.668 1.00 0.00 H new ATOM 0 HB2 TYR A 16 6.849 -6.374 2.393 1.00 0.00 H new ATOM 0 HB3 TYR A 16 5.975 -4.937 1.900 1.00 0.00 H new ATOM 0 HD1 TYR A 16 9.587 -5.210 2.858 1.00 0.00 H new ATOM 0 HD2 TYR A 16 6.761 -4.554 -0.309 1.00 0.00 H new ATOM 0 HE1 TYR A 16 11.442 -4.606 1.329 1.00 0.00 H new ATOM 0 HE2 TYR A 16 8.617 -3.953 -1.840 1.00 0.00 H new ATOM 0 HH TYR A 16 10.820 -3.686 -2.089 1.00 0.00 H new ATOM 265 N LEU A 17 4.920 -4.431 4.563 1.00 0.00 N ATOM 266 CA LEU A 17 3.746 -3.630 5.013 1.00 0.00 C ATOM 267 C LEU A 17 4.202 -2.667 6.100 1.00 0.00 C ATOM 268 O LEU A 17 3.832 -1.510 6.127 1.00 0.00 O ATOM 269 CB LEU A 17 2.750 -4.643 5.571 1.00 0.00 C ATOM 270 CG LEU A 17 2.193 -5.478 4.423 1.00 0.00 C ATOM 271 CD1 LEU A 17 1.544 -6.747 4.977 1.00 0.00 C ATOM 272 CD2 LEU A 17 1.147 -4.659 3.665 1.00 0.00 C ATOM 0 H LEU A 17 4.816 -5.443 4.639 1.00 0.00 H new ATOM 0 HA LEU A 17 3.298 -3.044 4.211 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.238 -5.287 6.302 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.941 -4.129 6.089 1.00 0.00 H new ATOM 0 HG LEU A 17 3.003 -5.754 3.748 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.147 -7.342 4.154 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.289 -7.330 5.519 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.733 -6.476 5.653 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.746 -5.252 2.843 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.339 -4.385 4.343 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.610 -3.756 3.268 1.00 0.00 H new ATOM 284 N GLN A 18 5.037 -3.139 6.979 1.00 0.00 N ATOM 285 CA GLN A 18 5.562 -2.261 8.050 1.00 0.00 C ATOM 286 C GLN A 18 6.433 -1.214 7.391 1.00 0.00 C ATOM 287 O GLN A 18 6.298 -0.028 7.611 1.00 0.00 O ATOM 288 CB GLN A 18 6.351 -3.206 8.955 1.00 0.00 C ATOM 289 CG GLN A 18 7.825 -2.793 9.059 1.00 0.00 C ATOM 290 CD GLN A 18 8.458 -3.455 10.284 1.00 0.00 C ATOM 291 OE1 GLN A 18 8.914 -4.579 10.216 1.00 0.00 O ATOM 292 NE2 GLN A 18 8.506 -2.800 11.412 1.00 0.00 N ATOM 0 H GLN A 18 5.378 -4.100 7.000 1.00 0.00 H new ATOM 0 HA GLN A 18 4.807 -1.730 8.630 1.00 0.00 H new ATOM 0 HB2 GLN A 18 5.905 -3.215 9.949 1.00 0.00 H new ATOM 0 HB3 GLN A 18 6.284 -4.222 8.566 1.00 0.00 H new ATOM 0 HG2 GLN A 18 8.360 -3.088 8.156 1.00 0.00 H new ATOM 0 HG3 GLN A 18 7.905 -1.709 9.137 1.00 0.00 H new ATOM 0 HE21 GLN A 18 8.124 -1.856 11.470 1.00 0.00 H new ATOM 0 HE22 GLN A 18 8.926 -3.232 12.235 1.00 0.00 H new ATOM 301 N ASN A 19 7.279 -1.663 6.533 1.00 0.00 N ATOM 302 CA ASN A 19 8.131 -0.723 5.778 1.00 0.00 C ATOM 303 C ASN A 19 7.199 0.188 4.994 1.00 0.00 C ATOM 304 O ASN A 19 7.518 1.314 4.662 1.00 0.00 O ATOM 305 CB ASN A 19 8.971 -1.607 4.851 1.00 0.00 C ATOM 306 CG ASN A 19 9.450 -0.793 3.648 1.00 0.00 C ATOM 307 OD1 ASN A 19 9.173 -1.137 2.517 1.00 0.00 O ATOM 308 ND2 ASN A 19 10.164 0.282 3.846 1.00 0.00 N ATOM 0 H ASN A 19 7.422 -2.649 6.317 1.00 0.00 H new ATOM 0 HA ASN A 19 8.780 -0.101 6.394 1.00 0.00 H new ATOM 0 HB2 ASN A 19 9.827 -2.008 5.394 1.00 0.00 H new ATOM 0 HB3 ASN A 19 8.381 -2.459 4.513 1.00 0.00 H new ATOM 0 HD21 ASN A 19 10.489 0.832 3.051 1.00 0.00 H new ATOM 0 HD22 ASN A 19 10.397 0.572 4.796 1.00 0.00 H new ATOM 315 N LEU A 20 6.025 -0.304 4.733 1.00 0.00 N ATOM 316 CA LEU A 20 5.010 0.498 4.004 1.00 0.00 C ATOM 317 C LEU A 20 4.145 1.245 5.010 1.00 0.00 C ATOM 318 O LEU A 20 3.427 2.165 4.674 1.00 0.00 O ATOM 319 CB LEU A 20 4.182 -0.512 3.210 1.00 0.00 C ATOM 320 CG LEU A 20 2.885 0.146 2.738 1.00 0.00 C ATOM 321 CD1 LEU A 20 3.199 1.169 1.644 1.00 0.00 C ATOM 322 CD2 LEU A 20 1.946 -0.924 2.181 1.00 0.00 C ATOM 0 H LEU A 20 5.721 -1.241 4.998 1.00 0.00 H new ATOM 0 HA LEU A 20 5.456 1.241 3.343 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.752 -0.871 2.353 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.957 -1.380 3.830 1.00 0.00 H new ATOM 0 HG LEU A 20 2.406 0.649 3.578 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.274 1.638 1.308 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.869 1.932 2.041 1.00 0.00 H new ATOM 0 HD13 LEU A 20 3.678 0.667 0.803 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.021 -0.456 1.844 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.425 -1.427 1.341 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.722 -1.652 2.960 1.00 0.00 H new ATOM 334 N ASN A 21 4.249 0.883 6.256 1.00 0.00 N ATOM 335 CA ASN A 21 3.488 1.590 7.300 1.00 0.00 C ATOM 336 C ASN A 21 4.391 2.678 7.806 1.00 0.00 C ATOM 337 O ASN A 21 3.968 3.734 8.231 1.00 0.00 O ATOM 338 CB ASN A 21 3.209 0.554 8.384 1.00 0.00 C ATOM 339 CG ASN A 21 1.902 -0.177 8.073 1.00 0.00 C ATOM 340 OD1 ASN A 21 1.061 0.335 7.362 1.00 0.00 O ATOM 341 ND2 ASN A 21 1.698 -1.364 8.576 1.00 0.00 N ATOM 0 H ASN A 21 4.836 0.119 6.591 1.00 0.00 H new ATOM 0 HA ASN A 21 2.549 2.027 6.960 1.00 0.00 H new ATOM 0 HB2 ASN A 21 4.032 -0.159 8.440 1.00 0.00 H new ATOM 0 HB3 ASN A 21 3.142 1.040 9.357 1.00 0.00 H new ATOM 0 HD21 ASN A 21 0.832 -1.862 8.372 1.00 0.00 H new ATOM 0 HD22 ASN A 21 2.405 -1.793 9.173 1.00 0.00 H new ATOM 348 N ASP A 22 5.658 2.419 7.721 1.00 0.00 N ATOM 349 CA ASP A 22 6.639 3.421 8.153 1.00 0.00 C ATOM 350 C ASP A 22 6.644 4.533 7.131 1.00 0.00 C ATOM 351 O ASP A 22 6.828 5.697 7.427 1.00 0.00 O ATOM 352 CB ASP A 22 7.986 2.699 8.213 1.00 0.00 C ATOM 353 CG ASP A 22 8.206 2.145 9.621 1.00 0.00 C ATOM 354 OD1 ASP A 22 7.223 1.887 10.295 1.00 0.00 O ATOM 355 OD2 ASP A 22 9.355 1.988 10.002 1.00 0.00 O ATOM 0 H ASP A 22 6.053 1.548 7.367 1.00 0.00 H new ATOM 0 HA ASP A 22 6.414 3.858 9.126 1.00 0.00 H new ATOM 0 HB2 ASP A 22 8.009 1.889 7.484 1.00 0.00 H new ATOM 0 HB3 ASP A 22 8.791 3.386 7.951 1.00 0.00 H new ATOM 360 N THR A 23 6.393 4.152 5.930 1.00 0.00 N ATOM 361 CA THR A 23 6.314 5.121 4.818 1.00 0.00 C ATOM 362 C THR A 23 4.955 5.801 4.859 1.00 0.00 C ATOM 363 O THR A 23 4.820 6.978 4.605 1.00 0.00 O ATOM 364 CB THR A 23 6.371 4.243 3.589 1.00 0.00 C ATOM 365 OG1 THR A 23 7.606 3.541 3.558 1.00 0.00 O ATOM 366 CG2 THR A 23 6.218 5.095 2.330 1.00 0.00 C ATOM 0 H THR A 23 6.234 3.182 5.659 1.00 0.00 H new ATOM 0 HA THR A 23 7.091 5.885 4.850 1.00 0.00 H new ATOM 0 HB THR A 23 5.554 3.523 3.626 1.00 0.00 H new ATOM 0 HG1 THR A 23 7.596 2.832 4.234 1.00 0.00 H new ATOM 0 HG21 THR A 23 6.260 4.454 1.449 1.00 0.00 H new ATOM 0 HG22 THR A 23 5.259 5.613 2.356 1.00 0.00 H new ATOM 0 HG23 THR A 23 7.025 5.826 2.285 1.00 0.00 H new ATOM 374 N LEU A 24 3.944 5.037 5.175 1.00 0.00 N ATOM 375 CA LEU A 24 2.571 5.592 5.232 1.00 0.00 C ATOM 376 C LEU A 24 2.369 6.308 6.550 1.00 0.00 C ATOM 377 O LEU A 24 1.600 7.245 6.645 1.00 0.00 O ATOM 378 CB LEU A 24 1.642 4.380 5.135 1.00 0.00 C ATOM 379 CG LEU A 24 1.429 4.013 3.667 1.00 0.00 C ATOM 380 CD1 LEU A 24 0.470 2.826 3.570 1.00 0.00 C ATOM 381 CD2 LEU A 24 0.833 5.212 2.926 1.00 0.00 C ATOM 0 H LEU A 24 4.017 4.044 5.397 1.00 0.00 H new ATOM 0 HA LEU A 24 2.378 6.310 4.435 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.073 3.535 5.673 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.685 4.604 5.607 1.00 0.00 H new ATOM 0 HG LEU A 24 2.385 3.744 3.217 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.319 2.565 2.523 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.893 1.972 4.099 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.487 3.093 4.019 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.680 4.953 1.878 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.123 5.480 3.377 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.516 6.058 2.994 1.00 0.00 H new ATOM 393 N LEU A 25 3.057 5.897 7.575 1.00 0.00 N ATOM 394 CA LEU A 25 2.869 6.616 8.865 1.00 0.00 C ATOM 395 C LEU A 25 3.775 7.828 8.906 1.00 0.00 C ATOM 396 O LEU A 25 3.568 8.754 9.657 1.00 0.00 O ATOM 397 CB LEU A 25 3.179 5.621 9.965 1.00 0.00 C ATOM 398 CG LEU A 25 4.673 5.520 10.157 1.00 0.00 C ATOM 399 CD1 LEU A 25 5.157 6.666 11.047 1.00 0.00 C ATOM 400 CD2 LEU A 25 4.996 4.181 10.817 1.00 0.00 C ATOM 0 H LEU A 25 3.720 5.122 7.581 1.00 0.00 H new ATOM 0 HA LEU A 25 1.852 6.987 8.989 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.704 5.933 10.895 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.769 4.644 9.710 1.00 0.00 H new ATOM 0 HG LEU A 25 5.175 5.586 9.192 1.00 0.00 H new ATOM 0 HD11 LEU A 25 6.236 6.590 11.184 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.917 7.619 10.576 1.00 0.00 H new ATOM 0 HD13 LEU A 25 4.663 6.607 12.017 1.00 0.00 H new ATOM 0 HD21 LEU A 25 6.073 4.097 10.961 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.495 4.121 11.783 1.00 0.00 H new ATOM 0 HD23 LEU A 25 4.650 3.368 10.179 1.00 0.00 H new ATOM 412 N GLU A 26 4.727 7.852 8.043 1.00 0.00 N ATOM 413 CA GLU A 26 5.609 9.031 7.942 1.00 0.00 C ATOM 414 C GLU A 26 4.985 9.906 6.892 1.00 0.00 C ATOM 415 O GLU A 26 5.036 11.119 6.930 1.00 0.00 O ATOM 416 CB GLU A 26 6.975 8.505 7.503 1.00 0.00 C ATOM 417 CG GLU A 26 7.658 7.817 8.686 1.00 0.00 C ATOM 418 CD GLU A 26 7.925 8.844 9.786 1.00 0.00 C ATOM 419 OE1 GLU A 26 8.012 10.018 9.464 1.00 0.00 O ATOM 420 OE2 GLU A 26 8.037 8.441 10.932 1.00 0.00 O ATOM 0 H GLU A 26 4.939 7.096 7.391 1.00 0.00 H new ATOM 0 HA GLU A 26 5.729 9.596 8.866 1.00 0.00 H new ATOM 0 HB2 GLU A 26 6.859 7.803 6.677 1.00 0.00 H new ATOM 0 HB3 GLU A 26 7.593 9.326 7.139 1.00 0.00 H new ATOM 0 HG2 GLU A 26 7.027 7.015 9.068 1.00 0.00 H new ATOM 0 HG3 GLU A 26 8.594 7.361 8.364 1.00 0.00 H new ATOM 427 N LEU A 27 4.363 9.261 5.955 1.00 0.00 N ATOM 428 CA LEU A 27 3.682 9.982 4.880 1.00 0.00 C ATOM 429 C LEU A 27 2.575 10.836 5.480 1.00 0.00 C ATOM 430 O LEU A 27 2.206 11.859 4.947 1.00 0.00 O ATOM 431 CB LEU A 27 3.109 8.901 3.965 1.00 0.00 C ATOM 432 CG LEU A 27 2.161 9.535 2.953 1.00 0.00 C ATOM 433 CD1 LEU A 27 2.969 10.102 1.786 1.00 0.00 C ATOM 434 CD2 LEU A 27 1.196 8.469 2.437 1.00 0.00 C ATOM 0 H LEU A 27 4.302 8.245 5.896 1.00 0.00 H new ATOM 0 HA LEU A 27 4.345 10.648 4.328 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.917 8.384 3.447 1.00 0.00 H new ATOM 0 HB3 LEU A 27 2.579 8.154 4.556 1.00 0.00 H new ATOM 0 HG LEU A 27 1.599 10.340 3.427 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.293 10.556 1.062 1.00 0.00 H new ATOM 0 HD12 LEU A 27 3.663 10.856 2.157 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.528 9.299 1.307 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.515 8.915 1.713 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.760 7.668 1.959 1.00 0.00 H new ATOM 0 HD23 LEU A 27 0.624 8.062 3.271 1.00 0.00 H new ATOM 446 N GLU A 28 2.046 10.432 6.598 1.00 0.00 N ATOM 447 CA GLU A 28 0.983 11.249 7.226 1.00 0.00 C ATOM 448 C GLU A 28 1.615 12.545 7.727 1.00 0.00 C ATOM 449 O GLU A 28 1.084 13.623 7.550 1.00 0.00 O ATOM 450 CB GLU A 28 0.457 10.389 8.369 1.00 0.00 C ATOM 451 CG GLU A 28 1.268 10.635 9.640 1.00 0.00 C ATOM 452 CD GLU A 28 0.698 9.795 10.785 1.00 0.00 C ATOM 453 OE1 GLU A 28 -0.377 10.126 11.257 1.00 0.00 O ATOM 454 OE2 GLU A 28 1.346 8.835 11.169 1.00 0.00 O ATOM 0 H GLU A 28 2.302 9.580 7.098 1.00 0.00 H new ATOM 0 HA GLU A 28 0.172 11.524 6.552 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -0.593 10.618 8.551 1.00 0.00 H new ATOM 0 HB3 GLU A 28 0.511 9.336 8.094 1.00 0.00 H new ATOM 0 HG2 GLU A 28 2.313 10.377 9.472 1.00 0.00 H new ATOM 0 HG3 GLU A 28 1.239 11.693 9.902 1.00 0.00 H new ATOM 461 N LYS A 29 2.781 12.442 8.305 1.00 0.00 N ATOM 462 CA LYS A 29 3.483 13.669 8.762 1.00 0.00 C ATOM 463 C LYS A 29 4.070 14.334 7.532 1.00 0.00 C ATOM 464 O LYS A 29 4.424 15.496 7.527 1.00 0.00 O ATOM 465 CB LYS A 29 4.600 13.210 9.701 1.00 0.00 C ATOM 466 CG LYS A 29 4.048 12.243 10.744 1.00 0.00 C ATOM 467 CD LYS A 29 5.113 11.196 11.063 1.00 0.00 C ATOM 468 CE LYS A 29 4.456 9.974 11.711 1.00 0.00 C ATOM 469 NZ LYS A 29 4.741 10.088 13.172 1.00 0.00 N ATOM 0 H LYS A 29 3.273 11.566 8.479 1.00 0.00 H new ATOM 0 HA LYS A 29 2.826 14.370 9.277 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.391 12.726 9.128 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.047 14.073 10.195 1.00 0.00 H new ATOM 0 HG2 LYS A 29 3.769 12.784 11.648 1.00 0.00 H new ATOM 0 HG3 LYS A 29 3.145 11.760 10.370 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.632 10.901 10.151 1.00 0.00 H new ATOM 0 HD3 LYS A 29 5.862 11.617 11.734 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.383 9.960 11.522 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.863 9.049 11.