USER MOD reduce.3.24.130724 H: found=0, std=0, add=800, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 801 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 Single : A 5 GLN : amide:sc= 0.845 K(o=0.85,f=-8.6!) USER MOD Single : A 10 ASN : amide:sc= -5.67! C(o=-5.7!,f=-9.8!) USER MOD Single : A 11 THR OG1 : rot 120:sc= -4.2! USER MOD Single : A 14 HIS : no HE2:sc= -11.6! C(o=-12!,f=-14!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot -7:sc=-0.00816 USER MOD Single : A 43 TYR OH : rot -90:sc= -0.0631 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.0513 X(o=-0.051,f=-0.011) USER MOD Single : A 58 THR OG1 : rot -65:sc= 0.954 USER MOD Single : A 62 GLN : amide:sc= -0.0159 K(o=-0.016,f=-1.9!) USER MOD Single : A 63 ASN : amide:sc= -1.47! C(o=-1.5!,f=-8.6!) USER MOD Single : A 64 GLN : amide:sc= -6.77! K(o=-6.8!,f=-5.3) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 CYS SG : rot 69:sc= -0.958 USER MOD Single : A 80 LYS NZ :NH3+ -134:sc= 0 (180deg=-0.0327) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 179:sc= -3.95! USER MOD Single : A 92 THR OG1 : rot 180:sc= 0.047 USER MOD Single : A 96 TYR OH : rot 34:sc= 0.283 USER MOD ----------------------------------------------------------------- ATOM 55 N GLN A 5 4.168 31.322 -9.879 1.00 0.00 N ATOM 56 CA GLN A 5 2.844 31.194 -10.557 1.00 0.00 C ATOM 57 C GLN A 5 1.798 32.061 -9.847 1.00 0.00 C ATOM 58 O GLN A 5 2.128 32.929 -9.062 1.00 0.00 O ATOM 59 CB GLN A 5 2.485 29.711 -10.440 1.00 0.00 C ATOM 60 CG GLN A 5 2.094 29.165 -11.816 1.00 0.00 C ATOM 61 CD GLN A 5 0.612 28.779 -11.814 1.00 0.00 C ATOM 62 OE1 GLN A 5 -0.187 29.402 -11.143 1.00 0.00 O ATOM 63 NE2 GLN A 5 0.207 27.770 -12.540 1.00 0.00 N ATOM 0 HA GLN A 5 2.875 31.526 -11.595 1.00 0.00 H new ATOM 0 HB2 GLN A 5 3.333 29.152 -10.044 1.00 0.00 H new ATOM 0 HB3 GLN A 5 1.661 29.581 -9.739 1.00 0.00 H new ATOM 0 HG2 GLN A 5 2.284 29.916 -12.583 1.00 0.00 H new ATOM 0 HG3 GLN A 5 2.706 28.297 -12.061 1.00 0.00 H new ATOM 0 HE21 GLN A 5 0.876 27.246 -13.104 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -0.778 27.507 -12.543 1.00 0.00 H new ATOM 72 N VAL A 6 0.540 31.834 -10.114 1.00 0.00 N ATOM 73 CA VAL A 6 -0.525 32.646 -9.452 1.00 0.00 C ATOM 74 C VAL A 6 -1.665 31.737 -8.981 1.00 0.00 C ATOM 75 O VAL A 6 -2.102 30.852 -9.689 1.00 0.00 O ATOM 76 CB VAL A 6 -1.016 33.611 -10.531 1.00 0.00 C ATOM 77 CG1 VAL A 6 -2.187 34.432 -9.989 1.00 0.00 C ATOM 78 CG2 VAL A 6 0.124 34.553 -10.927 1.00 0.00 C ATOM 0 H VAL A 6 0.202 31.122 -10.762 1.00 0.00 H new ATOM 0 HA VAL A 6 -0.157 33.174 -8.573 1.00 0.00 H new ATOM 0 HB VAL A 6 -1.343 33.044 -11.403 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -2.536 35.120 -10.759 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -2.999 33.763 -9.704 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -1.861 34.999 -9.117 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -0.224 35.242 -11.696 1.00 0.00 H new ATOM 0 HG22 VAL A 6 0.449 35.118 -10.054 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.960 33.970 -11.313 1.00 0.00 H new ATOM 88 N VAL A 7 -2.144 31.944 -7.784 1.00 0.00 N ATOM 89 CA VAL A 7 -3.247 31.088 -7.259 1.00 0.00 C ATOM 90 C VAL A 7 -4.496 31.209 -8.138 1.00 0.00 C ATOM 91 O VAL A 7 -5.072 32.271 -8.276 1.00 0.00 O ATOM 92 CB VAL A 7 -3.529 31.628 -5.857 1.00 0.00 C ATOM 93 CG1 VAL A 7 -4.773 30.945 -5.285 1.00 0.00 C ATOM 94 CG2 VAL A 7 -2.330 31.340 -4.949 1.00 0.00 C ATOM 0 H VAL A 7 -1.819 32.670 -7.146 1.00 0.00 H new ATOM 0 HA VAL A 7 -2.974 30.033 -7.250 1.00 0.00 H new ATOM 0 HB VAL A 7 -3.697 32.704 -5.911 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -4.973 31.331 -4.285 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -5.628 31.147 -5.930 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -4.605 29.869 -5.232 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -2.530 31.725 -3.949 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -2.163 30.264 -4.897 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -1.442 31.826 -5.354 1.00 0.00 H new ATOM 104 N LEU A 8 -4.925 30.123 -8.724 1.00 0.00 N ATOM 105 CA LEU A 8 -6.143 30.163 -9.584 1.00 0.00 C ATOM 106 C LEU A 8 -7.398 30.152 -8.704 1.00 0.00 C ATOM 107 O LEU A 8 -7.318 29.884 -7.521 1.00 0.00 O ATOM 108 CB LEU A 8 -6.068 28.888 -10.437 1.00 0.00 C ATOM 109 CG LEU A 8 -4.861 28.925 -11.397 1.00 0.00 C ATOM 110 CD1 LEU A 8 -4.387 30.365 -11.634 1.00 0.00 C ATOM 111 CD2 LEU A 8 -3.716 28.106 -10.798 1.00 0.00 C ATOM 0 H LEU A 8 -4.483 29.207 -8.644 1.00 0.00 H new ATOM 0 HA LEU A 8 -6.191 31.060 -10.202 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -5.991 28.017 -9.786 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -6.988 28.777 -11.011 1.00 0.00 H new ATOM 0 HG LEU A 8 -5.167 28.503 -12.354 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -3.535 30.360 -12.314 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -5.198 30.948 -12.071 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -4.091 30.811 -10.685 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -2.860 28.129 -11.473 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -3.430 28.530 -9.835 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -4.040 27.075 -10.658 1.00 0.00 H new ATOM 123 N PRO A 9 -8.522 30.443 -9.306 1.00 0.00 N ATOM 124 CA PRO A 9 -9.802 30.460 -8.554 1.00 0.00 C ATOM 125 C PRO A 9 -10.206 29.038 -8.157 1.00 0.00 C ATOM 126 O PRO A 9 -10.730 28.808 -7.085 1.00 0.00 O ATOM 127 CB PRO A 9 -10.794 31.061 -9.547 1.00 0.00 C ATOM 128 CG PRO A 9 -10.209 30.779 -10.892 1.00 0.00 C ATOM 129 CD PRO A 9 -8.711 30.776 -10.724 1.00 0.00 C ATOM 0 HA PRO A 9 -9.749 31.026 -7.624 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -11.780 30.609 -9.443 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -10.915 32.132 -9.385 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -10.557 29.818 -11.271 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -10.516 31.537 -11.613 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -8.236 30.042 -11.375 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -8.278 31.746 -10.969 1.00 0.00 H new ATOM 137 N ASN A 10 -9.961 28.079 -9.007 1.00 0.00 N ATOM 138 CA ASN A 10 -10.326 26.673 -8.671 1.00 0.00 C ATOM 139 C ASN A 10 -9.739 25.712 -9.706 1.00 0.00 C ATOM 140 O ASN A 10 -10.379 24.767 -10.124 1.00 0.00 O ATOM 141 CB ASN A 10 -11.853 26.636 -8.711 1.00 0.00 C ATOM 142 CG ASN A 10 -12.364 25.673 -7.638 1.00 0.00 C ATOM 143 OD1 ASN A 10 -13.018 26.083 -6.700 1.00 0.00 O ATOM 144 ND2 ASN A 10 -12.094 24.399 -7.739 1.00 0.00 N ATOM 0 H ASN A 10 -9.524 28.208 -9.920 1.00 0.00 H new ATOM 0 HA ASN A 10 -9.938 26.369 -7.699 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -12.257 27.634 -8.542 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -12.195 26.316 -9.695 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -12.432 23.748 -7.030 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -11.545 24.055 -8.527 1.00 0.00 H new ATOM 151 N THR A 11 -8.524 25.943 -10.119 1.00 0.00 N ATOM 152 CA THR A 11 -7.893 25.042 -11.124 1.00 0.00 C ATOM 153 C THR A 11 -6.731 24.284 -10.483 1.00 0.00 C ATOM 154 O THR A 11 -6.214 24.680 -9.455 1.00 0.00 O ATOM 155 CB THR A 11 -7.381 25.972 -12.227 1.00 0.00 C ATOM 156 OG1 THR A 11 -6.192 26.614 -11.786 1.00 0.00 O ATOM 157 CG2 THR A 11 -8.443 27.024 -12.549 1.00 0.00 C ATOM 0 H THR A 11 -7.940 26.718 -9.804 1.00 0.00 H new ATOM 0 HA THR A 11 -8.590 24.299 -11.512 1.00 0.00 H new ATOM 0 HB THR A 11 -7.170 25.390 -13.124 1.00 0.00 H new ATOM 0 HG1 THR A 11 -5.454 26.386 -12.389 1.00 0.00 H new ATOM 0 HG21 THR A 11 -8.075 27.684 -13.334 1.00 0.00 H new ATOM 0 HG22 THR A 11 -9.354 26.530 -12.887 1.00 0.00 H new ATOM 0 HG23 THR A 11 -8.658 27.609 -11.655 1.00 0.00 H new ATOM 165 N ALA A 12 -6.310 23.197 -11.072 1.00 0.00 N ATOM 166 CA ALA A 12 -5.178 22.438 -10.476 1.00 0.00 C ATOM 167 C ALA A 12 -4.338 21.792 -11.578 1.00 0.00 C ATOM 168 O ALA A 12 -4.817 21.544 -12.663 1.00 0.00 O ATOM 169 CB ALA A 12 -5.831 21.373 -9.595 1.00 0.00 C ATOM 0 H ALA A 12 -6.697 22.807 -11.931 1.00 0.00 H new ATOM 0 HA ALA A 12 -4.507 23.078 -9.903 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -5.058 20.770 -9.119 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -6.437 21.856 -8.829 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -6.465 20.732 -10.208 1.00 0.00 H new ATOM 175 N LEU A 13 -3.088 21.521 -11.313 1.00 0.00 N ATOM 176 CA LEU A 13 -2.231 20.893 -12.362 1.00 0.00 C ATOM 177 C LEU A 13 -1.628 19.580 -11.852 1.00 0.00 C ATOM 178 O LEU A 13 -1.464 19.381 -10.666 1.00 0.00 O ATOM 179 CB LEU A 13 -1.135 21.927 -12.657 1.00 0.00 C ATOM 180 CG LEU A 13 -0.040 21.871 -11.585 1.00 0.00 C ATOM 181 CD1 LEU A 13 1.290 21.472 -12.230 1.00 0.00 C ATOM 182 CD2 LEU A 13 0.110 23.249 -10.938 1.00 0.00 C ATOM 0 H LEU A 13 -2.625 21.705 -10.423 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.798 20.641 -13.258 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.701 21.736 -13.638 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.569 22.926 -12.690 1.00 0.00 H new ATOM 0 HG LEU A 13 -0.314 21.136 -10.828 1.00 0.00 H new ATOM 0 HD11 LEU A 13 2.067 21.433 -11.467 1.00 0.00 H new ATOM 0 HD12 LEU A 13 1.189 20.492 -12.696 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.562 22.207 -12.987 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.888 23.210 -10.176 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.383 23.980 -11.699 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.834 23.540 -10.478 1.00 0.00 H new ATOM 194 N HIS A 14 -1.298 18.683 -12.739 1.00 0.00 N ATOM 195 CA HIS A 14 -0.704 17.386 -12.305 1.00 0.00 C ATOM 196 C HIS A 14 0.824 17.466 -12.361 1.00 0.00 C ATOM 197 O HIS A 14 1.396 17.828 -13.368 1.00 0.00 O ATOM 198 CB HIS A 14 -1.217 16.356 -13.316 1.00 0.00 C ATOM 199 CG HIS A 14 -2.722 16.340 -13.321 1.00 0.00 C ATOM 200 ND1 HIS A 14 -3.445 15.191 -13.601 1.00 0.00 N ATOM 201 CD2 HIS A 14 -3.656 17.322 -13.093 1.00 0.00 C ATOM 202 CE1 HIS A 14 -4.752 15.505 -13.535 1.00 0.00 C ATOM 203 NE2 HIS A 14 -4.936 16.792 -13.228 1.00 0.00 N ATOM 0 H HIS A 14 -1.414 18.791 -13.747 1.00 0.00 H new ATOM 0 HA HIS A 14 -0.978 17.127 -11.282 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -0.845 16.596 -14.312 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -0.836 15.366 -13.064 1.00 0.00 H new ATOM 0 HD1 HIS A 14 -3.057 14.273 -13.818 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -3.431 18.349 -12.846 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -5.554 14.803 -13.709 1.00 0.00 H new ATOM 211 N LEU A 15 1.495 17.131 -11.291 1.00 0.00 N ATOM 212 CA LEU A 15 