USER MOD reduce.3.24.130724 H: found=0, std=0, add=733, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 731 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 26 THR OG1 : rot -11:sc= 1.38 USER MOD Set 1.2: A 68 HIS : no HD1:sc= 0.991 K(o=2.4,f=-4.9!) USER MOD Set 2.1: A 55 TYR OH : rot 60:sc= 0.809 USER MOD Set 2.2: A 80 TYR OH : rot -37:sc= 0.507 USER MOD Single : A 12 MET CE :methyl -179:sc= -0.492 (180deg=-0.51) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 HIS : no HE2:sc= -0.432 K(o=-0.43,f=-1.6) USER MOD Single : A 17 TYR OH : rot 30:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 29:sc= 0.558 USER MOD Single : A 29 CYS SG : rot 15:sc= 0.204 USER MOD Single : A 34 ASN : amide:sc= -0.0345 K(o=-0.034,f=-1.8!) USER MOD Single : A 36 LYS NZ :NH3+ 164:sc= 0.95 (180deg=0.535) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 172:sc= 1.87 (180deg=1.78) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0.528 USER MOD Single : A 54 HIS : no HD1:sc= -0.072 K(o=-0.072,f=-1.7!) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc=-0.00786 X(o=-0.0079,f=-0.09) USER MOD Single : A 64 THR OG1 : rot 160:sc= 0.654 USER MOD Single : A 65 CYS SG : rot 80:sc= -1.94 USER MOD Single : A 66 SER OG : rot 180:sc=-0.00498 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot -160:sc= -0.0743 USER MOD Single : A 73 THR OG1 : rot -59:sc= 0.881 USER MOD Single : A 79 ASN : amide:sc= -0.023 K(o=-0.023,f=-1.8!) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl 172:sc= -0.0228 (180deg=-0.126) USER MOD Single : A 86 ASN : amide:sc= -0.548! C(o=-0.55!,f=-9.8!) USER MOD Single : A 88 GLN : amide:sc= -0.0663 X(o=-0.066,f=-0.098) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 CYS SG : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 MET CE :methyl 147:sc=-0.00303 (180deg=-0.679) USER MOD Single : A 100 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD ----------------------------------------------------------------- ATOM 66 N ALA A 7 -1.636 9.979 3.954 1.00 0.00 N ATOM 67 CA ALA A 7 -3.041 10.236 3.667 1.00 0.00 C ATOM 68 C ALA A 7 -3.616 11.279 4.620 1.00 0.00 C ATOM 69 O ALA A 7 -3.167 11.405 5.759 1.00 0.00 O ATOM 70 CB ALA A 7 -3.847 8.948 3.740 1.00 0.00 C ATOM 0 HA ALA A 7 -3.108 10.631 2.653 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -4.894 9.161 3.523 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -3.462 8.236 3.010 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -3.763 8.523 4.740 1.00 0.00 H new ATOM 76 N PRO A 8 -4.606 12.026 4.147 1.00 0.00 N ATOM 77 CA PRO A 8 -5.215 13.084 4.944 1.00 0.00 C ATOM 78 C PRO A 8 -5.929 12.514 6.163 1.00 0.00 C ATOM 79 O PRO A 8 -6.633 11.506 6.071 1.00 0.00 O ATOM 80 CB PRO A 8 -6.184 13.770 3.976 1.00 0.00 C ATOM 81 CG PRO A 8 -6.447 12.747 2.925 1.00 0.00 C ATOM 82 CD PRO A 8 -5.157 11.983 2.780 1.00 0.00 C ATOM 0 HA PRO A 8 -4.483 13.782 5.349 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -7.104 14.068 4.479 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -5.747 14.673 3.550 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -7.264 12.087 3.215 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -6.734 13.215 1.984 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -5.327 10.960 2.443 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -4.488 12.450 2.058 1.00 0.00 H new ATOM 90 N PHE A 9 -5.743 13.161 7.310 1.00 0.00 N ATOM 91 CA PHE A 9 -6.377 12.727 8.547 1.00 0.00 C ATOM 92 C PHE A 9 -6.630 13.905 9.477 1.00 0.00 C ATOM 93 O PHE A 9 -5.704 14.620 9.856 1.00 0.00 O ATOM 94 CB PHE A 9 -5.516 11.676 9.249 1.00 0.00 C ATOM 95 CG PHE A 9 -6.064 11.231 10.575 1.00 0.00 C ATOM 96 CD1 PHE A 9 -7.106 10.319 10.640 1.00 0.00 C ATOM 97 CD2 PHE A 9 -5.538 11.725 11.760 1.00 0.00 C ATOM 98 CE1 PHE A 9 -7.611 9.910 11.860 1.00 0.00 C ATOM 99 CE2 PHE A 9 -6.040 11.316 12.980 1.00 0.00 C ATOM 100 CZ PHE A 9 -7.077 10.407 13.030 1.00 0.00 C ATOM 0 H PHE A 9 -5.156 13.990 7.407 1.00 0.00 H new ATOM 0 HA PHE A 9 -7.339 12.282 8.292 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -5.416 10.808 8.598 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -4.515 12.080 9.397 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -7.528 9.924 9.728 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -4.727 12.437 11.728 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -8.424 9.201 11.897 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -5.621 11.708 13.895 1.00 0.00 H new ATOM 0 HZ PHE A 9 -7.469 10.086 13.983 1.00 0.00 H new ATOM 110 N PHE A 10 -7.894 14.101 9.844 1.00 0.00 N ATOM 111 CA PHE A 10 -8.270 15.187 10.744 1.00 0.00 C ATOM 112 C PHE A 10 -7.785 14.917 12.166 1.00 0.00 C ATOM 113 O PHE A 10 -8.534 14.414 13.000 1.00 0.00 O ATOM 114 CB PHE A 10 -9.786 15.388 10.732 1.00 0.00 C ATOM 115 CG PHE A 10 -10.325 15.856 9.410 1.00 0.00 C ATOM 116 CD1 PHE A 10 -10.181 17.176 9.014 1.00 0.00 C ATOM 117 CD2 PHE A 10 -10.978 14.974 8.560 1.00 0.00 C ATOM 118 CE1 PHE A 10 -10.677 17.608 7.799 1.00 0.00 C ATOM 119 CE2 PHE A 10 -11.474 15.404 7.344 1.00 0.00 C ATOM 120 CZ PHE A 10 -11.325 16.720 6.963 1.00 0.00 C ATOM 0 H PHE A 10 -8.674 13.522 9.532 1.00 0.00 H new ATOM 0 HA PHE A 10 -7.790 16.099 10.389 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -10.270 14.448 10.999 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -10.053 16.114 11.500 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -9.675 17.876 9.663 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -11.100 13.941 8.852 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -10.558 18.640 7.503 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -11.979 14.708 6.691 1.00 0.00 H new ATOM 0 HZ PHE A 10 -11.714 17.056 6.013 1.00 0.00 H new ATOM 130 N GLU A 11 -6.527 15.254 12.427 1.00 0.00 N ATOM 131 CA GLU A 11 -5.958 15.104 13.760 1.00 0.00 C ATOM 132 C GLU A 11 -6.571 16.101 14.737 1.00 0.00 C ATOM 133 O GLU A 11 -6.446 15.952 15.952 1.00 0.00 O ATOM 134 CB GLU A 11 -4.439 15.277 13.715 1.00 0.00 C ATOM 135 CG GLU A 11 -3.976 16.671 13.315 1.00 0.00 C ATOM 136 CD GLU A 11 -2.478 16.783 13.360 1.00 0.00 C ATOM 137 OE1 GLU A 11 -1.845 15.864 13.821 1.00 0.00 O ATOM 138 OE2 GLU A 11 -1.957 17.737 12.831 1.00 0.00 O1- ATOM 0 H GLU A 11 -5.882 15.633 11.733 1.00 0.00 H new ATOM 0 HA GLU A 11 -6.190 14.098 14.111 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -4.029 15.039 14.697 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -4.024 14.554 13.013 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -4.330 16.899 12.310 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -4.418 17.409 13.984 1.00 0.00 H new ATOM 145 N MET A 12 -7.233 17.119 14.195 1.00 0.00 N ATOM 146 CA MET A 12 -8.091 17.987 14.995 1.00 0.00 C ATOM 147 C MET A 12 -9.381 18.317 14.258 1.00 0.00 C ATOM 148 O MET A 12 -9.378 19.095 13.303 1.00 0.00 O ATOM 149 CB MET A 12 -7.349 19.270 15.362 1.00 0.00 C ATOM 150 CG MET A 12 -8.135 20.216 16.259 1.00 0.00 C ATOM 151 SD MET A 12 -7.216 21.715 16.663 1.00 0.00 S ATOM 152 CE MET A 12 -7.395 22.642 15.141 1.00 0.00 C ATOM 0 H MET A 12 -7.192 17.363 13.205 1.00 0.00 H new ATOM 0 HA MET A 12 -8.352 17.454 15.909 1.00 0.00 H new ATOM 0 HB2 MET A 12 -6.417 19.006 15.861 1.00 0.00 H new ATOM 0 HB3 MET A 12 -7.082 19.796 14.445 1.00 0.00 H new ATOM 0 HG2 MET A 12 -9.067 20.488 15.765 1.00 0.00 H new ATOM 0 HG3 MET A 12 -8.402 19.699 17.181 1.00 0.00 H new ATOM 0 HE1 MET A 12 -6.864 23.590 15.228 1.00 0.00 H new ATOM 0 HE2 MET A 12 -6.979 22.067 14.314 1.00 0.00 H new ATOM 0 HE3 MET A 12 -8.452 22.834 14.954 1.00 0.00 H new ATOM 162 N LYS A 13 -10.484 17.724 14.707 1.00 0.00 N ATOM 163 CA LYS A 13 -11.754 17.838 14.004 1.00 0.00 C ATOM 164 C LYS A 13 -12.576 19.011 14.528 1.00 0.00 C ATOM 165 O LYS A 13 -12.276 19.561 15.590 1.00 0.00 O ATOM 166 CB LYS A 13 -12.553 16.539 14.129 1.00 0.00 C ATOM 167 CG LYS A 13 -11.929 15.346 13.417 1.00 0.00 C ATOM 168 CD LYS A 13 -12.772 14.092 13.594 1.00 0.00 C ATOM 169 CE LYS A 13 -12.153 12.901 12.879 1.00 0.00 C ATOM 170 NZ LYS A 13 -12.966 11.666 13.047 1.00 0.00 N1+ ATOM 0 H LYS A 13 -10.522 17.159 15.556 1.00 0.00 H new ATOM 0 HA LYS A 13 -11.535 18.021 12.952 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -12.667 16.297 15.186 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -13.554 16.702 13.729 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -11.823 15.568 12.355 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -10.927 15.171 13.807 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -12.874 13.868 14.656 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -13.776 14.269 13.207 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -12.053 13.127 11.818 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -11.148 12.729 13.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -12.509 10.878 12.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -13.041 11.435 14.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -13.917 11.821 12.656 1.00 0.00 H new ATOM 184 N LEU A 14 -13.603 19.391 13.777 1.00 0.00 N ATOM 185 CA LEU A 14 -14.540 20.413 14.224 1.00 0.00 C ATOM 186 C LEU A 14 -15.578 19.829 15.173 1.00 0.00 C ATOM 187 O LEU A 14 -15.940 18.658 15.071 1.00 0.00 O ATOM 188 CB LEU A 14 -15.228 21.067 13.019 1.00 0.00 C ATOM 189 CG LEU A 14 -14.298 21.851 12.084 1.00 0.00 C ATOM 190 CD1 LEU A 14 -15.064 22.308 10.850 1.00 0.00 C ATOM 191 CD2 LEU A 14 -13.714 23.042 12.828 1.00 0.00 C ATOM 0 H LEU A 14 -13.808 19.006 12.855 1.00 0.00 H new ATOM 0 HA LEU A 14 -13.978 21.174 14.766 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -15.728 20.290 12.441 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -16.003 21.741 13.385 1.00 0.00 H new ATOM 0 HG LEU A 14 -13.481 21.206 11.759 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -14.396 22.864 10.192 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -15.454 21.438 10.321 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -15.892 22.950 11.152 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -13.053 23.598 12.163 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -14.521 23.692 13.165 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -13.148 22.690 13.691 1.00 0.00 H new ATOM 203 N LYS A 15 -16.056 20.657 16.098 1.00 0.00 N ATOM 204 CA LYS A 15 -17.055 20.225 17.069 1.00 0.00 C ATOM 205 C LYS A 15 -18.420 20.826 16.758 1.00 0.00 C ATOM 206 O LYS A 15 -18.536 21.731 15.928 1.00 0.00 O ATOM 207 CB LYS A 15 -16.624 20.604 18.486 1.00 0.00 C ATOM 208 CG LYS A 15 -15.301 19.992 18.926 1.00 0.00 C ATOM 209 CD LYS A 15 -14.975 20.356 20.366 1.00 0.00 C ATOM 210 CE LYS A 15 -13.696 19.677 20.834 1.00 0.00 C ATOM 211 NZ LYS A 15 -13.365 20.020 22.244 1.00 0.00 N1+ ATOM 0 H LYS A 15 -15.767 21.630 16.195 1.00 0.00 H new ATOM 0 HA LYS A 15 -17.137 19.140 17.003 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -16.548 21.689 18.551 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -17.403 20.296 19.184 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -15.348 18.908 18.825 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -14.502 20.339 18.271 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -14.868 21.437 20.454 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -15.802 20.063 21.013 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -13.804 18.596 20.740 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -12.871 19.973 20.