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 4.318 9.281 13.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 5.770 10.090 13.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 4.335 10.973 13.537 1.00 0.00 H new ATOM 483 N ASN A 30 4.144 13.583 6.474 1.00 0.00 N ATOM 484 CA ASN A 30 4.676 14.128 5.195 1.00 0.00 C ATOM 485 C ASN A 30 3.901 13.509 4.057 1.00 0.00 C ATOM 486 O ASN A 30 4.363 12.616 3.373 1.00 0.00 O ATOM 487 CB ASN A 30 6.157 13.748 5.148 1.00 0.00 C ATOM 488 CG ASN A 30 6.991 14.858 5.789 1.00 0.00 C ATOM 489 OD1 ASN A 30 6.845 16.016 5.452 1.00 0.00 O ATOM 490 ND2 ASN A 30 7.867 14.553 6.707 1.00 0.00 N ATOM 0 H ASN A 30 3.856 12.605 6.438 1.00 0.00 H new ATOM 0 HA ASN A 30 4.573 15.210 5.116 1.00 0.00 H new ATOM 0 HB2 ASN A 30 6.319 12.807 5.675 1.00 0.00 H new ATOM 0 HB3 ASN A 30 6.471 13.593 4.116 1.00 0.00 H new ATOM 0 HD21 ASN A 30 8.428 15.286 7.140 1.00 0.00 H new ATOM 0 HD22 ASN A 30 7.991 13.581 6.991 1.00 0.00 H new ATOM 497 N PRO A 31 2.711 14.003 3.938 1.00 0.00 N ATOM 498 CA PRO A 31 1.772 13.510 2.930 1.00 0.00 C ATOM 499 C PRO A 31 1.953 14.248 1.604 1.00 0.00 C ATOM 500 O PRO A 31 1.145 14.136 0.703 1.00 0.00 O ATOM 501 CB PRO A 31 0.431 13.828 3.563 1.00 0.00 C ATOM 502 CG PRO A 31 0.660 14.985 4.485 1.00 0.00 C ATOM 503 CD PRO A 31 2.132 15.074 4.753 1.00 0.00 C ATOM 0 HA PRO A 31 1.899 12.455 2.686 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -0.308 14.079 2.802 1.00 0.00 H new ATOM 0 HB3 PRO A 31 0.046 12.967 4.109 1.00 0.00 H new ATOM 0 HG2 PRO A 31 0.297 15.909 4.035 1.00 0.00 H new ATOM 0 HG3 PRO A 31 0.110 14.846 5.416 1.00 0.00 H new ATOM 0 HD2 PRO A 31 2.530 16.049 4.471 1.00 0.00 H new ATOM 0 HD3 PRO A 31 2.353 14.933 5.811 1.00 0.00 H new ATOM 511 N GLU A 32 3.011 14.992 1.473 1.00 0.00 N ATOM 512 CA GLU A 32 3.256 15.727 0.202 1.00 0.00 C ATOM 513 C GLU A 32 4.651 15.386 -0.299 1.00 0.00 C ATOM 514 O GLU A 32 5.045 15.748 -1.390 1.00 0.00 O ATOM 515 CB GLU A 32 3.150 17.224 0.540 1.00 0.00 C ATOM 516 CG GLU A 32 2.483 17.416 1.906 1.00 0.00 C ATOM 517 CD GLU A 32 2.485 18.901 2.274 1.00 0.00 C ATOM 518 OE1 GLU A 32 1.772 19.651 1.629 1.00 0.00 O ATOM 519 OE2 GLU A 32 3.201 19.262 3.194 1.00 0.00 O ATOM 0 H GLU A 32 3.721 15.124 2.193 1.00 0.00 H new ATOM 0 HA GLU A 32 2.541 15.460 -0.576 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.143 17.673 0.546 1.00 0.00 H new ATOM 0 HB3 GLU A 32 2.573 17.737 -0.229 1.00 0.00 H new ATOM 0 HG2 GLU A 32 1.461 17.039 1.879 1.00 0.00 H new ATOM 0 HG3 GLU A 32 3.014 16.842 2.665 1.00 0.00 H new ATOM 526 N ASP A 33 5.398 14.677 0.497 1.00 0.00 N ATOM 527 CA ASP A 33 6.764 14.290 0.086 1.00 0.00 C ATOM 528 C ASP A 33 6.684 13.164 -0.945 1.00 0.00 C ATOM 529 O ASP A 33 6.053 12.150 -0.721 1.00 0.00 O ATOM 530 CB ASP A 33 7.446 13.809 1.367 1.00 0.00 C ATOM 531 CG ASP A 33 8.685 14.664 1.637 1.00 0.00 C ATOM 532 OD1 ASP A 33 8.522 15.850 1.877 1.00 0.00 O ATOM 533 OD2 ASP A 33 9.777 14.120 1.601 1.00 0.00 O ATOM 0 H ASP A 33 5.115 14.349 1.420 1.00 0.00 H new ATOM 0 HA ASP A 33 7.315 15.111 -0.373 1.00 0.00 H new ATOM 0 HB2 ASP A 33 6.755 13.876 2.207 1.00 0.00 H new ATOM 0 HB3 ASP A 33 7.729 12.761 1.270 1.00 0.00 H new ATOM 538 N MET A 34 7.300 13.335 -2.079 1.00 0.00 N ATOM 539 CA MET A 34 7.235 12.275 -3.122 1.00 0.00 C ATOM 540 C MET A 34 8.075 11.062 -2.722 1.00 0.00 C ATOM 541 O MET A 34 8.136 10.083 -3.439 1.00 0.00 O ATOM 542 CB MET A 34 7.793 12.928 -4.387 1.00 0.00 C ATOM 543 CG MET A 34 6.977 14.181 -4.716 1.00 0.00 C ATOM 544 SD MET A 34 6.473 14.133 -6.453 1.00 0.00 S ATOM 545 CE MET A 34 4.833 14.866 -6.234 1.00 0.00 C ATOM 0 H MET A 34 7.845 14.160 -2.329 1.00 0.00 H new ATOM 0 HA MET A 34 6.219 11.908 -3.265 1.00 0.00 H new ATOM 0 HB2 MET A 34 8.841 13.191 -4.242 1.00 0.00 H new ATOM 0 HB3 MET A 34 7.753 12.226 -5.220 1.00 0.00 H new ATOM 0 HG2 MET A 34 6.099 14.235 -4.073 1.00 0.00 H new ATOM 0 HG3 MET A 34 7.570 15.075 -4.523 1.00 0.00 H new ATOM 0 HE1 MET A 34 4.333 14.933 -7.200 1.00 0.00 H new ATOM 0 HE2 MET A 34 4.243 14.243 -5.562 1.00 0.00 H new ATOM 0 HE3 MET A 34 4.935 15.864 -5.808 1.00 0.00 H new ATOM 555 N GLU A 35 8.707 11.096 -1.581 1.00 0.00 N ATOM 556 CA GLU A 35 9.512 9.916 -1.163 1.00 0.00 C ATOM 557 C GLU A 35 8.609 8.942 -0.413 1.00 0.00 C ATOM 558 O GLU A 35 8.589 7.760 -0.693 1.00 0.00 O ATOM 559 CB GLU A 35 10.625 10.465 -0.266 1.00 0.00 C ATOM 560 CG GLU A 35 10.061 10.845 1.102 1.00 0.00 C ATOM 561 CD GLU A 35 11.178 11.430 1.968 1.00 0.00 C ATOM 562 OE1 GLU A 35 12.049 12.083 1.417 1.00 0.00 O ATOM 563 OE2 GLU A 35 11.144 11.214 3.168 1.00 0.00 O ATOM 0 H GLU A 35 8.701 11.880 -0.928 1.00 0.00 H new ATOM 0 HA GLU A 35 9.941 9.374 -2.005 1.00 0.00 H new ATOM 0 HB2 GLU A 35 11.410 9.718 -0.149 1.00 0.00 H new ATOM 0 HB3 GLU A 35 11.082 11.337 -0.734 1.00 0.00 H new ATOM 0 HG2 GLU A 35 9.257 11.572 0.987 1.00 0.00 H new ATOM 0 HG3 GLU A 35 9.631 9.968 1.587 1.00 0.00 H new ATOM 570 N LEU A 36 7.826 9.430 0.507 1.00 0.00 N ATOM 571 CA LEU A 36 6.895 8.524 1.223 1.00 0.00 C ATOM 572 C LEU A 36 5.756 8.195 0.272 1.00 0.00 C ATOM 573 O LEU A 36 5.110 7.171 0.373 1.00 0.00 O ATOM 574 CB LEU A 36 6.381 9.311 2.430 1.00 0.00 C ATOM 575 CG LEU A 36 7.534 9.596 3.386 1.00 0.00 C ATOM 576 CD1 LEU A 36 7.045 10.487 4.528 1.00 0.00 C ATOM 577 CD2 LEU A 36 8.063 8.278 3.958 1.00 0.00 C ATOM 0 H LEU A 36 7.792 10.409 0.791 1.00 0.00 H new ATOM 0 HA LEU A 36 7.363 7.595 1.549 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.929 10.247 2.101 1.00 0.00 H new ATOM 0 HB3 LEU A 36 5.603 8.744 2.942 1.00 0.00 H new ATOM 0 HG LEU A 36 8.333 10.104 2.846 1.00 0.00 H new ATOM 0 HD11 LEU A 36 7.870 10.690 5.210 1.00 0.00 H new ATOM 0 HD12 LEU A 36 6.671 11.427 4.122 1.00 0.00 H new ATOM 0 HD13 LEU A 36 6.244 9.981 5.067 1.00 0.00 H new ATOM 0 HD21 LEU A 36 8.887 8.483 4.641 1.00 0.00 H new ATOM 0 HD22 LEU A 36 7.264 7.768 4.496 1.00 0.00 H new ATOM 0 HD23 LEU A 36 8.415 7.644 3.145 1.00 0.00 H new ATOM 589 N ILE A 37 5.525 9.061 -0.675 1.00 0.00 N ATOM 590 CA ILE A 37 4.451 8.812 -1.664 1.00 0.00 C ATOM 591 C ILE A 37 4.934 7.761 -2.662 1.00 0.00 C ATOM 592 O ILE A 37 4.171 6.946 -3.139 1.00 0.00 O ATOM 593 CB ILE A 37 4.232 10.163 -2.343 1.00 0.00 C ATOM 594 CG1 ILE A 37 3.358 11.036 -1.443 1.00 0.00 C ATOM 595 CG2 ILE A 37 3.543 9.965 -3.694 1.00 0.00 C ATOM 596 CD1 ILE A 37 2.974 12.317 -2.185 1.00 0.00 C ATOM 0 H ILE A 37 6.039 9.933 -0.803 1.00 0.00 H new ATOM 0 HA ILE A 37 3.528 8.437 -1.222 1.00 0.00 H new ATOM 0 HB ILE A 37 5.194 10.648 -2.507 1.00 0.00 H new ATOM 0 HG12 ILE A 37 2.461 10.490 -1.151 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.894 11.282 -0.526 1.00 0.00 H new ATOM 0 HG21 ILE A 37 3.391 10.934 -4.170 1.00 0.00 H new ATOM 0 HG22 ILE A 37 4.167 9.340 -4.333 1.00 0.00 H new ATOM 0 HG23 ILE A 37 2.579 9.480 -3.543 1.00 0.00 H new ATOM 0 HD11 ILE A 37 2.351 12.938 -1.541 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.876 12.866 -2.455 1.00 0.00 H new ATOM 0 HD13 ILE A 37 2.421 12.062 -3.089 1.00 0.00 H new ATOM 608 N ASN A 38 6.207 7.763 -2.968 1.00 0.00 N ATOM 609 CA ASN A 38 6.733 6.747 -3.921 1.00 0.00 C ATOM 610 C ASN A 38 7.200 5.519 -3.155 1.00 0.00 C ATOM 611 O ASN A 38 7.229 4.418 -3.672 1.00 0.00 O ATOM 612 CB ASN A 38 7.897 7.422 -4.646 1.00 0.00 C ATOM 613 CG ASN A 38 8.051 6.811 -6.040 1.00 0.00 C ATOM 614 OD1 ASN A 38 7.527 5.749 -6.312 1.00 0.00 O ATOM 615 ND2 ASN A 38 8.753 7.442 -6.942 1.00 0.00 N ATOM 0 H ASN A 38 6.897 8.419 -2.602 1.00 0.00 H new ATOM 0 HA ASN A 38 5.976 6.412 -4.630 1.00 0.00 H new ATOM 0 HB2 ASN A 38 7.718 8.494 -4.725 1.00 0.00 H new ATOM 0 HB3 ASN A 38 8.818 7.294 -4.077 1.00 0.00 H new ATOM 0 HD21 ASN A 38 8.861 7.043 -7.875 1.00 0.00 H new ATOM 0 HD22 ASN A 38 9.193 8.334 -6.714 1.00 0.00 H new ATOM 622 N GLU A 39 7.539 5.695 -1.919 1.00 0.00 N ATOM 623 CA GLU A 39 7.976 4.534 -1.099 1.00 0.00 C ATOM 624 C GLU A 39 6.758 3.675 -0.806 1.00 0.00 C ATOM 625 O GLU A 39 6.838 2.478 -0.608 1.00 0.00 O ATOM 626 CB GLU A 39 8.544 5.130 0.189 1.00 0.00 C ATOM 627 CG GLU A 39 10.009 5.507 -0.033 1.00 0.00 C ATOM 628 CD GLU A 39 10.594 6.073 1.261 1.00 0.00 C ATOM 629 OE1 GLU A 39 10.333 5.500 2.306 1.00 0.00 O ATOM 630 OE2 GLU A 39 11.294 7.070 1.185 1.00 0.00 O ATOM 0 H GLU A 39 7.534 6.593 -1.435 1.00 0.00 H new ATOM 0 HA GLU A 39 8.720 3.912 -1.596 1.00 0.00 H new ATOM 0 HB2 GLU A 39 7.970 6.010 0.480 1.00 0.00 H new ATOM 0 HB3 GLU A 39 8.461 4.411 1.004 1.00 0.00 H new ATOM 0 HG2 GLU A 39 10.577 4.632 -0.348 1.00 0.00 H new ATOM 0 HG3 GLU A 39 10.088 6.243 -0.833 1.00 0.00 H new ATOM 637 N ALA A 40 5.627 4.302 -0.809 1.00 0.00 N ATOM 638 CA ALA A 40 4.356 3.577 -0.561 1.00 0.00 C ATOM 639 C ALA A 40 3.829 3.016 -1.884 1.00 0.00 C ATOM 640 O ALA A 40 3.620 1.827 -2.021 1.00 0.00 O ATOM 641 CB ALA A 40 3.407 4.633 0.002 1.00 0.00 C ATOM 0 H ALA A 40 5.524 5.303 -0.975 1.00 0.00 H new ATOM 0 HA ALA A 40 4.469 2.737 0.124 1.00 0.00 H new ATOM 0 HB1 ALA A 40 2.440 4.177 0.213 1.00 0.00 H new ATOM 0 HB2 ALA A 40 3.824 5.043 0.922 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.279 5.433 -0.727 1.00 0.00 H new ATOM 647 N PHE A 41 3.630 3.856 -2.869 1.00 0.00 N ATOM 648 CA PHE A 41 3.137 3.343 -4.177 1.00 0.00 C ATOM 649 C PHE A 41 3.953 2.110 -4.582 1.00 0.00 C ATOM 650 O PHE A 41 3.435 1.166 -5.145 1.00 0.00 O ATOM 651 CB PHE A 41 3.365 4.489 -5.166 1.00 0.00 C ATOM 652 CG PHE A 41 3.288 3.960 -6.578 1.00 0.00 C ATOM 653 CD1 PHE A 41 4.361 3.237 -7.114 1.00 0.00 C ATOM 654 CD2 PHE A 41 2.142 4.183 -7.349 1.00 0.00 C ATOM 655 CE1 PHE A 41 4.287 2.739 -8.420 1.00 0.00 C ATOM 656 CE2 PHE A 41 2.068 3.685 -8.654 1.00 0.00 C ATOM 657 CZ PHE A 41 3.141 2.963 -9.189 1.00 0.00 C ATOM 0 H PHE A 41 3.786 4.863 -2.823 1.00 0.00 H new ATOM 0 HA PHE A 41 2.089 3.044 -4.144 1.00 0.00 H new ATOM 0 HB2 PHE A 41 2.616 5.267 -5.017 1.00 0.00 H new ATOM 0 HB3 PHE A 41 4.339 4.946 -4.990 1.00 0.00 H new ATOM 0 HD1 PHE A 41 5.246 3.064 -6.519 1.00 0.00 H new ATOM 0 HD2 PHE A 41 1.314 4.740 -6.936 1.00 0.00 H new ATOM 0 HE1 PHE A 41 5.115 2.182 -8.834 1.00 0.00 H new ATOM 0 HE2 PHE A 41 1.183 3.858 -9.249 1.00 0.00 H new ATOM 0 HZ PHE A 41 3.084 2.579 -10.197 1.00 0.00 H new ATOM 667 N ARG A 42 5.227 2.117 -4.296 1.00 0.00 N ATOM 668 CA ARG A 42 6.082 0.951 -4.658 1.00 0.00 C ATOM 669 C ARG A 42 5.674 -0.274 -3.840 1.00 0.00 C ATOM 670 O ARG A 42 5.127 -1.226 -4.362 1.00 0.00 O ATOM 671 CB ARG A 42 7.506 1.375 -4.299 1.00 0.00 C ATOM 672 CG ARG A 42 8.099 2.201 -5.440 1.00 0.00 C ATOM 673 CD ARG A 42 9.613 2.303 -5.251 1.00 0.00 C ATOM 674 NE ARG A 42 10.166 2.420 -6.629 1.00 0.00 N ATOM 675 CZ ARG A 42 11.245 3.123 -6.841 1.00 0.00 C ATOM 676 NH1 ARG A 42 11.425 4.250 -6.206 1.00 0.00 N ATOM 677 NH2 ARG A 42 12.144 2.698 -7.686 1.00 0.00 N ATOM 0 H ARG A 42 5.713 2.881 -3.827 1.00 0.00 H new ATOM 0 HA ARG A 42 5.987 0.683 -5.710 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.501 1.959 -3.379 1.00 0.00 H new ATOM 0 HB3 ARG A 42 8.123 0.495 -4.115 1.00 0.00 H new ATOM 0 HG2 ARG A 42 7.870 1.736 -6.399 1.00 0.00 H new ATOM 0 HG3 ARG A 42 7.654 3.196 -5.454 1.00 0.00 H new ATOM 0 HD2 ARG A 42 9.878 3.169 -4.645 1.00 0.00 H new ATOM 0 HD3 ARG A 42 10.007 1.424 -4.741 1.00 0.00 H new ATOM 0 HE ARG A 42 9.702 1.951 -7.407 1.00 0.00 H new ATOM 0 HH11 ARG A 42 10.722 4.581 -5.545 1.00 0.00 H new ATOM 0 HH12 ARG A 42 12.268 4.800 -6.371 1.00 0.00 H new ATOM 0 HH21 ARG A 42 12.003 1.817 -8.180 1.00 0.00 H new ATOM 0 HH22 ARG A 42 12.988 3.247 -7.852 1.00 0.00 H new ATOM 691 N ALA A 43 5.937 -0.252 -2.562 1.00 0.00 N ATOM 692 CA ALA A 43 5.564 -1.412 -1.702 1.00 0.00 C ATOM 693 C ALA A 43 4.186 -1.941 -2.094 1.00 0.00 C ATOM 694 O ALA A 43 4.004 -3.123 -2.289 1.00 0.00 O ATOM 695 CB