2.986 17.194 -11.311 1.00 0.00 C ATOM 213 C LEU A 15 3.588 15.948 -10.657 1.00 0.00 C ATOM 214 O LEU A 15 3.019 15.368 -9.752 1.00 0.00 O ATOM 215 CB LEU A 15 3.383 18.464 -10.543 1.00 0.00 C ATOM 216 CG LEU A 15 2.394 18.769 -9.413 1.00 0.00 C ATOM 217 CD1 LEU A 15 3.032 19.777 -8.458 1.00 0.00 C ATOM 218 CD2 LEU A 15 1.114 19.376 -9.989 1.00 0.00 C ATOM 0 H LEU A 15 1.081 16.820 -10.412 1.00 0.00 H new ATOM 0 HA LEU A 15 3.363 17.226 -12.333 1.00 0.00 H new ATOM 0 HB2 LEU A 15 4.384 18.342 -10.129 1.00 0.00 H new ATOM 0 HB3 LEU A 15 3.423 19.309 -11.231 1.00 0.00 H new ATOM 0 HG LEU A 15 2.151 17.846 -8.887 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.337 20.002 -7.649 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.948 19.356 -8.043 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.267 20.693 -9.000 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.416 19.590 -9.179 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.354 20.300 -10.515 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.658 18.671 -10.684 1.00 0.00 H new ATOM 230 N LYS A 16 4.738 15.532 -11.120 1.00 0.00 N ATOM 231 CA LYS A 16 5.390 14.320 -10.541 1.00 0.00 C ATOM 232 C LYS A 16 6.499 14.726 -9.566 1.00 0.00 C ATOM 233 O LYS A 16 7.434 15.411 -9.926 1.00 0.00 O ATOM 234 CB LYS A 16 5.982 13.580 -11.740 1.00 0.00 C ATOM 235 CG LYS A 16 5.412 12.162 -11.801 1.00 0.00 C ATOM 236 CD LYS A 16 6.246 11.318 -12.767 1.00 0.00 C ATOM 237 CE LYS A 16 5.530 11.224 -14.117 1.00 0.00 C ATOM 238 NZ LYS A 16 5.662 9.797 -14.529 1.00 0.00 N ATOM 0 H LYS A 16 5.255 15.981 -11.876 1.00 0.00 H new ATOM 0 HA LYS A 16 4.687 13.702 -9.983 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.751 14.115 -12.661 1.00 0.00 H new ATOM 0 HB3 LYS A 16 7.068 13.543 -11.657 1.00 0.00 H new ATOM 0 HG2 LYS A 16 5.420 11.712 -10.808 1.00 0.00 H new ATOM 0 HG3 LYS A 16 4.373 12.190 -12.130 1.00 0.00 H new ATOM 0 HD2 LYS A 16 7.232 11.764 -12.897 1.00 0.00 H new ATOM 0 HD3 LYS A 16 6.399 10.321 -12.355 1.00 0.00 H new ATOM 0 HE2 LYS A 16 4.483 11.513 -14.029 1.00 0.00 H new ATOM 0 HE3 LYS A 16 5.984 11.890 -14.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 5.194 9.656 -15.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 6.669 9.551 -14.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 5.215 9.187 -13.815 1.00 0.00 H new ATOM 252 N ALA A 17 6.398 14.311 -8.333 1.00 0.00 N ATOM 253 CA ALA A 17 7.442 14.677 -7.335 1.00 0.00 C ATOM 254 C ALA A 17 8.632 13.729 -7.452 1.00 0.00 C ATOM 255 O ALA A 17 8.531 12.549 -7.177 1.00 0.00 O ATOM 256 CB ALA A 17 6.764 14.525 -5.974 1.00 0.00 C ATOM 0 H ALA A 17 5.637 13.734 -7.974 1.00 0.00 H new ATOM 0 HA ALA A 17 7.823 15.687 -7.486 1.00 0.00 H new ATOM 0 HB1 ALA A 17 7.472 14.778 -5.185 1.00 0.00 H new ATOM 0 HB2 ALA A 17 5.905 15.193 -5.919 1.00 0.00 H new ATOM 0 HB3 ALA A 17 6.431 13.495 -5.846 1.00 0.00 H new ATOM 262 N LEU A 18 9.757 14.239 -7.863 1.00 0.00 N ATOM 263 CA LEU A 18 10.955 13.367 -8.002 1.00 0.00 C ATOM 264 C LEU A 18 11.940 13.622 -6.860 1.00 0.00 C ATOM 265 O LEU A 18 12.705 14.565 -6.883 1.00 0.00 O ATOM 266 CB LEU A 18 11.579 13.766 -9.338 1.00 0.00 C ATOM 267 CG LEU A 18 11.559 12.568 -10.286 1.00 0.00 C ATOM 268 CD1 LEU A 18 12.429 11.447 -9.713 1.00 0.00 C ATOM 269 CD2 LEU A 18 10.120 12.066 -10.441 1.00 0.00 C ATOM 0 H LEU A 18 9.899 15.219 -8.108 1.00 0.00 H new ATOM 0 HA LEU A 18 10.697 12.309 -7.966 1.00 0.00 H new ATOM 0 HB2 LEU A 18 11.028 14.599 -9.775 1.00 0.00 H new ATOM 0 HB3 LEU A 18 12.603 14.106 -9.186 1.00 0.00 H new ATOM 0 HG LEU A 18 11.948 12.869 -11.259 1.00 0.00 H new ATOM 0 HD11 LEU A 18 12.414 10.593 -10.390 1.00 0.00 H new ATOM 0 HD12 LEU A 18 13.453 11.803 -9.600 1.00 0.00 H new ATOM 0 HD13 LEU A 18 12.040 11.146 -8.740 1.00 0.00 H new ATOM 0 HD21 LEU A 18 10.104 11.211 -11.117 1.00 0.00 H new ATOM 0 HD22 LEU A 18 9.732 11.766 -9.467 1.00 0.00 H new ATOM 0 HD23 LEU A 18 9.499 12.863 -10.849 1.00 0.00 H new ATOM 281 N LEU A 19 11.929 12.782 -5.864 1.00 0.00 N ATOM 282 CA LEU A 19 12.866 12.961 -4.722 1.00 0.00 C ATOM 283 C LEU A 19 12.879 11.703 -3.851 1.00 0.00 C ATOM 284 O LEU A 19 11.845 11.170 -3.498 1.00 0.00 O ATOM 285 CB LEU A 19 12.308 14.149 -3.934 1.00 0.00 C ATOM 286 CG LEU A 19 13.439 15.123 -3.599 1.00 0.00 C ATOM 287 CD1 LEU A 19 14.569 14.377 -2.888 1.00 0.00 C ATOM 288 CD2 LEU A 19 13.974 15.748 -4.890 1.00 0.00 C ATOM 0 H LEU A 19 11.308 11.976 -5.792 1.00 0.00 H new ATOM 0 HA LEU A 19 13.891 13.134 -5.051 1.00 0.00 H new ATOM 0 HB2 LEU A 19 11.540 14.656 -4.518 1.00 0.00 H new ATOM 0 HB3 LEU A 19 11.833 13.799 -3.017 1.00 0.00 H new ATOM 0 HG LEU A 19 13.057 15.907 -2.945 1.00 0.00 H new ATOM 0 HD11 LEU A 19 15.373 15.074 -2.651 1.00 0.00 H new ATOM 0 HD12 LEU A 19 14.190 13.934 -1.967 1.00 0.00 H new ATOM 0 HD13 LEU A 19 14.951 13.590 -3.538 1.00 0.00 H new ATOM 0 HD21 LEU A 19 14.780 16.442 -4.651 1.00 0.00 H new ATOM 0 HD22 LEU A 19 14.353 14.963 -5.544 1.00 0.00 H new ATOM 0 HD23 LEU A 19 13.171 16.285 -5.395 1.00 0.00 H new ATOM 300 N ASP A 20 14.037 11.229 -3.487 1.00 0.00 N ATOM 301 CA ASP A 20 14.096 10.021 -2.619 1.00 0.00 C ATOM 302 C ASP A 20 13.797 10.438 -1.177 1.00 0.00 C ATOM 303 O ASP A 20 14.635 10.998 -0.499 1.00 0.00 O ATOM 304 CB ASP A 20 15.529 9.505 -2.750 1.00 0.00 C ATOM 305 CG ASP A 20 15.730 8.315 -1.811 1.00 0.00 C ATOM 306 OD1 ASP A 20 16.065 8.543 -0.661 1.00 0.00 O ATOM 307 OD2 ASP A 20 15.545 7.195 -2.259 1.00 0.00 O ATOM 0 H ASP A 20 14.940 11.623 -3.751 1.00 0.00 H new ATOM 0 HA ASP A 20 13.374 9.254 -2.900 1.00 0.00 H new ATOM 0 HB2 ASP A 20 15.727 9.207 -3.780 1.00 0.00 H new ATOM 0 HB3 ASP A 20 16.236 10.298 -2.506 1.00 0.00 H new ATOM 312 N PHE A 21 12.601 10.198 -0.710 1.00 0.00 N ATOM 313 CA PHE A 21 12.255 10.617 0.678 1.00 0.00 C ATOM 314 C PHE A 21 11.771 9.432 1.519 1.00 0.00 C ATOM 315 O PHE A 21 10.970 8.629 1.083 1.00 0.00 O ATOM 316 CB PHE A 21 11.127 11.633 0.503 1.00 0.00 C ATOM 317 CG PHE A 21 11.471 12.896 1.250 1.00 0.00 C ATOM 318 CD1 PHE A 21 12.712 13.509 1.046 1.00 0.00 C ATOM 319 CD2 PHE A 21 10.550 13.456 2.142 1.00 0.00 C ATOM 320 CE1 PHE A 21 13.034 14.683 1.738 1.00 0.00 C ATOM 321 CE2 PHE A 21 10.870 14.628 2.833 1.00 0.00 C ATOM 322 CZ PHE A 21 12.112 15.242 2.632 1.00 0.00 C ATOM 0 H PHE A 21 11.854 9.733 -1.226 1.00 0.00 H new ATOM 0 HA PHE A 21 13.119 11.027 1.200 1.00 0.00 H new ATOM 0 HB2 PHE A 21 10.980 11.851 -0.555 1.00 0.00 H new ATOM 0 HB3 PHE A 21 10.190 11.220 0.876 1.00 0.00 H new ATOM 0 HD1 PHE A 21 13.421 13.077 0.355 1.00 0.00 H new ATOM 0 HD2 PHE A 21 9.592 12.983 2.297 1.00 0.00 H new ATOM 0 HE1 PHE A 21 13.992 15.157 1.583 1.00 0.00 H new ATOM 0 HE2 PHE A 21 10.159 15.060 3.522 1.00 0.00 H new ATOM 0 HZ PHE A 21 12.359 16.147 3.167 1.00 0.00 H new ATOM 434 N VAL A 29 8.464 8.589 0.097 1.00 0.00 N ATOM 435 CA VAL A 29 8.388 8.653 -1.396 1.00 0.00 C ATOM 436 C VAL A 29 9.722 8.185 -1.990 1.00 0.00 C ATOM 437 O VAL A 29 10.760 8.313 -1.372 1.00 0.00 O ATOM 438 CB VAL A 29 8.077 10.126 -1.758 1.00 0.00 C ATOM 439 CG1 VAL A 29 7.394 10.836 -0.586 1.00 0.00 C ATOM 440 CG2 VAL A 29 9.363 10.883 -2.115 1.00 0.00 C ATOM 0 HA VAL A 29 7.613 8.003 -1.802 1.00 0.00 H new ATOM 0 HB VAL A 29 7.410 10.120 -2.620 1.00 0.00 H new ATOM 0 HG11 VAL A 29 7.184 11.870 -0.860 1.00 0.00 H new ATOM 0 HG12 VAL A 29 6.461 10.327 -0.346 1.00 0.00 H new ATOM 0 HG13 VAL A 29 8.051 10.817 0.283 1.00 0.00 H new ATOM 0 HG21 VAL A 29 9.120 11.915 -2.366 1.00 0.00 H new ATOM 0 HG22 VAL A 29 10.043 10.867 -1.263 1.00 0.00 H new ATOM 0 HG23 VAL A 29 9.841 10.405 -2.970 1.00 0.00 H new ATOM 450 N VAL A 30 9.709 7.640 -3.175 1.00 0.00 N ATOM 451 CA VAL A 30 10.988 7.165 -3.777 1.00 0.00 C ATOM 452 C VAL A 30 11.126 7.644 -5.223 1.00 0.00 C ATOM 453 O VAL A 30 10.917 6.894 -6.157 1.00 0.00 O ATOM 454 CB VAL A 30 10.906 5.644 -3.727 1.00 0.00 C ATOM 455 CG1 VAL A 30 10.917 5.184 -2.270 1.00 0.00 C ATOM 456 CG2 VAL A 30 9.612 5.182 -4.400 1.00 0.00 C ATOM 0 H VAL A 30 8.877 7.503 -3.749 1.00 0.00 H new ATOM 0 HA VAL A 30 11.854 7.551 -3.240 1.00 0.00 H new ATOM 0 HB VAL A 30 11.760 5.214 -4.250 1.00 0.00 H new ATOM 0 HG11 VAL A 30 10.858 4.096 -2.231 1.00 0.00 H new ATOM 0 HG12 VAL A 30 11.838 5.515 -1.791 1.00 0.00 H new ATOM 0 HG13 VAL A 30 10.062 5.612 -1.747 1.00 0.00 H new ATOM 0 HG21 VAL A 30 9.552 4.094 -4.365 1.00 0.00 H new ATOM 0 HG22 VAL A 30 8.757 5.610 -3.877 1.00 0.00 H new ATOM 0 HG23 VAL A 30 9.604 5.513 -5.439 1.00 0.00 H new ATOM 466 N ALA A 31 11.497 8.881 -5.406 1.00 0.00 N ATOM 467 CA ALA A 31 11.675 9.427 -6.788 1.00 0.00 C ATOM 468 C ALA A 31 10.640 8.839 -7.755 1.00 0.00 C ATOM 469 O ALA A 31 10.964 8.031 -8.602 1.00 0.00 O ATOM 470 CB ALA A 31 13.085 9.001 -7.194 1.00 0.00 C ATOM 0 H ALA A 31 11.687 9.544 -4.655 1.00 0.00 H new ATOM 0 HA ALA A 31 11.539 10.508 -6.817 1.00 0.00 H new ATOM 0 HB1 ALA A 31 13.299 9.362 -8.200 1.00 0.00 H new ATOM 0 HB2 ALA A 31 13.808 9.423 -6.496 1.00 0.00 H new ATOM 0 HB3 ALA A 31 13.156 7.913 -7.176 1.00 0.00 H new ATOM 476 N GLY A 32 9.400 9.238 -7.643 1.00 0.00 N ATOM 477 CA GLY A 32 8.366 8.692 -8.570 1.00 0.00 C ATOM 478 C GLY A 32 6.962 9.027 -8.059 1.00 0.00 C ATOM 479 O GLY A 32 6.035 8.260 -8.231 1.00 0.00 O ATOM 0 H GLY A 32 9.061 9.912 -6.956 1.00 0.00 H new ATOM 0 HA2 GLY A 32 8.506 9.109 -9.567 1.00 0.00 H new ATOM 0 HA3 GLY A 32 8.480 7.611 -8.657 1.00 0.00 H new ATOM 483 N ASP A 33 6.786 10.163 -7.441 1.00 0.00 N ATOM 484 CA ASP A 33 5.427 10.523 -6.937 1.00 0.00 C ATOM 485 C ASP A 33 4.676 11.358 -7.979 1.00 0.00 C ATOM 486 O ASP A 33 5.262 12.150 -8.691 1.00 0.00 O ATOM 487 CB ASP A 33 5.664 11.349 -5.671 1.00 0.00 C ATOM 488 CG ASP A 33 6.799 10.733 -4.850 1.00 0.00 C ATOM 489 OD1 ASP A 33 6.933 9.521 -4.877 1.00 0.00 O ATOM 490 OD2 ASP A 33 7.514 11.485 -4.209 1.00 0.00 O ATOM 0 H ASP A 33 7.516 10.853 -7.264 1.00 0.00 H new ATOM 0 HA ASP A 33 4.824 9.637 -6.737 1.00 0.00 H new ATOM 0 HB2 ASP A 33 5.913 12.376 -5.938 1.00 0.00 H new ATOM 0 HB3 ASP A 33 4.752 11.387 -5.075 1.00 0.00 H new ATOM 495 N GLU A 34 3.386 11.194 -8.069 1.00 0.00 N ATOM 496 CA GLU A 34 2.599 11.989 -9.055 1.00 0.00 C ATOM 497 C GLU A 34 1.267 12.402 -8.427 1.00 0.00 C ATOM 498 O GLU A 34 0.562 11.588 -7.865 1.00 0.00 O ATOM 499 CB GLU A 34 2.369 11.047 -10.237 1.00 0.00 C ATOM 500 CG GLU A 34 1.742 11.825 -11.397 1.00 0.00 C ATOM 501 CD GLU A 34 2.273 11.282 -12.726 1.00 0.00 C ATOM 502 OE1 GLU A 34 3.011 10.312 -12.693 1.00 0.00 O ATOM 503 OE2 GLU A 34 1.933 11.847 -13.752 1.00 0.00 O ATOM 0 H GLU A 34 2.841 10.544 -7.503 1.00 0.00 H new ATOM 0 HA GLU A 34 3.111 12.900 -9.365 1.00 0.00 H new ATOM 0 HB2 GLU A 34 3.314 10.604 -10.551 1.00 0.00 H new ATOM 