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -12.487 19.537 22.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -13.236 21.048 22.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -14.140 19.715 22.867 1.00 0.00 H new ATOM 225 N HIS A 16 -19.450 20.321 17.430 1.00 0.00 N ATOM 226 CA HIS A 16 -20.777 20.924 17.363 1.00 0.00 C ATOM 227 C HIS A 16 -20.811 22.258 18.095 1.00 0.00 C ATOM 228 O HIS A 16 -20.719 22.304 19.323 1.00 0.00 O ATOM 229 CB HIS A 16 -21.831 19.978 17.945 1.00 0.00 C ATOM 230 CG HIS A 16 -23.228 20.511 17.862 1.00 0.00 C ATOM 231 ND1 HIS A 16 -24.288 19.924 18.521 1.00 0.00 N ATOM 232 CD2 HIS A 16 -23.739 21.574 17.198 1.00 0.00 C ATOM 233 CE1 HIS A 16 -25.391 20.605 18.266 1.00 0.00 C ATOM 234 NE2 HIS A 16 -25.085 21.610 17.465 1.00 0.00 N ATOM 0 H HIS A 16 -19.391 19.496 18.027 1.00 0.00 H new ATOM 0 HA HIS A 16 -21.007 21.103 16.313 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -21.783 19.025 17.417 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -21.589 19.777 18.989 1.00 0.00 H new ATOM 0 HD1 HIS A 16 -24.230 19.095 19.112 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -23.190 22.265 16.575 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -26.376 20.379 18.648 1.00 0.00 H new ATOM 242 N TYR A 17 -20.951 23.342 17.340 1.00 0.00 N ATOM 243 CA TYR A 17 -20.858 24.686 17.899 1.00 0.00 C ATOM 244 C TYR A 17 -22.240 25.282 18.132 1.00 0.00 C ATOM 245 O TYR A 17 -23.161 25.064 17.343 1.00 0.00 O ATOM 246 CB TYR A 17 -20.044 25.595 16.977 1.00 0.00 C ATOM 247 CG TYR A 17 -18.628 25.117 16.740 1.00 0.00 C ATOM 248 CD1 TYR A 17 -17.690 25.139 17.762 1.00 0.00 C ATOM 249 CD2 TYR A 17 -18.232 24.649 15.495 1.00 0.00 C ATOM 250 CE1 TYR A 17 -16.396 24.703 17.551 1.00 0.00 C ATOM 251 CE2 TYR A 17 -16.941 24.211 15.274 1.00 0.00 C ATOM 252 CZ TYR A 17 -16.024 24.240 16.306 1.00 0.00 C ATOM 253 OH TYR A 17 -14.737 23.808 16.090 1.00 0.00 O ATOM 0 H TYR A 17 -21.130 23.316 16.336 1.00 0.00 H new ATOM 0 HA TYR A 17 -20.351 24.612 18.861 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -20.555 25.675 16.018 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -20.012 26.597 17.406 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -17.976 25.503 18.738 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -18.946 24.627 14.685 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -15.678 24.725 18.358 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -16.650 23.848 14.299 1.00 0.00 H new ATOM 0 HH TYR A 17 -14.370 23.443 16.922 1.00 0.00 H new ATOM 263 N LYS A 18 -22.378 26.036 19.217 1.00 0.00 N ATOM 264 CA LYS A 18 -23.650 26.657 19.560 1.00 0.00 C ATOM 265 C LYS A 18 -23.512 28.170 19.672 1.00 0.00 C ATOM 266 O LYS A 18 -23.018 28.686 20.674 1.00 0.00 O ATOM 267 CB LYS A 18 -24.191 26.079 20.870 1.00 0.00 C ATOM 268 CG LYS A 18 -24.519 24.593 20.813 1.00 0.00 C ATOM 269 CD LYS A 18 -25.153 24.116 22.112 1.00 0.00 C ATOM 270 CE LYS A 18 -25.478 22.632 22.057 1.00 0.00 C ATOM 271 NZ LYS A 18 -26.128 22.158 23.309 1.00 0.00 N1+ ATOM 0 H LYS A 18 -21.623 26.232 19.874 1.00 0.00 H new ATOM 0 HA LYS A 18 -24.355 26.438 18.758 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -23.457 26.247 21.658 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -25.091 26.627 21.151 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -25.198 24.400 19.982 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -23.609 24.025 20.620 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -24.475 24.311 22.943 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -26.064 24.683 22.304 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -26.136 22.436 21.210 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -24.562 22.066 21.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -26.333 21.141 23.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -25.491 22.321 24.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -27.015 22.680 23.458 1.00 0.00 H new ATOM 285 N ILE A 19 -23.955 28.875 18.638 1.00 0.00 N ATOM 286 CA ILE A 19 -23.731 30.315 18.539 1.00 0.00 C ATOM 287 C ILE A 19 -25.046 31.070 18.426 1.00 0.00 C ATOM 288 O ILE A 19 -25.980 30.619 17.761 1.00 0.00 O ATOM 289 CB ILE A 19 -22.843 30.666 17.331 1.00 0.00 C ATOM 290 CG1 ILE A 19 -21.495 29.948 17.436 1.00 0.00 C ATOM 291 CG2 ILE A 19 -22.642 32.170 17.238 1.00 0.00 C ATOM 292 CD1 ILE A 19 -20.660 30.387 18.618 1.00 0.00 C ATOM 0 H ILE A 19 -24.472 28.474 17.855 1.00 0.00 H new ATOM 0 HA ILE A 19 -23.221 30.617 19.454 1.00 0.00 H new ATOM 0 HB ILE A 19 -23.343 30.331 16.423 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -21.670 28.874 17.506 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -20.930 30.120 16.520 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -22.012 32.400 16.379 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -23.609 32.660 17.121 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -22.161 32.530 18.147 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -19.721 29.834 18.625 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -20.453 31.454 18.541 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -21.204 30.189 19.541 1.00 0.00 H new ATOM 304 N PHE A 20 -25.119 32.225 19.084 1.00 0.00 N ATOM 305 CA PHE A 20 -26.322 33.048 19.055 1.00 0.00 C ATOM 306 C PHE A 20 -26.482 33.744 17.714 1.00 0.00 C ATOM 307 O PHE A 20 -25.500 34.099 17.065 1.00 0.00 O ATOM 308 CB PHE A 20 -26.290 34.082 20.183 1.00 0.00 C ATOM 309 CG PHE A 20 -26.648 33.521 21.530 1.00 0.00 C ATOM 310 CD1 PHE A 20 -27.962 33.202 21.838 1.00 0.00 C ATOM 311 CD2 PHE A 20 -25.671 33.310 22.491 1.00 0.00 C ATOM 312 CE1 PHE A 20 -28.293 32.688 23.076 1.00 0.00 C ATOM 313 CE2 PHE A 20 -26.000 32.795 23.731 1.00 0.00 C ATOM 314 CZ PHE A 20 -27.310 32.484 24.024 1.00 0.00 C ATOM 0 H PHE A 20 -24.358 32.611 19.643 1.00 0.00 H new ATOM 0 HA PHE A 20 -27.179 32.390 19.200 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -25.293 34.518 20.235 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -26.980 34.891 19.942 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -28.736 33.357 21.101 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -24.642 33.551 22.268 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -29.321 32.446 23.303 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -25.229 32.636 24.471 1.00 0.00 H new ATOM 0 HZ PHE A 20 -27.567 32.082 24.993 1.00 0.00 H new ATOM 324 N GLU A 21 -27.733 33.935 17.297 1.00 0.00 N ATOM 325 CA GLU A 21 -28.024 34.570 16.018 1.00 0.00 C ATOM 326 C GLU A 21 -27.352 35.932 15.912 1.00 0.00 C ATOM 327 O GLU A 21 -27.607 36.827 16.717 1.00 0.00 O ATOM 328 CB GLU A 21 -29.536 34.713 15.823 1.00 0.00 C ATOM 329 CG GLU A 21 -29.945 35.289 14.476 1.00 0.00 C ATOM 330 CD GLU A 21 -31.437 35.445 14.378 1.00 0.00 C ATOM 331 OE1 GLU A 21 -32.128 34.884 15.194 1.00 0.00 O ATOM 332 OE2 GLU A 21 -31.881 36.214 13.559 1.00 0.00 O1- ATOM 0 H GLU A 21 -28.559 33.658 17.828 1.00 0.00 H new ATOM 0 HA GLU A 21 -27.623 33.931 15.231 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -29.999 33.733 15.941 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -29.933 35.351 16.613 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -29.466 36.257 14.332 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -29.592 34.637 13.677 1.00 0.00 H new ATOM 339 N GLY A 22 -26.489 36.084 14.913 1.00 0.00 N ATOM 340 CA GLY A 22 -25.851 37.367 14.640 1.00 0.00 C ATOM 341 C GLY A 22 -24.469 37.440 15.278 1.00 0.00 C ATOM 342 O GLY A 22 -23.685 38.341 14.979 1.00 0.00 O ATOM 0 H GLY A 22 -26.215 35.334 14.278 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -25.766 37.512 13.563 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -26.474 38.175 15.022 1.00 0.00 H new ATOM 346 N MET A 23 -24.176 36.489 16.157 1.00 0.00 N ATOM 347 CA MET A 23 -22.902 36.463 16.862 1.00 0.00 C ATOM 348 C MET A 23 -21.798 35.881 15.990 1.00 0.00 C ATOM 349 O MET A 23 -21.985 34.854 15.338 1.00 0.00 O ATOM 350 CB MET A 23 -23.032 35.661 18.155 1.00 0.00 C ATOM 351 CG MET A 23 -21.740 35.529 18.948 1.00 0.00 C ATOM 352 SD MET A 23 -21.967 34.654 20.510 1.00 0.00 S ATOM 353 CE MET A 23 -20.280 34.186 20.884 1.00 0.00 C ATOM 0 H MET A 23 -24.806 35.724 16.398 1.00 0.00 H new ATOM 0 HA MET A 23 -22.631 37.490 17.105 1.00 0.00 H new ATOM 0 HB2 MET A 23 -23.784 36.133 18.787 1.00 0.00 H new ATOM 0 HB3 MET A 23 -23.399 34.663 17.914 1.00 0.00 H new ATOM 0 HG2 MET A 23 -21.001 35.002 18.345 1.00 0.00 H new ATOM 0 HG3 MET A 23 -21.338 36.522 19.148 1.00 0.00 H new ATOM 0 HE1 MET A 23 -20.255 33.635 21.824 1.00 0.00 H new ATOM 0 HE2 MET A 23 -19.891 33.556 20.084 1.00 0.00 H new ATOM 0 HE3 MET A 23 -19.665 35.082 20.972 1.00 0.00 H new ATOM 363 N PRO A 24 -20.647 36.544 15.985 1.00 0.00 N ATOM 364 CA PRO A 24 -19.485 36.050 15.253 1.00 0.00 C ATOM 365 C PRO A 24 -18.919 34.791 15.901 1.00 0.00 C ATOM 366 O PRO A 24 -18.994 34.619 17.115 1.00 0.00 O ATOM 367 CB PRO A 24 -18.494 37.215 15.295 1.00 0.00 C ATOM 368 CG PRO A 24 -18.844 37.958 16.539 1.00 0.00 C ATOM 369 CD PRO A 24 -20.340 37.843 16.663 1.00 0.00 C ATOM 0 HA PRO A 24 -19.724 35.756 14.231 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -17.464 36.859 15.322 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -18.589 37.849 14.414 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -18.343 37.529 17.407 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -18.534 39.001 16.475 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -20.657 37.836 17.706 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -20.848 38.678 16.180 1.00 0.00 H new ATOM 377 N VAL A 25 -18.349 33.914 15.078 1.00 0.00 N ATOM 378 CA VAL A 25 -17.757 32.678 15.571 1.00 0.00 C ATOM 379 C VAL A 25 -16.547 32.277 14.734 1.00 0.00 C ATOM 380 O VAL A 25 -16.594 32.311 13.505 1.00 0.00 O ATOM 381 CB VAL A 25 -18.777 31.524 15.570 1.00 0.00 C ATOM 382 CG1 VAL A 25 -19.317 31.291 14.167 1.00 0.00 C ATOM 383 CG2 VAL A 25 -18.143 30.252 16.113 1.00 0.00 C ATOM 0 H VAL A 25 -18.286 34.038 14.068 1.00 0.00 H new ATOM 0 HA VAL A 25 -17.439 32.867 16.596 1.00 0.00 H new ATOM 0 HB VAL A 25 -19.609 31.800 16.219 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -20.036 30.472 14.185 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -19.807 32.197 13.811 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -18.495 31.037 13.498 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -18.878 29.447 16.105 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -17.294 29.974 15.489 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -17.803 30.422 17.134 1.00 0.00 H new ATOM 393 N THR A 26 -15.469 31.894 15.409 1.00 0.00 N ATOM 394 CA THR A 26 -14.284 31.381 14.730 1.00 0.00 C ATOM 395 C THR A 26 -14.026 29.923 15.096 1.00 0.00 C ATOM 396 O THR A 26 -14.012 29.561 16.273 1.00 0.00 O ATOM 397 CB THR A 26 -13.033 32.214 15.070 1.00 0.00 C ATOM 398 OG1 THR A 26 -13.247 33.579 14.691 1.00 0.00 O ATOM 399 CG2 THR A 26 -11.815 31.672 14.337 1.00 0.00 C ATOM 0 H THR A 26 -15.391 31.929 16.425 1.00 0.00 H new ATOM 0 HA THR A 26 -14.479 31.455 13.660 1.00 0.00 H new ATOM 0 HB THR A 26 -12.855 32.152 16.144 1.00 0.00 H new ATOM 0 HG1 THR A 26 -14.058 33.644 14.145 1.00 0.00 H new ATOM 0 HG21 THR A 26 -10.941 32.273 14.589 1.00 0.00 H new ATOM 0 HG22 THR A 26 -11.642 30.638 14.634 1.00 0.00 H new