ALA A 43 5.543 -0.859 -0.277 1.00 0.00 C ATOM 0 H ALA A 43 6.394 0.519 -2.076 1.00 0.00 H new ATOM 0 HA ALA A 43 6.262 -2.243 -1.806 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.276 -1.655 0.418 1.00 0.00 H new ATOM 0 HB2 ALA A 43 6.529 -0.471 -0.023 1.00 0.00 H new ATOM 0 HB3 ALA A 43 4.809 -0.056 -0.209 1.00 0.00 H new ATOM 701 N LEU A 44 3.217 -1.078 -2.217 1.00 0.00 N ATOM 702 CA LEU A 44 1.852 -1.543 -2.597 1.00 0.00 C ATOM 703 C LEU A 44 1.852 -2.060 -4.034 1.00 0.00 C ATOM 704 O LEU A 44 1.164 -3.006 -4.362 1.00 0.00 O ATOM 705 CB LEU A 44 0.964 -0.307 -2.462 1.00 0.00 C ATOM 706 CG LEU A 44 0.760 0.010 -0.981 1.00 0.00 C ATOM 707 CD1 LEU A 44 0.493 1.506 -0.809 1.00 0.00 C ATOM 708 CD2 LEU A 44 -0.434 -0.787 -0.449 1.00 0.00 C ATOM 0 H LEU A 44 3.310 -0.073 -2.071 1.00 0.00 H new ATOM 0 HA LEU A 44 1.502 -2.363 -1.970 1.00 0.00 H new ATOM 0 HB2 LEU A 44 1.424 0.542 -2.967 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.002 -0.482 -2.944 1.00 0.00 H new ATOM 0 HG LEU A 44 1.657 -0.263 -0.425 1.00 0.00 H new ATOM 0 HD11 LEU A 44 0.348 1.731 0.248 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.344 2.073 -1.187 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.403 1.782 -1.365 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.580 -0.562 0.607 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.331 -0.514 -1.006 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -0.242 -1.853 -0.569 1.00 0.00 H new ATOM 720 N HIS A 45 2.633 -1.463 -4.889 1.00 0.00 N ATOM 721 CA HIS A 45 2.688 -1.942 -6.296 1.00 0.00 C ATOM 722 C HIS A 45 3.458 -3.260 -6.324 1.00 0.00 C ATOM 723 O HIS A 45 3.181 -4.148 -7.108 1.00 0.00 O ATOM 724 CB HIS A 45 3.433 -0.841 -7.058 1.00 0.00 C ATOM 725 CG HIS A 45 4.069 -1.413 -8.298 1.00 0.00 C ATOM 726 ND1 HIS A 45 5.395 -1.816 -8.327 1.00 0.00 N ATOM 727 CD2 HIS A 45 3.572 -1.662 -9.553 1.00 0.00 C ATOM 728 CE1 HIS A 45 5.649 -2.282 -9.564 1.00 0.00 C ATOM 729 NE2 HIS A 45 4.573 -2.211 -10.351 1.00 0.00 N ATOM 0 H HIS A 45 3.234 -0.667 -4.675 1.00 0.00 H new ATOM 0 HA HIS A 45 1.708 -2.124 -6.738 1.00 0.00 H new ATOM 0 HB2 HIS A 45 2.742 -0.043 -7.329 1.00 0.00 H new ATOM 0 HB3 HIS A 45 4.197 -0.398 -6.419 1.00 0.00 H new ATOM 0 HD2 HIS A 45 2.560 -1.463 -9.873 1.00 0.00 H new ATOM 0 HE1 HIS A 45 6.607 -2.667 -9.881 1.00 0.00 H new ATOM 0 HE2 HIS A 45 4.500 -2.497 -11.327 1.00 0.00 H new ATOM 737 N THR A 46 4.413 -3.392 -5.448 1.00 0.00 N ATOM 738 CA THR A 46 5.201 -4.648 -5.384 1.00 0.00 C ATOM 739 C THR A 46 4.399 -5.696 -4.607 1.00 0.00 C ATOM 740 O THR A 46 4.497 -6.880 -4.857 1.00 0.00 O ATOM 741 CB THR A 46 6.496 -4.250 -4.652 1.00 0.00 C ATOM 742 OG1 THR A 46 7.515 -4.001 -5.614 1.00 0.00 O ATOM 743 CG2 THR A 46 6.949 -5.367 -3.704 1.00 0.00 C ATOM 0 H THR A 46 4.681 -2.678 -4.771 1.00 0.00 H new ATOM 0 HA THR A 46 5.423 -5.084 -6.358 1.00 0.00 H new ATOM 0 HB THR A 46 6.308 -3.353 -4.063 1.00 0.00 H new ATOM 0 HG1 THR A 46 8.342 -3.745 -5.155 1.00 0.00 H new ATOM 0 HG21 THR A 46 7.866 -5.065 -3.197 1.00 0.00 H new ATOM 0 HG22 THR A 46 6.170 -5.555 -2.965 1.00 0.00 H new ATOM 0 HG23 THR A 46 7.133 -6.277 -4.275 1.00 0.00 H new ATOM 751 N LEU A 47 3.597 -5.260 -3.671 1.00 0.00 N ATOM 752 CA LEU A 47 2.777 -6.221 -2.882 1.00 0.00 C ATOM 753 C LEU A 47 1.552 -6.646 -3.693 1.00 0.00 C ATOM 754 O LEU A 47 1.188 -7.805 -3.721 1.00 0.00 O ATOM 755 CB LEU A 47 2.356 -5.451 -1.633 1.00 0.00 C ATOM 756 CG LEU A 47 3.224 -5.886 -0.455 1.00 0.00 C ATOM 757 CD1 LEU A 47 2.939 -4.986 0.746 1.00 0.00 C ATOM 758 CD2 LEU A 47 2.901 -7.337 -0.092 1.00 0.00 C ATOM 0 H LEU A 47 3.476 -4.279 -3.420 1.00 0.00 H new ATOM 0 HA LEU A 47 3.325 -7.129 -2.630 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.461 -4.379 -1.800 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.305 -5.638 -1.414 1.00 0.00 H new ATOM 0 HG LEU A 47 4.276 -5.805 -0.729 1.00 0.00 H new ATOM 0 HD11 LEU A 47 3.558 -5.296 1.588 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.168 -3.952 0.488 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.887 -5.067 1.020 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.521 -7.648 0.749 1.00 0.00 H new ATOM 0 HD22 LEU A 47 1.849 -7.418 0.182 1.00 0.00 H new ATOM 0 HD23 LEU A 47 3.103 -7.980 -0.949 1.00 0.00 H new ATOM 770 N LYS A 48 0.920 -5.722 -4.368 1.00 0.00 N ATOM 771 CA LYS A 48 -0.267 -6.091 -5.185 1.00 0.00 C ATOM 772 C LYS A 48 0.198 -6.899 -6.397 1.00 0.00 C ATOM 773 O LYS A 48 -0.567 -7.605 -7.023 1.00 0.00 O ATOM 774 CB LYS A 48 -0.892 -4.765 -5.615 1.00 0.00 C ATOM 775 CG LYS A 48 0.005 -4.082 -6.639 1.00 0.00 C ATOM 776 CD LYS A 48 -0.646 -4.181 -8.016 1.00 0.00 C ATOM 777 CE LYS A 48 0.389 -3.840 -9.081 1.00 0.00 C ATOM 778 NZ LYS A 48 0.358 -4.990 -10.028 1.00 0.00 N ATOM 0 H LYS A 48 1.174 -4.734 -4.387 1.00 0.00 H new ATOM 0 HA LYS A 48 -0.987 -6.701 -4.640 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -1.880 -4.939 -6.042 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.028 -4.118 -4.748 1.00 0.00 H new ATOM 0 HG2 LYS A 48 0.157 -3.037 -6.369 1.00 0.00 H new ATOM 0 HG3 LYS A 48 0.988 -4.554 -6.653 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -1.034 -5.187 -8.177 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -1.493 -3.498 -8.082 1.00 0.00 H new ATOM 0 HE2 LYS A 48 0.143 -2.906 -9.586 1.00 0.00 H new ATOM 0 HE3 LYS A 48 1.380 -3.715 -8.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 1.267 -5.051 -10.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 0.195 -5.871 -9.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -0.410 -4.852 -10.716 1.00 0.00 H new ATOM 792 N GLY A 49 1.461 -6.808 -6.724 1.00 0.00 N ATOM 793 CA GLY A 49 1.991 -7.577 -7.883 1.00 0.00 C ATOM 794 C GLY A 49 2.174 -9.038 -7.470 1.00 0.00 C ATOM 795 O GLY A 49 1.756 -9.945 -8.163 1.00 0.00 O ATOM 0 H GLY A 49 2.147 -6.233 -6.236 1.00 0.00 H new ATOM 0 HA2 GLY A 49 1.304 -7.508 -8.727 1.00 0.00 H new ATOM 0 HA3 GLY A 49 2.942 -7.157 -8.211 1.00 0.00 H new ATOM 799 N MET A 50 2.788 -9.275 -6.339 1.00 0.00 N ATOM 800 CA MET A 50 2.983 -10.681 -5.881 1.00 0.00 C ATOM 801 C MET A 50 1.678 -11.219 -5.291 1.00 0.00 C ATOM 802 O MET A 50 1.531 -12.402 -5.057 1.00 0.00 O ATOM 803 CB MET A 50 4.077 -10.619 -4.812 1.00 0.00 C ATOM 804 CG MET A 50 3.684 -9.610 -3.733 1.00 0.00 C ATOM 805 SD MET A 50 4.023 -10.307 -2.094 1.00 0.00 S ATOM 806 CE MET A 50 5.250 -9.085 -1.559 1.00 0.00 C ATOM 0 H MET A 50 3.161 -8.558 -5.716 1.00 0.00 H new ATOM 0 HA MET A 50 3.266 -11.345 -6.698 1.00 0.00 H new ATOM 0 HB2 MET A 50 4.221 -11.604 -4.368 1.00 0.00 H new ATOM 0 HB3 MET A 50 5.026 -10.331 -5.265 1.00 0.00 H new ATOM 0 HG2 MET A 50 4.242 -8.683 -3.867 1.00 0.00 H new ATOM 0 HG3 MET A 50 2.626 -9.361 -3.822 1.00 0.00 H new ATOM 0 HE1 MET A 50 6.232 -9.555 -1.504 1.00 0.00 H new ATOM 0 HE2 MET A 50 5.281 -8.263 -2.274 1.00 0.00 H new ATOM 0 HE3 MET A 50 4.977 -8.701 -0.576 1.00 0.00 H new ATOM 816 N ALA A 51 0.725 -10.357 -5.062 1.00 0.00 N ATOM 817 CA ALA A 51 -0.577 -10.817 -4.502 1.00 0.00 C ATOM 818 C ALA A 51 -1.528 -11.172 -5.642 1.00 0.00 C ATOM 819 O ALA A 51 -2.491 -11.883 -5.461 1.00 0.00 O ATOM 820 CB ALA A 51 -1.119 -9.629 -3.708 1.00 0.00 C ATOM 0 H ALA A 51 0.792 -9.355 -5.238 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.469 -11.703 -3.876 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.079 -9.895 -3.265 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.415 -9.368 -2.918 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.250 -8.776 -4.374 1.00 0.00 H new ATOM 826 N GLY A 52 -1.262 -10.684 -6.819 1.00 0.00 N ATOM 827 CA GLY A 52 -2.150 -10.999 -7.971 1.00 0.00 C ATOM 828 C GLY A 52 -1.734 -12.339 -8.578 1.00 0.00 C ATOM 829 O GLY A 52 -1.611 -12.478 -9.778 1.00 0.00 O ATOM 0 H GLY A 52 -0.468 -10.081 -7.034 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -3.189 -11.042 -7.643 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.085 -10.211 -8.721 1.00 0.00 H new ATOM 871 N PHE A 56 -3.509 -13.829 -4.516 1.00 0.00 N ATOM 872 CA PHE A 56 -4.859 -13.627 -5.118 1.00 0.00 C ATOM 873 C PHE A 56 -5.038 -12.158 -5.514 1.00 0.00 C ATOM 874 O PHE A 56 -4.967 -11.268 -4.689 1.00 0.00 O ATOM 875 CB PHE A 56 -5.857 -14.018 -4.025 1.00 0.00 C ATOM 876 CG PHE A 56 -6.626 -15.241 -4.460 1.00 0.00 C ATOM 877 CD1 PHE A 56 -5.994 -16.490 -4.497 1.00 0.00 C ATOM 878 CD2 PHE A 56 -7.974 -15.128 -4.825 1.00 0.00 C ATOM 879 CE1 PHE A 56 -6.707 -17.625 -4.899 1.00 0.00 C ATOM 880 CE2 PHE A 56 -8.688 -16.264 -5.226 1.00 0.00 C ATOM 881 CZ PHE A 56 -8.055 -17.512 -5.264 1.00 0.00 C ATOM 0 HA PHE A 56 -5.002 -14.223 -6.019 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -5.330 -14.219 -3.092 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -6.543 -13.193 -3.832 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -4.955 -16.577 -4.215 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -8.462 -14.165 -4.797 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -6.218 -18.588 -4.928 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -9.727 -16.177 -5.506 1.00 0.00 H new ATOM 0 HZ PHE A 56 -8.606 -18.388 -5.575 1.00 0.00 H new ATOM 891 N SER A 57 -5.259 -11.897 -6.774 1.00 0.00 N ATOM 892 CA SER A 57 -5.430 -10.486 -7.222 1.00 0.00 C ATOM 893 C SER A 57 -6.636 -9.852 -6.544 1.00 0.00 C ATOM 894 O SER A 57 -6.812 -8.650 -6.560 1.00 0.00 O ATOM 895 CB SER A 57 -5.640 -10.562 -8.730 1.00 0.00 C ATOM 896 OG SER A 57 -4.863 -11.627 -9.261 1.00 0.00 O ATOM 0 H SER A 57 -5.328 -12.599 -7.511 1.00 0.00 H new ATOM 0 HA SER A 57 -4.567 -9.872 -6.965 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.695 -10.720 -8.954 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.353 -9.620 -9.196 1.00 0.00 H new ATOM 0 HG SER A 57 -5.444 -12.394 -9.448 1.00 0.00 H new ATOM 902 N SER A 58 -7.453 -10.647 -5.930 1.00 0.00 N ATOM 903 CA SER A 58 -8.635 -10.083 -5.227 1.00 0.00 C ATOM 904 C SER A 58 -8.131 -9.236 -4.067 1.00 0.00 C ATOM 905 O SER A 58 -8.700 -8.222 -3.716 1.00 0.00 O ATOM 906 CB SER A 58 -9.426 -11.286 -4.720 1.00 0.00 C ATOM 907 OG SER A 58 -9.673 -12.174 -5.802 1.00 0.00 O ATOM 0 H SER A 58 -7.358 -11.661 -5.882 1.00 0.00 H new ATOM 0 HA SER A 58 -9.259 -9.456 -5.864 1.00 0.00 H new ATOM 0 HB2 SER A 58 -8.869 -11.797 -3.934 1.00 0.00 H new ATOM 0 HB3 SER A 58 -10.368 -10.958 -4.281 1.00 0.00 H new ATOM 0 HG SER A 58 -10.179 -12.949 -5.480 1.00 0.00 H new ATOM 913 N MET A 59 -7.038 -9.647 -3.490 1.00 0.00 N ATOM 914 CA MET A 59 -6.443 -8.880 -2.369 1.00 0.00 C ATOM 915 C MET A 59 -5.314 -8.010 -2.918 1.00 0.00 C ATOM 916 O MET A 59 -4.928 -7.016 -2.330 1.00 0.00 O ATOM 917 CB MET A 59 -5.903 -9.940 -1.408 1.00 0.00 C ATOM 918 CG MET A 59 -5.305 -9.267 -0.171 1.00 0.00 C ATOM 919 SD MET A 59 -3.642 -8.653 -0.543 1.00 0.00 S ATOM 920 CE MET A 59 -2.960 -10.199 -1.190 1.00 0.00 C ATOM 0 H MET A 59 -6.528 -10.491 -3.752 1.00 0.00 H new ATOM 0 HA MET A 59 -7.153 -8.222 -1.869 1.00 0.00 H new ATOM 0 HB2 MET A 59 -6.704 -10.617 -1.112 1.00 0.00 H new ATOM 0 HB3 MET A 59 -5.144 -10.543 -1.907 1.00 0.00 H new ATOM 0 HG2 MET A 59 -5.943 -8.443 0.149 1.00 0.00 H new ATOM 0 HG3 MET A 59 -5.263 -9.977 0.655 1.00 0.00 H new ATOM 0 HE1 MET A 59 -1.871 -10.154 -1.168 1.00 0.00 H new ATOM 0 HE2 MET A 59 -3.301 -11.032 -0.576 1.00 0.00 H new ATOM 0 HE3 MET A 59 -3.296 -10.344 -2.217 1.00 0.00 H new ATOM 930 N ALA A 60 -4.788 -8.367 -4.058 1.00 0.00 N ATOM 931 CA ALA A 60 -3.701 -7.550 -4.652 1.00 0.00 C ATOM 932 C ALA A 60 -4.302 -6.277 -5.238 1.00 0.00 C ATOM 933 O ALA A 60 -3.716 -5.216 -5.178 1.00 0.00 O ATOM 934 CB ALA A 60 -3.089 -8.419 -5.750 1.00 0.00 C ATOM 0 H ALA A 60 -5.065 -9.186 -4.599 1.00 0.00 H new ATOM 0 HA ALA A 60 -2.947 -7.255 -3.922 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.276 -7.876 -6.233 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -2.701 -9.339 -5.312 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.852 -8.663 -6.489 1.00 0.00 H new ATOM 940 N LYS A 61 -5.488 -6.365 -5.778 1.00 0.00 N ATOM 941 CA LYS A 61 -6.127 -5.145 -6.333 1.00 0.00 C ATOM 942 C LYS A 61 -6.340 -4.162 -5.191 1.00 0.00 C ATOM 943 O LYS A 61 -6.282 -2.961 -5.361 1.00 0.00 O ATOM 944 CB LYS A 61 -7.452 -5.629 -6.923 1.00 0.00 C ATOM 945 CG LYS A 61 -8.496 -5.804 -5.819 1.00 0.00 C ATOM 946 CD LYS A 61 -9.855 -6.143 -6.441 1.00 0.00 C ATOM 947 CE LYS A 61 -9.675 -7.211 -7.525 1.00 0.00 C ATOM 948 NZ LYS A 61 -10.936 -8.002 -7.501 1.00 0.00 N ATOM 0 H LYS A 61 -6.035 -7.222 -5.857 1.00 0.00 H new ATOM 0 HA LYS A 61 -5.533 -4.638 -7.094 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -7.811 -4.913 -7.662 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -7.302 -6.575 -7.443 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -8.189 -6.598 -5.138 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -8.573 -4.890 -5.230 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -10.538 -6.503 -5.672 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -10.303 -5.247 -6.871 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -9.512 -6.757 -8.503 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -8.810 -7.841 -7.