0 HB3 GLU A 34 1.715 10.227 -9.940 1.00 0.00 H new ATOM 0 HG2 GLU A 34 0.656 11.735 -11.364 1.00 0.00 H new ATOM 0 HG3 GLU A 34 1.977 12.885 -11.306 1.00 0.00 H new ATOM 510 N TRP A 35 0.915 13.657 -8.503 1.00 0.00 N ATOM 511 CA TRP A 35 -0.372 14.087 -7.889 1.00 0.00 C ATOM 512 C TRP A 35 -0.881 15.385 -8.518 1.00 0.00 C ATOM 513 O TRP A 35 -0.168 16.075 -9.218 1.00 0.00 O ATOM 514 CB TRP A 35 -0.049 14.284 -6.401 1.00 0.00 C ATOM 515 CG TRP A 35 0.537 15.641 -6.153 1.00 0.00 C ATOM 516 CD1 TRP A 35 -0.127 16.683 -5.601 1.00 0.00 C ATOM 517 CD2 TRP A 35 1.888 16.116 -6.424 1.00 0.00 C ATOM 518 NE1 TRP A 35 0.731 17.766 -5.514 1.00 0.00 N ATOM 519 CE2 TRP A 35 1.985 17.466 -6.009 1.00 0.00 C ATOM 520 CE3 TRP A 35 3.027 15.514 -6.983 1.00 0.00 C ATOM 521 CZ2 TRP A 35 3.172 18.190 -6.143 1.00 0.00 C ATOM 522 CZ3 TRP A 35 4.220 16.239 -7.119 1.00 0.00 C ATOM 523 CH2 TRP A 35 4.295 17.571 -6.700 1.00 0.00 C ATOM 0 H TRP A 35 1.455 14.394 -8.957 1.00 0.00 H new ATOM 0 HA TRP A 35 -1.163 13.353 -8.044 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -0.956 14.162 -5.809 1.00 0.00 H new ATOM 0 HB3 TRP A 35 0.651 13.516 -6.073 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -1.158 16.672 -5.281 1.00 0.00 H new ATOM 0 HE1 TRP A 35 0.469 18.674 -5.131 1.00 0.00 H new ATOM 0 HE3 TRP A 35 2.984 14.486 -7.310 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 3.222 19.219 -5.819 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 5.088 15.764 -7.551 1.00 0.00 H new ATOM 0 HH2 TRP A 35 5.219 18.120 -6.806 1.00 0.00 H new ATOM 534 N LEU A 36 -2.114 15.723 -8.257 1.00 0.00 N ATOM 535 CA LEU A 36 -2.682 16.976 -8.820 1.00 0.00 C ATOM 536 C LEU A 36 -2.436 18.124 -7.840 1.00 0.00 C ATOM 537 O LEU A 36 -2.265 17.913 -6.656 1.00 0.00 O ATOM 538 CB LEU A 36 -4.180 16.701 -8.970 1.00 0.00 C ATOM 539 CG LEU A 36 -4.934 18.024 -9.123 1.00 0.00 C ATOM 540 CD1 LEU A 36 -4.527 18.696 -10.435 1.00 0.00 C ATOM 541 CD2 LEU A 36 -6.441 17.753 -9.135 1.00 0.00 C ATOM 0 H LEU A 36 -2.753 15.182 -7.675 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.232 17.257 -9.772 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -4.358 16.067 -9.839 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.549 16.159 -8.099 1.00 0.00 H new ATOM 0 HG LEU A 36 -4.688 18.680 -8.288 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -5.064 19.638 -10.543 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.454 18.889 -10.427 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.772 18.041 -11.271 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -6.979 18.695 -9.244 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -6.686 17.096 -9.970 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -6.732 17.275 -8.200 1.00 0.00 H new ATOM 553 N PHE A 37 -2.408 19.334 -8.318 1.00 0.00 N ATOM 554 CA PHE A 37 -2.162 20.483 -7.404 1.00 0.00 C ATOM 555 C PHE A 37 -3.273 21.519 -7.563 1.00 0.00 C ATOM 556 O PHE A 37 -3.346 22.206 -8.557 1.00 0.00 O ATOM 557 CB PHE A 37 -0.817 21.051 -7.875 1.00 0.00 C ATOM 558 CG PHE A 37 -0.295 22.082 -6.896 1.00 0.00 C ATOM 559 CD1 PHE A 37 -1.027 22.411 -5.747 1.00 0.00 C ATOM 560 CD2 PHE A 37 0.932 22.713 -7.146 1.00 0.00 C ATOM 561 CE1 PHE A 37 -0.533 23.369 -4.851 1.00 0.00 C ATOM 562 CE2 PHE A 37 1.425 23.669 -6.251 1.00 0.00 C ATOM 563 CZ PHE A 37 0.692 23.997 -5.103 1.00 0.00 C ATOM 0 H PHE A 37 -2.544 19.578 -9.299 1.00 0.00 H new ATOM 0 HA PHE A 37 -2.146 20.199 -6.352 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -0.093 20.243 -7.980 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -0.933 21.504 -8.859 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -1.972 21.926 -5.552 1.00 0.00 H new ATOM 0 HD2 PHE A 37 1.498 22.461 -8.031 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -1.098 23.623 -3.966 1.00 0.00 H new ATOM 0 HE2 PHE A 37 2.370 24.154 -6.445 1.00 0.00 H new ATOM 0 HZ PHE A 37 1.072 24.735 -4.412 1.00 0.00 H new ATOM 573 N GLU A 38 -4.132 21.642 -6.585 1.00 0.00 N ATOM 574 CA GLU A 38 -5.237 22.640 -6.671 1.00 0.00 C ATOM 575 C GLU A 38 -4.754 23.981 -6.117 1.00 0.00 C ATOM 576 O GLU A 38 -4.011 24.029 -5.156 1.00 0.00 O ATOM 577 CB GLU A 38 -6.362 22.055 -5.806 1.00 0.00 C ATOM 578 CG GLU A 38 -7.250 23.179 -5.263 1.00 0.00 C ATOM 579 CD GLU A 38 -6.889 23.452 -3.801 1.00 0.00 C ATOM 580 OE1 GLU A 38 -6.265 22.597 -3.196 1.00 0.00 O ATOM 581 OE2 GLU A 38 -7.243 24.512 -3.313 1.00 0.00 O ATOM 0 H GLU A 38 -4.115 21.091 -5.727 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.573 22.820 -7.692 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.961 21.361 -6.396 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -5.937 21.486 -4.979 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -7.115 24.083 -5.857 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -8.300 22.898 -5.343 1.00 0.00 H new ATOM 588 N GLY A 39 -5.156 25.071 -6.709 1.00 0.00 N ATOM 589 CA GLY A 39 -4.691 26.387 -6.194 1.00 0.00 C ATOM 590 C GLY A 39 -3.161 26.381 -6.147 1.00 0.00 C ATOM 591 O GLY A 39 -2.569 26.768 -5.160 1.00 0.00 O ATOM 0 H GLY A 39 -5.778 25.108 -7.516 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -5.046 27.192 -6.837 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -5.099 26.570 -5.200 1.00 0.00 H new ATOM 595 N PRO A 40 -2.568 25.916 -7.218 1.00 0.00 N ATOM 596 CA PRO A 40 -1.084 25.826 -7.301 1.00 0.00 C ATOM 597 C PRO A 40 -0.421 27.207 -7.428 1.00 0.00 C ATOM 598 O PRO A 40 0.723 27.307 -7.827 1.00 0.00 O ATOM 599 CB PRO A 40 -0.849 25.012 -8.569 1.00 0.00 C ATOM 600 CG PRO A 40 -2.072 25.232 -9.400 1.00 0.00 C ATOM 601 CD PRO A 40 -3.215 25.432 -8.445 1.00 0.00 C ATOM 0 HA PRO A 40 -0.654 25.381 -6.403 1.00 0.00 H new ATOM 0 HB2 PRO A 40 0.048 25.344 -9.091 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -0.712 23.955 -8.340 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -1.950 26.102 -10.045 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -2.257 24.377 -10.050 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -3.935 26.155 -8.829 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -3.758 24.503 -8.271 1.00 0.00 H new ATOM 609 N GLY A 41 -1.106 28.269 -7.093 1.00 0.00 N ATOM 610 CA GLY A 41 -0.475 29.610 -7.202 1.00 0.00 C ATOM 611 C GLY A 41 0.940 29.547 -6.627 1.00 0.00 C ATOM 612 O GLY A 41 1.255 28.687 -5.831 1.00 0.00 O ATOM 0 H GLY A 41 -2.067 28.263 -6.752 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.443 29.927 -8.245 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.067 30.349 -6.662 1.00 0.00 H new ATOM 616 N THR A 42 1.791 30.444 -7.037 1.00 0.00 N ATOM 617 CA THR A 42 3.198 30.457 -6.534 1.00 0.00 C ATOM 618 C THR A 42 3.878 29.090 -6.720 1.00 0.00 C ATOM 619 O THR A 42 4.945 28.852 -6.189 1.00 0.00 O ATOM 620 CB THR A 42 3.110 30.820 -5.045 1.00 0.00 C ATOM 621 OG1 THR A 42 2.604 29.717 -4.308 1.00 0.00 O ATOM 622 CG2 THR A 42 2.192 32.033 -4.854 1.00 0.00 C ATOM 0 H THR A 42 1.571 31.180 -7.708 1.00 0.00 H new ATOM 0 HA THR A 42 3.802 31.174 -7.090 1.00 0.00 H new ATOM 0 HB THR A 42 4.108 31.067 -4.682 1.00 0.00 H new ATOM 0 HG1 THR A 42 2.317 29.014 -4.927 1.00 0.00 H new ATOM 0 HG21 THR A 42 2.136 32.283 -3.795 1.00 0.00 H new ATOM 0 HG22 THR A 42 2.592 32.883 -5.407 1.00 0.00 H new ATOM 0 HG23 THR A 42 1.195 31.796 -5.225 1.00 0.00 H new ATOM 630 N TYR A 43 3.292 28.194 -7.475 1.00 0.00 N ATOM 631 CA TYR A 43 3.947 26.869 -7.685 1.00 0.00 C ATOM 632 C TYR A 43 5.111 27.023 -8.667 1.00 0.00 C ATOM 633 O TYR A 43 4.974 27.630 -9.711 1.00 0.00 O ATOM 634 CB TYR A 43 2.868 25.964 -8.282 1.00 0.00 C ATOM 635 CG TYR A 43 3.516 24.718 -8.835 1.00 0.00 C ATOM 636 CD1 TYR A 43 4.478 24.038 -8.079 1.00 0.00 C ATOM 637 CD2 TYR A 43 3.159 24.244 -10.102 1.00 0.00 C ATOM 638 CE1 TYR A 43 5.083 22.883 -8.589 1.00 0.00 C ATOM 639 CE2 TYR A 43 3.763 23.089 -10.613 1.00 0.00 C ATOM 640 CZ TYR A 43 4.724 22.408 -9.857 1.00 0.00 C ATOM 641 OH TYR A 43 5.318 21.269 -10.361 1.00 0.00 O ATOM 0 H TYR A 43 2.398 28.321 -7.950 1.00 0.00 H new ATOM 0 HA TYR A 43 4.346 26.457 -6.758 1.00 0.00 H new ATOM 0 HB2 TYR A 43 2.135 25.700 -7.519 1.00 0.00 H new ATOM 0 HB3 TYR A 43 2.331 26.490 -9.071 1.00 0.00 H new ATOM 0 HD1 TYR A 43 4.754 24.405 -7.101 1.00 0.00 H new ATOM 0 HD2 TYR A 43 2.417 24.769 -10.686 1.00 0.00 H new ATOM 0 HE1 TYR A 43 5.826 22.359 -8.006 1.00 0.00 H new ATOM 0 HE2 TYR A 43 3.487 22.723 -11.591 1.00 0.00 H new ATOM 0 HH TYR A 43 6.123 21.515 -10.863 1.00 0.00 H new ATOM 651 N ILE A 44 6.254 26.483 -8.348 1.00 0.00 N ATOM 652 CA ILE A 44 7.416 26.610 -9.274 1.00 0.00 C ATOM 653 C ILE A 44 7.909 25.226 -9.709 1.00 0.00 C ATOM 654 O ILE A 44 8.058 24.336 -8.896 1.00 0.00 O ATOM 655 CB ILE A 44 8.488 27.334 -8.462 1.00 0.00 C ATOM 656 CG1 ILE A 44 7.905 28.621 -7.876 1.00 0.00 C ATOM 657 CG2 ILE A 44 9.670 27.679 -9.370 1.00 0.00 C ATOM 658 CD1 ILE A 44 8.967 29.319 -7.025 1.00 0.00 C ATOM 0 H ILE A 44 6.435 25.961 -7.490 1.00 0.00 H new ATOM 0 HA ILE A 44 7.160 27.150 -10.186 1.00 0.00 H new ATOM 0 HB ILE A 44 8.827 26.687 -7.653 1.00 0.00 H new ATOM 0 HG12 ILE A 44 7.574 29.281 -8.678 1.00 0.00 H new ATOM 0 HG13 ILE A 44 7.029 28.393 -7.269 1.00 0.00 H new ATOM 0 HG21 ILE A 44 10.435 28.196 -8.791 1.00 0.00 H new ATOM 0 HG22 ILE A 44 10.088 26.763 -9.787 1.00 0.00 H new ATOM 0 HG23 ILE A 44 9.330 28.325 -10.180 1.00 0.00 H new ATOM 0 HD11 ILE A 44 8.553 30.236 -6.607 1.00 0.00 H new ATOM 0 HD12 ILE A 44 9.276 28.658 -6.215 1.00 0.00 H new ATOM 0 HD13 ILE A 44 9.830 29.560 -7.646 1.00 0.00 H new ATOM 670 N PRO A 45 8.151 25.096 -10.986 1.00 0.00 N ATOM 671 CA PRO A 45 8.636 23.810 -11.543 1.00 0.00 C ATOM 672 C PRO A 45 10.100 23.584 -11.160 1.00 0.00 C ATOM 673 O PRO A 45 10.999 23.790 -11.951 1.00 0.00 O ATOM 674 CB PRO A 45 8.492 23.997 -13.052 1.00 0.00 C ATOM 675 CG PRO A 45 8.545 25.476 -13.266 1.00 0.00 C ATOM 676 CD PRO A 45 7.996 26.125 -12.021 1.00 0.00 C ATOM 0 HA PRO A 45 8.086 22.945 -11.171 1.00 0.00 H new ATOM 0 HB2 PRO A 45 9.294 23.491 -13.591 1.00 0.00 H new ATOM 0 HB3 PRO A 45 7.552 23.579 -13.413 1.00 0.00 H new ATOM 0 HG2 PRO A 45 9.569 25.802 -13.451 1.00 0.00 H new ATOM 0 HG3 PRO A 45 7.958 25.760 -14.139 1.00 0.00 H new ATOM 0 HD2 PRO A 45 8.546 27.032 -11.768 1.00 0.00 H new ATOM 0 HD3 PRO A 45 6.952 26.410 -12.147 1.00 0.00 H new ATOM 684 N ARG A 46 10.347 23.163 -9.950 1.00 0.00 N ATOM 685 CA ARG A 46 11.754 22.926 -9.517 1.00 0.00 C ATOM 686 C ARG A 46 12.155 21.472 -9.781 1.00 0.00 C ATOM 687 O ARG A 46 11.330 20.578 -9.770 1.00 0.00 O ATOM 688 CB ARG A 46 11.759 23.222 -8.018 1.00 0.00 C ATOM 689 CG ARG A 46 12.228 24.659 -7.783 1.00 0.00 C ATOM 690 CD ARG A 46 11.665 25.172 -6.457 1.00 0.00 C ATOM 691 NE