ATOM 0 HG23 THR A 26 -11.988 31.717 13.262 1.00 0.00 H new ATOM 407 N PHE A 27 -13.826 29.093 14.080 1.00 0.00 N ATOM 408 CA PHE A 27 -13.498 27.688 14.294 1.00 0.00 C ATOM 409 C PHE A 27 -12.463 27.205 13.282 1.00 0.00 C ATOM 410 O PHE A 27 -12.344 27.762 12.191 1.00 0.00 O ATOM 411 CB PHE A 27 -14.759 26.826 14.210 1.00 0.00 C ATOM 412 CG PHE A 27 -15.579 27.069 12.975 1.00 0.00 C ATOM 413 CD1 PHE A 27 -16.561 28.047 12.957 1.00 0.00 C ATOM 414 CD2 PHE A 27 -15.367 26.319 11.827 1.00 0.00 C ATOM 415 CE1 PHE A 27 -17.316 28.270 11.823 1.00 0.00 C ATOM 416 CE2 PHE A 27 -16.120 26.542 10.690 1.00 0.00 C ATOM 417 CZ PHE A 27 -17.094 27.517 10.688 1.00 0.00 C ATOM 0 H PHE A 27 -13.885 29.368 13.099 1.00 0.00 H new ATOM 0 HA PHE A 27 -13.070 27.592 15.292 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -14.472 25.775 14.243 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -15.377 27.016 15.088 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -16.738 28.642 13.841 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -14.606 25.553 11.822 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -18.080 29.033 11.824 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -15.945 25.952 9.803 1.00 0.00 H new ATOM 0 HZ PHE A 27 -17.683 27.692 9.800 1.00 0.00 H new ATOM 427 N THR A 28 -11.717 26.173 13.654 1.00 0.00 N ATOM 428 CA THR A 28 -10.534 25.772 12.902 1.00 0.00 C ATOM 429 C THR A 28 -10.313 24.266 12.982 1.00 0.00 C ATOM 430 O THR A 28 -10.762 23.614 13.924 1.00 0.00 O ATOM 431 CB THR A 28 -9.272 26.494 13.409 1.00 0.00 C ATOM 432 OG1 THR A 28 -8.155 26.149 12.579 1.00 0.00 O ATOM 433 CG2 THR A 28 -8.973 26.098 14.847 1.00 0.00 C ATOM 0 H THR A 28 -11.910 25.597 14.473 1.00 0.00 H new ATOM 0 HA THR A 28 -10.711 26.054 11.864 1.00 0.00 H new ATOM 0 HB THR A 28 -9.445 27.569 13.368 1.00 0.00 H new ATOM 0 HG1 THR A 28 -8.471 25.939 11.676 1.00 0.00 H new ATOM 0 HG21 THR A 28 -8.078 26.618 15.189 1.00 0.00 H new ATOM 0 HG22 THR A 28 -9.816 26.371 15.482 1.00 0.00 H new ATOM 0 HG23 THR A 28 -8.811 25.022 14.902 1.00 0.00 H new ATOM 441 N CYS A 29 -9.617 23.719 11.990 1.00 0.00 N ATOM 442 CA CYS A 29 -9.407 22.279 11.904 1.00 0.00 C ATOM 443 C CYS A 29 -8.035 21.958 11.333 1.00 0.00 C ATOM 444 O CYS A 29 -7.555 22.634 10.421 1.00 0.00 O ATOM 445 CB CYS A 29 -10.508 21.834 10.940 1.00 0.00 C ATOM 446 SG CYS A 29 -10.633 20.043 10.720 1.00 0.00 S ATOM 0 H CYS A 29 -9.189 24.253 11.234 1.00 0.00 H new ATOM 0 HA CYS A 29 -9.446 21.782 12.873 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -11.465 22.211 11.302 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -10.331 22.295 9.968 1.00 0.00 H new ATOM 0 HG CYS A 29 -9.964 19.443 11.659 1.00 0.00 H new ATOM 452 N ARG A 30 -7.402 20.920 11.872 1.00 0.00 N ATOM 453 CA ARG A 30 -6.025 20.600 11.528 1.00 0.00 C ATOM 454 C ARG A 30 -5.921 19.204 10.923 1.00 0.00 C ATOM 455 O ARG A 30 -6.472 18.242 11.458 1.00 0.00 O ATOM 456 CB ARG A 30 -5.084 20.769 12.713 1.00 0.00 C ATOM 457 CG ARG A 30 -3.614 20.543 12.399 1.00 0.00 C ATOM 458 CD ARG A 30 -2.707 20.714 13.563 1.00 0.00 C ATOM 459 NE ARG A 30 -1.335 20.295 13.323 1.00 0.00 N ATOM 460 CZ ARG A 30 -0.380 21.078 12.785 1.00 0.00 C ATOM 461 NH1 ARG A 30 -0.649 22.305 12.395 1.00 0.00 N1+ ATOM 462 NH2 ARG A 30 0.832 20.572 12.638 1.00 0.00 N ATOM 0 H ARG A 30 -7.824 20.286 12.550 1.00 0.00 H new ATOM 0 HA ARG A 30 -5.706 21.316 10.771 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -5.205 21.776 13.114 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -5.384 20.075 13.498 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -3.490 19.536 12.002 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -3.312 21.235 11.613 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -2.707 21.764 13.857 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -3.105 20.147 14.405 1.00 0.00 H new ATOM 0 HE ARG A 30 -1.078 19.342 13.580 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -1.593 22.677 12.498 1.00 0.00 H new ATOM 0 HH12 ARG A 30 0.086 22.884 11.990 1.00 0.00 H new ATOM 0 HH21 ARG A 30 1.023 19.613 12.929 1.00 0.00 H new ATOM 0 HH22 ARG A 30 1.576 21.140 12.234 1.00 0.00 H new ATOM 476 N VAL A 31 -5.213 19.101 9.805 1.00 0.00 N ATOM 477 CA VAL A 31 -5.107 17.842 9.075 1.00 0.00 C ATOM 478 C VAL A 31 -3.656 17.389 8.960 1.00 0.00 C ATOM 479 O VAL A 31 -2.800 18.141 8.498 1.00 0.00 O ATOM 480 CB VAL A 31 -5.714 17.955 7.664 1.00 0.00 C ATOM 481 CG1 VAL A 31 -5.559 16.642 6.912 1.00 0.00 C ATOM 482 CG2 VAL A 31 -7.180 18.352 7.744 1.00 0.00 C ATOM 0 H VAL A 31 -4.702 19.876 9.382 1.00 0.00 H new ATOM 0 HA VAL A 31 -5.669 17.102 9.644 1.00 0.00 H new ATOM 0 HB VAL A 31 -5.177 18.731 7.119 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -5.993 16.739 5.917 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.501 16.396 6.824 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -6.072 15.849 7.456 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -7.592 18.427 6.738 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -7.731 17.598 8.306 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -7.269 19.316 8.245 1.00 0.00 H new ATOM 492 N ALA A 32 -3.394 16.158 9.383 1.00 0.00 N ATOM 493 CA ALA A 32 -2.055 15.585 9.280 1.00 0.00 C ATOM 494 C ALA A 32 -1.843 14.914 7.929 1.00 0.00 C ATOM 495 O ALA A 32 -1.672 13.698 7.848 1.00 0.00 O ATOM 496 CB ALA A 32 -1.815 14.594 10.411 1.00 0.00 C ATOM 0 H ALA A 32 -4.088 15.538 9.800 1.00 0.00 H new ATOM 0 HA ALA A 32 -1.334 16.398 9.366 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -0.813 14.175 10.321 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -1.910 15.105 11.369 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -2.550 13.791 10.354 1.00 0.00 H new ATOM 502 N GLY A 33 -1.860 15.714 6.869 1.00 0.00 N ATOM 503 CA GLY A 33 -1.726 15.193 5.512 1.00 0.00 C ATOM 504 C GLY A 33 -0.357 15.521 4.930 1.00 0.00 C ATOM 505 O GLY A 33 0.318 16.440 5.388 1.00 0.00 O ATOM 0 H GLY A 33 -1.965 16.727 6.922 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -1.872 14.113 5.518 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -2.505 15.617 4.878 1.00 0.00 H new ATOM 509 N ASN A 34 0.049 14.758 3.912 1.00 0.00 N ATOM 510 CA ASN A 34 1.312 15.006 3.223 1.00 0.00 C ATOM 511 C ASN A 34 1.273 14.468 1.812 1.00 0.00 C ATOM 512 O ASN A 34 1.323 13.257 1.590 1.00 0.00 O ATOM 513 CB ASN A 34 2.477 14.359 4.027 1.00 0.00 C ATOM 514 CG ASN A 34 3.902 14.715 3.592 1.00 0.00 C ATOM 515 OD1 ASN A 34 4.160 15.102 2.462 1.00 0.00 O ATOM 516 ND2 ASN A 34 4.876 14.579 4.451 1.00 0.00 N ATOM 0 H ASN A 34 -0.480 13.965 3.549 1.00 0.00 H new ATOM 0 HA ASN A 34 1.475 16.082 3.161 1.00 0.00 H new ATOM 0 HB2 ASN A 34 2.362 14.639 5.074 1.00 0.00 H new ATOM 0 HB3 ASN A 34 2.366 13.276 3.972 1.00 0.00 H new ATOM 0 HD21 ASN A 34 5.834 14.795 4.174 1.00 0.00 H new ATOM 0 HD22 ASN A 34 4.679 14.257 5.399 1.00 0.00 H new ATOM 523 N PRO A 35 1.210 15.376 0.845 1.00 0.00 N ATOM 524 CA PRO A 35 1.362 16.797 1.118 1.00 0.00 C ATOM 525 C PRO A 35 0.118 17.369 1.784 1.00 0.00 C ATOM 526 O PRO A 35 -0.934 16.731 1.807 1.00 0.00 O ATOM 527 CB PRO A 35 1.616 17.420 -0.259 1.00 0.00 C ATOM 528 CG PRO A 35 2.003 16.268 -1.123 1.00 0.00 C ATOM 529 CD PRO A 35 1.235 15.090 -0.581 1.00 0.00 C ATOM 0 HA PRO A 35 2.174 17.006 1.815 1.00 0.00 H new ATOM 0 HB2 PRO A 35 0.725 17.920 -0.639 1.00 0.00 H new ATOM 0 HB3 PRO A 35 2.408 18.168 -0.217 1.00 0.00 H new ATOM 0 HG2 PRO A 35 1.750 16.456 -2.166 1.00 0.00 H new ATOM 0 HG3 PRO A 35 3.078 16.089 -1.083 1.00 0.00 H new ATOM 0 HD2 PRO A 35 0.232 15.028 -1.002 1.00 0.00 H new ATOM 0 HD3 PRO A 35 1.731 14.144 -0.799 1.00 0.00 H new ATOM 537 N LYS A 36 0.247 18.575 2.328 1.00 0.00 N ATOM 538 CA LYS A 36 -0.874 19.238 2.988 1.00 0.00 C ATOM 539 C LYS A 36 -2.041 19.426 2.028 1.00 0.00 C ATOM 540 O LYS A 36 -1.929 20.139 1.032 1.00 0.00 O ATOM 541 CB LYS A 36 -0.439 20.589 3.558 1.00 0.00 C ATOM 542 CG LYS A 36 0.140 20.522 4.965 1.00 0.00 C ATOM 543 CD LYS A 36 1.409 19.684 5.002 1.00 0.00 C ATOM 544 CE LYS A 36 1.864 19.430 6.432 1.00 0.00 C ATOM 545 NZ LYS A 36 0.886 18.602 7.188 1.00 0.00 N1+ ATOM 0 H LYS A 36 1.114 19.113 2.325 1.00 0.00 H new ATOM 0 HA LYS A 36 -1.204 18.600 3.808 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.305 21.028 2.893 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.297 21.261 3.563 1.00 0.00 H new ATOM 0 HG2 LYS A 36 0.357 21.530 5.320 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -0.599 20.097 5.645 1.00 0.00 H new ATOM 0 HD2 LYS A 36 1.234 18.733 4.500 1.00 0.00 H new ATOM 0 HD3 LYS A 36 2.200 20.194 4.452 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.832 18.929 6.421 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.004 20.383 6.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 1.339 18.226 8.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 0.069 19.187 7.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 0.565 17.813 6.592 1.00 0.00 H new ATOM 559 N PRO A 37 -3.162 18.785 2.338 1.00 0.00 N ATOM 560 CA PRO A 37 -4.331 18.822 1.465 1.00 0.00 C ATOM 561 C PRO A 37 -4.766 20.256 1.186 1.00 0.00 C ATOM 562 O PRO A 37 -4.624 21.133 2.038 1.00 0.00 O ATOM 563 CB PRO A 37 -5.397 18.033 2.233 1.00 0.00 C ATOM 564 CG PRO A 37 -4.618 17.093 3.092 1.00 0.00 C ATOM 565 CD PRO A 37 -3.377 17.853 3.488 1.00 0.00 C ATOM 0 HA PRO A 37 -4.138 18.392 0.482 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -6.024 18.693 2.833 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -6.059 17.495 1.554 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -5.192 16.793 3.969 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.365 16.182 2.550 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -3.518 18.394 4.423 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -2.526 17.187 3.631 1.00 0.00 H new ATOM 573 N LYS A 38 -5.294 20.487 -0.010 1.00 0.00 N ATOM 574 CA LYS A 38 -5.842 21.789 -0.366 1.00 0.00 C ATOM 575 C LYS A 38 -7.179 22.036 0.322 1.00 0.00 C ATOM 576 O LYS A 38 -8.226 22.054 -0.322 1.00 0.00 O ATOM 577 CB LYS A 38 -6.001 21.906 -1.882 1.00 0.00 C ATOM 578 CG LYS A 38 -4.688 21.950 -2.652 1.00 0.00 C ATOM 579 CD LYS A 38 -4.925 22.153 -4.141 1.00 0.00 C ATOM 580 CE LYS A 38 -3.614 22.166 -4.914 1.00 0.00 C ATOM 581 NZ LYS A 38 -3.832 22.348 -6.375 1.00 0.00 N1+ ATOM 0 H LYS A 38 -5.354 19.788 -0.750 1.00 0.00 H new ATOM 0 HA LYS A 38 -5.140 22.549 -0.023 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.589 21.061 -2.239 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -6.570 22.808 -2.107 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -4.066 22.758 -2.267 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -4.139 21.022 -2.492 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -5.566 21.357 -4.521 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -5.454 23.092 -4.302 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -2.980 22.969 -4.539 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -3.081 21.231 -4.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -2.915 22.351 -6.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -4.416 21.568 -6.