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -10.888 -8.754 -8.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -11.061 -8.428 -6.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -11.741 -7.378 -7.708 1.00 0.00 H new ATOM 962 N LEU A 62 -6.547 -4.683 -4.017 1.00 0.00 N ATOM 963 CA LEU A 62 -6.723 -3.805 -2.834 1.00 0.00 C ATOM 964 C LEU A 62 -5.433 -3.024 -2.624 1.00 0.00 C ATOM 965 O LEU A 62 -5.443 -1.847 -2.323 1.00 0.00 O ATOM 966 CB LEU A 62 -6.967 -4.751 -1.655 1.00 0.00 C ATOM 967 CG LEU A 62 -6.784 -3.991 -0.341 1.00 0.00 C ATOM 968 CD1 LEU A 62 -7.496 -2.638 -0.418 1.00 0.00 C ATOM 969 CD2 LEU A 62 -7.380 -4.810 0.806 1.00 0.00 C ATOM 0 H LEU A 62 -6.602 -5.684 -3.826 1.00 0.00 H new ATOM 0 HA LEU A 62 -7.543 -3.096 -2.947 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -7.974 -5.165 -1.710 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -6.274 -5.591 -1.700 1.00 0.00 H new ATOM 0 HG LEU A 62 -5.720 -3.829 -0.166 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -7.361 -2.102 0.522 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -7.075 -2.051 -1.234 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -8.560 -2.796 -0.596 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -7.251 -4.270 1.744 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -8.442 -4.972 0.624 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -6.872 -5.772 0.868 1.00 0.00 H new ATOM 981 N CYS A 63 -4.315 -3.677 -2.798 1.00 0.00 N ATOM 982 CA CYS A 63 -3.017 -2.977 -2.624 1.00 0.00 C ATOM 983 C CYS A 63 -2.785 -2.030 -3.804 1.00 0.00 C ATOM 984 O CYS A 63 -2.290 -0.932 -3.643 1.00 0.00 O ATOM 985 CB CYS A 63 -1.964 -4.085 -2.593 1.00 0.00 C ATOM 986 SG CYS A 63 -1.999 -4.902 -0.977 1.00 0.00 S ATOM 0 H CYS A 63 -4.248 -4.662 -3.052 1.00 0.00 H new ATOM 0 HA CYS A 63 -2.982 -2.373 -1.717 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -2.159 -4.810 -3.384 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -0.975 -3.667 -2.780 1.00 0.00 H new ATOM 0 HG CYS A 63 -1.162 -4.314 -0.175 1.00 0.00 H new ATOM 992 N HIS A 64 -3.156 -2.440 -4.988 1.00 0.00 N ATOM 993 CA HIS A 64 -2.974 -1.556 -6.169 1.00 0.00 C ATOM 994 C HIS A 64 -3.732 -0.248 -5.941 1.00 0.00 C ATOM 995 O HIS A 64 -3.337 0.798 -6.417 1.00 0.00 O ATOM 996 CB HIS A 64 -3.567 -2.334 -7.346 1.00 0.00 C ATOM 997 CG HIS A 64 -3.158 -1.685 -8.641 1.00 0.00 C ATOM 998 ND1 HIS A 64 -1.843 -1.342 -8.914 1.00 0.00 N ATOM 999 CD2 HIS A 64 -3.880 -1.313 -9.749 1.00 0.00 C ATOM 1000 CE1 HIS A 64 -1.813 -0.791 -10.141 1.00 0.00 C ATOM 1001 NE2 HIS A 64 -3.029 -0.749 -10.695 1.00 0.00 N ATOM 0 H HIS A 64 -3.576 -3.348 -5.185 1.00 0.00 H new ATOM 0 HA HIS A 64 -1.930 -1.299 -6.350 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -3.222 -3.368 -7.322 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -4.654 -2.358 -7.268 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -1.043 -1.482 -8.297 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -4.946 -1.439 -9.868 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -0.916 -0.427 -10.620 1.00 0.00 H new ATOM 1009 N THR A 65 -4.814 -0.294 -5.205 1.00 0.00 N ATOM 1010 CA THR A 65 -5.578 0.959 -4.947 1.00 0.00 C ATOM 1011 C THR A 65 -4.781 1.854 -3.992 1.00 0.00 C ATOM 1012 O THR A 65 -4.422 2.962 -4.329 1.00 0.00 O ATOM 1013 CB THR A 65 -6.928 0.515 -4.338 1.00 0.00 C ATOM 1014 OG1 THR A 65 -7.985 0.910 -5.202 1.00 0.00 O ATOM 1015 CG2 THR A 65 -7.155 1.141 -2.953 1.00 0.00 C ATOM 0 H THR A 65 -5.196 -1.137 -4.777 1.00 0.00 H new ATOM 0 HA THR A 65 -5.749 1.542 -5.852 1.00 0.00 H new ATOM 0 HB THR A 65 -6.908 -0.569 -4.226 1.00 0.00 H new ATOM 0 HG1 THR A 65 -8.325 1.786 -4.924 1.00 0.00 H new ATOM 0 HG21 THR A 65 -8.113 0.807 -2.555 1.00 0.00 H new ATOM 0 HG22 THR A 65 -6.355 0.833 -2.279 1.00 0.00 H new ATOM 0 HG23 THR A 65 -7.158 2.227 -3.041 1.00 0.00 H new ATOM 1023 N LEU A 66 -4.485 1.368 -2.810 1.00 0.00 N ATOM 1024 CA LEU A 66 -3.691 2.186 -1.842 1.00 0.00 C ATOM 1025 C LEU A 66 -2.562 2.852 -2.615 1.00 0.00 C ATOM 1026 O LEU A 66 -2.231 4.001 -2.411 1.00 0.00 O ATOM 1027 CB LEU A 66 -3.127 1.192 -0.821 1.00 0.00 C ATOM 1028 CG LEU A 66 -4.226 0.245 -0.320 1.00 0.00 C ATOM 1029 CD1 LEU A 66 -3.734 -0.474 0.935 1.00 0.00 C ATOM 1030 CD2 LEU A 66 -5.493 1.037 0.019 1.00 0.00 C ATOM 0 H LEU A 66 -4.758 0.444 -2.476 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.280 2.957 -1.345 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.322 0.614 -1.275 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -2.695 1.734 0.021 1.00 0.00 H new ATOM 0 HG LEU A 66 -4.456 -0.479 -1.102 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -4.510 -1.148 1.296 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -2.837 -1.047 0.698 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -3.503 0.259 1.707 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -6.265 0.354 0.373 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -5.269 1.766 0.797 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -5.848 1.555 -0.872 1.00 0.00 H new ATOM 1042 N GLU A 67 -2.001 2.122 -3.536 1.00 0.00 N ATOM 1043 CA GLU A 67 -0.915 2.668 -4.385 1.00 0.00 C ATOM 1044 C GLU A 67 -1.524 3.636 -5.395 1.00 0.00 C ATOM 1045 O GLU A 67 -1.030 4.723 -5.614 1.00 0.00 O ATOM 1046 CB GLU A 67 -0.336 1.433 -5.079 1.00 0.00 C ATOM 1047 CG GLU A 67 0.334 1.827 -6.398 1.00 0.00 C ATOM 1048 CD GLU A 67 -0.508 1.320 -7.570 1.00 0.00 C ATOM 1049 OE1 GLU A 67 -1.451 2.003 -7.937 1.00 0.00 O ATOM 1050 OE2 GLU A 67 -0.198 0.257 -8.080 1.00 0.00 O ATOM 0 H GLU A 67 -2.255 1.155 -3.737 1.00 0.00 H new ATOM 0 HA GLU A 67 -0.151 3.217 -3.834 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.389 0.948 -4.426 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -1.129 0.709 -5.268 1.00 0.00 H new ATOM 0 HG2 GLU A 67 0.440 2.910 -6.455 1.00 0.00 H new ATOM 0 HG3 GLU A 67 1.338 1.405 -6.448 1.00 0.00 H new ATOM 1057 N ASN A 68 -2.609 3.252 -6.000 1.00 0.00 N ATOM 1058 CA ASN A 68 -3.265 4.153 -6.977 1.00 0.00 C ATOM 1059 C ASN A 68 -3.493 5.510 -6.327 1.00 0.00 C ATOM 1060 O ASN A 68 -3.254 6.540 -6.919 1.00 0.00 O ATOM 1061 CB ASN A 68 -4.602 3.497 -7.272 1.00 0.00 C ATOM 1062 CG ASN A 68 -4.869 3.514 -8.780 1.00 0.00 C ATOM 1063 OD1 ASN A 68 -4.450 4.420 -9.473 1.00 0.00 O ATOM 1064 ND2 ASN A 68 -5.554 2.544 -9.319 1.00 0.00 N ATOM 0 H ASN A 68 -3.069 2.353 -5.859 1.00 0.00 H new ATOM 0 HA ASN A 68 -2.671 4.303 -7.878 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -4.602 2.471 -6.905 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -5.399 4.023 -6.747 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -5.738 2.546 -10.322 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -5.906 1.783 -8.737 1.00 0.00 H new ATOM 1071 N ILE A 69 -3.914 5.515 -5.093 1.00 0.00 N ATOM 1072 CA ILE A 69 -4.120 6.819 -4.401 1.00 0.00 C ATOM 1073 C ILE A 69 -2.772 7.494 -4.340 1.00 0.00 C ATOM 1074 O ILE A 69 -2.617 8.676 -4.565 1.00 0.00 O ATOM 1075 CB ILE A 69 -4.628 6.524 -2.983 1.00 0.00 C ATOM 1076 CG1 ILE A 69 -5.691 5.419 -2.994 1.00 0.00 C ATOM 1077 CG2 ILE A 69 -5.237 7.796 -2.390 1.00 0.00 C ATOM 1078 CD1 ILE A 69 -7.020 5.957 -3.507 1.00 0.00 C ATOM 0 H ILE A 69 -4.122 4.684 -4.539 1.00 0.00 H new ATOM 0 HA ILE A 69 -4.840 7.456 -4.915 1.00 0.00 H new ATOM 0 HB ILE A 69 -3.784 6.188 -2.380 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -5.359 4.594 -3.624 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -5.818 5.020 -1.988 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -5.599 7.591 -1.383 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -4.479 8.578 -2.351 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -6.068 8.127 -3.014 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -7.761 5.157 -3.507 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -7.359 6.766 -2.860 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -6.893 6.334 -4.522 1.00 0.00 H new ATOM 1090 N LEU A 70 -1.788 6.701 -4.083 1.00 0.00 N ATOM 1091 CA LEU A 70 -0.398 7.211 -4.043 1.00 0.00 C ATOM 1092 C LEU A 70 -0.001 7.574 -5.458 1.00 0.00 C ATOM 1093 O LEU A 70 0.884 8.372 -5.695 1.00 0.00 O ATOM 1094 CB LEU A 70 0.434 6.061 -3.482 1.00 0.00 C ATOM 1095 CG LEU A 70 -0.070 5.745 -2.076 1.00 0.00 C ATOM 1096 CD1 LEU A 70 0.427 4.367 -1.642 1.00 0.00 C ATOM 1097 CD2 LEU A 70 0.443 6.813 -1.107 1.00 0.00 C ATOM 0 H LEU A 70 -1.885 5.703 -3.895 1.00 0.00 H new ATOM 0 HA LEU A 70 -0.262 8.100 -3.427 1.00 0.00 H new ATOM 0 HB2 LEU A 70 0.348 5.183 -4.122 1.00 0.00 H new ATOM 0 HB3 LEU A 70 1.489 6.334 -3.455 1.00 0.00 H new ATOM 0 HG LEU A 70 -1.160 5.742 -2.072 1.00 0.00 H new ATOM 0 HD11 LEU A 70 0.063 4.149 -0.638 1.00 0.00 H new ATOM 0 HD12 LEU A 70 0.056 3.612 -2.335 1.00 0.00 H new ATOM 0 HD13 LEU A 70 1.517 4.356 -1.643 1.00 0.00 H new ATOM 0 HD21 LEU A 70 0.086 6.593 -0.101 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.533 6.816 -1.113 1.00 0.00 H new ATOM 0 HD23 LEU A 70 0.076 7.791 -1.416 1.00 0.00 H new ATOM 1109 N ASP A 71 -0.702 7.022 -6.402 1.00 0.00 N ATOM 1110 CA ASP A 71 -0.433 7.360 -7.815 1.00 0.00 C ATOM 1111 C ASP A 71 -1.053 8.723 -8.083 1.00 0.00 C ATOM 1112 O ASP A 71 -0.414 9.608 -8.616 1.00 0.00 O ATOM 1113 CB ASP A 71 -1.109 6.272 -8.648 1.00 0.00 C ATOM 1114 CG ASP A 71 -0.504 6.260 -10.054 1.00 0.00 C ATOM 1115 OD1 ASP A 71 -0.749 7.201 -10.791 1.00 0.00 O ATOM 1116 OD2 ASP A 71 0.195 5.311 -10.370 1.00 0.00 O ATOM 0 H ASP A 71 -1.453 6.348 -6.252 1.00 0.00 H new ATOM 0 HA ASP A 71 0.629 7.406 -8.057 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -0.975 5.300 -8.174 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -2.182 6.455 -8.703 1.00 0.00 H new ATOM 1121 N LYS A 72 -2.285 8.926 -7.679 1.00 0.00 N ATOM 1122 CA LYS A 72 -2.888 10.263 -7.884 1.00 0.00 C ATOM 1123 C LYS A 72 -2.076 11.266 -7.089 1.00 0.00 C ATOM 1124 O LYS A 72 -1.879 12.399 -7.484 1.00 0.00 O ATOM 1125 CB LYS A 72 -4.286 10.145 -7.323 1.00 0.00 C ATOM 1126 CG LYS A 72 -5.221 9.589 -8.380 1.00 0.00 C ATOM 1127 CD LYS A 72 -6.166 8.626 -7.689 1.00 0.00 C ATOM 1128 CE LYS A 72 -5.549 7.236 -7.678 1.00 0.00 C ATOM 1129 NZ LYS A 72 -6.604 6.337 -8.221 1.00 0.00 N ATOM 0 H LYS A 72 -2.882 8.234 -7.226 1.00 0.00 H new ATOM 0 HA LYS A 72 -2.906 10.584 -8.925 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -4.283 9.494 -6.449 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -4.638 11.122 -6.991 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -5.777 10.393 -8.862 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -4.657 9.079 -9.161 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -6.360 8.958 -6.669 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -7.125 8.606 -8.206 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -4.648 7.200 -8.290 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -5.261 6.941 -6.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -6.611 5.446 -7.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -7.532 6.799 -8.