ARG A 46 10.185 25.141 -6.628 1.00 0.00 N ATOM 692 CZ ARG A 46 9.408 25.461 -5.631 1.00 0.00 C ATOM 693 NH1 ARG A 46 9.868 26.200 -4.657 1.00 0.00 N ATOM 694 NH2 ARG A 46 8.171 25.047 -5.606 1.00 0.00 N ATOM 0 H ARG A 46 9.637 22.973 -9.243 1.00 0.00 H new ATOM 0 HA ARG A 46 12.464 23.551 -10.059 1.00 0.00 H new ATOM 0 HB2 ARG A 46 10.760 23.082 -7.606 1.00 0.00 H new ATOM 0 HB3 ARG A 46 12.418 22.524 -7.501 1.00 0.00 H new ATOM 0 HG2 ARG A 46 13.317 24.699 -7.767 1.00 0.00 H new ATOM 0 HG3 ARG A 46 11.898 25.298 -8.602 1.00 0.00 H new ATOM 0 HD2 ARG A 46 11.979 24.542 -5.625 1.00 0.00 H new ATOM 0 HD3 ARG A 46 12.016 26.181 -6.243 1.00 0.00 H new ATOM 0 HE ARG A 46 9.780 24.870 -7.524 1.00 0.00 H new ATOM 0 HH11 ARG A 46 10.834 26.526 -4.677 1.00 0.00 H new ATOM 0 HH12 ARG A 46 9.261 26.451 -3.877 1.00 0.00 H new ATOM 0 HH21 ARG A 46 7.810 24.472 -6.367 1.00 0.00 H new ATOM 0 HH22 ARG A 46 7.565 25.298 -4.825 1.00 0.00 H new ATOM 708 N LYS A 47 13.417 21.227 -10.018 1.00 0.00 N ATOM 709 CA LYS A 47 13.872 19.830 -10.281 1.00 0.00 C ATOM 710 C LYS A 47 13.187 18.859 -9.318 1.00 0.00 C ATOM 711 O LYS A 47 12.928 17.720 -9.651 1.00 0.00 O ATOM 712 CB LYS A 47 15.380 19.851 -10.037 1.00 0.00 C ATOM 713 CG LYS A 47 16.080 20.466 -11.248 1.00 0.00 C ATOM 714 CD LYS A 47 17.588 20.233 -11.140 1.00 0.00 C ATOM 715 CE LYS A 47 18.331 21.456 -11.681 1.00 0.00 C ATOM 716 NZ LYS A 47 19.400 20.902 -12.557 1.00 0.00 N ATOM 0 H LYS A 47 14.152 21.934 -10.041 1.00 0.00 H new ATOM 0 HA LYS A 47 13.627 19.501 -11.291 1.00 0.00 H new ATOM 0 HB2 LYS A 47 15.607 20.428 -9.140 1.00 0.00 H new ATOM 0 HB3 LYS A 47 15.746 18.839 -9.866 1.00 0.00 H new ATOM 0 HG2 LYS A 47 15.698 20.021 -12.167 1.00 0.00 H new ATOM 0 HG3 LYS A 47 15.869 21.534 -11.299 1.00 0.00 H new ATOM 0 HD2 LYS A 47 17.866 20.055 -10.101 1.00 0.00 H new ATOM 0 HD3 LYS A 47 17.871 19.343 -11.703 1.00 0.00 H new ATOM 0 HE2 LYS A 47 17.661 22.109 -12.241 1.00 0.00 H new ATOM 0 HE3 LYS A 47 18.753 22.051 -10.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 19.953 21.682 -12.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 20.026 20.290 -11.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 18.968 20.346 -13.323 1.00 0.00 H new ATOM 730 N GLU A 48 12.891 19.303 -8.127 1.00 0.00 N ATOM 731 CA GLU A 48 12.219 18.405 -7.146 1.00 0.00 C ATOM 732 C GLU A 48 11.114 17.611 -7.844 1.00 0.00 C ATOM 733 O GLU A 48 11.051 16.402 -7.752 1.00 0.00 O ATOM 734 CB GLU A 48 11.633 19.343 -6.090 1.00 0.00 C ATOM 735 CG GLU A 48 12.519 19.326 -4.842 1.00 0.00 C ATOM 736 CD GLU A 48 11.639 19.285 -3.591 1.00 0.00 C ATOM 737 OE1 GLU A 48 10.465 18.984 -3.726 1.00 0.00 O ATOM 738 OE2 GLU A 48 12.156 19.555 -2.519 1.00 0.00 O ATOM 0 H GLU A 48 13.085 20.247 -7.792 1.00 0.00 H new ATOM 0 HA GLU A 48 12.901 17.679 -6.704 1.00 0.00 H new ATOM 0 HB2 GLU A 48 11.565 20.356 -6.486 1.00 0.00 H new ATOM 0 HB3 GLU A 48 10.620 19.032 -5.834 1.00 0.00 H new ATOM 0 HG2 GLU A 48 13.179 18.459 -4.864 1.00 0.00 H new ATOM 0 HG3 GLU A 48 13.155 20.211 -4.823 1.00 0.00 H new ATOM 745 N VAL A 49 10.250 18.285 -8.555 1.00 0.00 N ATOM 746 CA VAL A 49 9.151 17.578 -9.277 1.00 0.00 C ATOM 747 C VAL A 49 9.038 18.134 -10.703 1.00 0.00 C ATOM 748 O VAL A 49 9.696 19.093 -11.055 1.00 0.00 O ATOM 749 CB VAL A 49 7.861 17.848 -8.472 1.00 0.00 C ATOM 750 CG1 VAL A 49 8.185 17.986 -6.980 1.00 0.00 C ATOM 751 CG2 VAL A 49 7.185 19.135 -8.961 1.00 0.00 C ATOM 0 H VAL A 49 10.258 19.299 -8.668 1.00 0.00 H new ATOM 0 HA VAL A 49 9.334 16.507 -9.357 1.00 0.00 H new ATOM 0 HB VAL A 49 7.185 17.006 -8.621 1.00 0.00 H new ATOM 0 HG11 VAL A 49 7.267 18.176 -6.424 1.00 0.00 H new ATOM 0 HG12 VAL A 49 8.643 17.064 -6.620 1.00 0.00 H new ATOM 0 HG13 VAL A 49 8.876 18.816 -6.833 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.277 19.311 -8.384 1.00 0.00 H new ATOM 0 HG22 VAL A 49 7.866 19.976 -8.831 1.00 0.00 H new ATOM 0 HG23 VAL A 49 6.930 19.034 -10.016 1.00 0.00 H new ATOM 761 N GLU A 50 8.211 17.547 -11.520 1.00 0.00 N ATOM 762 CA GLU A 50 8.064 18.058 -12.913 1.00 0.00 C ATOM 763 C GLU A 50 6.587 18.245 -13.259 1.00 0.00 C ATOM 764 O GLU A 50 5.806 17.317 -13.198 1.00 0.00 O ATOM 765 CB GLU A 50 8.680 16.976 -13.801 1.00 0.00 C ATOM 766 CG GLU A 50 9.730 17.606 -14.719 1.00 0.00 C ATOM 767 CD GLU A 50 9.409 17.263 -16.175 1.00 0.00 C ATOM 768 OE1 GLU A 50 8.286 16.866 -16.437 1.00 0.00 O ATOM 769 OE2 GLU A 50 10.293 17.402 -17.004 1.00 0.00 O ATOM 0 H GLU A 50 7.633 16.740 -11.287 1.00 0.00 H new ATOM 0 HA GLU A 50 8.549 19.025 -13.046 1.00 0.00 H new ATOM 0 HB2 GLU A 50 9.138 16.202 -13.185 1.00 0.00 H new ATOM 0 HB3 GLU A 50 7.904 16.493 -14.395 1.00 0.00 H new ATOM 0 HG2 GLU A 50 9.744 18.688 -14.584 1.00 0.00 H new ATOM 0 HG3 GLU A 50 10.723 17.239 -14.459 1.00 0.00 H new ATOM 776 N VAL A 51 6.196 19.432 -13.636 1.00 0.00 N ATOM 777 CA VAL A 51 4.767 19.649 -13.996 1.00 0.00 C ATOM 778 C VAL A 51 4.372 18.632 -15.066 1.00 0.00 C ATOM 779 O VAL A 51 4.989 18.544 -16.110 1.00 0.00 O ATOM 780 CB VAL A 51 4.699 21.073 -14.545 1.00 0.00 C ATOM 781 CG1 VAL A 51 5.149 22.057 -13.466 1.00 0.00 C ATOM 782 CG2 VAL A 51 5.617 21.197 -15.763 1.00 0.00 C ATOM 0 H VAL A 51 6.797 20.253 -13.710 1.00 0.00 H new ATOM 0 HA VAL A 51 4.089 19.524 -13.151 1.00 0.00 H new ATOM 0 HB VAL A 51 3.674 21.299 -14.839 1.00 0.00 H new ATOM 0 HG11 VAL A 51 5.101 23.073 -13.857 1.00 0.00 H new ATOM 0 HG12 VAL A 51 4.494 21.971 -12.599 1.00 0.00 H new ATOM 0 HG13 VAL A 51 6.174 21.830 -13.171 1.00 0.00 H new ATOM 0 HG21 VAL A 51 5.568 22.213 -16.154 1.00 0.00 H new ATOM 0 HG22 VAL A 51 6.642 20.970 -15.471 1.00 0.00 H new ATOM 0 HG23 VAL A 51 5.296 20.496 -16.533 1.00 0.00 H new ATOM 792 N VAL A 52 3.362 17.851 -14.813 1.00 0.00 N ATOM 793 CA VAL A 52 2.949 16.826 -15.811 1.00 0.00 C ATOM 794 C VAL A 52 1.754 17.325 -16.628 1.00 0.00 C ATOM 795 O VAL A 52 1.791 17.350 -17.842 1.00 0.00 O ATOM 796 CB VAL A 52 2.567 15.603 -14.975 1.00 0.00 C ATOM 797 CG1 VAL A 52 2.166 14.457 -15.900 1.00 0.00 C ATOM 798 CG2 VAL A 52 3.767 15.168 -14.130 1.00 0.00 C ATOM 0 H VAL A 52 2.804 17.877 -13.959 1.00 0.00 H new ATOM 0 HA VAL A 52 3.739 16.601 -16.528 1.00 0.00 H new ATOM 0 HB VAL A 52 1.731 15.858 -14.324 1.00 0.00 H new ATOM 0 HG11 VAL A 52 1.894 13.586 -15.304 1.00 0.00 H new ATOM 0 HG12 VAL A 52 1.314 14.761 -16.508 1.00 0.00 H new ATOM 0 HG13 VAL A 52 3.003 14.204 -16.550 1.00 0.00 H new ATOM 0 HG21 VAL A 52 3.496 14.297 -13.534 1.00 0.00 H new ATOM 0 HG22 VAL A 52 4.600 14.914 -14.785 1.00 0.00 H new ATOM 0 HG23 VAL A 52 4.061 15.983 -13.468 1.00 0.00 H new ATOM 808 N GLU A 53 0.697 17.720 -15.976 1.00 0.00 N ATOM 809 CA GLU A 53 -0.493 18.213 -16.726 1.00 0.00 C ATOM 810 C GLU A 53 -1.084 19.442 -16.031 1.00 0.00 C ATOM 811 O GLU A 53 -0.659 19.829 -14.961 1.00 0.00 O ATOM 812 CB GLU A 53 -1.497 17.057 -16.699 1.00 0.00 C ATOM 813 CG GLU A 53 -0.777 15.728 -16.946 1.00 0.00 C ATOM 814 CD GLU A 53 -0.314 15.658 -18.402 1.00 0.00 C ATOM 815 OE1 GLU A 53 -0.734 16.499 -19.178 1.00 0.00 O ATOM 816 OE2 GLU A 53 0.454 14.762 -18.716 1.00 0.00 O ATOM 0 H GLU A 53 0.605 17.723 -14.960 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.239 18.508 -17.744 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.006 17.030 -15.736 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.262 17.212 -17.460 1.00 0.00 H new ATOM 0 HG2 GLU A 53 0.079 15.637 -16.277 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -1.444 14.895 -16.726 1.00 0.00 H new ATOM 823 N ILE A 54 -2.067 20.050 -16.630 1.00 0.00 N ATOM 824 CA ILE A 54 -2.702 21.248 -16.005 1.00 0.00 C ATOM 825 C ILE A 54 -4.224 21.093 -16.095 1.00 0.00 C ATOM 826 O ILE A 54 -4.741 20.548 -17.050 1.00 0.00 O ATOM 827 CB ILE A 54 -2.220 22.470 -16.812 1.00 0.00 C ATOM 828 CG1 ILE A 54 -0.903 22.155 -17.540 1.00 0.00 C ATOM 829 CG2 ILE A 54 -1.985 23.645 -15.858 1.00 0.00 C ATOM 830 CD1 ILE A 54 0.202 21.886 -16.516 1.00 0.00 C ATOM 0 H ILE A 54 -2.461 19.770 -17.528 1.00 0.00 H new ATOM 0 HA ILE A 54 -2.434 21.364 -14.955 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.983 22.722 -17.548 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -1.032 21.287 -18.186 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -0.622 22.990 -18.181 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -1.644 24.511 -16.425 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -2.916 23.890 -15.346 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.228 23.371 -15.123 1.00 0.00 H new ATOM 0 HD11 ILE A 54 1.134 21.663 -17.036 1.00 0.00 H new ATOM 0 HD12 ILE A 54 0.339 22.767 -15.888 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -0.078 21.036 -15.893 1.00 0.00 H new ATOM 842 N ILE A 55 -4.946 21.540 -15.106 1.00 0.00 N ATOM 843 CA ILE A 55 -6.431 21.379 -15.149 1.00 0.00 C ATOM 844 C ILE A 55 -7.140 22.679 -14.750 1.00 0.00 C ATOM 845 O ILE A 55 -6.698 23.406 -13.882 1.00 0.00 O ATOM 846 CB ILE A 55 -6.726 20.239 -14.151 1.00 0.00 C ATOM 847 CG1 ILE A 55 -7.171 18.998 -14.923 1.00 0.00 C ATOM 848 CG2 ILE A 55 -7.835 20.631 -13.158 1.00 0.00 C ATOM 849 CD1 ILE A 55 -7.538 17.898 -13.929 1.00 0.00 C ATOM 0 H ILE A 55 -4.579 22.006 -14.276 1.00 0.00 H new ATOM 0 HA ILE A 55 -6.795 21.147 -16.150 1.00 0.00 H new ATOM 0 HB ILE A 55 -5.814 20.038 -13.588 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -8.027 19.235 -15.555 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -6.372 18.658 -15.582 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -8.016 19.805 -12.470 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -7.524 21.511 -12.594 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -8.751 20.855 -13.705 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -7.857 17.008 -14.472 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -6.670 17.657 -13.316 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -8.350 18.242 -13.289 1.00 0.00 H new ATOM 861 N GLN A 56 -8.257 22.950 -15.368 1.00 0.00 N ATOM 862 CA GLN A 56 -9.028 24.175 -15.027 1.00 0.00 C ATOM 863 C GLN A 56 -10.417 23.776 -14.523 1.00 0.00 C ATOM 864 O GLN A 56 -10.820 22.636 -14.635 1.00 0.00 O ATOM 865 CB GLN A 56 -9.132 24.962 -16.333 1.00 0.00 C ATOM 866 CG GLN A 56 -7.747 25.067 -16.973 1.00 0.00 C ATOM 867 CD GLN A 56 -6.866 25.994 -16.133 1.00 0.00 C ATOM 868 OE1 GLN A 56 -7.178 27.154 -15.958 1.00 0.00 O ATOM 869 NE2 GLN A 56 -5.769 25.527 -15.601 1.00 0.00 N ATOM 0 H GLN A 56 -8.670 22.370 -16.099 1.00 0.00 H new ATOM 0 HA GLN A 56 -8.554 24.766 -14.244 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -9.823 24.467 -17.015 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -9.532 25.957 -16.140 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -7.291 