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -4.318 23.252 -6.544 1.00 0.00 H new ATOM 595 N ILE A 39 -7.136 22.221 1.638 1.00 0.00 N ATOM 596 CA ILE A 39 -8.347 22.264 2.446 1.00 0.00 C ATOM 597 C ILE A 39 -9.434 23.089 1.766 1.00 0.00 C ATOM 598 O ILE A 39 -9.243 24.272 1.486 1.00 0.00 O ATOM 599 CB ILE A 39 -8.071 22.848 3.843 1.00 0.00 C ATOM 600 CG1 ILE A 39 -7.091 21.956 4.610 1.00 0.00 C ATOM 601 CG2 ILE A 39 -9.369 23.007 4.620 1.00 0.00 C ATOM 602 CD1 ILE A 39 -7.563 20.530 4.775 1.00 0.00 C ATOM 0 H ILE A 39 -6.273 22.344 2.167 1.00 0.00 H new ATOM 0 HA ILE A 39 -8.691 21.235 2.553 1.00 0.00 H new ATOM 0 HB ILE A 39 -7.620 23.833 3.723 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -6.133 21.954 4.090 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -6.917 22.387 5.596 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -9.155 23.421 5.605 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -10.036 23.680 4.081 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -9.848 22.034 4.732 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -6.816 19.961 5.328 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -8.505 20.520 5.323 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -7.709 20.079 3.793 1.00 0.00 H new ATOM 614 N TYR A 40 -10.571 22.454 1.502 1.00 0.00 N ATOM 615 CA TYR A 40 -11.718 23.150 0.931 1.00 0.00 C ATOM 616 C TYR A 40 -12.818 23.339 1.969 1.00 0.00 C ATOM 617 O TYR A 40 -13.085 22.450 2.775 1.00 0.00 O ATOM 618 CB TYR A 40 -12.260 22.384 -0.278 1.00 0.00 C ATOM 619 CG TYR A 40 -11.298 22.317 -1.443 1.00 0.00 C ATOM 620 CD1 TYR A 40 -11.058 23.432 -2.231 1.00 0.00 C ATOM 621 CD2 TYR A 40 -10.636 21.138 -1.754 1.00 0.00 C ATOM 622 CE1 TYR A 40 -10.181 23.378 -3.297 1.00 0.00 C ATOM 623 CE2 TYR A 40 -9.756 21.071 -2.817 1.00 0.00 C ATOM 624 CZ TYR A 40 -9.532 22.195 -3.586 1.00 0.00 C ATOM 625 OH TYR A 40 -8.658 22.134 -4.648 1.00 0.00 O ATOM 0 H TYR A 40 -10.723 21.460 1.674 1.00 0.00 H new ATOM 0 HA TYR A 40 -11.384 24.135 0.605 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -12.513 21.370 0.031 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -13.185 22.856 -0.610 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -11.565 24.359 -2.008 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -10.812 20.257 -1.155 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -10.004 24.256 -3.900 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -9.247 20.146 -3.045 1.00 0.00 H new ATOM 0 HH TYR A 40 -8.285 21.230 -4.713 1.00 0.00 H new ATOM 635 N TRP A 41 -13.455 24.505 1.939 1.00 0.00 N ATOM 636 CA TRP A 41 -14.599 24.773 2.806 1.00 0.00 C ATOM 637 C TRP A 41 -15.877 24.940 1.996 1.00 0.00 C ATOM 638 O TRP A 41 -15.893 25.623 0.973 1.00 0.00 O ATOM 639 CB TRP A 41 -14.347 26.024 3.651 1.00 0.00 C ATOM 640 CG TRP A 41 -13.233 25.864 4.640 1.00 0.00 C ATOM 641 CD1 TRP A 41 -11.910 26.110 4.425 1.00 0.00 C ATOM 642 CD2 TRP A 41 -13.344 25.422 5.999 1.00 0.00 C ATOM 643 NE1 TRP A 41 -11.188 25.849 5.564 1.00 0.00 N ATOM 644 CE2 TRP A 41 -12.049 25.426 6.546 1.00 0.00 C ATOM 645 CE3 TRP A 41 -14.417 25.024 6.806 1.00 0.00 C ATOM 646 CZ2 TRP A 41 -11.794 25.048 7.856 1.00 0.00 C ATOM 647 CZ3 TRP A 41 -14.161 24.646 8.119 1.00 0.00 C ATOM 648 CH2 TRP A 41 -12.887 24.659 8.629 1.00 0.00 C ATOM 0 H TRP A 41 -13.200 25.279 1.325 1.00 0.00 H new ATOM 0 HA TRP A 41 -14.724 23.916 3.467 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -14.117 26.859 2.989 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -15.262 26.282 4.185 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -11.490 26.460 3.494 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -10.178 25.952 5.664 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -15.424 25.011 6.416 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -10.792 25.055 8.260 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -14.981 24.336 8.750 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -12.727 24.360 9.655 1.00 0.00 H new ATOM 659 N PHE A 42 -16.951 24.308 2.461 1.00 0.00 N ATOM 660 CA PHE A 42 -18.268 24.501 1.868 1.00 0.00 C ATOM 661 C PHE A 42 -19.374 24.247 2.885 1.00 0.00 C ATOM 662 O PHE A 42 -19.240 23.394 3.762 1.00 0.00 O ATOM 663 CB PHE A 42 -18.447 23.583 0.657 1.00 0.00 C ATOM 664 CG PHE A 42 -18.192 22.132 0.952 1.00 0.00 C ATOM 665 CD1 PHE A 42 -16.904 21.621 0.933 1.00 0.00 C ATOM 666 CD2 PHE A 42 -19.242 21.277 1.250 1.00 0.00 C ATOM 667 CE1 PHE A 42 -16.668 20.287 1.204 1.00 0.00 C ATOM 668 CE2 PHE A 42 -19.009 19.942 1.523 1.00 0.00 C ATOM 669 CZ PHE A 42 -17.722 19.447 1.499 1.00 0.00 C ATOM 0 H PHE A 42 -16.934 23.658 3.247 1.00 0.00 H new ATOM 0 HA PHE A 42 -18.338 25.539 1.542 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -19.462 23.694 0.276 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -17.772 23.907 -0.135 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -16.075 22.274 0.704 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -20.252 21.658 1.269 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -15.659 19.902 1.185 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -19.835 19.286 1.755 1.00 0.00 H new ATOM 0 HZ PHE A 42 -17.540 18.404 1.711 1.00 0.00 H new ATOM 679 N LYS A 43 -20.465 24.993 2.762 1.00 0.00 N ATOM 680 CA LYS A 43 -21.545 24.940 3.744 1.00 0.00 C ATOM 681 C LYS A 43 -22.785 24.279 3.162 1.00 0.00 C ATOM 682 O LYS A 43 -23.455 24.844 2.298 1.00 0.00 O ATOM 683 CB LYS A 43 -21.886 26.344 4.245 1.00 0.00 C ATOM 684 CG LYS A 43 -22.793 26.372 5.468 1.00 0.00 C ATOM 685 CD LYS A 43 -24.257 26.499 5.068 1.00 0.00 C ATOM 686 CE LYS A 43 -25.135 26.807 6.271 1.00 0.00 C ATOM 687 NZ LYS A 43 -26.572 26.541 5.993 1.00 0.00 N1+ ATOM 0 H LYS A 43 -20.627 25.642 1.992 1.00 0.00 H new ATOM 0 HA LYS A 43 -21.199 24.339 4.585 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -20.960 26.867 4.483 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -22.367 26.898 3.438 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -22.650 25.462 6.050 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -22.515 27.208 6.110 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -24.366 27.289 4.324 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -24.590 25.573 4.600 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -24.812 26.204 7.120 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -25.008 27.852 6.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -27.119 26.633 6.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -26.923 27.227 5.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -26.680 25.577 5.617 1.00 0.00 H new ATOM 701 N ASP A 44 -23.091 23.078 3.642 1.00 0.00 N ATOM 702 CA ASP A 44 -24.208 22.302 3.112 1.00 0.00 C ATOM 703 C ASP A 44 -24.084 22.122 1.604 1.00 0.00 C ATOM 704 O ASP A 44 -25.089 22.067 0.892 1.00 0.00 O ATOM 705 CB ASP A 44 -25.538 22.974 3.456 1.00 0.00 C ATOM 706 CG ASP A 44 -25.900 22.939 4.935 1.00 0.00 C ATOM 707 OD1 ASP A 44 -25.231 22.254 5.673 1.00 0.00 O ATOM 708 OD2 ASP A 44 -26.732 23.713 5.342 1.00 0.00 O1- ATOM 0 H ASP A 44 -22.581 22.620 4.398 1.00 0.00 H new ATOM 0 HA ASP A 44 -24.181 21.316 3.576 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -25.501 24.013 3.129 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -26.333 22.489 2.889 1.00 0.00 H new ATOM 713 N GLY A 45 -22.852 22.033 1.120 1.00 0.00 N ATOM 714 CA GLY A 45 -22.599 21.794 -0.294 1.00 0.00 C ATOM 715 C GLY A 45 -22.352 23.103 -1.037 1.00 0.00 C ATOM 716 O GLY A 45 -22.120 23.105 -2.245 1.00 0.00 O ATOM 0 H GLY A 45 -22.010 22.123 1.688 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -21.734 21.140 -0.406 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -23.450 21.276 -0.736 1.00 0.00 H new ATOM 720 N LYS A 46 -22.406 24.210 -0.304 1.00 0.00 N ATOM 721 CA LYS A 46 -22.214 25.529 -0.896 1.00 0.00 C ATOM 722 C LYS A 46 -20.767 25.987 -0.763 1.00 0.00 C ATOM 723 O LYS A 46 -20.345 26.447 0.298 1.00 0.00 O ATOM 724 CB LYS A 46 -23.151 26.549 -0.247 1.00 0.00 C ATOM 725 CG LYS A 46 -24.632 26.243 -0.421 1.00 0.00 C ATOM 726 CD LYS A 46 -25.496 27.252 0.320 1.00 0.00 C ATOM 727 CE LYS A 46 -26.977 26.974 0.108 1.00 0.00 C ATOM 728 NZ LYS A 46 -27.834 28.023 0.726 1.00 0.00 N1+ ATOM 0 H LYS A 46 -22.581 24.220 0.701 1.00 0.00 H new ATOM 0 HA LYS A 46 -22.452 25.456 -1.957 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -22.927 26.604 0.818 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -22.944 27.533 -0.667 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -24.885 26.253 -1.481 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -24.844 25.239 -0.052 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -25.266 27.218 1.385 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -25.260 28.259 -0.025 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -27.186 26.917 -0.960 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -27.228 26.003 0.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -28.835 27.796 0.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -27.654 28.060 1.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -27.613 28.946 0.302 1.00 0.00 H new ATOM 742 N GLN A 47 -20.008 25.858 -1.846 1.00 0.00 N ATOM 743 CA GLN A 47 -18.595 26.220 -1.840 1.00 0.00 C ATOM 744 C GLN A 47 -18.387 27.621 -1.284 1.00 0.00 C ATOM 745 O GLN A 47 -19.034 28.576 -1.721 1.00 0.00 O ATOM 746 CB GLN A 47 -18.014 26.136 -3.255 1.00 0.00 C ATOM 747 CG GLN A 47 -16.518 26.390 -3.330 1.00 0.00 C ATOM 748 CD GLN A 47 -15.981 26.271 -4.743 1.00 0.00 C ATOM 749 OE1 GLN A 47 -16.742 26.084 -5.697 1.00 0.00 O ATOM 750 NE2 GLN A 47 -14.665 26.374 -4.885 1.00 0.00 N ATOM 0 H GLN A 47 -20.348 25.505 -2.740 1.00 0.00 H new ATOM 0 HA GLN A 47 -18.076 25.511 -1.195 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -18.224 25.148 -3.664 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -18.526 26.859 -3.890 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -16.302 27.387 -2.945 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -15.999 25.680 -2.686 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -14.074 26.529 -4.068 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -14.245 26.299 -5.811 1.00 0.00 H new ATOM 759 N ILE A 48 -17.486 27.742 -0.317 1.00 0.00 N ATOM 760 CA ILE A 48 -17.213 29.021 0.326 1.00 0.00 C ATOM 761 C ILE A 48 -15.977 29.681 -0.267 1.00 0.00 C ATOM 762 O ILE A 48 -14.899 29.088 -0.298 1.00 0.00 O ATOM 763 CB ILE A 48 -17.018 28.860 1.845 1.00 0.00 C ATOM 764 CG1 ILE A 48 -18.298 28.325 2.493 1.00 0.00 C ATOM 765 CG2 ILE A 48 -16.614 30.185 2.472 1.00 0.00 C ATOM 766 CD1 ILE A 48 -18.121 27.897 3.931 1.00 0.00 C ATOM 0 H ILE A 48 -16.929 26.966 0.041 1.00 0.00 H new ATOM 0 HA ILE A 48 -18.082 29.655 0.146 1.00 0.00 H new ATOM 0 HB ILE A 48 -16.218 28.140 2.018 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -19.068 29.095 2.445 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -18.660 27.476 1.913 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -16.480 30.054 3.546 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -15.679 30.527 2.029 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -17.393 30.926 2.291 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -19.070 27.530 4.321 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -17.375 27.104 3.985 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -17.789 28.748 4.526 1.00 0.00 H new ATOM 778 N SER A 49 -16.135 30.917 -0.730 1.00 0.00 N ATOM 779 CA SER A 49 -15.007 31.708 -1.208 1.00 0.00 C ATOM 780 C SER A 49 -14.300 32.409 -0.055 1.00 0.00 C ATOM 781 O SER A 49 -14.938 