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -6.408 6.137 -9.223 1.00 0.00 H new ATOM 1143 N ALA A 73 -1.571 10.823 -5.982 1.00 0.00 N ATOM 1144 CA ALA A 73 -0.718 11.700 -5.140 1.00 0.00 C ATOM 1145 C ALA A 73 0.468 12.119 -5.990 1.00 0.00 C ATOM 1146 O ALA A 73 0.929 13.244 -5.946 1.00 0.00 O ATOM 1147 CB ALA A 73 -0.267 10.823 -3.972 1.00 0.00 C ATOM 0 H ALA A 73 -1.712 9.881 -5.618 1.00 0.00 H new ATOM 0 HA ALA A 73 -1.223 12.594 -4.775 1.00 0.00 H new ATOM 0 HB1 ALA A 73 0.369 11.405 -3.305 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -1.140 10.470 -3.424 1.00 0.00 H new ATOM 0 HB3 ALA A 73 0.292 9.969 -4.353 1.00 0.00 H new ATOM 1153 N ARG A 74 0.937 11.210 -6.795 1.00 0.00 N ATOM 1154 CA ARG A 74 2.070 11.520 -7.702 1.00 0.00 C ATOM 1155 C ARG A 74 1.511 12.154 -8.976 1.00 0.00 C ATOM 1156 O ARG A 74 2.212 12.800 -9.728 1.00 0.00 O ATOM 1157 CB ARG A 74 2.721 10.171 -8.016 1.00 0.00 C ATOM 1158 CG ARG A 74 3.326 9.579 -6.741 1.00 0.00 C ATOM 1159 CD ARG A 74 3.641 8.097 -6.966 1.00 0.00 C ATOM 1160 NE ARG A 74 4.682 8.081 -8.033 1.00 0.00 N ATOM 1161 CZ ARG A 74 4.458 7.458 -9.160 1.00 0.00 C ATOM 1162 NH1 ARG A 74 3.816 6.321 -9.162 1.00 0.00 N ATOM 1163 NH2 ARG A 74 4.879 7.971 -10.284 1.00 0.00 N ATOM 0 H ARG A 74 0.579 10.257 -6.863 1.00 0.00 H new ATOM 0 HA ARG A 74 2.790 12.212 -7.265 1.00 0.00 H new ATOM 0 HB2 ARG A 74 1.980 9.487 -8.430 1.00 0.00 H new ATOM 0 HB3 ARG A 74 3.496 10.298 -8.772 1.00 0.00 H new ATOM 0 HG2 ARG A 74 4.234 10.118 -6.472 1.00 0.00 H new ATOM 0 HG3 ARG A 74 2.631 9.692 -5.909 1.00 0.00 H new ATOM 0 HD2 ARG A 74 4.005 7.628 -6.052 1.00 0.00 H new ATOM 0 HD3 ARG A 74 2.752 7.547 -7.274 1.00 0.00 H new ATOM 0 HE ARG A 74 5.571 8.557 -7.883 1.00 0.00 H new ATOM 0 HH11 ARG A 74 3.489 5.918 -8.284 1.00 0.00 H new ATOM 0 HH12 ARG A 74 3.642 5.835 -10.042 1.00 0.00 H new ATOM 0 HH21 ARG A 74 5.383 8.858 -10.283 1.00 0.00 H new ATOM 0 HH22 ARG A 74 4.704 7.485 -11.164 1.00 0.00 H new ATOM 1177 N ASN A 75 0.238 11.972 -9.213 1.00 0.00 N ATOM 1178 CA ASN A 75 -0.393 12.561 -10.429 1.00 0.00 C ATOM 1179 C ASN A 75 -1.073 13.884 -10.069 1.00 0.00 C ATOM 1180 O ASN A 75 -1.628 14.560 -10.913 1.00 0.00 O ATOM 1181 CB ASN A 75 -1.429 11.529 -10.877 1.00 0.00 C ATOM 1182 CG ASN A 75 -1.632 11.628 -12.391 1.00 0.00 C ATOM 1183 OD1 ASN A 75 -2.052 10.679 -13.022 1.00 0.00 O ATOM 1184 ND2 ASN A 75 -1.349 12.744 -13.003 1.00 0.00 N ATOM 0 H ASN A 75 -0.393 11.439 -8.614 1.00 0.00 H new ATOM 0 HA ASN A 75 0.332 12.774 -11.215 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -1.097 10.526 -10.609 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -2.374 11.700 -10.361 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -1.480 12.820 -14.012 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -0.996 13.541 -12.473 1.00 0.00 H new ATOM 1191 N SER A 76 -1.033 14.255 -8.815 1.00 0.00 N ATOM 1192 CA SER A 76 -1.670 15.531 -8.377 1.00 0.00 C ATOM 1193 C SER A 76 -3.193 15.392 -8.380 1.00 0.00 C ATOM 1194 O SER A 76 -3.909 16.335 -8.655 1.00 0.00 O ATOM 1195 CB SER A 76 -1.222 16.583 -9.392 1.00 0.00 C ATOM 1196 OG SER A 76 -1.103 17.842 -8.742 1.00 0.00 O ATOM 0 H SER A 76 -0.582 13.723 -8.070 1.00 0.00 H new ATOM 0 HA SER A 76 -1.378 15.804 -7.363 1.00 0.00 H new ATOM 0 HB2 SER A 76 -0.267 16.297 -9.833 1.00 0.00 H new ATOM 0 HB3 SER A 76 -1.942 16.648 -10.207 1.00 0.00 H new ATOM 0 HG SER A 76 -0.814 18.519 -9.390 1.00 0.00 H new ATOM 1202 N GLU A 77 -3.697 14.227 -8.074 1.00 0.00 N ATOM 1203 CA GLU A 77 -5.172 14.044 -8.057 1.00 0.00 C ATOM 1204 C GLU A 77 -5.656 13.867 -6.622 1.00 0.00 C ATOM 1205 O GLU A 77 -6.679 14.392 -6.228 1.00 0.00 O ATOM 1206 CB GLU A 77 -5.426 12.798 -8.902 1.00 0.00 C ATOM 1207 CG GLU A 77 -5.135 13.112 -10.369 1.00 0.00 C ATOM 1208 CD GLU A 77 -6.446 13.138 -11.158 1.00 0.00 C ATOM 1209 OE1 GLU A 77 -7.490 13.206 -10.530 1.00 0.00 O ATOM 1210 OE2 GLU A 77 -6.383 13.089 -12.376 1.00 0.00 O ATOM 0 H GLU A 77 -3.152 13.399 -7.836 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.712 14.903 -8.456 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -4.793 11.979 -8.561 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -6.459 12.471 -8.787 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -4.630 14.074 -10.452 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -4.463 12.362 -10.786 1.00 0.00 H new ATOM 1217 N ILE A 78 -4.915 13.153 -5.836 1.00 0.00 N ATOM 1218 CA ILE A 78 -5.311 12.962 -4.407 1.00 0.00 C ATOM 1219 C ILE A 78 -4.130 13.267 -3.487 1.00 0.00 C ATOM 1220 O ILE A 78 -2.995 13.307 -3.910 1.00 0.00 O ATOM 1221 CB ILE A 78 -5.705 11.493 -4.275 1.00 0.00 C ATOM 1222 CG1 ILE A 78 -4.468 10.613 -4.459 1.00 0.00 C ATOM 1223 CG2 ILE A 78 -6.745 11.143 -5.342 1.00 0.00 C ATOM 1224 CD1 ILE A 78 -3.683 10.521 -3.155 1.00 0.00 C ATOM 0 H ILE A 78 -4.050 12.689 -6.113 1.00 0.00 H new ATOM 0 HA ILE A 78 -6.128 13.627 -4.127 1.00 0.00 H new ATOM 0 HB ILE A 78 -6.129 11.320 -3.286 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -4.768 9.616 -4.782 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -3.834 11.025 -5.244 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -7.025 10.094 -5.247 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -7.628 11.768 -5.208 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -6.323 11.317 -6.332 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -2.806 9.891 -3.302 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -3.367 11.518 -2.850 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -4.315 10.087 -2.380 1.00 0.00 H new ATOM 1236 N LYS A 79 -4.391 13.469 -2.227 1.00 0.00 N ATOM 1237 CA LYS A 79 -3.293 13.755 -1.276 1.00 0.00 C ATOM 1238 C LYS A 79 -3.679 13.212 0.100 1.00 0.00 C ATOM 1239 O LYS A 79 -4.840 13.187 0.458 1.00 0.00 O ATOM 1240 CB LYS A 79 -3.158 15.281 -1.276 1.00 0.00 C ATOM 1241 CG LYS A 79 -4.261 15.915 -0.407 1.00 0.00 C ATOM 1242 CD LYS A 79 -3.926 15.826 1.096 1.00 0.00 C ATOM 1243 CE LYS A 79 -2.412 15.799 1.315 1.00 0.00 C ATOM 1244 NZ LYS A 79 -2.216 16.141 2.752 1.00 0.00 N ATOM 0 H LYS A 79 -5.325 13.447 -1.817 1.00 0.00 H new ATOM 0 HA LYS A 79 -2.346 13.287 -1.545 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -2.177 15.566 -0.896 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -3.227 15.659 -2.296 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -4.391 16.960 -0.689 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -5.209 15.412 -0.599 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -4.359 16.678 1.621 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -4.375 14.928 1.521 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -1.999 14.817 1.085 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -1.908 16.517 0.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -1.290 16.597 2.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -2.967 16.792 3.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -2.255 15.273 3.324 1.00 0.00 H new ATOM 1258 N ILE A 80 -2.731 12.757 0.868 1.00 0.00 N ATOM 1259 CA ILE A 80 -3.074 12.202 2.206 1.00 0.00 C ATOM 1260 C ILE A 80 -3.627 13.296 3.110 1.00 0.00 C ATOM 1261 O ILE A 80 -2.903 14.021 3.763 1.00 0.00 O ATOM 1262 CB ILE A 80 -1.769 11.656 2.753 1.00 0.00 C ATOM 1263 CG1 ILE A 80 -1.486 10.298 2.112 1.00 0.00 C ATOM 1264 CG2 ILE A 80 -1.858 11.500 4.273 1.00 0.00 C ATOM 1265 CD1 ILE A 80 -1.066 10.493 0.653 1.00 0.00 C ATOM 0 H ILE A 80 -1.739 12.745 0.630 1.00 0.00 H new ATOM 0 HA ILE A 80 -3.842 11.431 2.148 1.00 0.00 H new ATOM 0 HB ILE A 80 -0.962 12.350 2.519 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -0.698 9.783 2.661 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -2.374 9.669 2.164 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -0.915 11.107 4.654 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -2.057 12.471 4.727 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -2.665 10.811 4.521 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -0.865 9.522 0.199 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -1.868 10.990 0.107 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -0.166 11.106 0.612 1.00 0.00 H new ATOM 1277 N THR A 81 -4.911 13.390 3.149 1.00 0.00 N ATOM 1278 CA THR A 81 -5.581 14.409 4.008 1.00 0.00 C ATOM 1279 C THR A 81 -5.809 13.831 5.404 1.00 0.00 C ATOM 1280 O THR A 81 -6.624 14.321 6.159 1.00 0.00 O ATOM 1281 CB THR A 81 -6.925 14.667 3.326 1.00 0.00 C ATOM 1282 OG1 THR A 81 -7.630 13.440 3.199 1.00 0.00 O ATOM 1283 CG2 THR A 81 -6.692 15.268 1.942 1.00 0.00 C ATOM 0 H THR A 81 -5.547 12.797 2.616 1.00 0.00 H new ATOM 0 HA THR A 81 -4.991 15.319 4.118 1.00 0.00 H new ATOM 0 HB THR A 81 -7.509 15.364 3.926 1.00 0.00 H new ATOM 0 HG1 THR A 81 -8.580 13.587 3.389 1.00 0.00 H new ATOM 0 HG21 THR A 81 -7.652 15.451 1.458 1.00 0.00 H new ATOM 0 HG22 THR A 81 -6.150 16.209 2.040 1.00 0.00 H new ATOM 0 HG23 THR A 81 -6.108 14.574 1.338 1.00 0.00 H new ATOM 1291 N SER A 82 -5.110 12.769 5.730 1.00 0.00 N ATOM 1292 CA SER A 82 -5.280 12.103 7.063 1.00 0.00 C ATOM 1293 C SER A 82 -6.520 11.204 7.039 1.00 0.00 C ATOM 1294 O SER A 82 -6.689 10.341 7.878 1.00 0.00 O ATOM 1295 CB SER A 82 -5.451 13.223 8.088 1.00 0.00 C ATOM 1296 OG SER A 82 -4.693 12.921 9.250 1.00 0.00 O ATOM 0 H SER A 82 -4.420 12.329 5.121 1.00 0.00 H new ATOM 0 HA SER A 82 -4.423 11.477 7.311 1.00 0.00 H new ATOM 0 HB2 SER A 82 -5.123 14.172 7.664 1.00 0.00 H new ATOM 0 HB3 SER A 82 -6.504 13.336 8.347 1.00 0.00 H new ATOM 0 HG SER A 82 -4.801 13.640 9.907 1.00 0.00 H new ATOM 1302 N ASP A 83 -7.381 11.394 6.076 1.00 0.00 N ATOM 1303 CA ASP A 83 -8.601 10.553 5.978 1.00 0.00 C ATOM 1304 C ASP A 83 -8.478 9.634 4.766 1.00 0.00 C ATOM 1305 O ASP A 83 -8.757 8.455 4.839 1.00 0.00 O ATOM 1306 CB ASP A 83 -9.746 11.541 5.780 1.00 0.00 C ATOM 1307 CG ASP A 83 -10.176 12.106 7.135 1.00 0.00 C ATOM 1308 OD1 ASP A 83 -9.623 13.117 7.536 1.00 0.00 O ATOM 1309 OD2 ASP A 83 -11.051 11.519 7.750 1.00 0.00 O ATOM 0 H ASP A 83 -7.288 12.103 5.348 1.00 0.00 H new ATOM 0 HA ASP A 83 -8.756 9.927 6.856 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -9.432 12.350 5.120 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -10.588 11.045 5.297 1.00 0.00 H new ATOM 1314 N LEU A 84 -8.039 10.158 3.652 1.00 0.00 N ATOM 1315 CA LEU A 84 -7.884 9.295 2.454 1.00 0.00 C ATOM 1316 C LEU A 84 -6.795 8.272 2.738 1.00 0.00 C ATOM 1317 O LEU A 84 -6.797 7.177 2.215 1.00 0.00 O ATOM 1318 CB LEU A 84 -7.468 10.233 1.326 1.00 0.00 C ATOM 1319 CG LEU A 84 -8.515 11.335 1.181 1.00 0.00 C ATOM 1320 CD1 LEU A 84 -8.148 12.240 0.003 1.00 0.00 C ATOM 1321 CD2 LEU A 84 -9.885 10.699 0.931 1.00 0.00 C ATOM 0 H LEU A 84 -7.784 11.137 3.524 1.00 0.00 H new ATOM 0 HA LEU A 84 -8.794 8.756 2.193 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -6.491 10.668 1.539 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -7.373 9.679 0.392 1.00 0.00 H new ATOM 0 HG LEU A 84 -8.548 11.929 2.094 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -8.896 13.026 -0.099 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -7.171 12.690 0.180 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -8.115 11.650 -0.913 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -10.636 11.482 0.827 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -9.850 10.106 0.017 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -10.146 10.055 1.771 1.00 0.00 H new ATOM 1333 N LEU A 85 -5.874 8.623 3.591 1.00 0.00 N ATOM 1334 CA LEU A 85 -4.790 7.672 3.941 1.00 0.00 C ATOM 1335 C LEU A 85 -5.293 6.747 5.056 1.00 0.00 C ATOM 1336 O LEU A 85 -4.999 5.569 5.081 1.00 0.00 O ATOM 1337 CB LEU A 85 -3.614 8.564 4.391 1.00 0.00 C ATOM 1338 CG LEU A 85 -3.253 8.296 5.856 1.00 0.00 C ATOM 1339 CD1 LEU A 85 -2.519 6.959 5.966 1.00 0.00 C ATOM 1340 CD2 LEU A 85 -2.351 9.417 6.377 1.00 0.00 C ATOM 0 H LEU A 85 -5.827 9.528 4.059 1.00 0.00 H new ATOM 0 HA LEU A 85 -4.479 7.026 3.120 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -2.747 8.375 3.758 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -3.879 9.614 4.264 1.00 0.00 H new ATOM 0 HG LEU A 85 -4.166 8.260 6.451 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -2.263 