24.079 -17.043 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -7.832 25.451 -17.989 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -5.506 24.552 -15.747 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -5.175 26.137 -15.039 1.00 0.00 H new ATOM 878 N ALA A 57 -11.149 24.698 -13.964 1.00 0.00 N ATOM 879 CA ALA A 57 -12.508 24.355 -13.451 1.00 0.00 C ATOM 880 C ALA A 57 -13.558 24.547 -14.549 1.00 0.00 C ATOM 881 O ALA A 57 -13.586 25.558 -15.222 1.00 0.00 O ATOM 882 CB ALA A 57 -12.748 25.334 -12.301 1.00 0.00 C ATOM 0 H ALA A 57 -10.868 25.671 -13.840 1.00 0.00 H new ATOM 0 HA ALA A 57 -12.579 23.316 -13.129 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -13.730 25.150 -11.865 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -11.981 25.195 -11.539 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -12.704 26.356 -12.678 1.00 0.00 H new ATOM 888 N THR A 58 -14.426 23.584 -14.737 1.00 0.00 N ATOM 889 CA THR A 58 -15.471 23.725 -15.793 1.00 0.00 C ATOM 890 C THR A 58 -16.438 22.531 -15.784 1.00 0.00 C ATOM 891 O THR A 58 -16.417 21.713 -16.682 1.00 0.00 O ATOM 892 CB THR A 58 -14.687 23.753 -17.104 1.00 0.00 C ATOM 893 OG1 THR A 58 -15.583 23.597 -18.196 1.00 0.00 O ATOM 894 CG2 THR A 58 -13.669 22.612 -17.111 1.00 0.00 C ATOM 0 H THR A 58 -14.455 22.712 -14.208 1.00 0.00 H new ATOM 0 HA THR A 58 -16.081 24.616 -15.642 1.00 0.00 H new ATOM 0 HB THR A 58 -14.166 24.706 -17.197 1.00 0.00 H new ATOM 0 HG1 THR A 58 -15.991 22.707 -18.160 1.00 0.00 H new ATOM 0 HG21 THR A 58 -13.109 22.630 -18.046 1.00 0.00 H new ATOM 0 HG22 THR A 58 -12.982 22.732 -16.273 1.00 0.00 H new ATOM 0 HG23 THR A 58 -14.190 21.659 -17.019 1.00 0.00 H new ATOM 902 N ILE A 59 -17.297 22.426 -14.800 1.00 0.00 N ATOM 903 CA ILE A 59 -18.263 21.284 -14.784 1.00 0.00 C ATOM 904 C ILE A 59 -19.240 21.380 -13.597 1.00 0.00 C ATOM 905 O ILE A 59 -20.438 21.293 -13.781 1.00 0.00 O ATOM 906 CB ILE A 59 -17.399 20.021 -14.701 1.00 0.00 C ATOM 907 CG1 ILE A 59 -18.291 18.776 -14.792 1.00 0.00 C ATOM 908 CG2 ILE A 59 -16.627 20.003 -13.388 1.00 0.00 C ATOM 909 CD1 ILE A 59 -19.069 18.582 -13.487 1.00 0.00 C ATOM 0 H ILE A 59 -17.371 23.074 -14.015 1.00 0.00 H new ATOM 0 HA ILE A 59 -18.892 21.282 -15.674 1.00 0.00 H new ATOM 0 HB ILE A 59 -16.692 20.020 -15.530 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -18.986 18.878 -15.626 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -17.680 17.896 -14.993 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -16.016 19.102 -13.338 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -15.984 20.881 -13.332 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -17.328 20.013 -12.554 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -19.697 17.695 -13.566 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -18.369 18.458 -12.661 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -19.695 19.455 -13.304 1.00 0.00 H new ATOM 921 N ILE A 60 -18.769 21.550 -12.381 1.00 0.00 N ATOM 922 CA ILE A 60 -19.732 21.635 -11.237 1.00 0.00 C ATOM 923 C ILE A 60 -19.810 23.069 -10.696 1.00 0.00 C ATOM 924 O ILE A 60 -19.340 24.007 -11.309 1.00 0.00 O ATOM 925 CB ILE A 60 -19.204 20.637 -10.181 1.00 0.00 C ATOM 926 CG1 ILE A 60 -20.355 19.736 -9.724 1.00 0.00 C ATOM 927 CG2 ILE A 60 -18.624 21.361 -8.954 1.00 0.00 C ATOM 928 CD1 ILE A 60 -21.041 19.117 -10.944 1.00 0.00 C ATOM 0 H ILE A 60 -17.782 21.632 -12.136 1.00 0.00 H new ATOM 0 HA ILE A 60 -20.750 21.382 -11.533 1.00 0.00 H new ATOM 0 HB ILE A 60 -18.408 20.050 -10.640 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -19.977 18.950 -9.070 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -21.075 20.315 -9.145 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -18.263 20.626 -8.235 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -17.797 22.000 -9.265 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -19.400 21.971 -8.491 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -21.859 18.477 -10.615 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -21.434 19.909 -11.582 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -20.319 18.524 -11.505 1.00 0.00 H new ATOM 940 N ARG A 61 -20.411 23.237 -9.547 1.00 0.00 N ATOM 941 CA ARG A 61 -20.538 24.595 -8.953 1.00 0.00 C ATOM 942 C ARG A 61 -19.919 24.617 -7.550 1.00 0.00 C ATOM 943 O ARG A 61 -18.961 23.923 -7.275 1.00 0.00 O ATOM 944 CB ARG A 61 -22.047 24.838 -8.884 1.00 0.00 C ATOM 945 CG ARG A 61 -22.392 26.143 -9.603 1.00 0.00 C ATOM 946 CD ARG A 61 -23.751 25.999 -10.291 1.00 0.00 C ATOM 947 NE ARG A 61 -24.344 27.363 -10.257 1.00 0.00 N ATOM 948 CZ ARG A 61 -25.054 27.739 -9.230 1.00 0.00 C ATOM 949 NH1 ARG A 61 -26.045 26.997 -8.814 1.00 0.00 N ATOM 950 NH2 ARG A 61 -24.774 28.857 -8.618 1.00 0.00 N ATOM 0 H ARG A 61 -20.821 22.485 -8.993 1.00 0.00 H new ATOM 0 HA ARG A 61 -20.023 25.361 -9.533 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -22.581 24.006 -9.344 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -22.370 24.888 -7.844 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -22.418 26.968 -8.891 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -21.623 26.381 -10.338 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -23.640 25.642 -11.315 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -24.383 25.280 -9.770 1.00 0.00 H new ATOM 0 HE ARG A 61 -24.195 28.004 -11.037 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -26.264 26.123 -9.292 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -26.600 27.291 -8.011 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -24.000 29.436 -8.943 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -25.329 29.152 -7.815 1.00 0.00 H new ATOM 964 N GLN A 62 -20.454 25.414 -6.664 1.00 0.00 N ATOM 965 CA GLN A 62 -19.893 25.488 -5.282 1.00 0.00 C ATOM 966 C GLN A 62 -20.562 24.459 -4.364 1.00 0.00 C ATOM 967 O GLN A 62 -19.957 23.487 -3.958 1.00 0.00 O ATOM 968 CB GLN A 62 -20.226 26.902 -4.810 1.00 0.00 C ATOM 969 CG GLN A 62 -19.826 27.057 -3.341 1.00 0.00 C ATOM 970 CD GLN A 62 -20.421 28.353 -2.782 1.00 0.00 C ATOM 971 OE1 GLN A 62 -19.698 29.241 -2.378 1.00 0.00 O ATOM 972 NE2 GLN A 62 -21.718 28.497 -2.739 1.00 0.00 N ATOM 0 H GLN A 62 -21.257 26.019 -6.837 1.00 0.00 H new ATOM 0 HA GLN A 62 -18.824 25.275 -5.264 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -19.698 27.634 -5.421 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -21.292 27.095 -4.930 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -20.182 26.203 -2.764 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -18.740 27.074 -3.249 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -22.325 27.751 -3.078 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -22.124 29.355 -2.366 1.00 0.00 H new ATOM 981 N ASN A 63 -21.801 24.691 -4.023 1.00 0.00 N ATOM 982 CA ASN A 63 -22.539 23.762 -3.113 1.00 0.00 C ATOM 983 C ASN A 63 -22.116 22.302 -3.327 1.00 0.00 C ATOM 984 O ASN A 63 -21.852 21.582 -2.386 1.00 0.00 O ATOM 985 CB ASN A 63 -24.014 23.949 -3.479 1.00 0.00 C ATOM 986 CG ASN A 63 -24.176 23.911 -5.000 1.00 0.00 C ATOM 987 OD1 ASN A 63 -23.549 24.672 -5.711 1.00 0.00 O ATOM 988 ND2 ASN A 63 -24.999 23.049 -5.534 1.00 0.00 N ATOM 0 H ASN A 63 -22.342 25.495 -4.340 1.00 0.00 H new ATOM 0 HA ASN A 63 -22.333 23.982 -2.066 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -24.615 23.164 -3.020 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -24.378 24.899 -3.088 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -25.115 23.015 -6.547 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -25.526 22.410 -4.938 1.00 0.00 H new ATOM 995 N GLN A 64 -22.060 21.855 -4.549 1.00 0.00 N ATOM 996 CA GLN A 64 -21.667 20.437 -4.804 1.00 0.00 C ATOM 997 C GLN A 64 -20.299 20.127 -4.182 1.00 0.00 C ATOM 998 O GLN A 64 -19.328 20.820 -4.411 1.00 0.00 O ATOM 999 CB GLN A 64 -21.604 20.316 -6.326 1.00 0.00 C ATOM 1000 CG GLN A 64 -21.523 18.840 -6.722 1.00 0.00 C ATOM 1001 CD GLN A 64 -22.844 18.145 -6.385 1.00 0.00 C ATOM 1002 OE1 GLN A 64 -23.896 18.749 -6.450 1.00 0.00 O ATOM 1003 NE2 GLN A 64 -22.834 16.890 -6.026 1.00 0.00 N ATOM 0 H GLN A 64 -22.268 22.406 -5.382 1.00 0.00 H new ATOM 0 HA GLN A 64 -22.372 19.733 -4.362 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -22.485 20.775 -6.774 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -20.736 20.853 -6.708 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -21.315 18.750 -7.788 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -20.701 18.356 -6.195 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -21.951 16.382 -5.971 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -23.709 16.417 -5.800 1.00 0.00 H new ATOM 1012 N ALA A 65 -20.218 19.078 -3.406 1.00 0.00 N ATOM 1013 CA ALA A 65 -18.919 18.701 -2.776 1.00 0.00 C ATOM 1014 C ALA A 65 -18.376 17.438 -3.452 1.00 0.00 C ATOM 1015 O ALA A 65 -19.130 16.606 -3.926 1.00 0.00 O ATOM 1016 CB ALA A 65 -19.251 18.425 -1.309 1.00 0.00 C ATOM 0 H ALA A 65 -21.000 18.463 -3.181 1.00 0.00 H new ATOM 0 HA ALA A 65 -18.161 19.478 -2.875 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -18.343 18.141 -0.778 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -19.670 19.323 -0.856 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -19.977 17.614 -1.247 1.00 0.00 H new ATOM 1022 N LEU A 66 -17.079 17.289 -3.519 1.00 0.00 N ATOM 1023 CA LEU A 66 -16.509 16.083 -4.187 1.00 0.00 C ATOM 1024 C LEU A 66 -15.529 15.348 -3.268 1.00 0.00 C ATOM 1025 O LEU A 66 -14.468 15.845 -2.953 1.00 0.00 O ATOM 1026 CB LEU A 66 -15.774 16.627 -5.411 1.00 0.00 C ATOM 1027 CG LEU A 66 -16.718 17.509 -6.227 1.00 0.00 C ATOM 1028 CD1 LEU A 66 -15.989 18.789 -6.645 1.00 0.00 C ATOM 1029 CD2 LEU A 66 -17.169 16.750 -7.476 1.00 0.00 C ATOM 0 H LEU A 66 -16.395 17.945 -3.143 1.00 0.00 H new ATOM 0 HA LEU A 66 -17.286 15.364 -4.446 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -14.902 17.202 -5.098 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -15.409 15.803 -6.024 1.00 0.00 H new ATOM 0 HG LEU A 66 -17.587 17.767 -5.622 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -16.663 19.418 -7.227 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -15.665 19.330 -5.756 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -15.120 18.532 -7.250 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -17.843 17.377 -8.060 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -16.299 16.493 -8.080 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -17.688 15.838 -7.180 1.00 0.00 H new ATOM 1041 N ARG A 67 -15.865 14.155 -2.859 1.00 0.00 N ATOM 1042 CA ARG A 67 -14.940 13.375 -1.986 1.00 0.00 C ATOM 1043 C ARG A 67 -14.185 12.356 -2.843 1.00 0.00 C ATOM 1044 O ARG A 67 -14.783 11.538 -3.515 1.00 0.00 O ATOM 1045 CB ARG A 67 -15.840 12.671 -0.971 1.00 0.00 C ATOM 1046 CG ARG A 67 -15.198 12.740 0.416 1.00 0.00 C ATOM 1047 CD ARG A 67 -15.577 11.495 1.221 1.00 0.00 C ATOM 1048 NE ARG A 67 -16.904 11.813 1.820 1.00 0.00 N ATOM 1049 CZ ARG A 67 -16.979 12.256 3.045 1.00 0.00 C ATOM 1050 NH1 ARG A 67 -16.498 11.546 4.028 1.00 0.00 N ATOM 1051 NH2 ARG A 67 -17.535 13.412 3.287 1.00 0.00 N ATOM 0 H ARG A 67 -16.740 13.686 -3.091 1.00 0.00 H new ATOM 0 HA ARG A 67 -14.199 14.000 -1.488 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -16.823 13.142 -0.952 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -15.991 11.631 -1.262 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -14.114 12.809 0.323 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -15.531 13.637 0.937 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -15.633 10.614 0.582 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -14.836 11.283 1.992 1.00 0.00 H new ATOM 0 HE ARG A 67 -17.754 11.684 1.272 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -16.062 10.643 3.840 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -16.557 11.894 4.985 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -17.910 13.968 2.519 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -17.594 13.759 4.244 1.00 0.00 H new ATOM 1065 N LEU A 68 -12.881 12.409 -2.848 1.00 0.00 N ATOM 1066 CA LEU A 68 -12.107 11.450 -3.693 1.00 0.00 C ATOM 1067 C LEU A 68 -11.186 10.572 -2.837 1.00 0.00 C ATOM 1068 O LEU A 68 -10.648 11.004 -1.835 1.00 0.00 O ATOM 1069 CB LEU A 68 -11.287 12.339 -4.632 1.00 0.00 C ATOM 1070 CG LEU A 68 -12.175 13.454 -5.191 1.00 0.00 C ATOM 1071 CD1 LEU A 68 -11.354 14.351 -6.121 1.00 0.00 C ATOM 1072 CD2 LEU A 68 -13.333 12.836 -5.977 1.00 0.00 C ATOM 0 H LEU A 68 -12.320 13.068 -2.309 1.00 0.00 H new ATOM 0 HA LEU A 68 -12.760 10.764 -4.232 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -10.441 12.769 -4.095 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -10.878 11.743 -5.448 1.00 0.00 H new ATOM 0 HG LEU A 68 -12.567 14.050 -4.367 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -11.989 15.143 -6.517 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -10.528 14.793 -5.564 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -10.960 13.757 -6.945 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -13.966 13.629 -6.376 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -12.937 12.240 -6.799 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -13.922 12.199 -5.317 1.00 0.00 H new ATOM 1084 N ARG A 69 -11.000 9.339 -3.237 1.00 0.00 N ATOM 1085 CA ARG A 69 -10.114 8.420 -2.462 1.00 0.00 C ATOM 1086 C ARG A 69 -8.969 7.918 -3.352 1.00 0.00 C ATOM 1087 O ARG A 69 -9.094 7.839 -4.558 1.00 0.00 O ATOM 1088 CB ARG A 69 -11.016 7.259 -2.040 1.00 0.00 C ATOM 1089 CG ARG A 69 -10.259 6.349 -1.070 1.00 0.00 C ATOM 1090 CD ARG A 69 -11.222 5.813 -0.008 1.00 0.00 C ATOM 1091 NE ARG A 69 -11.654 4.481 -0.518 1.00 0.00 N ATOM 1092 CZ ARG A 69 -11.316 3.396 0.123 1.00 0.00 C ATOM 1093 NH1 ARG A 69 -10.071 3.203 0.467 1.00 0.00 N ATOM 1094 NH2 ARG A 69 -12.222 2.503 0.422 1.00 0.00 N ATOM 0 H ARG A 69 -11.425 8.929 -4.069 1.00 0.00 H new ATOM 0 HA ARG A 69 -9.658 8.912 -1.603 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -11.920 7.641 -1.566 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -11.331 6.692 -2.916 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -9.804 5.521 -1.613 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -9.449 6.902 -0.594 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -10.731 5.725 0.961 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -12.074 6.480 0.125 1.00 0.00 H new ATOM 0 HE ARG A 69 -12.214 4.418 -1.368 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -9.364 3.900 0.235 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -9.806 2.355 0.968 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -13.195 2.654 0.154 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -11.957 1.655 0.923 1.00 0.00 H new ATOM 1108 N ALA A 70 -7.851 7.585 -2.764 1.00 0.00 N ATOM 1109 CA ALA A 70 -6.695 7.097 -3.572 1.00 0.00 C ATOM 1110 C ALA A 70 -6.963 5.690 -4.113 1.00 0.00 C ATOM 1111 O ALA A 70 -7.795 4.964 -3.605 1.00 0.00 O ATOM 1112 CB ALA A 70 -5.515 7.070 -2.601 1.00 0.00 C ATOM 0 H ALA A 70 -7.688 7.630 -1.758 1.00 0.00 H new ATOM 0 HA ALA A 70 -6.509 7.736 -4.435 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -4.623 6.721 -3.122 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -5.339 8.074 -2.214 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -5.740 6.396 -1.774 1.00 0.00 H new ATOM 1118 N ARG A 71 -6.254 5.301 -5.136 1.00 0.00 N ATOM 1119 CA ARG A 71 -6.449 3.939 -5.713 1.00 0.00 C ATOM 1120 C ARG A 71 -5.090 3.258 -5.908 1.00 0.00 C ATOM 1121 O ARG A 71 -4.958 2.059 -5.764 1.00 0.00 O ATOM 1122 CB ARG A 71 -7.131 4.173 -7.061 1.00 0.00 C ATOM 1123 CG ARG A 71 -7.375 2.828 -7.749 1.00 0.00 C ATOM 1124 CD ARG A 71 -8.346 1.992 -6.913 1.00 0.00 C ATOM 1125 NE ARG A 71 -7.479 1.054 -6.146 1.00 0.00 N ATOM 1126 CZ ARG A 71 -7.932 -0.119 -5.798 1.00 0.00 C ATOM 1127 NH1 ARG A 71 -9.011 -0.214 -5.070 1.00 0.00 N ATOM 1128 NH2 ARG A 71 -7.304 -1.199 -6.176 1.00 0.00 N ATOM 0 H ARG A 71 -5.545 5.869 -5.600 1.00 0.00 H new ATOM 0 HA ARG A 71 -7.043 3.293 -5.066 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -8.076 4.697 -6.917 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -6.508 4.808 -7.691 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -7.783 2.987 -8.747 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -6.432 2.295 -7.871 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -8.936 2.621 -6.246 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -9.049 1.452 -7.547 1.00 0.00 H new ATOM 0 HE ARG A 71 -6.530 1.329 -5.893 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -9.501 0.629 -4.772 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -9.364 -1.132 -4.799 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -6.459 -1.126 -6.743 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -7.658 -2.116 -5.904 1.00 0.00 H new ATOM 1142 N LYS A 72 -4.079 4.016 -6.234 1.00 0.00 N ATOM 1143 CA LYS A 72 -2.729 3.420 -6.438 1.00 0.00 C ATOM 1144 C LYS A 72 -1.740 3.999 -5.420 1.00 0.00 C ATOM 1145 O LYS A 72 -1.334 5.140 -5.517 1.00 0.00 O ATOM 1146 CB LYS A 72 -2.343 3.813 -7.870 1.00 0.00 C ATOM 1147 CG LYS A 72 -0.818 3.860 -8.020 1.00 0.00 C ATOM 1148 CD LYS A 72 -0.225 2.498 -7.654 1.00 0.00 C ATOM 1149 CE LYS A 72 0.005 1.686 -8.931 1.00 0.00 C ATOM 1150 NZ LYS A 72 -0.701 0.396 -8.699 1.00 0.00 N ATOM 0 H LYS A 72 -4.130 5.026 -6.368 1.00 0.00 H new ATOM 0 HA LYS A 72 -2.719 2.339 -6.300 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -2.762 3.096 -8.576 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -2.769 4.786 -8.114 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -0.551 4.121 -9.044 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.403 4.634 -7.375 1.00 0.00 H new ATOM 0 HD2 LYS A 72 0.716 2.630 -7.119 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -0.899 1.963 -6.986 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -0.393 2.202 -9.804 1.00 0.00 H new ATOM 0 HE3 LYS A 72 1.068 1.527 -9.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -0.589 -0.216 -9.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -0.296 -0.076 -7.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -1.712 0.578 -8.537 1.00 0.00 H new ATOM 1164 N GLU A 73 -1.344 3.220 -4.450 1.00 0.00 N ATOM 1165 CA GLU A 73 -0.375 3.727 -3.436 1.00 0.00 C ATOM 1166 C GLU A 73 0.799 4.418 -4.145 1.00 0.00 C ATOM 1167 O GLU A 73 1.714 3.775 -4.620 1.00 0.00 O ATOM 1168 CB GLU A 73 0.080 2.474 -2.667 1.00 0.00 C ATOM 1169 CG GLU A 73 1.552 2.594 -2.255 1.00 0.00 C ATOM 1170 CD GLU A 73 1.784 1.825 -0.954 1.00 0.00 C ATOM 1171 OE1 GLU A 73 1.895 0.611 -1.019 1.00 0.00 O ATOM 1172 OE2 GLU A 73 1.848 2.461 0.085 1.00 0.00 O ATOM 0 H GLU A 73 -1.649 2.256 -4.316 1.00 0.00 H new ATOM 0 HA GLU A 73 -0.806 4.467 -2.762 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -0.541 2.340 -1.781 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -0.057 1.590 -3.289 1.00 0.00 H new ATOM 0 HG2 GLU A 73 2.194 2.199 -3.042 1.00 0.00 H new ATOM 0 HG3 GLU A 73 1.819 3.642 -2.122 1.00 0.00 H new ATOM 1179 N CYS A 74 0.775 5.722 -4.219 1.00 0.00 N ATOM 1180 CA CYS A 74 1.885 6.456 -4.897 1.00 0.00 C ATOM 1181 C CYS A 74 1.512 7.933 -5.081 1.00 0.00 C ATOM 1182 O CYS A 74 2.367 8.790 -5.184 1.00 0.00 O ATOM 1183 CB CYS A 74 2.043 5.770 -6.255 1.00 0.00 C ATOM 1184 SG CYS A 74 3.640 4.923 -6.324 1.00 0.00 S ATOM 0 H CYS A 74 0.035 6.312 -3.839 1.00 0.00 H new ATOM 0 HA CYS A 74 2.808 6.432 -4.318 1.00 0.00 H new ATOM 0 HB2 CYS A 74 1.234 5.056 -6.409 1.00 0.00 H new ATOM 0 HB3 CYS A 74 1.975 6.506 -7.056 1.00 0.00 H new ATOM 0 HG CYS A 74 3.631 3.913 -5.506 1.00 0.00 H new ATOM 1190 N TRP A 75 0.241 8.235 -5.126 1.00 0.00 N ATOM 1191 CA TRP A 75 -0.184 9.654 -5.305 1.00 0.00 C ATOM 1192 C TRP A 75 0.022 10.433 -4.001 1.00 0.00 C ATOM 1193 O TRP A 75 -0.448 10.043 -2.950 1.00 0.00 O ATOM 1194 CB TRP A 75 -1.675 9.572 -5.680 1.00 0.00 C ATOM 1195 CG TRP A 75 -2.404 10.792 -5.200 1.00 0.00 C ATOM 1196 CD1 TRP A 75 -2.064 12.061 -5.503 1.00 0.00 C ATOM 1197 CD2 TRP A 75 -3.579 10.879 -4.341 1.00 0.00 C ATOM 1198 NE1 TRP A 75 -2.951 12.925 -4.885 1.00 0.00 N ATOM 1199 CE2 TRP A 75 -3.905 12.243 -4.160 1.00 0.00 C ATOM 1200 CE3 TRP A 75 -4.384 9.916 -3.709 1.00 0.00 C ATOM 1201 CZ2 TRP A 75 -4.993 12.639 -3.380 1.00 0.00 C ATOM 1202 CZ3 TRP A 75 -5.479 10.309 -2.923 1.00 0.00 C ATOM 1203 CH2 TRP A 75 -5.784 11.668 -2.760 1.00 0.00 C ATOM 0 H TRP A 75 -0.520 7.561 -5.047 1.00 0.00 H new ATOM 0 HA TRP A 75 0.393 10.175 -6.069 1.00 0.00 H new ATOM 0 HB2 TRP A 75 -1.780 9.480 -6.761 1.00 0.00 H new ATOM 0 HB3 TRP A 75 -2.119 8.679 -5.240 1.00 0.00 H new ATOM 0 HD1 TRP A 75 -1.233 12.356 -6.127 1.00 0.00 H new ATOM 0 HE1 TRP A 75 -2.905 13.941 -4.957 1.00 0.00 H new ATOM 0 HE3 TRP A 75 -4.159 8.867 -3.829 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 -5.222 13.687 -3.257 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 -6.090 9.560 -2.441 1.00 0.00 H new ATOM 0 HH2 TRP A 75 -6.629 11.964 -2.156 1.00 0.00 H new ATOM 1214 N ASP A 76 0.719 11.535 -4.064 1.00 0.00 N ATOM 1215 CA ASP A 76 0.949 12.342 -2.833 1.00 0.00 C ATOM 1216 C ASP A 76 -0.162 13.385 -2.675 1.00 0.00 C ATOM 1217 O ASP A 76 -0.255 14.327 -3.436 1.00 0.00 O ATOM 1218 CB ASP A 76 2.299 13.022 -3.054 1.00 0.00 C ATOM 1219 CG ASP A 76 3.380 