33.050 0.781 1.00 0.00 O ATOM 782 CB SER A 49 -15.477 32.721 -2.234 1.00 0.00 C ATOM 783 OG SER A 49 -14.445 33.580 -2.637 1.00 0.00 O ATOM 0 H SER A 49 -17.035 31.393 -0.784 1.00 0.00 H new ATOM 0 HA SER A 49 -14.293 31.032 -1.679 1.00 0.00 H new ATOM 0 HB2 SER A 49 -15.873 32.198 -3.104 1.00 0.00 H new ATOM 0 HB3 SER A 49 -16.294 33.308 -1.815 1.00 0.00 H new ATOM 0 HG SER A 49 -14.788 34.216 -3.299 1.00 0.00 H new ATOM 789 N PRO A 50 -12.977 32.285 -0.014 1.00 0.00 N ATOM 790 CA PRO A 50 -12.176 32.930 1.018 1.00 0.00 C ATOM 791 C PRO A 50 -12.444 34.430 1.064 1.00 0.00 C ATOM 792 O PRO A 50 -12.519 35.090 0.024 1.00 0.00 O ATOM 793 CB PRO A 50 -10.731 32.614 0.622 1.00 0.00 C ATOM 794 CG PRO A 50 -10.829 31.356 -0.171 1.00 0.00 C ATOM 795 CD PRO A 50 -12.126 31.462 -0.930 1.00 0.00 C ATOM 0 HA PRO A 50 -12.409 32.572 2.021 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -10.295 33.421 0.034 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -10.099 32.482 1.500 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -9.983 31.253 -0.851 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -10.824 30.481 0.479 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -11.990 31.944 -1.898 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -12.565 30.483 -1.120 1.00 0.00 H new ATOM 803 N LYS A 51 -12.587 34.965 2.269 1.00 0.00 N ATOM 804 CA LYS A 51 -12.812 36.393 2.454 1.00 0.00 C ATOM 805 C LYS A 51 -14.076 36.848 1.738 1.00 0.00 C ATOM 806 O LYS A 51 -14.036 37.735 0.885 1.00 0.00 O ATOM 807 CB LYS A 51 -11.608 37.192 1.955 1.00 0.00 C ATOM 808 CG LYS A 51 -10.308 36.896 2.691 1.00 0.00 C ATOM 809 CD LYS A 51 -9.163 37.743 2.155 1.00 0.00 C ATOM 810 CE LYS A 51 -7.867 37.462 2.902 1.00 0.00 C ATOM 811 NZ LYS A 51 -6.722 38.226 2.338 1.00 0.00 N1+ ATOM 0 H LYS A 51 -12.551 34.430 3.136 1.00 0.00 H new ATOM 0 HA LYS A 51 -12.941 36.576 3.521 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -11.466 36.987 0.894 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -11.829 38.255 2.047 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -10.438 37.089 3.756 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -10.061 35.839 2.587 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -9.024 37.540 1.093 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -9.416 38.799 2.247 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -7.992 37.719 3.954 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -7.648 36.395 2.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -5.859 38.006 2.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -6.586 37.962 1.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -6.919 39.245 2.402 1.00 0.00 H new ATOM 825 N SER A 52 -15.201 36.234 2.089 1.00 0.00 N ATOM 826 CA SER A 52 -16.485 36.592 1.499 1.00 0.00 C ATOM 827 C SER A 52 -17.230 37.598 2.365 1.00 0.00 C ATOM 828 O SER A 52 -16.632 38.263 3.214 1.00 0.00 O ATOM 829 CB SER A 52 -17.327 35.349 1.289 1.00 0.00 C ATOM 830 OG SER A 52 -18.470 35.610 0.522 1.00 0.00 O ATOM 0 H SER A 52 -15.249 35.485 2.780 1.00 0.00 H new ATOM 0 HA SER A 52 -16.295 37.060 0.533 1.00 0.00 H new ATOM 0 HB2 SER A 52 -16.727 34.584 0.796 1.00 0.00 H new ATOM 0 HB3 SER A 52 -17.625 34.946 2.257 1.00 0.00 H new ATOM 0 HG SER A 52 -18.984 34.783 0.409 1.00 0.00 H new ATOM 836 N ASP A 53 -18.536 37.709 2.145 1.00 0.00 N ATOM 837 CA ASP A 53 -19.358 38.666 2.874 1.00 0.00 C ATOM 838 C ASP A 53 -19.219 38.479 4.379 1.00 0.00 C ATOM 839 O ASP A 53 -19.065 39.443 5.125 1.00 0.00 O ATOM 840 CB ASP A 53 -20.825 38.537 2.463 1.00 0.00 C ATOM 841 CG ASP A 53 -21.138 39.068 1.070 1.00 0.00 C ATOM 842 OD1 ASP A 53 -20.301 39.735 0.509 1.00 0.00 O ATOM 843 OD2 ASP A 53 -22.137 38.676 0.517 1.00 0.00 O1- ATOM 0 H ASP A 53 -19.048 37.146 1.466 1.00 0.00 H new ATOM 0 HA ASP A 53 -19.006 39.666 2.620 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -21.112 37.487 2.511 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -21.441 39.069 3.188 1.00 0.00 H new ATOM 848 N HIS A 54 -19.278 37.228 4.823 1.00 0.00 N ATOM 849 CA HIS A 54 -19.159 36.907 6.238 1.00 0.00 C ATOM 850 C HIS A 54 -18.258 35.702 6.461 1.00 0.00 C ATOM 851 O HIS A 54 -17.964 35.335 7.599 1.00 0.00 O ATOM 852 CB HIS A 54 -20.540 36.647 6.850 1.00 0.00 C ATOM 853 CG HIS A 54 -21.454 37.831 6.797 1.00 0.00 C ATOM 854 ND1 HIS A 54 -21.301 38.928 7.620 1.00 0.00 N ATOM 855 CD2 HIS A 54 -22.531 38.092 6.020 1.00 0.00 C ATOM 856 CE1 HIS A 54 -22.245 39.811 7.351 1.00 0.00 C ATOM 857 NE2 HIS A 54 -23.004 39.329 6.385 1.00 0.00 N ATOM 0 H HIS A 54 -19.408 36.417 4.218 1.00 0.00 H new ATOM 0 HA HIS A 54 -18.706 37.767 6.732 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -21.009 35.814 6.326 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -20.416 36.341 7.889 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -22.942 37.448 5.256 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -22.374 40.766 7.839 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -23.811 39.799 5.976 1.00 0.00 H new ATOM 865 N TYR A 55 -17.823 35.086 5.366 1.00 0.00 N ATOM 866 CA TYR A 55 -17.078 33.833 5.436 1.00 0.00 C ATOM 867 C TYR A 55 -15.607 34.050 5.111 1.00 0.00 C ATOM 868 O TYR A 55 -15.212 34.068 3.946 1.00 0.00 O ATOM 869 CB TYR A 55 -17.679 32.797 4.485 1.00 0.00 C ATOM 870 CG TYR A 55 -19.081 32.366 4.853 1.00 0.00 C ATOM 871 CD1 TYR A 55 -19.578 32.575 6.133 1.00 0.00 C ATOM 872 CD2 TYR A 55 -19.906 31.755 3.920 1.00 0.00 C ATOM 873 CE1 TYR A 55 -20.858 32.180 6.474 1.00 0.00 C ATOM 874 CE2 TYR A 55 -21.186 31.359 4.251 1.00 0.00 C ATOM 875 CZ TYR A 55 -21.661 31.573 5.530 1.00 0.00 C ATOM 876 OH TYR A 55 -22.936 31.182 5.863 1.00 0.00 O ATOM 0 H TYR A 55 -17.974 35.434 4.419 1.00 0.00 H new ATOM 0 HA TYR A 55 -17.151 33.459 6.457 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -17.689 33.208 3.476 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -17.033 31.919 4.465 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -18.955 33.054 6.874 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -19.541 31.586 2.918 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -21.228 32.346 7.475 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -21.814 30.883 3.512 1.00 0.00 H new ATOM 0 HH TYR A 55 -23.452 31.963 6.153 1.00 0.00 H new ATOM 886 N THR A 56 -14.794 34.213 6.151 1.00 0.00 N ATOM 887 CA THR A 56 -13.366 34.454 5.979 1.00 0.00 C ATOM 888 C THR A 56 -12.565 33.172 6.169 1.00 0.00 C ATOM 889 O THR A 56 -12.583 32.569 7.243 1.00 0.00 O ATOM 890 CB THR A 56 -12.850 35.520 6.962 1.00 0.00 C ATOM 891 OG1 THR A 56 -13.535 36.759 6.733 1.00 0.00 O ATOM 892 CG2 THR A 56 -11.355 35.732 6.784 1.00 0.00 C ATOM 0 H THR A 56 -15.101 34.182 7.123 1.00 0.00 H new ATOM 0 HA THR A 56 -13.229 34.817 4.960 1.00 0.00 H new ATOM 0 HB THR A 56 -13.039 35.175 7.978 1.00 0.00 H new ATOM 0 HG1 THR A 56 -13.206 37.436 7.361 1.00 0.00 H new ATOM 0 HG21 THR A 56 -11.009 36.489 7.487 1.00 0.00 H new ATOM 0 HG22 THR A 56 -10.830 34.795 6.971 1.00 0.00 H new ATOM 0 HG23 THR A 56 -11.153 36.064 5.765 1.00 0.00 H new ATOM 900 N ILE A 57 -11.861 32.757 5.122 1.00 0.00 N ATOM 901 CA ILE A 57 -11.038 31.554 5.179 1.00 0.00 C ATOM 902 C ILE A 57 -9.562 31.903 5.324 1.00 0.00 C ATOM 903 O ILE A 57 -9.032 32.731 4.582 1.00 0.00 O ATOM 904 CB ILE A 57 -11.229 30.679 3.926 1.00 0.00 C ATOM 905 CG1 ILE A 57 -12.674 30.181 3.838 1.00 0.00 C ATOM 906 CG2 ILE A 57 -10.259 29.508 3.942 1.00 0.00 C ATOM 907 CD1 ILE A 57 -13.004 29.496 2.531 1.00 0.00 C ATOM 0 H ILE A 57 -11.844 33.237 4.222 1.00 0.00 H new ATOM 0 HA ILE A 57 -11.362 30.992 6.055 1.00 0.00 H new ATOM 0 HB ILE A 57 -11.020 31.285 3.045 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -12.860 29.488 4.658 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -13.349 31.026 3.975 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -10.408 28.900 3.050 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -9.236 29.883 3.959 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -10.437 28.900 4.829 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -14.044 29.171 2.543 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -12.851 30.192 1.706 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -12.355 28.630 2.400 1.00 0.00 H new ATOM 919 N GLN A 58 -8.902 31.267 6.286 1.00 0.00 N ATOM 920 CA GLN A 58 -7.461 31.411 6.450 1.00 0.00 C ATOM 921 C GLN A 58 -6.779 30.052 6.559 1.00 0.00 C ATOM 922 O GLN A 58 -6.934 29.347 7.557 1.00 0.00 O ATOM 923 CB GLN A 58 -7.144 32.250 7.690 1.00 0.00 C ATOM 924 CG GLN A 58 -5.660 32.402 7.976 1.00 0.00 C ATOM 925 CD GLN A 58 -4.947 33.219 6.916 1.00 0.00 C ATOM 926 OE1 GLN A 58 -5.380 34.320 6.564 1.00 0.00 O ATOM 927 NE2 GLN A 58 -3.849 32.683 6.395 1.00 0.00 N ATOM 0 H GLN A 58 -9.343 30.646 6.964 1.00 0.00 H new ATOM 0 HA GLN A 58 -7.077 31.919 5.566 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -7.582 33.240 7.567 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -7.625 31.794 8.556 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -5.527 32.878 8.948 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -5.202 31.415 8.039 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -3.526 31.770 6.715 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -3.329 33.184 5.675 1.00 0.00 H new ATOM 936 N ARG A 59 -6.027 29.689 5.525 1.00 0.00 N ATOM 937 CA ARG A 59 -5.368 28.391 5.477 1.00 0.00 C ATOM 938 C ARG A 59 -3.876 28.521 5.757 1.00 0.00 C ATOM 939 O ARG A 59 -3.139 29.133 4.978 1.00 0.00 O ATOM 940 CB ARG A 59 -5.629 27.664 4.166 1.00 0.00 C ATOM 941 CG ARG A 59 -7.097 27.479 3.819 1.00 0.00 C ATOM 942 CD ARG A 59 -7.339 26.741 2.553 1.00 0.00 C ATOM 943 NE ARG A 59 -6.922 27.448 1.353 1.00 0.00 N ATOM 944 CZ ARG A 59 -7.028 26.960 0.102 1.00 0.00 C ATOM 945 NH1 ARG A 59 -7.501 25.753 -0.117 1.00 0.00 N1+ ATOM 946 NH2 ARG A 59 -6.622 27.720 -0.900 1.00 0.00 N ATOM 0 H ARG A 59 -5.859 30.277 4.709 1.00 0.00 H new ATOM 0 HA ARG A 59 -5.803 27.780 6.267 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -5.147 28.216 3.359 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -5.155 26.684 4.210 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -7.587 26.947 4.635 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -7.568 28.460 3.750 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -6.814 25.787 2.598 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -8.403 26.517 2.476 1.00 0.00 H new ATOM 0 HE ARG A 59 -6.521 28.379 1.466 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -7.795 25.170 0.667 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -7.574 25.399 -1.071 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -6.241 28.648 -0.715 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -6.689 27.379 -1.859 1.00 0.00 H new ATOM 960 N ASP A 60 -3.435 27.947 6.867 1.00 0.00 N ATOM 961 CA ASP A 60 -2.014 27.893 7.191 1.00 0.00 C ATOM 962 C ASP A 60 -1.351 26.667 6.569 1.00 0.00 C ATOM 963 O ASP A 60 -1.846 25.550 6.697 1.00 0.00 O ATOM 964 CB ASP A 60 -1.809 27.888 8.709 1.00 0.00 C ATOM 965 CG ASP A 60 -0.356 28.007 9.148 1.00 0.00 C ATOM 966 OD1 ASP A 60 0.507 27.913 8.309 1.00 0.00 O ATOM 967 OD2 ASP A 60 -0.126 28.344 10.285 1.00 0.00 O1- ATOM 0 H ASP A 60 -4.042 27.510 7.561 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.544 28.783 6.773 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -2.375 28.712 