6.769 7.008 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -3.163 6.159 5.599 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -1.608 6.994 5.369 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -2.096 9.224 7.419 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -1.439 9.457 5.781 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -2.875 10.370 6.302 1.00 0.00 H new ATOM 1352 N ASP A 86 -6.066 7.277 5.968 1.00 0.00 N ATOM 1353 CA ASP A 86 -6.603 6.428 7.070 1.00 0.00 C ATOM 1354 C ASP A 86 -7.484 5.330 6.482 1.00 0.00 C ATOM 1355 O ASP A 86 -7.642 4.271 7.056 1.00 0.00 O ATOM 1356 CB ASP A 86 -7.426 7.375 7.942 1.00 0.00 C ATOM 1357 CG ASP A 86 -6.554 7.903 9.081 1.00 0.00 C ATOM 1358 OD1 ASP A 86 -5.355 7.688 9.029 1.00 0.00 O ATOM 1359 OD2 ASP A 86 -7.100 8.513 9.985 1.00 0.00 O ATOM 0 H ASP A 86 -6.347 8.257 5.997 1.00 0.00 H new ATOM 0 HA ASP A 86 -5.817 5.940 7.646 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -7.802 8.204 7.343 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -8.294 6.854 8.345 1.00 0.00 H new ATOM 1364 N LYS A 87 -8.037 5.564 5.324 1.00 0.00 N ATOM 1365 CA LYS A 87 -8.880 4.523 4.684 1.00 0.00 C ATOM 1366 C LYS A 87 -7.967 3.610 3.874 1.00 0.00 C ATOM 1367 O LYS A 87 -8.065 2.401 3.941 1.00 0.00 O ATOM 1368 CB LYS A 87 -9.861 5.287 3.791 1.00 0.00 C ATOM 1369 CG LYS A 87 -10.783 6.148 4.661 1.00 0.00 C ATOM 1370 CD LYS A 87 -11.278 5.331 5.857 1.00 0.00 C ATOM 1371 CE LYS A 87 -12.392 6.096 6.577 1.00 0.00 C ATOM 1372 NZ LYS A 87 -11.701 6.858 7.654 1.00 0.00 N ATOM 0 H LYS A 87 -7.940 6.431 4.796 1.00 0.00 H new ATOM 0 HA LYS A 87 -9.425 3.900 5.393 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -9.315 5.916 3.088 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -10.451 4.587 3.200 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -10.249 7.032 5.009 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -11.631 6.499 4.072 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -11.647 4.362 5.520 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -10.454 5.137 6.544 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -12.917 6.765 5.895 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -13.136 5.415 6.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -12.400 7.409 8.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -11.216 6.195 8.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -11.004 7.503 7.230 1.00 0.00 H new ATOM 1386 N ILE A 88 -7.041 4.177 3.148 1.00 0.00 N ATOM 1387 CA ILE A 88 -6.089 3.326 2.389 1.00 0.00 C ATOM 1388 C ILE A 88 -5.352 2.456 3.405 1.00 0.00 C ATOM 1389 O ILE A 88 -5.097 1.288 3.185 1.00 0.00 O ATOM 1390 CB ILE A 88 -5.129 4.300 1.697 1.00 0.00 C ATOM 1391 CG1 ILE A 88 -5.732 4.761 0.377 1.00 0.00 C ATOM 1392 CG2 ILE A 88 -3.789 3.618 1.431 1.00 0.00 C ATOM 1393 CD1 ILE A 88 -5.477 6.258 0.206 1.00 0.00 C ATOM 0 H ILE A 88 -6.906 5.183 3.050 1.00 0.00 H new ATOM 0 HA ILE A 88 -6.564 2.677 1.653 1.00 0.00 H new ATOM 0 HB ILE A 88 -4.969 5.160 2.348 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -5.291 4.207 -0.452 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -6.803 4.558 0.362 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -3.115 4.319 0.939 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -3.351 3.296 2.376 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -3.943 2.751 0.788 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -5.906 6.595 -0.738 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -5.939 6.802 1.030 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -4.403 6.446 0.204 1.00 0.00 H new ATOM 1405 N PHE A 89 -5.037 3.031 4.536 1.00 0.00 N ATOM 1406 CA PHE A 89 -4.345 2.260 5.605 1.00 0.00 C ATOM 1407 C PHE A 89 -5.303 1.207 6.137 1.00 0.00 C ATOM 1408 O PHE A 89 -4.915 0.130 6.546 1.00 0.00 O ATOM 1409 CB PHE A 89 -4.002 3.285 6.686 1.00 0.00 C ATOM 1410 CG PHE A 89 -2.756 2.856 7.419 1.00 0.00 C ATOM 1411 CD1 PHE A 89 -2.798 1.771 8.303 1.00 0.00 C ATOM 1412 CD2 PHE A 89 -1.556 3.548 7.217 1.00 0.00 C ATOM 1413 CE1 PHE A 89 -1.640 1.380 8.986 1.00 0.00 C ATOM 1414 CE2 PHE A 89 -0.398 3.155 7.899 1.00 0.00 C ATOM 1415 CZ PHE A 89 -0.440 2.071 8.784 1.00 0.00 C ATOM 0 H PHE A 89 -5.231 4.006 4.764 1.00 0.00 H new ATOM 0 HA PHE A 89 -3.448 1.749 5.256 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -3.850 4.266 6.235 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -4.832 3.381 7.386 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -3.723 1.236 8.458 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -1.523 4.385 6.535 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -1.673 0.544 9.669 1.00 0.00 H new ATOM 0 HE2 PHE A 89 0.528 3.688 7.742 1.00 0.00 H new ATOM 0 HZ PHE A 89 0.453 1.768 9.310 1.00 0.00 H new ATOM 1425 N ALA A 90 -6.562 1.507 6.083 1.00 0.00 N ATOM 1426 CA ALA A 90 -7.585 0.530 6.524 1.00 0.00 C ATOM 1427 C ALA A 90 -7.578 -0.592 5.501 1.00 0.00 C ATOM 1428 O ALA A 90 -7.787 -1.747 5.808 1.00 0.00 O ATOM 1429 CB ALA A 90 -8.913 1.290 6.505 1.00 0.00 C ATOM 0 H ALA A 90 -6.931 2.397 5.749 1.00 0.00 H new ATOM 0 HA ALA A 90 -7.411 0.110 7.515 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -9.717 0.626 6.821 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -8.856 2.140 7.185 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -9.114 1.647 5.495 1.00 0.00 H new ATOM 1435 N GLY A 91 -7.281 -0.241 4.279 1.00 0.00 N ATOM 1436 CA GLY A 91 -7.192 -1.263 3.212 1.00 0.00 C ATOM 1437 C GLY A 91 -5.963 -2.112 3.517 1.00 0.00 C ATOM 1438 O GLY A 91 -5.999 -3.325 3.472 1.00 0.00 O ATOM 0 H GLY A 91 -7.096 0.716 3.978 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -8.091 -1.878 3.190 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -7.104 -0.793 2.233 1.00 0.00 H new ATOM 1442 N VAL A 92 -4.882 -1.469 3.878 1.00 0.00 N ATOM 1443 CA VAL A 92 -3.656 -2.224 4.244 1.00 0.00 C ATOM 1444 C VAL A 92 -3.999 -3.103 5.442 1.00 0.00 C ATOM 1445 O VAL A 92 -3.397 -4.131 5.680 1.00 0.00 O ATOM 1446 CB VAL A 92 -2.631 -1.155 4.631 1.00 0.00 C ATOM 1447 CG1 VAL A 92 -1.540 -1.775 5.508 1.00 0.00 C ATOM 1448 CG2 VAL A 92 -1.995 -0.578 3.367 1.00 0.00 C ATOM 0 H VAL A 92 -4.800 -0.454 3.934 1.00 0.00 H new ATOM 0 HA VAL A 92 -3.272 -2.859 3.446 1.00 0.00 H new ATOM 0 HB VAL A 92 -3.133 -0.362 5.185 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -0.813 -1.010 5.780 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -1.990 -2.186 6.412 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -1.039 -2.571 4.957 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -1.265 0.183 3.642 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -1.498 -1.375 2.814 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -2.768 -0.131 2.742 1.00 0.00 H new ATOM 1458 N ASP A 93 -4.987 -2.695 6.189 1.00 0.00 N ATOM 1459 CA ASP A 93 -5.418 -3.484 7.372 1.00 0.00 C ATOM 1460 C ASP A 93 -6.225 -4.694 6.903 1.00 0.00 C ATOM 1461 O ASP A 93 -6.238 -5.730 7.538 1.00 0.00 O ATOM 1462 CB ASP A 93 -6.292 -2.522 8.181 1.00 0.00 C ATOM 1463 CG ASP A 93 -5.845 -2.529 9.643 1.00 0.00 C ATOM 1464 OD1 ASP A 93 -5.885 -3.587 10.249 1.00 0.00 O ATOM 1465 OD2 ASP A 93 -5.468 -1.477 10.131 1.00 0.00 O ATOM 0 H ASP A 93 -5.518 -1.840 6.027 1.00 0.00 H new ATOM 0 HA ASP A 93 -4.585 -3.863 7.964 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -6.216 -1.515 7.772 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -7.339 -2.818 8.109 1.00 0.00 H new ATOM 1470 N MET A 94 -6.883 -4.574 5.782 1.00 0.00 N ATOM 1471 CA MET A 94 -7.674 -5.720 5.256 1.00 0.00 C ATOM 1472 C MET A 94 -6.720 -6.747 4.650 1.00 0.00 C ATOM 1473 O MET A 94 -6.798 -7.924 4.934 1.00 0.00 O ATOM 1474 CB MET A 94 -8.590 -5.121 4.189 1.00 0.00 C ATOM 1475 CG MET A 94 -9.876 -4.618 4.848 1.00 0.00 C ATOM 1476 SD MET A 94 -10.219 -2.927 4.295 1.00 0.00 S ATOM 1477 CE MET A 94 -10.308 -3.278 2.522 1.00 0.00 C ATOM 0 H MET A 94 -6.906 -3.731 5.208 1.00 0.00 H new ATOM 0 HA MET A 94 -8.253 -6.229 6.027 1.00 0.00 H new ATOM 0 HB2 MET A 94 -8.085 -4.301 3.679 1.00 0.00 H new ATOM 0 HB3 MET A 94 -8.825 -5.870 3.433 1.00 0.00 H new ATOM 0 HG2 MET A 94 -10.709 -5.272 4.590 1.00 0.00 H new ATOM 0 HG3 MET A 94 -9.775 -4.643 5.933 1.00 0.00 H new ATOM 0 HE1 MET A 94 -9.936 -2.420 1.962 1.00 0.00 H new ATOM 0 HE2 MET A 94 -9.699 -4.153 2.293 1.00 0.00 H new ATOM 0 HE3 MET A 94 -11.343 -3.473 2.241 1.00 0.00 H new ATOM 1487 N ILE A 95 -5.799 -6.307 3.835 1.00 0.00 N ATOM 1488 CA ILE A 95 -4.832 -7.250 3.244 1.00 0.00 C ATOM 1489 C ILE A 95 -4.022 -7.885 4.369 1.00 0.00 C ATOM 1490 O ILE A 95 -3.623 -9.030 4.296 1.00 0.00 O ATOM 1491 CB ILE A 95 -3.955 -6.386 2.347 1.00 0.00 C ATOM 1492 CG1 ILE A 95 -3.425 -5.188 3.135 1.00 0.00 C ATOM 1493 CG2 ILE A 95 -4.778 -5.893 1.160 1.00 0.00 C ATOM 1494 CD1 ILE A 95 -2.193 -4.620 2.429 1.00 0.00 C ATOM 0 H ILE A 95 -5.682 -5.332 3.558 1.00 0.00 H new ATOM 0 HA ILE A 95 -5.294 -8.060 2.680 1.00 0.00 H new ATOM 0 HB ILE A 95 -3.112 -6.978 1.989 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -4.196 -4.422 3.216 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -3.169 -5.491 4.150 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -4.153 -5.274 0.516 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -5.148 -6.748 0.594 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -5.621 -5.304 1.521 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -1.814 -3.766 2.990 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -1.421 -5.387 2.371 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -2.465 -4.302 1.423 1.00 0.00 H new ATOM 1506 N THR A 96 -3.809 -7.153 5.430 1.00 0.00 N ATOM 1507 CA THR A 96 -3.064 -7.721 6.581 1.00 0.00 C ATOM 1508 C THR A 96 -3.919 -8.829 7.181 1.00 0.00 C ATOM 1509 O THR A 96 -3.430 -9.864 7.590 1.00 0.00 O ATOM 1510 CB THR A 96 -2.892 -6.564 7.567 1.00 0.00 C ATOM 1511 OG1 THR A 96 -2.082 -5.558 6.976 1.00 0.00 O ATOM 1512 CG2 THR A 96 -2.224 -7.073 8.844 1.00 0.00 C ATOM 0 H THR A 96 -4.120 -6.188 5.545 1.00 0.00 H new ATOM 0 HA THR A 96 -2.094 -8.140 6.313 1.00 0.00 H new ATOM 0 HB THR A 96 -3.869 -6.148 7.813 1.00 0.00 H new ATOM 0 HG1 THR A 96 -2.581 -5.118 6.256 1.00 0.00 H new ATOM 0 HG21 THR A 96 -2.102 -6.247 9.545 1.00 0.00 H new ATOM 0 HG22 THR A 96 -2.846 -7.845 9.297 1.00 0.00 H new ATOM 0 HG23 THR A 96 -1.247 -7.490 8.602 1.00 0.00 H new ATOM 1520 N ARG A 97 -5.208 -8.622 7.205 1.00 0.00 N ATOM 1521 CA ARG A 97 -6.117 -9.667 7.740 1.00 0.00 C ATOM 1522 C ARG A 97 -6.236 -10.790 6.711 1.00 0.00 C ATOM 1523 O ARG A 97 -6.381 -11.948 7.050 1.00 0.00 O ATOM 1524 CB ARG A 97 -7.461 -8.966 7.941 1.00 0.00 C ATOM 1525 CG ARG A 97 -7.425 -8.159 9.240 1.00 0.00 C ATOM 1526 CD ARG A 97 -8.411 -6.994 9.147 1.00 0.00 C ATOM 1527 NE ARG A 97 -8.440 -6.410 10.517 1.00 0.00 N ATOM 1528 CZ ARG A 97 -9.203 -5.384 10.773 1.00 0.00 C ATOM 1529 NH1 ARG A 97 -8.957 -4.231 10.213 1.00 0.00 N ATOM 1530 NH2 ARG A 97 -10.209 -5.510 11.594 1.00 0.00 N ATOM 0 H ARG A 97 -5.668 -7.773 6.876 1.00 0.00 H new ATOM 0 HA ARG A 97 -5.761 -10.108 8.671 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -7.670 -8.308 7.097 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -8.265 -9.701 7.979 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -7.681 -8.799 10.085 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -6.418 -7.783 9.419 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -8.087 -6.259 8.410 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -9.400 -7.336 8.842 1.00 0.00 H new ATOM 0 HE ARG A 97 -7.863 -6.813 11.255 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -8.168 -4.132 9.575 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -9.554 -3.429 10.414 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -10.398 -6.410 12.035 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -10.807 -4.708 11.795 1.00 0.00 H new ATOM 1544 N MET A 98 -6.141 -10.455 5.449 1.00 0.00 N ATOM 1545 CA MET A 98 -6.211 -11.500 4.396 1.00 0.00 C ATOM 1546 C MET A 98 -4.944 -12.338 4.484 1.00 0.00 C ATOM 1547 O MET A 98 -4.976 -13.550 4.449 