11.956 -3.247 1.00 0.00 C ATOM 1220 OD1 ASP A 76 3.058 10.905 -3.776 1.00 0.00 O ATOM 1221 OD2 ASP A 76 4.510 12.209 -2.867 1.00 0.00 O ATOM 0 H ASP A 76 1.139 11.911 -4.914 1.00 0.00 H new ATOM 0 HA ASP A 76 0.945 11.733 -1.929 1.00 0.00 H new ATOM 0 HB2 ASP A 76 2.253 13.671 -3.928 1.00 0.00 H new ATOM 0 HB3 ASP A 76 2.544 13.654 -2.200 1.00 0.00 H new ATOM 1226 N ARG A 77 -1.007 13.224 -1.693 1.00 0.00 N ATOM 1227 CA ARG A 77 -2.112 14.206 -1.488 1.00 0.00 C ATOM 1228 C ARG A 77 -1.538 15.607 -1.263 1.00 0.00 C ATOM 1229 O ARG A 77 -1.846 16.537 -1.980 1.00 0.00 O ATOM 1230 CB ARG A 77 -2.841 13.719 -0.236 1.00 0.00 C ATOM 1231 CG ARG A 77 -4.123 12.987 -0.639 1.00 0.00 C ATOM 1232 CD ARG A 77 -4.767 12.371 0.604 1.00 0.00 C ATOM 1233 NE ARG A 77 -4.781 13.469 1.610 1.00 0.00 N ATOM 1234 CZ ARG A 77 -4.513 13.212 2.861 1.00 0.00 C ATOM 1235 NH1 ARG A 77 -3.274 13.125 3.262 1.00 0.00 N ATOM 1236 NH2 ARG A 77 -5.486 13.039 3.712 1.00 0.00 N ATOM 0 H ARG A 77 -0.981 12.455 -1.023 1.00 0.00 H new ATOM 0 HA ARG A 77 -2.776 14.270 -2.350 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -2.195 13.054 0.337 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -3.081 14.564 0.409 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -4.816 13.680 -1.116 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -3.897 12.209 -1.369 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -5.776 12.016 0.392 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -4.196 11.514 0.962 1.00 0.00 H new ATOM 0 HE ARG A 77 -5.000 14.422 1.321 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -2.512 13.258 2.597 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -3.068 12.924 4.240 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -6.455 13.105 3.399 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -5.278 12.838 4.690 1.00 0.00 H new ATOM 1250 N ASP A 78 -0.709 15.763 -0.269 1.00 0.00 N ATOM 1251 CA ASP A 78 -0.115 17.104 0.003 1.00 0.00 C ATOM 1252 C ASP A 78 1.395 17.078 -0.255 1.00 0.00 C ATOM 1253 O ASP A 78 2.079 18.069 -0.094 1.00 0.00 O ATOM 1254 CB ASP A 78 -0.406 17.372 1.480 1.00 0.00 C ATOM 1255 CG ASP A 78 -1.238 18.649 1.615 1.00 0.00 C ATOM 1256 OD1 ASP A 78 -1.771 19.094 0.613 1.00 0.00 O ATOM 1257 OD2 ASP A 78 -1.327 19.160 2.719 1.00 0.00 O ATOM 0 H ASP A 78 -0.416 15.021 0.367 1.00 0.00 H new ATOM 0 HA ASP A 78 -0.531 17.879 -0.641 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -0.943 16.529 1.914 1.00 0.00 H new ATOM 0 HB3 ASP A 78 0.528 17.474 2.033 1.00 0.00 H new ATOM 1262 N GLY A 79 1.918 15.952 -0.658 1.00 0.00 N ATOM 1263 CA GLY A 79 3.382 15.869 -0.931 1.00 0.00 C ATOM 1264 C GLY A 79 4.043 14.933 0.083 1.00 0.00 C ATOM 1265 O GLY A 79 5.252 14.841 0.160 1.00 0.00 O ATOM 0 H GLY A 79 1.397 15.088 -0.810 1.00 0.00 H new ATOM 0 HA2 GLY A 79 3.553 15.503 -1.943 1.00 0.00 H new ATOM 0 HA3 GLY A 79 3.830 16.861 -0.871 1.00 0.00 H new ATOM 1269 N LYS A 80 3.260 14.234 0.859 1.00 0.00 N ATOM 1270 CA LYS A 80 3.846 13.302 1.865 1.00 0.00 C ATOM 1271 C LYS A 80 3.839 11.873 1.320 1.00 0.00 C ATOM 1272 O LYS A 80 4.455 10.983 1.873 1.00 0.00 O ATOM 1273 CB LYS A 80 2.936 13.417 3.089 1.00 0.00 C ATOM 1274 CG LYS A 80 2.851 14.881 3.528 1.00 0.00 C ATOM 1275 CD LYS A 80 3.878 15.144 4.631 1.00 0.00 C ATOM 1276 CE LYS A 80 5.080 15.883 4.042 1.00 0.00 C ATOM 1277 NZ LYS A 80 4.649 17.306 3.955 1.00 0.00 N ATOM 0 H LYS A 80 2.241 14.268 0.840 1.00 0.00 H new ATOM 0 HA LYS A 80 4.881 13.546 2.105 1.00 0.00 H new ATOM 0 HB2 LYS A 80 1.941 13.039 2.852 1.00 0.00 H new ATOM 0 HB3 LYS A 80 3.324 12.804 3.903 1.00 0.00 H new ATOM 0 HG2 LYS A 80 3.038 15.538 2.678 1.00 0.00 H new ATOM 0 HG3 LYS A 80 1.848 15.105 3.890 1.00 0.00 H new ATOM 0 HD2 LYS A 80 3.428 15.736 5.428 1.00 0.00 H new ATOM 0 HD3 LYS A 80 4.199 14.202 5.076 1.00 0.00 H new ATOM 0 HE2 LYS A 80 5.960 15.775 4.676 1.00 0.00 H new ATOM 0 HE3 LYS A 80 5.344 15.489 3.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 4.907 17.690 3.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 3.618 17.365 4.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 5.121 17.858 4.700 1.00 0.00 H new ATOM 1291 N GLU A 81 3.147 11.648 0.238 1.00 0.00 N ATOM 1292 CA GLU A 81 3.096 10.279 -0.351 1.00 0.00 C ATOM 1293 C GLU A 81 2.463 9.298 0.639 1.00 0.00 C ATOM 1294 O GLU A 81 3.081 8.884 1.600 1.00 0.00 O ATOM 1295 CB GLU A 81 4.555 9.906 -0.618 1.00 0.00 C ATOM 1296 CG GLU A 81 4.611 8.732 -1.600 1.00 0.00 C ATOM 1297 CD GLU A 81 3.945 7.507 -0.970 1.00 0.00 C ATOM 1298 OE1 GLU A 81 4.492 6.988 -0.012 1.00 0.00 O ATOM 1299 OE2 GLU A 81 2.899 7.110 -1.458 1.00 0.00 O ATOM 0 H GLU A 81 2.612 12.355 -0.266 1.00 0.00 H new ATOM 0 HA GLU A 81 2.494 10.244 -1.259 1.00 0.00 H new ATOM 0 HB2 GLU A 81 5.091 10.762 -1.027 1.00 0.00 H new ATOM 0 HB3 GLU A 81 5.049 9.637 0.315 1.00 0.00 H new ATOM 0 HG2 GLU A 81 4.105 8.997 -2.529 1.00 0.00 H new ATOM 0 HG3 GLU A 81 5.647 8.506 -1.854 1.00 0.00 H new ATOM 1306 N ARG A 82 1.236 8.921 0.408 1.00 0.00 N ATOM 1307 CA ARG A 82 0.563 7.964 1.332 1.00 0.00 C ATOM 1308 C ARG A 82 0.082 6.736 0.552 1.00 0.00 C ATOM 1309 O ARG A 82 0.189 6.676 -0.656 1.00 0.00 O ATOM 1310 CB ARG A 82 -0.622 8.739 1.910 1.00 0.00 C ATOM 1311 CG ARG A 82 -0.171 9.498 3.160 1.00 0.00 C ATOM 1312 CD ARG A 82 -1.331 10.338 3.699 1.00 0.00 C ATOM 1313 NE ARG A 82 -0.765 11.067 4.868 1.00 0.00 N ATOM 1314 CZ ARG A 82 -1.525 11.357 5.891 1.00 0.00 C ATOM 1315 NH1 ARG A 82 -2.824 11.284 5.784 1.00 0.00 N ATOM 1316 NH2 ARG A 82 -0.983 11.719 7.021 1.00 0.00 N ATOM 0 H ARG A 82 0.670 9.234 -0.381 1.00 0.00 H new ATOM 0 HA ARG A 82 1.228 7.602 2.116 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -1.011 9.436 1.168 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -1.432 8.054 2.160 1.00 0.00 H new ATOM 0 HG2 ARG A 82 0.167 8.795 3.922 1.00 0.00 H new ATOM 0 HG3 ARG A 82 0.676 10.141 2.921 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -1.702 11.030 2.943 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -2.171 9.709 3.994 1.00 0.00 H new ATOM 0 HE ARG A 82 0.218 11.340 4.870 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -3.248 11.000 4.901 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -3.415 11.511 6.584 1.00 0.00 H new ATOM 0 HH21 ARG A 82 0.032 11.775 7.105 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -1.574 11.946 7.821 1.00 0.00 H new ATOM 1330 N VAL A 83 -0.442 5.755 1.234 1.00 0.00 N ATOM 1331 CA VAL A 83 -0.922 4.529 0.533 1.00 0.00 C ATOM 1332 C VAL A 83 -2.269 4.794 -0.148 1.00 0.00 C ATOM 1333 O VAL A 83 -2.855 5.848 0.003 1.00 0.00 O ATOM 1334 CB VAL A 83 -1.073 3.483 1.638 1.00 0.00 C ATOM 1335 CG1 VAL A 83 -2.108 3.963 2.656 1.00 0.00 C ATOM 1336 CG2 VAL A 83 -1.535 2.156 1.030 1.00 0.00 C ATOM 0 H VAL A 83 -0.559 5.749 2.247 1.00 0.00 H new ATOM 0 HA VAL A 83 -0.236 4.204 -0.249 1.00 0.00 H new ATOM 0 HB VAL A 83 -0.113 3.340 2.133 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -2.216 3.218 3.444 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -1.779 4.907 3.092 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -3.067 4.107 2.159 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -1.642 1.412 1.819 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.495 2.298 0.533 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -0.798 1.812 0.305 1.00 0.00 H new ATOM 1346 N THR A 84 -2.765 3.840 -0.892 1.00 0.00 N ATOM 1347 CA THR A 84 -4.076 4.029 -1.580 1.00 0.00 C ATOM 1348 C THR A 84 -5.187 4.273 -0.553 1.00 0.00 C ATOM 1349 O THR A 84 -6.292 4.643 -0.895 1.00 0.00 O ATOM 1350 CB THR A 84 -4.318 2.716 -2.326 1.00 0.00 C ATOM 1351 OG1 THR A 84 -5.649 2.694 -2.821 1.00 0.00 O ATOM 1352 CG2 THR A 84 -4.106 1.541 -1.370 1.00 0.00 C ATOM 0 H THR A 84 -2.318 2.937 -1.053 1.00 0.00 H new ATOM 0 HA THR A 84 -4.071 4.889 -2.250 1.00 0.00 H new ATOM 0 HB THR A 84 -3.620 2.634 -3.159 1.00 0.00 H new ATOM 0 HG1 THR A 84 -5.806 1.854 -3.301 1.00 0.00 H new ATOM 0 HG21 THR A 84 -4.278 0.605 -1.901 1.00 0.00 H new ATOM 0 HG22 THR A 84 -3.084 1.560 -0.991 1.00 0.00 H new ATOM 0 HG23 THR A 84 -4.804 1.619 -0.537 1.00 0.00 H new ATOM 1360 N GLY A 85 -4.903 4.069 0.702 1.00 0.00 N ATOM 1361 CA GLY A 85 -5.942 4.292 1.746 1.00 0.00 C ATOM 1362 C GLY A 85 -6.097 5.794 1.994 1.00 0.00 C ATOM 1363 O GLY A 85 -7.012 6.231 2.664 1.00 0.00 O ATOM 0 H GLY A 85 -3.997 3.757 1.051 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -6.892 3.865 1.426 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -5.660 3.787 2.670 1.00 0.00 H new ATOM 1367 N GLU A 86 -5.211 6.590 1.458 1.00 0.00 N ATOM 1368 CA GLU A 86 -5.312 8.064 1.665 1.00 0.00 C ATOM 1369 C GLU A 86 -6.469 8.628 0.835 1.00 0.00 C ATOM 1370 O GLU A 86 -6.845 8.077 -0.179 1.00 0.00 O ATOM 1371 CB GLU A 86 -3.970 8.629 1.190 1.00 0.00 C ATOM 1372 CG GLU A 86 -3.945 8.688 -0.338 1.00 0.00 C ATOM 1373 CD GLU A 86 -2.554 9.111 -0.812 1.00 0.00 C ATOM 1374 OE1 GLU A 86 -1.611 8.388 -0.537 1.00 0.00 O ATOM 1375 OE2 GLU A 86 -2.455 10.150 -1.444 1.00 0.00 O ATOM 0 H GLU A 86 -4.423 6.284 0.887 1.00 0.00 H new ATOM 0 HA GLU A 86 -5.510 8.327 2.704 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -3.817 9.626 1.604 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -3.153 8.005 1.552 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -4.201 7.714 -0.754 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -4.693 9.395 -0.697 1.00 0.00 H new ATOM 1382 N GLU A 87 -7.037 9.720 1.260 1.00 0.00 N ATOM 1383 CA GLU A 87 -8.170 10.315 0.497 1.00 0.00 C ATOM 1384 C GLU A 87 -8.348 11.787 0.876 1.00 0.00 C ATOM 1385 O GLU A 87 -7.885 12.230 1.909 1.00 0.00 O ATOM 1386 CB GLU A 87 -9.397 9.504 0.918 1.00 0.00 C ATOM 1387 CG GLU A 87 -9.491 9.476 2.444 1.00 0.00 C ATOM 1388 CD GLU A 87 -10.906 9.070 2.860 1.00 0.00 C ATOM 1389 OE1 GLU A 87 -11.831 9.392 2.132 1.00 0.00 O ATOM 1390 OE2 GLU A 87 -11.042 8.443 3.898 1.00 0.00 O ATOM 0 H GLU A 87 -6.767 10.227 2.103 1.00 0.00 H new ATOM 0 HA GLU A 87 -8.006 10.281 -0.580 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -10.300 9.945 0.495 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -9.326 8.488 0.529 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -8.765 8.772 2.851 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -9.248 10.457 2.852 1.00 0.00 H new ATOM 1397 N TRP A 88 -9.022 12.547 0.058 1.00 0.00 N ATOM 1398 CA TRP A 88 -9.229 13.982 0.394 1.00 0.00 C ATOM 1399 C TRP A 88 -10.560 14.477 -0.190 1.00 0.00 C ATOM 1400 O TRP A 88 -10.995 14.042 -1.238 1.00 0.00 O ATOM 1401 CB TRP A 88 -8.007 14.712 -0.194 1.00 0.00 C ATOM 1402 CG TRP A 88 -8.316 15.351 -1.514 1.00 0.00 C ATOM 1403 CD1 TRP A 88 -8.921 14.742 -2.560 1.00 