9.143 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -2.225 26.966 9.116 1.00 0.00 H new ATOM 972 N LEU A 61 -0.230 26.889 5.894 1.00 0.00 N ATOM 973 CA LEU A 61 0.464 25.820 5.183 1.00 0.00 C ATOM 974 C LEU A 61 1.010 24.781 6.155 1.00 0.00 C ATOM 975 O LEU A 61 1.390 23.682 5.753 1.00 0.00 O ATOM 976 CB LEU A 61 1.597 26.400 4.329 1.00 0.00 C ATOM 977 CG LEU A 61 1.147 27.291 3.165 1.00 0.00 C ATOM 978 CD1 LEU A 61 2.359 27.893 2.468 1.00 0.00 C ATOM 979 CD2 LEU A 61 0.316 26.472 2.188 1.00 0.00 C ATOM 0 H LEU A 61 0.220 27.802 5.823 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.253 25.325 4.528 1.00 0.00 H new ATOM 0 HB2 LEU A 61 2.257 26.979 4.975 1.00 0.00 H new ATOM 0 HB3 LEU A 61 2.186 25.576 3.928 1.00 0.00 H new ATOM 0 HG LEU A 61 0.534 28.107 3.549 1.00 0.00 H new ATOM 0 HD11 LEU A 61 2.028 28.524 1.643 1.00 0.00 H new ATOM 0 HD12 LEU A 61 2.927 28.493 3.179 1.00 0.00 H new ATOM 0 HD13 LEU A 61 2.991 27.093 2.082 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.003 27.106 1.361 1.00 0.00 H new ATOM 0 HD22 LEU A 61 0.916 25.648 1.802 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -0.560 26.075 2.700 1.00 0.00 H new ATOM 991 N ASP A 62 1.046 25.134 7.437 1.00 0.00 N ATOM 992 CA ASP A 62 1.475 24.208 8.475 1.00 0.00 C ATOM 993 C ASP A 62 0.564 22.987 8.531 1.00 0.00 C ATOM 994 O ASP A 62 1.009 21.882 8.848 1.00 0.00 O ATOM 995 CB ASP A 62 1.505 24.906 9.837 1.00 0.00 C ATOM 996 CG ASP A 62 2.229 24.126 10.927 1.00 0.00 C ATOM 997 OD1 ASP A 62 3.399 23.867 10.768 1.00 0.00 O ATOM 998 OD2 ASP A 62 1.655 23.934 11.972 1.00 0.00 O1- ATOM 0 H ASP A 62 0.782 26.058 7.780 1.00 0.00 H new ATOM 0 HA ASP A 62 2.482 23.872 8.229 1.00 0.00 H new ATOM 0 HB2 ASP A 62 1.985 25.878 9.723 1.00 0.00 H new ATOM 0 HB3 ASP A 62 0.480 25.092 10.159 1.00 0.00 H new ATOM 1003 N GLY A 63 -0.711 23.193 8.222 1.00 0.00 N ATOM 1004 CA GLY A 63 -1.672 22.095 8.177 1.00 0.00 C ATOM 1005 C GLY A 63 -2.947 22.454 8.933 1.00 0.00 C ATOM 1006 O GLY A 63 -3.880 21.654 9.013 1.00 0.00 O ATOM 0 H GLY A 63 -1.104 24.108 7.999 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -1.913 21.860 7.140 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -1.227 21.200 8.611 1.00 0.00 H new ATOM 1010 N THR A 64 -2.984 23.662 9.485 1.00 0.00 N ATOM 1011 CA THR A 64 -4.161 24.148 10.193 1.00 0.00 C ATOM 1012 C THR A 64 -4.887 25.220 9.390 1.00 0.00 C ATOM 1013 O THR A 64 -4.300 26.239 9.031 1.00 0.00 O ATOM 1014 CB THR A 64 -3.792 24.720 11.575 1.00 0.00 C ATOM 1015 OG1 THR A 64 -3.192 23.694 12.375 1.00 0.00 O ATOM 1016 CG2 THR A 64 -5.031 25.250 12.282 1.00 0.00 C ATOM 0 H THR A 64 -2.209 24.324 9.455 1.00 0.00 H new ATOM 0 HA THR A 64 -4.821 23.291 10.327 1.00 0.00 H new ATOM 0 HB THR A 64 -3.088 25.540 11.435 1.00 0.00 H new ATOM 0 HG1 THR A 64 -2.677 24.104 13.101 1.00 0.00 H new ATOM 0 HG21 THR A 64 -4.751 25.650 13.256 1.00 0.00 H new ATOM 0 HG22 THR A 64 -5.483 26.040 11.682 1.00 0.00 H new ATOM 0 HG23 THR A 64 -5.748 24.440 12.415 1.00 0.00 H new ATOM 1024 N CYS A 65 -6.163 24.979 9.111 1.00 0.00 N ATOM 1025 CA CYS A 65 -6.981 25.941 8.381 1.00 0.00 C ATOM 1026 C CYS A 65 -8.221 26.328 9.177 1.00 0.00 C ATOM 1027 O CYS A 65 -8.835 25.485 9.833 1.00 0.00 O ATOM 1028 CB CYS A 65 -7.370 25.168 7.120 1.00 0.00 C ATOM 1029 SG CYS A 65 -5.979 24.737 6.046 1.00 0.00 S ATOM 0 H CYS A 65 -6.654 24.126 9.379 1.00 0.00 H new ATOM 0 HA CYS A 65 -6.460 26.876 8.177 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -7.883 24.252 7.414 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -8.083 25.763 6.549 1.00 0.00 H new ATOM 0 HG CYS A 65 -5.373 23.689 6.520 1.00 0.00 H new ATOM 1035 N SER A 66 -8.581 27.604 9.118 1.00 0.00 N ATOM 1036 CA SER A 66 -9.657 28.134 9.949 1.00 0.00 C ATOM 1037 C SER A 66 -10.724 28.812 9.101 1.00 0.00 C ATOM 1038 O SER A 66 -10.434 29.364 8.041 1.00 0.00 O ATOM 1039 CB SER A 66 -9.098 29.107 10.968 1.00 0.00 C ATOM 1040 OG SER A 66 -8.521 30.232 10.362 1.00 0.00 O ATOM 0 H SER A 66 -8.144 28.292 8.504 1.00 0.00 H new ATOM 0 HA SER A 66 -10.124 27.300 10.472 1.00 0.00 H new ATOM 0 HB2 SER A 66 -9.895 29.426 11.639 1.00 0.00 H new ATOM 0 HB3 SER A 66 -8.350 28.601 11.579 1.00 0.00 H new ATOM 0 HG SER A 66 -8.174 30.834 11.053 1.00 0.00 H new ATOM 1046 N LEU A 67 -11.965 28.765 9.576 1.00 0.00 N ATOM 1047 CA LEU A 67 -13.057 29.494 8.938 1.00 0.00 C ATOM 1048 C LEU A 67 -13.803 30.358 9.946 1.00 0.00 C ATOM 1049 O LEU A 67 -14.291 29.862 10.961 1.00 0.00 O ATOM 1050 CB LEU A 67 -14.022 28.515 8.257 1.00 0.00 C ATOM 1051 CG LEU A 67 -15.304 29.146 7.696 1.00 0.00 C ATOM 1052 CD1 LEU A 67 -14.956 30.157 6.612 1.00 0.00 C ATOM 1053 CD2 LEU A 67 -16.210 28.055 7.147 1.00 0.00 C ATOM 0 H LEU A 67 -12.240 28.230 10.400 1.00 0.00 H new ATOM 0 HA LEU A 67 -12.629 30.152 8.182 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -13.495 28.017 7.443 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -14.300 27.744 8.976 1.00 0.00 H new ATOM 0 HG LEU A 67 -15.831 29.670 8.493 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -15.872 30.600 6.220 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -14.326 30.940 7.034 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -14.421 29.656 5.805 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -17.120 28.504 6.749 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -15.692 27.518 6.352 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -16.468 27.360 7.946 1.00 0.00 H new ATOM 1065 N HIS A 68 -13.886 31.653 9.662 1.00 0.00 N ATOM 1066 CA HIS A 68 -14.567 32.590 10.548 1.00 0.00 C ATOM 1067 C HIS A 68 -15.886 33.062 9.944 1.00 0.00 C ATOM 1068 O HIS A 68 -15.934 33.488 8.791 1.00 0.00 O ATOM 1069 CB HIS A 68 -13.671 33.795 10.854 1.00 0.00 C ATOM 1070 CG HIS A 68 -14.378 34.907 11.566 1.00 0.00 C ATOM 1071 ND1 HIS A 68 -14.840 34.785 12.859 1.00 0.00 N ATOM 1072 CD2 HIS A 68 -14.704 36.158 11.165 1.00 0.00 C ATOM 1073 CE1 HIS A 68 -15.419 35.916 13.224 1.00 0.00 C ATOM 1074 NE2 HIS A 68 -15.350 36.764 12.215 1.00 0.00 N ATOM 0 H HIS A 68 -13.490 32.078 8.824 1.00 0.00 H new ATOM 0 HA HIS A 68 -14.784 32.065 11.479 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -12.828 33.465 11.461 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -13.260 34.177 9.920 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -14.495 36.597 10.201 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -15.872 36.113 14.185 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -15.717 37.716 12.215 1.00 0.00 H new ATOM 1082 N THR A 69 -16.952 32.981 10.734 1.00 0.00 N ATOM 1083 CA THR A 69 -18.236 33.553 10.345 1.00 0.00 C ATOM 1084 C THR A 69 -18.514 34.846 11.102 1.00 0.00 C ATOM 1085 O THR A 69 -18.672 34.841 12.323 1.00 0.00 O ATOM 1086 CB THR A 69 -19.393 32.567 10.593 1.00 0.00 C ATOM 1087 OG1 THR A 69 -19.195 31.385 9.805 1.00 0.00 O ATOM 1088 CG2 THR A 69 -20.725 33.201 10.222 1.00 0.00 C ATOM 0 H THR A 69 -16.952 32.525 11.647 1.00 0.00 H new ATOM 0 HA THR A 69 -18.175 33.765 9.278 1.00 0.00 H new ATOM 0 HB THR A 69 -19.408 32.309 11.652 1.00 0.00 H new ATOM 0 HG1 THR A 69 -19.931 30.758 9.965 1.00 0.00 H new ATOM 0 HG21 THR A 69 -21.530 32.489 10.404 1.00 0.00 H new ATOM 0 HG22 THR A 69 -20.885 34.093 10.828 1.00 0.00 H new ATOM 0 HG23 THR A 69 -20.716 33.476 9.167 1.00 0.00 H new ATOM 1096 N THR A 70 -18.567 35.953 10.370 1.00 0.00 N ATOM 1097 CA THR A 70 -18.734 37.268 10.979 1.00 0.00 C ATOM 1098 C THR A 70 -20.111 37.411 11.611 1.00 0.00 C ATOM 1099 O THR A 70 -20.249 37.981 12.695 1.00 0.00 O ATOM 1100 CB THR A 70 -18.534 38.398 9.951 1.00 0.00 C ATOM 1101 OG1 THR A 70 -17.193 38.358 9.447 1.00 0.00 O ATOM 1102 CG2 THR A 70 -18.792 39.753 10.591 1.00 0.00 C ATOM 0 H THR A 70 -18.497 35.966 9.353 1.00 0.00 H new ATOM 0 HA THR A 70 -17.971 37.354 11.752 1.00 0.00 H new ATOM 0 HB THR A 70 -19.240 38.254 9.133 1.00 0.00 H new ATOM 0 HG1 THR A 70 -17.068 39.076 8.792 1.00 0.00 H new ATOM 0 HG21 THR A 70 -18.646 40.539 9.850 1.00 0.00 H new ATOM 0 HG22 THR A 70 -19.816 39.791 10.963 1.00 0.00 H new ATOM 0 HG23 THR A 70 -18.099 39.902 11.419 1.00 0.00 H new ATOM 1110 N ALA A 71 -21.126 36.888 10.934 1.00 0.00 N ATOM 1111 CA ALA A 71 -22.504 37.010 11.401 1.00 0.00 C ATOM 1112 C ALA A 71 -23.258 35.697 11.234 1.00 0.00 C ATOM 1113 O ALA A 71 -23.915 35.473 10.215 1.00 0.00 O ATOM 1114 CB ALA A 71 -23.215 38.129 10.660 1.00 0.00 C ATOM 0 H ALA A 71 -21.022 36.375 10.059 1.00 0.00 H new ATOM 0 HA ALA A 71 -22.482 37.252 12.464 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -24.241 38.208 11.019 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -22.695 39.070 10.837 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -23.220 37.912 9.592 1.00 0.00 H new ATOM 1120 N SER A 72 -23.163 34.833 12.239 1.00 0.00 N ATOM 1121 CA SER A 72 -23.803 33.523 12.190 1.00 0.00 C ATOM 1122 C SER A 72 -25.280 33.618 12.551 1.00 0.00 C ATOM 1123 O SER A 72 -25.643 33.564 13.725 1.00 0.00 O ATOM 1124 CB SER A 72 -23.092 32.560 13.121 1.00 0.00 C ATOM 1125 OG SER A 72 -23.645 31.273 13.070 1.00 0.00 O ATOM 0 H SER A 72 -22.648 35.017 13.100 1.00 0.00 H new ATOM 0 HA SER A 72 -23.732 33.148 11.169 1.00 0.00 H new ATOM 0 HB2 SER A 72 -22.036 32.511 12.854 1.00 0.00 H new ATOM 0 HB3 SER A 72 -23.146 32.937 14.142 1.00 0.00 H new ATOM 0 HG SER A 72 -23.395 30.777 13.877 1.00 0.00 H new ATOM 1131 N THR A 73 -26.126 33.758 11.535 1.00 0.00 N ATOM 1132 CA THR A 73 -27.563 33.868 11.747 1.00 0.00 C ATOM 1133 C THR A 73 -28.262 32.545 11.466 1.00 0.00 C ATOM 1134 O THR A 73 -27.626 31.564 11.084 1.00 0.00 O ATOM 1135 CB THR A 73 -28.183 34.963 10.859 1.00 0.00 C ATOM 1136 OG1 THR A 73 -28.098 34.570 9.483 1.00 0.00 O ATOM 1137 CG2 THR A 73 -27.452 36.282 11.052 1.00 0.00 C ATOM 0 H THR A 73 -25.840 33.798 10.557 1.00 0.00 H new ATOM 0 HA THR A 73 -27.707 34.137 12.793 1.00 0.00 H new ATOM 0 HB THR A 73 -29.227 35.093 11.143 1.00 0.00 H new ATOM 0 HG1 THR A 73 -27.159 34.427 9.241 1.00 0.00 H new ATOM 0 HG21 THR A 73 -27.903 37.044 10.417 1.00 0.00 H new ATOM 0 HG22 THR A 73 -27.525 36.589 12.095 1.00 0.00 H new ATOM 0 HG23 THR A 73 -26.403 36.159 10.782 1.00 0.00 H new ATOM 1145 N LEU A 74 -29.578 32.522 11.667 1.00 0.00 N ATOM 1146 CA LEU A 74 -30.358 31.304 11.481 1.00 0.00 C ATOM 1147 C LEU A 74 -30.294 30.822 10.037 1.00 0.00 C ATOM 1148 O LEU A 74 -30.470 29.637 9.761 1.00 0.00 O ATOM 1149 CB LEU A 74 -31.815 31.540 11.899 1.00 0.00 C ATOM 1150 CG LEU A 74 -32.031 31.790 13.397 1.00 0.00 C ATOM 1151 CD1 LEU A 74 -33.485 32.155 13.661 1.00 0.00 C ATOM 1152 CD2 LEU A 74 -31.636 30.549 14.183 1.00 0.00 C ATOM 0 H LEU A 74 -30.124 33.333 11.958 1.00 0.00 H new ATOM 0 HA LEU A 74 -29.928 30.527 12.113 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -32.202 32.395 11.345 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -32.406 30.674 11.602 1.00 0.00 H new ATOM 0 HG LEU A 74 -31.406 32.623 13.720 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -33.628 32.331 14.727 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -33.740 33.059 13.107 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -34.130 31.338 13.338 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -31.790 30.728 15.247 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -32.249 29.706 13.864 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -30.585 30.322 14.001 1.00 0.00 H new ATOM 1164 N ASP A 75 -30.043 