1.00 0.00 O ATOM 1548 CB MET A 98 -6.259 -10.737 3.070 1.00 0.00 C ATOM 1549 CG MET A 98 -7.701 -10.667 2.569 1.00 0.00 C ATOM 1550 SD MET A 98 -7.990 -9.061 1.787 1.00 0.00 S ATOM 1551 CE MET A 98 -8.866 -9.673 0.325 1.00 0.00 C ATOM 0 H MET A 98 -6.018 -9.502 5.107 1.00 0.00 H new ATOM 0 HA MET A 98 -7.072 -12.161 4.497 1.00 0.00 H new ATOM 0 HB2 MET A 98 -5.861 -9.731 3.203 1.00 0.00 H new ATOM 0 HB3 MET A 98 -5.630 -11.233 2.331 1.00 0.00 H new ATOM 0 HG2 MET A 98 -7.889 -11.470 1.856 1.00 0.00 H new ATOM 0 HG3 MET A 98 -8.393 -10.809 3.399 1.00 0.00 H new ATOM 0 HE1 MET A 98 -8.655 -9.023 -0.524 1.00 0.00 H new ATOM 0 HE2 MET A 98 -8.532 -10.686 0.098 1.00 0.00 H new ATOM 0 HE3 MET A 98 -9.938 -9.679 0.520 1.00 0.00 H new ATOM 1561 N VAL A 99 -3.826 -11.683 4.626 1.00 0.00 N ATOM 1562 CA VAL A 99 -2.539 -12.410 4.748 1.00 0.00 C ATOM 1563 C VAL A 99 -2.518 -13.176 6.073 1.00 0.00 C ATOM 1564 O VAL A 99 -1.938 -14.237 6.177 1.00 0.00 O ATOM 1565 CB VAL A 99 -1.478 -11.307 4.730 1.00 0.00 C ATOM 1566 CG1 VAL A 99 -0.190 -11.805 5.392 1.00 0.00 C ATOM 1567 CG2 VAL A 99 -1.184 -10.912 3.282 1.00 0.00 C ATOM 0 H VAL A 99 -3.752 -10.666 4.663 1.00 0.00 H new ATOM 0 HA VAL A 99 -2.374 -13.140 3.955 1.00 0.00 H new ATOM 0 HB VAL A 99 -1.851 -10.444 5.281 1.00 0.00 H new ATOM 0 HG11 VAL A 99 0.558 -11.013 5.374 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -0.397 -12.085 6.425 1.00 0.00 H new ATOM 0 HG13 VAL A 99 0.186 -12.672 4.849 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -0.429 -10.126 3.265 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -0.816 -11.780 2.735 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -2.097 -10.547 2.812 1.00 0.00 H new ATOM 1577 N ASP A 100 -3.158 -12.649 7.085 1.00 0.00 N ATOM 1578 CA ASP A 100 -3.183 -13.356 8.394 1.00 0.00 C ATOM 1579 C ASP A 100 -4.081 -14.585 8.290 1.00 0.00 C ATOM 1580 O ASP A 100 -3.838 -15.601 8.910 1.00 0.00 O ATOM 1581 CB ASP A 100 -3.753 -12.345 9.392 1.00 0.00 C ATOM 1582 CG ASP A 100 -2.633 -11.430 9.892 1.00 0.00 C ATOM 1583 OD1 ASP A 100 -1.484 -11.835 9.815 1.00 0.00 O ATOM 1584 OD2 ASP A 100 -2.943 -10.340 10.344 1.00 0.00 O ATOM 0 H ASP A 100 -3.662 -11.763 7.059 1.00 0.00 H new ATOM 0 HA ASP A 100 -2.196 -13.701 8.703 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -4.536 -11.753 8.918 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -4.212 -12.867 10.232 1.00 0.00 H new ATOM 1589 N LYS A 101 -5.101 -14.510 7.483 1.00 0.00 N ATOM 1590 CA LYS A 101 -5.992 -15.679 7.308 1.00 0.00 C ATOM 1591 C LYS A 101 -5.439 -16.514 6.153 1.00 0.00 C ATOM 1592 O LYS A 101 -5.501 -17.727 6.154 1.00 0.00 O ATOM 1593 CB LYS A 101 -7.377 -15.073 7.033 1.00 0.00 C ATOM 1594 CG LYS A 101 -7.897 -15.440 5.644 1.00 0.00 C ATOM 1595 CD LYS A 101 -8.443 -14.195 4.989 1.00 0.00 C ATOM 1596 CE LYS A 101 -9.745 -14.555 4.282 1.00 0.00 C ATOM 1597 NZ LYS A 101 -10.809 -14.441 5.322 1.00 0.00 N ATOM 0 H LYS A 101 -5.353 -13.686 6.938 1.00 0.00 H new ATOM 0 HA LYS A 101 -6.057 -16.349 8.165 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -8.082 -15.422 7.788 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -7.323 -13.988 7.125 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -7.095 -15.864 5.040 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -8.675 -16.200 5.720 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -8.618 -13.420 5.735 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -7.722 -13.794 4.276 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -9.938 -13.880 3.448 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -9.703 -15.564 3.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -11.613 -13.904 4.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -11.128 -15.392 5.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -10.429 -13.948 6.155 1.00 0.00 H new ATOM 1611 N ILE A 102 -4.868 -15.853 5.179 1.00 0.00 N ATOM 1612 CA ILE A 102 -4.272 -16.581 4.030 1.00 0.00 C ATOM 1613 C ILE A 102 -3.093 -17.380 4.559 1.00 0.00 C ATOM 1614 O ILE A 102 -2.859 -18.513 4.186 1.00 0.00 O ATOM 1615 CB ILE A 102 -3.800 -15.492 3.063 1.00 0.00 C ATOM 1616 CG1 ILE A 102 -4.975 -15.035 2.197 1.00 0.00 C ATOM 1617 CG2 ILE A 102 -2.695 -16.041 2.162 1.00 0.00 C ATOM 1618 CD1 ILE A 102 -4.495 -13.971 1.210 1.00 0.00 C ATOM 0 H ILE A 102 -4.791 -14.837 5.134 1.00 0.00 H new ATOM 0 HA ILE A 102 -4.962 -17.264 3.535 1.00 0.00 H new ATOM 0 HB ILE A 102 -3.414 -14.649 3.636 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -5.395 -15.884 1.658 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -5.769 -14.632 2.826 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -2.364 -15.261 1.476 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -1.854 -16.367 2.775 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -3.078 -16.887 1.591 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -5.331 -13.644 0.592 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -4.095 -13.119 1.760 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -3.716 -14.390 0.574 1.00 0.00 H new ATOM 1630 N VAL A 103 -2.367 -16.790 5.460 1.00 0.00 N ATOM 1631 CA VAL A 103 -1.210 -17.495 6.066 1.00 0.00 C ATOM 1632 C VAL A 103 -1.744 -18.611 6.960 1.00 0.00 C ATOM 1633 O VAL A 103 -1.129 -19.643 7.133 1.00 0.00 O ATOM 1634 CB VAL A 103 -0.490 -16.428 6.892 1.00 0.00 C ATOM 1635 CG1 VAL A 103 0.381 -17.096 7.960 1.00 0.00 C ATOM 1636 CG2 VAL A 103 0.397 -15.585 5.973 1.00 0.00 C ATOM 0 H VAL A 103 -2.526 -15.843 5.805 1.00 0.00 H new ATOM 0 HA VAL A 103 -0.539 -17.945 5.335 1.00 0.00 H new ATOM 0 HB VAL A 103 -1.230 -15.791 7.376 1.00 0.00 H new ATOM 0 HG11 VAL A 103 0.891 -16.330 8.545 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -0.247 -17.697 8.618 1.00 0.00 H new ATOM 0 HG13 VAL A 103 1.120 -17.737 7.479 1.00 0.00 H new ATOM 0 HG21 VAL A 103 0.911 -14.824 6.561 1.00 0.00 H new ATOM 0 HG22 VAL A 103 1.133 -16.227 5.488 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -0.220 -15.103 5.215 1.00 0.00 H new ATOM 1646 N SER A 104 -2.901 -18.397 7.523 1.00 0.00 N ATOM 1647 CA SER A 104 -3.512 -19.425 8.410 1.00 0.00 C ATOM 1648 C SER A 104 -4.252 -20.474 7.589 1.00 0.00 C ATOM 1649 O SER A 104 -4.251 -21.648 7.900 1.00 0.00 O ATOM 1650 CB SER A 104 -4.502 -18.649 9.275 1.00 0.00 C ATOM 1651 OG SER A 104 -4.628 -19.291 10.536 1.00 0.00 O ATOM 0 H SER A 104 -3.453 -17.547 7.405 1.00 0.00 H new ATOM 0 HA SER A 104 -2.762 -19.954 8.998 1.00 0.00 H new ATOM 0 HB2 SER A 104 -4.159 -17.623 9.409 1.00 0.00 H new ATOM 0 HB3 SER A 104 -5.472 -18.599 8.781 1.00 0.00 H new ATOM 0 HG SER A 104 -5.262 -18.794 11.094 1.00 0.00 H new ATOM 1657 N GLU A 105 -4.893 -20.044 6.555 1.00 0.00 N ATOM 1658 CA GLU A 105 -5.665 -20.990 5.697 1.00 0.00 C ATOM 1659 C GLU A 105 -5.272 -20.826 4.227 1.00 0.00 C ATOM 1660 O GLU A 105 -5.206 -21.782 3.482 1.00 0.00 O ATOM 1661 CB GLU A 105 -7.133 -20.598 5.896 1.00 0.00 C ATOM 1662 CG GLU A 105 -7.396 -20.291 7.373 1.00 0.00 C ATOM 1663 CD GLU A 105 -8.643 -21.043 7.838 1.00 0.00 C ATOM 1664 OE1 GLU A 105 -8.599 -22.262 7.869 1.00 0.00 O ATOM 1665 OE2 GLU A 105 -9.623 -20.388 8.155 1.00 0.00 O ATOM 0 H GLU A 105 -4.922 -19.069 6.256 1.00 0.00 H new ATOM 0 HA GLU A 105 -5.473 -22.029 5.964 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -7.371 -19.726 5.287 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -7.783 -21.407 5.563 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -6.536 -20.585 7.975 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -7.532 -19.219 7.514 1.00 0.00 H new ATOM 1672 N GLY A 106 -5.017 -19.620 3.805 1.00 0.00 N ATOM 1673 CA GLY A 106 -4.638 -19.396 2.381 1.00 0.00 C ATOM 1674 C GLY A 106 -5.805 -18.741 1.640 1.00 0.00 C ATOM 1675 O GLY A 106 -5.898 -18.810 0.431 1.00 0.00 O ATOM 0 H GLY A 106 -5.054 -18.780 4.383 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -3.754 -18.760 2.324 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -4.379 -20.344 1.909 1.00 0.00 H new ATOM 1679 N SER A 107 -6.695 -18.103 2.353 1.00 0.00 N ATOM 1680 CA SER A 107 -7.853 -17.444 1.683 1.00 0.00 C ATOM 1681 C SER A 107 -7.798 -15.943 1.906 1.00 0.00 C ATOM 1682 O SER A 107 -7.645 -15.481 3.009 1.00 0.00 O ATOM 1683 CB SER A 107 -9.089 -18.035 2.352 1.00 0.00 C ATOM 1684 OG SER A 107 -8.740 -18.512 3.644 1.00 0.00 O ATOM 0 H SER A 107 -6.670 -18.010 3.368 1.00 0.00 H new ATOM 0 HA SER A 107 -7.855 -17.610 0.606 1.00 0.00 H new ATOM 0 HB2 SER A 107 -9.871 -17.280 2.429 1.00 0.00 H new ATOM 0 HB3 SER A 107 -9.490 -18.848 1.747 1.00 0.00 H new ATOM 0 HG SER A 107 -9.533 -18.891 4.078 1.00 0.00 H new ATOM 1690 N ASP A 108 -7.940 -15.180 0.865 1.00 0.00 N ATOM 1691 CA ASP A 108 -7.927 -13.701 1.020 1.00 0.00 C ATOM 1692 C ASP A 108 -9.372 -13.214 1.089 1.00 0.00 C ATOM 1693 O ASP A 108 -9.658 -12.040 0.964 1.00 0.00 O ATOM 1694 CB ASP A 108 -7.230 -13.170 -0.235 1.00 0.00 C ATOM 1695 CG ASP A 108 -8.162 -13.309 -1.439 1.00 0.00 C ATOM 1696 OD1 ASP A 108 -8.188 -14.380 -2.021 1.00 0.00 O ATOM 1697 OD2 ASP A 108 -8.833 -12.342 -1.758 1.00 0.00 O ATOM 0 H ASP A 108 -8.065 -15.516 -0.090 1.00 0.00 H new ATOM 0 HA ASP A 108 -7.414 -13.364 1.921 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -6.954 -12.125 -0.095 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -6.307 -13.722 -0.412 1.00 0.00 H new ATOM 1702 N ASP A 109 -10.291 -14.125 1.276 1.00 0.00 N ATOM 1703 CA ASP A 109 -11.728 -13.733 1.343 1.00 0.00 C ATOM 1704 C ASP A 109 -12.089 -13.208 2.739 1.00 0.00 C ATOM 1705 O ASP A 109 -12.591 -13.935 3.572 1.00 0.00 O ATOM 1706 CB ASP A 109 -12.498 -15.019 1.043 1.00 0.00 C ATOM 1707 CG ASP A 109 -13.188 -14.897 -0.318 1.00 0.00 C ATOM 1708 OD1 ASP A 109 -12.807 -14.021 -1.077 1.00 0.00 O ATOM 1709 OD2 ASP A 109 -14.084 -15.683 -0.577 1.00 0.00 O ATOM 0 H ASP A 109 -10.108 -15.122 1.385 1.00 0.00 H new ATOM 0 HA ASP A 109 -11.964 -12.933 0.641 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -11.818 -15.871 1.042 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -13.238 -15.202 1.822 1.00 0.00 H new ATOM 1714 N ILE A 110 -11.857 -11.948 2.996 1.00 0.00 N ATOM 1715 CA ILE A 110 -12.209 -11.387 4.334 1.00 0.00 C ATOM 1716 C ILE A 110 -13.406 -10.439 4.200 1.00 0.00 C ATOM 1717 O ILE A 110 -13.605 -9.555 5.010 1.00 0.00 O ATOM 1718 CB ILE A 110 -10.969 -10.621 4.805 1.00 0.00 C ATOM 1719 CG1 ILE A 110 -10.531 -9.642 3.717 1.00 0.00 C ATOM 1720 CG2 ILE A 110 -9.826 -11.599 5.099 1.00 0.00 C ATOM 1721 CD1 ILE A 110 -9.533 -8.643 4.306 1.00 0.00 C ATOM 0 H ILE A 110 -11.441 -11.286 2.341 1.00 0.00 H new ATOM 0 HA ILE A 110 -12.486 -12.167 5.044 1.00 0.00 H new ATOM 0 HB ILE A 110 -11.214 -10.074 5.715 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -10.075 -10.183 2.888 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -11.397 -9.115 3.316 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -8.949 -11.044 5.433 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -10.134 -12.295 5.879 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -9.581 -12.155 4.194 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -9.219 -7.943 3.532 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -10.005 -8.094 5.121 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -8.663 -9.179 4.686 1.00 0.00 H new ATOM 1733 N GLY A 111 -14.204 -10.617 3.180 1.00 0.00 N ATOM 1734 CA GLY A 111 -15.386 -9.726 2.990 1.00 0.00 C ATOM 1735 C GLY A 111 -14.936 -8.266 3.055 1.00 0.00 C ATOM 1736 O GLY A 111 -15.716 -7.378 3.337 1.00 0.00 O ATOM 0 H GLY A 111 -14.088 -11.341 2.471 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -15.859 -9.930 2.029 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -16.132 -9.923 3.760 1.00 0.00 H new ATOM 1740 N GLU A 112 -13.683 -8.012 2.802 1.00 0.00 N ATOM 1741 CA GLU A 112 -13.179 -6.607 2.857 1.00 0.00 C ATOM 1742 C GLU A 112 -13.637 -5.806 1.634 1.00 0.00 C ATOM 1743 O GLU A 112 -13.664 -4.592 1.656 1.00 0.00 O ATOM 1744 CB GLU A 112 -11.659 -6.735 2.853 1.00 0.00 C ATOM 1745 CG GLU A 112 -11.230 -7.483 1.594 1.00 0.00 C ATOM 1746 CD GLU A 112 -10.613 -6.500 0.596 1.00 0.00 C ATOM 1747 OE1 GLU A 112 -10.816 -5.308 0.765 1.00 0.00 O ATOM 1748 OE2 GLU A 112 -9.948 -6.955 -0.320 1.00 0.00 O ATOM 0 H GLU A 112 -12.984 -8.714 2.559 1.00 0.00 H new ATOM 0 HA GLU A 112 -13.556 -6.082 3.734 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -11.197 -5.748 2.881 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -11.323 -7.269 3.742 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -10.508 -8.259 1.848 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -12.089 -7.981 1.145 1.00 0.00 H new ATOM 1755 N ASN A 113 -13.984 -6.465 0.561 1.00 0.00 N ATOM 1756 CA ASN A 113 -14.418 -5.715 -0.653 1.00 0.00 C ATOM 1757 C ASN A 113 -13.265 -4.851 -1.162 1.00 0.00 C ATOM 1758 O ASN A 113 -12.545 -4.248 -0.391 1.00 0.00 O ATOM 1759 CB ASN A 113 -15.585 -4.841 -0.188 1.00 0.00 C ATOM 1760 CG ASN A 113 -16.820 -5.149 -1.037 1.00 0.00 C ATOM 1761 OD1 ASN A 113 -16.703 -5.589 -2.163 1.00 0.00 O ATOM 1762 ND2 ASN A 113 -18.008 -4.935 -0.541 1.00 0.00 N ATOM 0 H ASN A 113 -13.986 -7.481 0.472 1.00 0.00 H new ATOM 0 HA ASN A 113 -14.712 -6.374 -1.469 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -15.798 -5.029 0.864 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -15.322 -3.787 -0.277 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -18.838 -5.137 -1.099 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -18.107 -4.566 0.405 1.00 0.00 H new ATOM 1769 N ILE A 114 -13.076 -4.790 -2.450 1.00 0.00 N ATOM 1770 CA ILE A 114 -11.960 -3.962 -2.994 1.00 0.00 C ATOM 1771 C ILE A 114 -12.459 -3.121 -4.164 1.00 0.00 C ATOM 1772 O ILE A 114 -12.525 -1.917 -4.077 1.00 0.00 O ATOM 1773 CB ILE A 114 -10.879 -4.934 -3.475 1.00 0.00 C ATOM 1774 CG1 ILE A 114 -10.988 -6.271 -2.744 1.00 0.00 C ATOM 1775 CG2 ILE A 114 -9.510 -4.329 -3.204 1.00 0.00 C ATOM 1776 CD1 ILE A 114 -11.938 -7.166 -3.525 1.00 0.00 C ATOM 0 H ILE A 114 -13.641 -5.274 -3.148 1.00 0.00 H new ATOM 0 HA ILE A 114 -11.569 -3.286 -2.234 1.00 0.00 H new ATOM 0 HB ILE A 114 -11.014 -5.107 -4.543 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -10.007 -6.739 -2.661 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -11.356 -6.120 -1.729 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -8.735 -5.016 -3.544 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -9.418 -3.384 -3.739 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -9.395 -4.153 -2.134 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -12.030 -8.127 -3.020 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -12.918 -6.692 -3.585 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -11.548 -7.321 -4.531 1.00 0.00 H new ATOM 1788 N ASP A 115 -12.816 -3.742 -5.258 1.00 0.00 N ATOM 1789 CA ASP A 115 -13.314 -2.951 -6.420 1.00 0.00 C ATOM 1790 C ASP A 115 -14.233 -1.852 -5.913 1.00 0.00 C ATOM 1791 O ASP A 115 -14.237 -0.738 -6.399 1.00 0.00 O ATOM 1792 CB ASP A 115 -14.080 -3.947 -7.292 1.00 0.00 C ATOM 1793 CG ASP A 115 -14.161 -3.411 -8.723 1.00 0.00 C ATOM 1794 OD1 ASP A 115 -13.478 -2.441 -9.010 1.00 0.00 O ATOM 1795 OD2 ASP A 115 -14.903 -3.978 -9.507 1.00 0.00 O ATOM 0 H ASP A 115 -12.785 -4.752 -5.396 1.00 0.00 H new ATOM 0 HA ASP A 115 -12.512 -2.475 -6.984 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -13.580 -4.916 -7.282 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -15.082 -4.102 -6.892 1.00 0.00 H new ATOM 1800 N VAL A 116 -14.991 -2.171 -4.918 1.00 0.00 N ATOM 1801 CA VAL A 116 -15.911 -1.171 -4.317 1.00 0.00 C ATOM 1802 C VAL A 116 -15.239 -0.471 -3.145 1.00 0.00 C ATOM 1803 O VAL A 116 -15.306 0.732 -3.001 1.00 0.00 O ATOM 1804 CB VAL A 116 -17.133 -1.972 -3.860 1.00 0.00 C ATOM 1805 CG1 VAL A 116 -17.911 -1.178 -2.807 1.00 0.00 C ATOM 1806 CG2 VAL A 116 -18.041 -2.245 -5.060 1.00 0.00 C ATOM 0 H VAL A 116 -15.017 -3.094 -4.485 1.00 0.00 H new ATOM 0 HA VAL A 116 -16.190 -0.389 -5.023 1.00 0.00 H new ATOM 0 HB VAL A 116 -16.801 -2.916 -3.428 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -18.779 -1.753 -2.486 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -17.267 -0.983 -1.949 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -18.241 -0.232 -3.235 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -18.911 -2.815 -4.735 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -18.368 -1.299 -5.492 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -17.492 -2.816 -5.809 1.00 0.00 H new ATOM 1816 N PHE A 117 -14.593 -1.220 -2.310 1.00 0.00 N ATOM 1817 CA PHE A 117 -13.910 -0.606 -1.136 1.00 0.00 C ATOM 1818 C PHE A 117 -12.807 0.327 -1.619 1.00 0.00 C ATOM 1819 O PHE A 117 -12.518 1.337 -1.008 1.00 0.00 O ATOM 1820 CB PHE A 117 -13.328 -1.780 -0.354 1.00 0.00 C ATOM 1821 CG PHE A 117 -13.437 -1.504 1.126 1.00 0.00 C ATOM 1822 CD1 PHE A 117 -14.604 -1.849 1.818 1.00 0.00 C ATOM 1823 CD2 PHE A 117 -12.373 -0.903 1.805 1.00 0.00 C ATOM 1824 CE1 PHE A 117 -14.706 -1.592 3.190 1.00 0.00 C ATOM 1825 CE2 PHE A 117 -12.474 -0.645 3.177 1.00 0.00 C ATOM 1826 CZ PHE A 117 -13.640 -0.990 3.869 1.00 0.00 C ATOM 0 H PHE A 117 -14.504 -2.233 -2.384 1.00 0.00 H new ATOM 0 HA PHE A 117 -14.585 -0.013 -0.519 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -13.862 -2.697 -0.604 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -12.285 -1.933 -0.630 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -15.426 -2.314 1.293 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -11.473 -0.638 1.271 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -15.606 -1.858 3.724 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -11.652 -0.180 3.701 1.00 0.00 H new ATOM 0 HZ PHE A 117 -13.718 -0.792 4.928 1.00 0.00 H new ATOM 1836 N SER A 118 -12.200 0.008 -2.725 1.00 0.00 N ATOM 1837 CA SER A 118 -11.138 0.878 -3.263 1.00 0.00 C ATOM 1838 C SER A 118 -11.779 1.968 -4.098 1.00 0.00 C ATOM 1839 O SER A 118 -11.422 3.113 -4.023 1.00 0.00 O ATOM 1840 CB SER A 118 -10.270 -0.041 -4.123 1.00 0.00 C ATOM 1841 OG SER A 118 -10.317 0.390 -5.476 1.00 0.00 O ATOM 0 H SER A 118 -12.400 -0.825 -3.279 1.00 0.00 H new ATOM 0 HA SER A 118 -10.544 1.365 -2.490 1.00 0.00 H new ATOM 0 HB2 SER A 118 -9.241 -0.029 -3.762 1.00 0.00 H new ATOM 0 HB3 SER A 118 -10.623 -1.069 -4.046 1.00 0.00 H new ATOM 0 HG SER A 118 -9.436 0.727 -5.743 1.00 0.00 H new ATOM 1847 N ASP A 119 -12.753 1.616 -4.866 1.00 0.00 N ATOM 1848 CA ASP A 119 -13.447 2.638 -5.696 1.00 0.00 C ATOM 1849 C ASP A 119 -14.198 3.588 -4.781 1.00 0.00 C ATOM 1850 O ASP A 119 -14.601 4.664 -5.163 1.00 0.00 O ATOM 1851 CB ASP A 119 -14.401 1.854 -6.599 1.00 0.00 C ATOM 1852 CG ASP A 119 -15.229 2.828 -7.439 1.00 0.00 C ATOM 1853 OD1 ASP A 119 -16.231 3.309 -6.936 1.00 0.00 O ATOM 1854 OD2 ASP A 119 -14.849 3.073 -8.573 1.00 0.00 O ATOM 0 H ASP A 119 -13.106 0.664 -4.961 1.00 0.00 H new ATOM 0 HA ASP A 119 -12.763 3.240 -6.294 1.00 0.00 H new ATOM 0 HB2 ASP A 119 -13.836 1.186 -7.250 1.00 0.00 H new ATOM 0 HB3 ASP A 119 -15.059 1.229 -5.995 1.00 0.00 H new ATOM 1859 N THR A 120 -14.344 3.202 -3.558 1.00 0.00 N ATOM 1860 CA THR A 120 -15.014 4.075 -2.573 1.00 0.00 C ATOM 1861 C THR A 120 -13.947 4.989 -1.993 1.00 0.00 C ATOM 1862 O THR A 120 -14.135 6.172 -1.788 1.00 0.00 O ATOM 1863 CB THR A 120 -15.565 3.099 -1.526 1.00 0.00 C ATOM 1864 OG1 THR A 120 -16.919 2.794 -1.828 1.00 0.00 O ATOM 1865 CG2 THR A 120 -15.478 3.705 -0.127 1.00 0.00 C ATOM 0 H THR A 120 -14.023 2.306 -3.192 1.00 0.00 H new ATOM 0 HA THR A 120 -15.812 4.702 -2.971 1.00 0.00 H new ATOM 0 HB THR A 120 -14.967 2.188 -1.549 1.00 0.00 H new ATOM 0 HG1 THR A 120 -16.960 1.960 -2.341 1.00 0.00 H new ATOM 0 HG21 THR A 120 -15.874 2.997 0.601 1.00 0.00 H new ATOM 0 HG22 THR A 120 -14.437 3.926 0.110 1.00 0.00 H new ATOM 0 HG23 THR A 120 -16.061 4.625 -0.092 1.00 0.00 H new ATOM 1873 N ILE A 121 -12.820 4.408 -1.746 1.00 0.00 N ATOM 1874 CA ILE A 121 -11.665 5.152 -1.184 1.00 0.00 C ATOM 1875 C ILE A 121 -10.941 5.933 -2.285 1.00 0.00 C ATOM 1876 O ILE A 121 -10.499 7.047 -2.080 1.00 0.00 O ATOM 1877 CB ILE A 121 -10.775 4.037 -0.605 1.00 0.00 C ATOM 1878 CG1 ILE A 121 -10.760 4.143 0.921 1.00 0.00 C ATOM 1879 CG2 ILE A 121 -9.340 4.131 -1.144 1.00 0.00 C ATOM 1880 CD1 ILE A 121 -9.586 3.337 1.489 1.00 0.00 C ATOM 0 H ILE A 121 -12.641 3.418 -1.914 1.00 0.00 H new ATOM 0 HA ILE A 121 -11.947 5.893 -0.437 1.00 0.00 H new ATOM 0 HB ILE A 121 -11.187 3.075 -0.910 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -10.674 5.187 1.221 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -11.699 3.770 1.329 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -8.737 3.330 -0.716 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -9.352 4.036 -2.230 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -8.911 5.094 -0.869 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -9.582 3.417 2.576 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -9.691 2.290 1.203 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -8.650 3.730 1.093 1.00 0.00 H new ATOM 1892 N LYS A 122 -10.799 5.354 -3.443 1.00 0.00 N ATOM 1893 CA LYS A 122 -10.092 6.056 -4.530 1.00 0.00 C ATOM 1894 C LYS A 122 -11.022 7.097 -5.134 1.00 0.00 C ATOM 1895 O LYS A 122 -10.598 8.134 -5.605 1.00 0.00 O ATOM 1896 CB LYS A 122 -9.729 4.922 -5.482 1.00 0.00 C ATOM 1897 CG LYS A 122 -10.436 5.050 -6.826 1.00 0.00 C ATOM 1898 CD LYS A 122 -10.469 3.665 -7.447 1.00 0.00 C ATOM 1899 CE LYS A 122 -9.031 3.197 -7.693 1.00 0.00 C ATOM 1900 NZ LYS A 122 -8.929 3.027 -9.170 1.00 0.00 N ATOM 0 H LYS A 122 -11.145 4.423 -3.677 1.00 0.00 H new ATOM 0 HA LYS A 122 -9.204 6.614 -4.234 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -8.651 4.914 -5.640 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -9.991 3.968 -5.025 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -11.446 5.437 -6.694 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -9.908 5.750 -7.474 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -10.984 2.968 -6.786 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -11.024 3.685 -8.385 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -8.310 3.929 -7.329 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -8.826 2.261 -7.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -8.087 2.461 -9.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -9.778 2.541 -9.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -8.851 3.960 -9.622 1.00 0.00 H new ATOM 1914 N SER A 123 -12.294 6.851 -5.068 1.00 0.00 N ATOM 1915 CA SER A 123 -13.256 7.852 -5.578 1.00 0.00 C ATOM 1916 C SER A 123 -13.584 8.795 -4.435 1.00 0.00 C ATOM 1917 O SER A 123 -14.233 9.808 -4.608 1.00 0.00 O ATOM 1918 CB SER A 123 -14.488 7.073 -6.004 1.00 0.00 C ATOM 1919 OG SER A 123 -15.283 7.877 -6.865 1.00 0.00 O ATOM 0 H SER A 123 -12.708 6.002 -4.684 1.00 0.00 H new ATOM 0 HA SER A 123 -12.870 8.434 -6.415 1.00 0.00 H new ATOM 0 HB2 SER A 123 -14.193 6.156 -6.515 1.00 0.00 H new ATOM 0 HB3 SER A 123 -15.066 6.778 -5.128 1.00 0.00 H new ATOM 0 HG SER A 123 -16.077 7.374 -7.141 1.00 0.00 H new ATOM 1925 N PHE A 124 -13.103 8.477 -3.261 1.00 0.00 N ATOM 1926 CA PHE A 124 -13.353 9.372 -2.099 1.00 0.00 C ATOM 1927 C PHE A 124 -12.573 10.667 -2.296 1.00 0.00 C ATOM 1928 O PHE A 124 -12.699 11.609 -1.538 1.00 0.00 O ATOM 1929 CB PHE A 124 -12.838 8.618 -0.874 1.00 0.00 C ATOM 1930 CG PHE A 124 -13.791 8.822 0.280 1.00 0.00 C ATOM 1931 CD1 PHE A 124 -14.087 10.118 0.721 1.00 0.00 C ATOM 1932 CD2 PHE A 124 -14.381 7.717 0.907 1.00 0.00 C ATOM 1933 CE1 PHE A 124 -14.971 10.309 1.790 1.00 0.00 C ATOM 1934 CE2 PHE A 124 -15.265 7.909 1.976 1.00 0.00 C ATOM 1935 CZ PHE A 124 -15.560 9.205 2.417 1.00 0.00 C ATOM 0 H PHE A 124 -12.552 7.642 -3.060 1.00 0.00 H new ATOM 0 HA PHE A 124 -14.407 9.627 -1.987 1.00 0.00 H new ATOM 0 HB2 PHE A 124 -12.746 7.556 -1.100 1.00 0.00 H new ATOM 0 HB3 PHE A 124 -11.844 8.975 -0.606 1.00 0.00 H new ATOM 0 HD1 PHE A 124 -13.633 10.970 0.237 1.00 0.00 H new ATOM 0 HD2 PHE A 124 -14.154 6.718 0.566 1.00 0.00 H new ATOM 0 HE1 PHE A 124 -15.198 11.308 2.131 1.00 0.00 H new ATOM 0 HE2 PHE A 124 -15.719 7.057 2.460 1.00 0.00 H new ATOM 0 HZ PHE A 124 -16.242 9.353 3.241 1.00 0.00 H new