31.751 9.119 1.00 0.00 N ATOM 1165 CA ASP A 75 -29.857 31.408 7.716 1.00 0.00 C ATOM 1166 C ASP A 75 -28.460 30.851 7.465 1.00 0.00 C ATOM 1167 O ASP A 75 -28.220 30.189 6.455 1.00 0.00 O ATOM 1168 CB ASP A 75 -30.106 32.632 6.831 1.00 0.00 C ATOM 1169 CG ASP A 75 -31.565 33.054 6.735 1.00 0.00 C ATOM 1170 OD1 ASP A 75 -32.412 32.287 7.127 1.00 0.00 O ATOM 1171 OD2 ASP A 75 -31.813 34.194 6.420 1.00 0.00 O1- ATOM 0 H ASP A 75 -29.964 32.747 9.323 1.00 0.00 H new ATOM 0 HA ASP A 75 -30.580 30.634 7.461 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -29.523 33.468 7.217 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -29.735 32.421 5.828 1.00 0.00 H new ATOM 1176 N ASP A 76 -27.546 31.126 8.387 1.00 0.00 N ATOM 1177 CA ASP A 76 -26.180 30.626 8.283 1.00 0.00 C ATOM 1178 C ASP A 76 -26.009 29.324 9.057 1.00 0.00 C ATOM 1179 O ASP A 76 -25.005 28.629 8.907 1.00 0.00 O ATOM 1180 CB ASP A 76 -25.188 31.676 8.789 1.00 0.00 C ATOM 1181 CG ASP A 76 -25.166 32.964 7.975 1.00 0.00 C ATOM 1182 OD1 ASP A 76 -24.993 32.887 6.783 1.00 0.00 O ATOM 1183 OD2 ASP A 76 -25.477 33.993 8.527 1.00 0.00 O1- ATOM 0 H ASP A 76 -27.726 31.693 9.216 1.00 0.00 H new ATOM 0 HA ASP A 76 -25.976 30.424 7.231 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -25.430 31.918 9.824 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -24.188 31.243 8.789 1.00 0.00 H new ATOM 1188 N ASP A 77 -26.994 29.002 9.888 1.00 0.00 N ATOM 1189 CA ASP A 77 -27.029 27.714 10.571 1.00 0.00 C ATOM 1190 C ASP A 77 -26.955 26.562 9.579 1.00 0.00 C ATOM 1191 O ASP A 77 -27.713 26.511 8.611 1.00 0.00 O ATOM 1192 CB ASP A 77 -28.296 27.593 11.424 1.00 0.00 C ATOM 1193 CG ASP A 77 -28.389 26.307 12.232 1.00 0.00 C ATOM 1194 OD1 ASP A 77 -27.697 25.371 11.907 1.00 0.00 O ATOM 1195 OD2 ASP A 77 -29.028 26.317 13.257 1.00 0.00 O1- ATOM 0 H ASP A 77 -27.779 29.616 10.105 1.00 0.00 H new ATOM 0 HA ASP A 77 -26.157 27.659 11.222 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -28.342 28.441 12.107 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -29.167 27.662 10.772 1.00 0.00 H new ATOM 1200 N GLY A 78 -26.034 25.635 9.824 1.00 0.00 N ATOM 1201 CA GLY A 78 -25.862 24.474 8.955 1.00 0.00 C ATOM 1202 C GLY A 78 -24.491 23.839 9.151 1.00 0.00 C ATOM 1203 O GLY A 78 -23.816 24.090 10.148 1.00 0.00 O ATOM 0 H GLY A 78 -25.394 25.665 10.618 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -26.640 23.740 9.166 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -25.981 24.774 7.914 1.00 0.00 H new ATOM 1207 N ASN A 79 -24.087 23.014 8.190 1.00 0.00 N ATOM 1208 CA ASN A 79 -22.858 22.242 8.316 1.00 0.00 C ATOM 1209 C ASN A 79 -21.767 22.795 7.407 1.00 0.00 C ATOM 1210 O ASN A 79 -21.807 22.621 6.191 1.00 0.00 O ATOM 1211 CB ASN A 79 -23.092 20.772 8.018 1.00 0.00 C ATOM 1212 CG ASN A 79 -24.112 20.128 8.915 1.00 0.00 C ATOM 1213 OD1 ASN A 79 -23.961 20.103 10.142 1.00 0.00 O ATOM 1214 ND2 ASN A 79 -25.108 19.537 8.307 1.00 0.00 N ATOM 0 H ASN A 79 -24.593 22.864 7.317 1.00 0.00 H new ATOM 0 HA ASN A 79 -22.526 22.331 9.351 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -23.415 20.667 6.982 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -22.148 20.236 8.113 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -25.805 19.026 8.849 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -25.188 19.587 7.291 1.00 0.00 H new ATOM 1221 N TYR A 80 -20.788 23.464 8.011 1.00 0.00 N ATOM 1222 CA TYR A 80 -19.654 24.000 7.265 1.00 0.00 C ATOM 1223 C TYR A 80 -18.606 22.928 7.008 1.00 0.00 C ATOM 1224 O TYR A 80 -17.522 22.950 7.590 1.00 0.00 O ATOM 1225 CB TYR A 80 -19.028 25.177 8.020 1.00 0.00 C ATOM 1226 CG TYR A 80 -19.932 26.383 8.134 1.00 0.00 C ATOM 1227 CD1 TYR A 80 -21.007 26.387 9.008 1.00 0.00 C ATOM 1228 CD2 TYR A 80 -19.703 27.516 7.365 1.00 0.00 C ATOM 1229 CE1 TYR A 80 -21.838 27.489 9.116 1.00 0.00 C ATOM 1230 CE2 TYR A 80 -20.525 28.624 7.463 1.00 0.00 C ATOM 1231 CZ TYR A 80 -21.590 28.605 8.341 1.00 0.00 C ATOM 1232 OH TYR A 80 -22.412 29.704 8.446 1.00 0.00 O ATOM 0 H TYR A 80 -20.758 23.647 9.014 1.00 0.00 H new ATOM 0 HA TYR A 80 -20.024 24.351 6.301 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -18.751 24.847 9.021 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -18.108 25.471 7.515 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -21.200 25.515 9.616 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -18.869 27.532 6.679 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -22.673 27.476 9.801 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -20.335 29.498 6.857 1.00 0.00 H new ATOM 0 HH TYR A 80 -23.338 29.409 8.575 1.00 0.00 H new ATOM 1242 N THR A 81 -18.935 21.984 6.129 1.00 0.00 N ATOM 1243 CA THR A 81 -18.113 20.793 5.938 1.00 0.00 C ATOM 1244 C THR A 81 -16.749 21.154 5.372 1.00 0.00 C ATOM 1245 O THR A 81 -16.643 21.948 4.434 1.00 0.00 O ATOM 1246 CB THR A 81 -18.794 19.779 4.999 1.00 0.00 C ATOM 1247 OG1 THR A 81 -20.062 19.394 5.545 1.00 0.00 O ATOM 1248 CG2 THR A 81 -17.923 18.544 4.826 1.00 0.00 C ATOM 0 H THR A 81 -19.765 22.021 5.538 1.00 0.00 H new ATOM 0 HA THR A 81 -17.988 20.337 6.920 1.00 0.00 H new ATOM 0 HB THR A 81 -18.938 20.248 4.026 1.00 0.00 H new ATOM 0 HG1 THR A 81 -20.494 18.750 4.946 1.00 0.00 H new ATOM 0 HG21 THR A 81 -18.420 17.839 4.160 1.00 0.00 H new ATOM 0 HG22 THR A 81 -16.963 18.833 4.398 1.00 0.00 H new ATOM 0 HG23 THR A 81 -17.761 18.074 5.796 1.00 0.00 H new ATOM 1256 N ILE A 82 -15.702 20.567 5.942 1.00 0.00 N ATOM 1257 CA ILE A 82 -14.348 20.762 5.443 1.00 0.00 C ATOM 1258 C ILE A 82 -13.814 19.492 4.792 1.00 0.00 C ATOM 1259 O ILE A 82 -14.017 18.389 5.299 1.00 0.00 O ATOM 1260 CB ILE A 82 -13.389 21.195 6.567 1.00 0.00 C ATOM 1261 CG1 ILE A 82 -11.937 20.927 6.162 1.00 0.00 C ATOM 1262 CG2 ILE A 82 -13.725 20.471 7.862 1.00 0.00 C ATOM 1263 CD1 ILE A 82 -10.922 21.420 7.168 1.00 0.00 C ATOM 0 H ILE A 82 -15.767 19.951 6.752 1.00 0.00 H new ATOM 0 HA ILE A 82 -14.398 21.555 4.697 1.00 0.00 H new ATOM 0 HB ILE A 82 -13.509 22.266 6.732 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -11.802 19.855 6.019 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -11.744 21.404 5.201 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -13.037 20.789 8.646 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -14.747 20.709 8.157 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -13.632 19.395 7.712 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -9.917 21.194 6.811 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -11.029 22.497 7.294 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -11.087 20.924 8.125 1.00 0.00 H new ATOM 1275 N MET A 83 -13.133 19.652 3.661 1.00 0.00 N ATOM 1276 CA MET A 83 -12.626 18.517 2.903 1.00 0.00 C ATOM 1277 C MET A 83 -11.114 18.598 2.730 1.00 0.00 C ATOM 1278 O MET A 83 -10.595 19.561 2.163 1.00 0.00 O ATOM 1279 CB MET A 83 -13.311 18.446 1.539 1.00 0.00 C ATOM 1280 CG MET A 83 -12.818 17.317 0.645 1.00 0.00 C ATOM 1281 SD MET A 83 -13.766 17.178 -0.884 1.00 0.00 S ATOM 1282 CE MET A 83 -13.219 18.643 -1.755 1.00 0.00 C ATOM 0 H MET A 83 -12.920 20.561 3.250 1.00 0.00 H new ATOM 0 HA MET A 83 -12.852 17.610 3.463 1.00 0.00 H new ATOM 0 HB2 MET A 83 -14.384 18.331 1.691 1.00 0.00 H new ATOM 0 HB3 MET A 83 -13.162 19.394 1.022 1.00 0.00 H new ATOM 0 HG2 MET A 83 -11.768 17.482 0.403 1.00 0.00 H new ATOM 0 HG3 MET A 83 -12.875 16.375 1.191 1.00 0.00 H new ATOM 0 HE1 MET A 83 -13.605 18.626 -2.774 1.00 0.00 H new ATOM 0 HE2 MET A 83 -13.588 19.531 -1.242 1.00 0.00 H new ATOM 0 HE3 MET A 83 -12.130 18.666 -1.781 1.00 0.00 H new ATOM 1292 N ALA A 84 -10.411 17.582 3.222 1.00 0.00 N ATOM 1293 CA ALA A 84 -8.965 17.509 3.068 1.00 0.00 C ATOM 1294 C ALA A 84 -8.586 16.739 1.808 1.00 0.00 C ATOM 1295 O ALA A 84 -8.279 15.548 1.865 1.00 0.00 O ATOM 1296 CB ALA A 84 -8.333 16.868 4.295 1.00 0.00 C ATOM 0 H ALA A 84 -10.821 16.799 3.731 1.00 0.00 H new ATOM 0 HA ALA A 84 -8.583 18.525 2.969 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -7.252 16.821 4.165 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -8.566 17.464 5.178 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -8.728 15.860 4.423 1.00 0.00 H new ATOM 1302 N ALA A 85 -8.605 17.426 0.670 1.00 0.00 N ATOM 1303 CA ALA A 85 -8.320 16.795 -0.611 1.00 0.00 C ATOM 1304 C ALA A 85 -6.854 16.966 -0.996 1.00 0.00 C ATOM 1305 O ALA A 85 -6.375 18.086 -1.171 1.00 0.00 O ATOM 1306 CB ALA A 85 -9.227 17.363 -1.693 1.00 0.00 C ATOM 0 H ALA A 85 -8.816 18.422 0.611 1.00 0.00 H new ATOM 0 HA ALA A 85 -8.517 15.727 -0.514 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -9.003 16.882 -2.645 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -10.268 17.178 -1.429 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -9.061 18.437 -1.781 1.00 0.00 H new ATOM 1312 N ASN A 86 -6.152 15.847 -1.126 1.00 0.00 N ATOM 1313 CA ASN A 86 -4.770 15.863 -1.604 1.00 0.00 C ATOM 1314 C ASN A 86 -4.497 14.681 -2.525 1.00 0.00 C ATOM 1315 O ASN A 86 -5.377 13.865 -2.783 1.00 0.00 O ATOM 1316 CB ASN A 86 -3.782 15.871 -0.452 1.00 0.00 C ATOM 1317 CG ASN A 86 -3.597 14.526 0.195 1.00 0.00 C ATOM 1318 OD1 ASN A 86 -4.263 13.546 -0.160 1.00 0.00 O ATOM 1319 ND2 ASN A 86 -2.754 14.492 1.195 1.00 0.00 N ATOM 0 H ASN A 86 -6.513 14.918 -0.909 1.00 0.00 H new ATOM 0 HA ASN A 86 -4.635 16.784 -2.171 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -2.817 16.226 -0.815 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -4.121 16.583 0.301 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -2.622 13.629 1.722 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -2.228 15.329 1.448 1.00 0.00 H new ATOM 1326 N PRO A 87 -3.264 14.599 -3.018 1.00 0.00 N ATOM 1327 CA PRO A 87 -2.899 13.584 -3.997 1.00 0.00 C ATOM 1328 C PRO A 87 -3.133 12.181 -3.453 1.00 0.00 C ATOM 1329 O PRO A 87 -3.333 11.233 -4.213 1.00 0.00 O ATOM 1330 CB PRO A 87 -1.416 13.853 -4.276 1.00 0.00 C ATOM 1331 CG PRO A 87 -1.242 15.305 -3.993 1.00 0.00 C ATOM 1332 CD PRO A 87 -2.152 15.597 -2.830 1.00 0.00 C ATOM 0 HA PRO A 87 -3.502 13.636 -4.904 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -0.775 13.244 -3.638 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -1.157 13.616 -5.308 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -0.205 15.536 -3.748 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -1.507 15.909 -4.861 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -1.644 15.462 -1.875 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -2.521 16.622 -2.852 1.00 0.00 H new ATOM 1340 N GLN A 88 -3.111 12.054 -2.130 1.00 0.00 N ATOM 1341 CA GLN A 88 -3.167 10.749 -1.483 1.00 0.00 C ATOM 1342 C GLN A 88 -4.602 10.357 -1.158 1.00 0.00 C ATOM 1343 O GLN A 88 -4.852 9.302 -0.576 1.00 0.00 O ATOM 1344 CB GLN A 88 -2.328 10.748 -0.202 1.00 0.00 C ATOM 1345 CG GLN A 88 -0.863 11.089 -0.418 1.00 0.00 C ATOM 1346 CD GLN A 88 -0.183 10.135 -1.380 1.00 0.00 C ATOM 1347 OE1 GLN A 88 -0.297 8.913 -1.251 1.00 0.00 O ATOM 1348 NE2 GLN A 88 0.535 10.688 -2.352 1.00 0.00 N ATOM 0 H GLN A 88 -3.055 12.841 -1.484 1.00 0.00 H new ATOM 0 HA GLN A 88 -2.758 10.017 -2.179 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -2.756 11.463 0.500 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -2.396 9.765 0.263 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -0.782 12.106 -0.801 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -0.343 11.067 0.540 1.00 0.00 H new ATOM 0 HE21 GLN A 88 0.602 11.703 -2.422 1.00 0.00 H new ATOM 0 HE22 GLN A 88 1.019 10.097 -3.028 1.00 0.00 H new ATOM 1357 N GLY A 89 -5.544 11.215 -1.537 1.00 0.00 N ATOM 1358 CA GLY A 89 -6.959 10.947 -1.314 1.00 0.00 C ATOM 1359 C GLY A 89 -7.653 12.138 -0.668 1.00 0.00 C ATOM 1360 O GLY A 89 -7.047 13.196 -0.487 1.00 0.00 O ATOM 0 H GLY A 89 -5.352 12.103 -2.001 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -7.441 10.714 -2.263 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -7.069 10.070 -0.677 1.00 0.00 H new ATOM 1364 N ARG A 90 -8.924 11.962 -0.326 1.00 0.00 N ATOM 1365 CA ARG A 90 -9.716 13.040 0.256 1.00 0.00 C ATOM 1366 C ARG A 90 -10.630 12.520 1.359 1.00 0.00 C ATOM 1367 O ARG A 90 -11.067 11.366 1.324 1.00 0.00 O ATOM 1368 CB ARG A 90 -10.497 13.811 -0.798 1.00 0.00 C ATOM 1369 CG ARG A 90 -11.559 13.002 -1.525 1.00 0.00 C ATOM 1370 CD ARG A 90 -12.332 13.772 -2.533 1.00 0.00 C ATOM 1371 NE ARG A 90 -13.434 13.040 -3.137 1.00 0.00 N ATOM 1372 CZ ARG A 90 -14.245 13.530 -4.094 1.00 0.00 C ATOM 1373 NH1 ARG A 90 -14.107 14.761 -4.533 1.00 0.00 N1+ ATOM 1374 NH2 ARG A 90 -15.201 12.747 -4.563 1.00 0.00 N ATOM 0 H ARG A 90 -9.429 11.083 -0.442 1.00 0.00 H new ATOM 0 HA ARG A 90 -9.017 13.744 0.707 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -10.975 14.667 -0.322 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -9.795 14.206 -1.533 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -11.080 12.157 -2.020 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -12.251 12.590 -0.791 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -12.726 14.672 -2.060 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -11.653 14.097 -3.321 1.00 0.00 H new ATOM 0 HE ARG A 90 -13.605 12.088 -2.813 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -13.377 15.361 -4.148 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -14.730 15.117 -5.258 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -15.309 11.800 -4.200 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -15.831 13.090 -5.288 1.00 0.00 H new ATOM 1388 N VAL A 91 -10.915 13.372 2.336 1.00 0.00 N ATOM 1389 CA VAL A 91 -11.796 13.007 3.438 1.00 0.00 C ATOM 1390 C VAL A 91 -12.459 14.240 4.044 1.00 0.00 C ATOM 1391 O VAL A 91 -11.824 15.282 4.201 1.00 0.00 O ATOM 1392 CB VAL A 91 -11.036 12.250 4.543 1.00 0.00 C ATOM 1393 CG1 VAL A 91 -9.888 13.095 5.075 1.00 0.00 C ATOM 1394 CG2 VAL A 91 -11.979 11.865 5.671 1.00 0.00 C ATOM 0 H VAL A 91 -10.548 14.322 2.387 1.00 0.00 H new ATOM 0 HA VAL A 91 -12.562 12.352 3.024 1.00 0.00 H new ATOM 0 HB VAL A 91 -10.623 11.338 4.113 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -9.362 12.544 5.855 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -9.197 13.323 4.263 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -10.281 14.024 5.489 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -11.424 11.331 6.443 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -12.421 12.765 6.099 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -12.769 11.223 5.282 1.00 0.00 H new ATOM 1404 N SER A 92 -13.737 14.113 4.386 1.00 0.00 N ATOM 1405 CA SER A 92 -14.529 15.254 4.821 1.00 0.00 C ATOM 1406 C SER A 92 -14.839 15.176 6.311 1.00 0.00 C ATOM 1407 O SER A 92 -14.838 14.092 6.898 1.00 0.00 O ATOM 1408 CB SER A 92 -15.812 15.334 4.018 1.00 0.00 C ATOM 1409 OG SER A 92 -16.638 14.224 4.234 1.00 0.00 O ATOM 0 H SER A 92 -14.246 13.229 4.370 1.00 0.00 H new ATOM 0 HA SER A 92 -13.945 16.158 4.649 1.00 0.00 H new ATOM 0 HB2 SER A 92 -16.350 16.243 4.285 1.00 0.00 H new ATOM 0 HB3 SER A 92 -15.572 15.406 2.957 1.00 0.00 H new ATOM 0 HG SER A 92 -17.455 14.315 3.700 1.00 0.00 H new ATOM 1415 N CYS A 93 -15.104 16.325 6.916 1.00 0.00 N ATOM 1416 CA CYS A 93 -15.565 16.376 8.299 1.00 0.00 C ATOM 1417 C CYS A 93 -16.615 17.463 8.493 1.00 0.00 C ATOM 1418 O CYS A 93 -16.504 18.555 7.935 1.00 0.00 O ATOM 1419 CB CYS A 93 -14.288 16.719 9.067 1.00 0.00 C ATOM 1420 SG CYS A 93 -14.523 16.949 10.846 1.00 0.00 S ATOM 0 H CYS A 93 -15.008 17.238 6.471 1.00 0.00 H new ATOM 0 HA CYS A 93 -16.039 15.450 8.626 1.00 0.00 H new ATOM 0 HB2 CYS A 93 -13.559 15.924 8.909 1.00 0.00 H new ATOM 0 HB3 CYS A 93 -13.861 17.630 8.649 1.00 0.00 H new ATOM 0 HG CYS A 93 -13.382 17.233 11.401 1.00 0.00 H new ATOM 1426 N THR A 94 -17.638 17.154 9.285 1.00 0.00 N ATOM 1427 CA THR A 94 -18.807 18.018 9.391 1.00 0.00 C ATOM 1428 C THR A 94 -18.551 19.187 10.334 1.00 0.00 C ATOM 1429 O THR A 94 -18.355 18.990 11.533 1.00 0.00 O ATOM 1430 CB THR A 94 -20.042 17.239 9.881 1.00 0.00 C ATOM 1431 OG1 THR A 94 -20.327 16.169 8.970 1.00 0.00 O ATOM 1432 CG2 THR A 94 -21.251 18.156 9.972 1.00 0.00 C ATOM 0 H THR A 94 -17.680 16.313 9.861 1.00 0.00 H new ATOM 0 HA THR A 94 -19.002 18.402 8.390 1.00 0.00 H new ATOM 0 HB THR A 94 -19.829 16.837 10.871 1.00 0.00 H new ATOM 0 HG1 THR A 94 -21.112 15.673 9.283 1.00 0.00 H new ATOM 0 HG21 THR A 94 -22.114 17.587 10.320 1.00 0.00 H new ATOM 0 HG22 THR A 94 -21.043 18.964 10.673 1.00 0.00 H new ATOM 0 HG23 THR A 94 -21.465 18.575 8.989 1.00 0.00 H new ATOM 1440 N GLY A 95 -18.546 20.394 9.787 1.00 0.00 N ATOM 1441 CA GLY A 95 -18.426 21.602 10.597 1.00 0.00 C ATOM 1442 C GLY A 95 -19.782 22.051 11.125 1.00 0.00 C ATOM 1443 O GLY A 95 -20.278 23.115 10.752 1.00 0.00 O ATOM 0 H GLY A 95 -18.624 20.565 8.784 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -17.751 21.417 11.433 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -17.983 22.400 10.001 1.00 0.00 H new ATOM 1447 N ARG A 96 -20.374 21.237 11.993 1.00 0.00 N ATOM 1448 CA ARG A 96 -21.726 21.482 12.476 1.00 0.00 C ATOM 1449 C ARG A 96 -21.797 22.766 13.294 1.00 0.00 C ATOM 1450 O ARG A 96 -21.302 22.820 14.420 1.00 0.00 O ATOM 1451 CB ARG A 96 -22.281 20.297 13.248 1.00 0.00 C ATOM 1452 CG ARG A 96 -23.726 20.448 13.701 1.00 0.00 C ATOM 1453 CD ARG A 96 -24.285 19.250 14.377 1.00 0.00 C ATOM 1454 NE ARG A 96 -25.672 19.383 14.790 1.00 0.00 N ATOM 1455 CZ ARG A 96 -26.349 18.464 15.507 1.00 0.00 C ATOM 1456 NH1 ARG A 96 -25.785 17.331 15.859 1.00 0.00 N1+ ATOM 1457 NH2 ARG A 96 -27.605 18.724 15.827 1.00 0.00 N ATOM 0 H ARG A 96 -19.936 20.400 12.377 1.00 0.00 H new ATOM 0 HA ARG A 96 -22.361 21.612 11.599 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -22.202 19.406 12.624 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -21.656 20.128 14.125 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -23.794 21.298 14.380 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -24.343 20.682 12.834 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -24.200 18.396 13.705 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -23.678 19.027 15.254 1.00 0.00 H new ATOM 0 HE ARG A 96 -26.168 20.232 14.518 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -24.821 17.136 15.590 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -26.311 16.646 16.402 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -28.036 19.600 15.532 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -28.144 18.048 16.369 1.00 0.00 H new ATOM 1471 N LEU A 97 -22.412 23.795 12.725 1.00 0.00 N ATOM 1472 CA LEU A 97 -22.646 25.041 13.443 1.00 0.00 C ATOM 1473 C LEU A 97 -24.136 25.311 13.611 1.00 0.00 C ATOM 1474 O LEU A 97 -24.834 25.614 12.640 1.00 0.00 O ATOM 1475 CB LEU A 97 -21.971 26.208 12.713 1.00 0.00 C ATOM 1476 CG LEU A 97 -22.245 27.597 13.305 1.00 0.00 C ATOM 1477 CD1 LEU A 97 -21.755 27.656 14.745 1.00 0.00 C ATOM 1478 CD2 LEU A 97 -21.559 28.656 12.457 1.00 0.00 C ATOM 0 H LEU A 97 -22.759 23.791 11.766 1.00 0.00 H new ATOM 0 HA LEU A 97 -22.209 24.945 14.437 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -20.894 26.039 12.709 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -22.298 26.203 11.673 1.00 0.00 H new ATOM 0 HG LEU A 97 -23.318 27.788 13.302 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -21.954 28.646 15.157 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -22.277 26.905 15.338 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -20.683 27.460 14.773 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -21.754 29.642 12.878 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -20.485 28.473 12.445 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -21.946 28.613 11.439 1.00 0.00 H new ATOM 1490 N MET A 98 -24.617 25.201 14.842 1.00 0.00 N ATOM 1491 CA MET A 98 -26.029 25.419 15.137 1.00 0.00 C ATOM 1492 C MET A 98 -26.255 26.794 15.752 1.00 0.00 C ATOM 1493 O MET A 98 -25.529 27.211 16.653 1.00 0.00 O ATOM 1494 CB MET A 98 -26.547 24.329 16.073 1.00 0.00 C ATOM 1495 CG MET A 98 -28.042 24.399 16.353 1.00 0.00 C ATOM 1496 SD MET A 98 -28.610 23.068 17.430 1.00 0.00 S ATOM 1497 CE MET A 98 -27.912 23.581 18.997 1.00 0.00 C ATOM 0 H MET A 98 -24.050 24.962 15.655 1.00 0.00 H new ATOM 0 HA MET A 98 -26.582 25.373 14.199 1.00 0.00 H new ATOM 0 HB2 MET A 98 -26.316 23.356 15.640 1.00 0.00 H new ATOM 0 HB3 MET A 98 -26.009 24.393 17.019 1.00 0.00 H new ATOM 0 HG2 MET A 98 -28.277 25.359 16.813 1.00 0.00 H new ATOM 0 HG3 MET A 98 -28.587 24.356 15.410 1.00 0.00 H new ATOM 0 HE1 MET A 98 -28.576 23.280 19.807 1.00 0.00 H new ATOM 0 HE2 MET A 98 -26.938 23.111 19.133 1.00 0.00 H new ATOM 0 HE3 MET A 98 -27.796 24.665 19.006 1.00 0.00 H new ATOM 1507 N VAL A 99 -27.270 27.497 15.255 1.00 0.00 N ATOM 1508 CA VAL A 99 -27.523 28.872 15.666 1.00 0.00 C ATOM 1509 C VAL A 99 -28.795 28.975 16.496 1.00 0.00 C ATOM 1510 O VAL A 99 -29.847 28.471 16.108 1.00 0.00 O ATOM 1511 CB VAL A 99 -27.637 29.813 14.451 1.00 0.00 C ATOM 1512 CG1 VAL A 99 -27.945 31.232 14.905 1.00 0.00 C ATOM 1513 CG2 VAL A 99 -26.356 29.782 13.631 1.00 0.00 C ATOM 0 H VAL A 99 -27.930 27.135 14.567 1.00 0.00 H new ATOM 0 HA VAL A 99 -26.672 29.179 16.274 1.00 0.00 H new ATOM 0 HB VAL A 99 -28.457 29.466 13.822 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -28.022 31.884 14.035 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -28.888 31.243 15.451 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -27.145 31.588 15.555 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -26.454 30.452 12.777 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -25.519 30.104 14.251 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -26.175 28.767 13.277 1.00 0.00 H new ATOM 1523 N GLN A 100 -28.690 29.631 17.648 1.00 0.00 N ATOM 1524 CA GLN A 100 -29.840 29.838 18.521 1.00 0.00 C ATOM 1525 C GLN A 100 -30.326 31.278 18.461 1.00 0.00 C ATOM 1526 O GLN A 100 -29.542 32.218 18.606 1.00 0.00 O ATOM 1527 CB GLN A 100 -29.490 29.472 19.966 1.00 0.00 C ATOM 1528 CG GLN A 100 -30.654 29.584 20.935 1.00 0.00 C ATOM 1529 CD GLN A 100 -30.284 29.136 22.337 1.00 0.00 C ATOM 1530 OE1 GLN A 100 -29.153 28.713 22.591 1.00 0.00 O ATOM 1531 NE2 GLN A 100 -31.240 29.221 23.256 1.00 0.00 N ATOM 0 H GLN A 100 -27.819 30.029 17.999 1.00 0.00 H new ATOM 0 HA GLN A 100 -30.641 29.188 18.170 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -29.110 28.451 19.989 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -28.683 30.120 20.308 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -30.999 30.617 20.966 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -31.486 28.981 20.571 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -32.161 29.577 23.002 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -31.052 28.930 24.216 1.00 0.00 H new