0.00 C ATOM 1404 CD2 TRP A 88 -8.024 16.711 -1.945 1.00 0.00 C ATOM 1405 NE1 TRP A 88 -9.026 15.647 -3.604 1.00 0.00 N ATOM 1406 CE2 TRP A 88 -8.485 16.874 -3.273 1.00 0.00 C ATOM 1407 CE3 TRP A 88 -7.412 17.810 -1.316 1.00 0.00 C ATOM 1408 CZ2 TRP A 88 -8.341 18.084 -3.953 1.00 0.00 C ATOM 1409 CZ3 TRP A 88 -7.266 19.030 -1.997 1.00 0.00 C ATOM 1410 CH2 TRP A 88 -7.730 19.166 -3.313 1.00 0.00 C ATOM 0 H TRP A 88 -9.435 12.239 -0.822 1.00 0.00 H new ATOM 0 HA TRP A 88 -9.300 14.164 1.466 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -7.668 15.474 0.507 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -7.187 14.005 -0.317 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -9.265 13.719 -2.578 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -9.451 15.433 -4.506 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -7.052 17.715 -0.302 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -8.699 18.184 -4.967 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -6.794 19.867 -1.504 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -7.615 20.106 -3.832 1.00 0.00 H new ATOM 1421 N LEU A 89 -11.216 15.369 0.498 1.00 0.00 N ATOM 1422 CA LEU A 89 -12.524 15.882 0.004 1.00 0.00 C ATOM 1423 C LEU A 89 -12.367 17.304 -0.536 1.00 0.00 C ATOM 1424 O LEU A 89 -11.887 18.189 0.144 1.00 0.00 O ATOM 1425 CB LEU A 89 -13.443 15.861 1.230 1.00 0.00 C ATOM 1426 CG LEU A 89 -14.667 16.759 1.000 1.00 0.00 C ATOM 1427 CD1 LEU A 89 -14.293 18.218 1.267 1.00 0.00 C ATOM 1428 CD2 LEU A 89 -15.158 16.616 -0.445 1.00 0.00 C ATOM 0 H LEU A 89 -10.902 15.766 1.384 1.00 0.00 H new ATOM 0 HA LEU A 89 -12.924 15.282 -0.813 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -13.767 14.840 1.432 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -12.895 16.201 2.109 1.00 0.00 H new ATOM 0 HG LEU A 89 -15.462 16.455 1.681 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -15.164 18.853 1.103 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -13.956 18.324 2.298 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -13.493 18.518 0.591 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -16.026 17.256 -0.599 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -14.363 16.911 -1.130 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -15.434 15.579 -0.635 1.00 0.00 H new ATOM 1440 N VAL A 90 -12.768 17.525 -1.755 1.00 0.00 N ATOM 1441 CA VAL A 90 -12.644 18.884 -2.347 1.00 0.00 C ATOM 1442 C VAL A 90 -13.935 19.682 -2.149 1.00 0.00 C ATOM 1443 O VAL A 90 -15.017 19.235 -2.484 1.00 0.00 O ATOM 1444 CB VAL A 90 -12.395 18.643 -3.834 1.00 0.00 C ATOM 1445 CG1 VAL A 90 -12.069 19.970 -4.520 1.00 0.00 C ATOM 1446 CG2 VAL A 90 -11.221 17.680 -3.997 1.00 0.00 C ATOM 0 H VAL A 90 -13.178 16.821 -2.369 1.00 0.00 H new ATOM 0 HA VAL A 90 -11.845 19.460 -1.880 1.00 0.00 H new ATOM 0 HB VAL A 90 -13.287 18.213 -4.290 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -11.891 19.797 -5.581 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -12.906 20.657 -4.400 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -11.176 20.403 -4.069 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -11.039 17.504 -5.057 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -10.330 18.113 -3.543 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -11.455 16.735 -3.508 1.00 0.00 H new ATOM 1456 N THR A 91 -13.822 20.867 -1.616 1.00 0.00 N ATOM 1457 CA THR A 91 -15.024 21.719 -1.399 1.00 0.00 C ATOM 1458 C THR A 91 -14.724 23.144 -1.870 1.00 0.00 C ATOM 1459 O THR A 91 -15.247 24.107 -1.346 1.00 0.00 O ATOM 1460 CB THR A 91 -15.268 21.699 0.111 1.00 0.00 C ATOM 1461 OG1 THR A 91 -14.415 20.739 0.720 1.00 0.00 O ATOM 1462 CG2 THR A 91 -16.726 21.335 0.387 1.00 0.00 C ATOM 0 H THR A 91 -12.940 21.285 -1.319 1.00 0.00 H new ATOM 0 HA THR A 91 -15.894 21.362 -1.950 1.00 0.00 H new ATOM 0 HB THR A 91 -15.055 22.685 0.525 1.00 0.00 H new ATOM 0 HG1 THR A 91 -14.560 20.740 1.689 1.00 0.00 H new ATOM 0 HG21 THR A 91 -16.900 21.321 1.463 1.00 0.00 H new ATOM 0 HG22 THR A 91 -17.380 22.074 -0.077 1.00 0.00 H new ATOM 0 HG23 THR A 91 -16.940 20.350 -0.028 1.00 0.00 H new ATOM 1470 N THR A 92 -13.871 23.280 -2.848 1.00 0.00 N ATOM 1471 CA THR A 92 -13.517 24.639 -3.351 1.00 0.00 C ATOM 1472 C THR A 92 -14.567 25.139 -4.344 1.00 0.00 C ATOM 1473 O THR A 92 -14.942 24.449 -5.270 1.00 0.00 O ATOM 1474 CB THR A 92 -12.164 24.458 -4.044 1.00 0.00 C ATOM 1475 OG1 THR A 92 -11.444 23.415 -3.401 1.00 0.00 O ATOM 1476 CG2 THR A 92 -11.365 25.760 -3.959 1.00 0.00 C ATOM 0 H THR A 92 -13.403 22.508 -3.322 1.00 0.00 H new ATOM 0 HA THR A 92 -13.475 25.376 -2.549 1.00 0.00 H new ATOM 0 HB THR A 92 -12.322 24.201 -5.091 1.00 0.00 H new ATOM 0 HG1 THR A 92 -10.578 23.295 -3.843 1.00 0.00 H new ATOM 0 HG21 THR A 92 -10.402 25.629 -4.453 1.00 0.00 H new ATOM 0 HG22 THR A 92 -11.919 26.560 -4.451 1.00 0.00 H new ATOM 0 HG23 THR A 92 -11.204 26.020 -2.913 1.00 0.00 H new ATOM 1484 N VAL A 93 -15.039 26.342 -4.158 1.00 0.00 N ATOM 1485 CA VAL A 93 -16.061 26.897 -5.090 1.00 0.00 C ATOM 1486 C VAL A 93 -15.456 27.076 -6.486 1.00 0.00 C ATOM 1487 O VAL A 93 -14.572 27.886 -6.685 1.00 0.00 O ATOM 1488 CB VAL A 93 -16.433 28.256 -4.495 1.00 0.00 C ATOM 1489 CG1 VAL A 93 -17.708 28.772 -5.161 1.00 0.00 C ATOM 1490 CG2 VAL A 93 -16.668 28.107 -2.989 1.00 0.00 C ATOM 0 H VAL A 93 -14.760 26.965 -3.400 1.00 0.00 H new ATOM 0 HA VAL A 93 -16.926 26.243 -5.197 1.00 0.00 H new ATOM 0 HB VAL A 93 -15.621 28.963 -4.668 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -17.973 29.741 -4.737 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -17.541 28.878 -6.233 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -18.520 28.066 -4.989 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -16.933 29.075 -2.565 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -17.480 27.400 -2.816 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -15.759 27.739 -2.514 1.00 0.00 H new ATOM 1500 N GLY A 94 -15.920 26.333 -7.456 1.00 0.00 N ATOM 1501 CA GLY A 94 -15.352 26.484 -8.827 1.00 0.00 C ATOM 1502 C GLY A 94 -16.043 25.524 -9.796 1.00 0.00 C ATOM 1503 O GLY A 94 -17.082 25.828 -10.349 1.00 0.00 O ATOM 0 H GLY A 94 -16.659 25.636 -7.360 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -15.479 27.511 -9.169 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -14.281 26.284 -8.808 1.00 0.00 H new ATOM 1507 N ALA A 95 -15.469 24.373 -10.025 1.00 0.00 N ATOM 1508 CA ALA A 95 -16.097 23.414 -10.977 1.00 0.00 C ATOM 1509 C ALA A 95 -15.777 21.966 -10.597 1.00 0.00 C ATOM 1510 O ALA A 95 -16.660 21.141 -10.516 1.00 0.00 O ATOM 1511 CB ALA A 95 -15.479 23.750 -12.327 1.00 0.00 C ATOM 0 H ALA A 95 -14.599 24.058 -9.597 1.00 0.00 H new ATOM 0 HA ALA A 95 -17.184 23.500 -10.977 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -15.888 23.087 -13.090 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -15.708 24.784 -12.584 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -14.398 23.619 -12.275 1.00 0.00 H new ATOM 1517 N TYR A 96 -14.522 21.651 -10.375 1.00 0.00 N ATOM 1518 CA TYR A 96 -14.144 20.250 -10.003 1.00 0.00 C ATOM 1519 C TYR A 96 -12.622 20.116 -9.882 1.00 0.00 C ATOM 1520 O TYR A 96 -11.876 20.930 -10.388 1.00 0.00 O ATOM 1521 CB TYR A 96 -14.663 19.358 -11.136 1.00 0.00 C ATOM 1522 CG TYR A 96 -13.815 19.539 -12.374 1.00 0.00 C ATOM 1523 CD1 TYR A 96 -13.678 20.803 -12.961 1.00 0.00 C ATOM 1524 CD2 TYR A 96 -13.168 18.433 -12.939 1.00 0.00 C ATOM 1525 CE1 TYR A 96 -12.893 20.958 -14.112 1.00 0.00 C ATOM 1526 CE2 TYR A 96 -12.384 18.589 -14.087 1.00 0.00 C ATOM 1527 CZ TYR A 96 -12.246 19.851 -14.673 1.00 0.00 C ATOM 1528 OH TYR A 96 -11.472 20.006 -15.805 1.00 0.00 O ATOM 0 H TYR A 96 -13.742 22.305 -10.436 1.00 0.00 H new ATOM 0 HA TYR A 96 -14.570 19.968 -9.040 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -14.645 18.314 -10.824 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -15.701 19.607 -11.358 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -14.177 21.657 -12.527 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -13.275 17.458 -12.488 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -12.787 21.932 -14.566 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -11.885 17.735 -14.521 1.00 0.00 H new ATOM 0 HH TYR A 96 -11.032 20.881 -15.783 1.00 0.00 H new ATOM 1538 N LEU A 97 -12.159 19.090 -9.216 1.00 0.00 N ATOM 1539 CA LEU A 97 -10.686 18.896 -9.057 1.00 0.00 C ATOM 1540 C LEU A 97 -10.371 17.416 -8.815 1.00 0.00 C ATOM 1541 O LEU A 97 -10.029 17.027 -7.715 1.00 0.00 O ATOM 1542 CB LEU A 97 -10.308 19.725 -7.829 1.00 0.00 C ATOM 1543 CG LEU A 97 -10.010 21.167 -8.246 1.00 0.00 C ATOM 1544 CD1 LEU A 97 -9.586 21.971 -7.015 1.00 0.00 C ATOM 1545 CD2 LEU A 97 -8.875 21.183 -9.272 1.00 0.00 C ATOM 0 H LEU A 97 -12.739 18.376 -8.774 1.00 0.00 H new ATOM 0 HA LEU A 97 -10.132 19.201 -9.945 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -11.121 19.708 -7.103 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -9.436 19.291 -7.341 1.00 0.00 H new ATOM 0 HG LEU A 97 -10.904 21.608 -8.687 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -9.373 22.999 -7.308 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -10.391 21.962 -6.280 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -8.692 21.525 -6.579 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -8.665 22.211 -9.567 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -7.981 20.742 -8.832 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -9.169 20.607 -10.149 1.00 0.00 H new ATOM 1557 N PRO A 98 -10.498 16.637 -9.856 1.00 0.00 N ATOM 1558 CA PRO A 98 -10.224 15.182 -9.757 1.00 0.00 C ATOM 1559 C PRO A 98 -8.719 14.926 -9.627 1.00 0.00 C ATOM 1560 O PRO A 98 -7.928 15.416 -10.407 1.00 0.00 O ATOM 1561 CB PRO A 98 -10.760 14.627 -11.074 1.00 0.00 C ATOM 1562 CG PRO A 98 -10.717 15.781 -12.025 1.00 0.00 C ATOM 1563 CD PRO A 98 -10.901 17.034 -11.208 1.00 0.00 C ATOM 0 HA PRO A 98 -10.685 14.718 -8.885 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -10.149 13.798 -11.431 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -11.775 14.248 -10.959 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -9.767 15.805 -12.559 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -11.502 15.691 -12.775 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -10.285 17.850 -11.585 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -11.935 17.378 -11.232 1.00 0.00 H new ATOM 1571 N ALA A 99 -8.321 14.164 -8.645 1.00 0.00 N ATOM 1572 CA ALA A 99 -6.868 13.880 -8.463 1.00 0.00 C ATOM 1573 C ALA A 99 -6.340 13.040 -9.629 1.00 0.00 C ATOM 1574 O ALA A 99 -6.963 12.939 -10.667 1.00 0.00 O ATOM 1575 CB ALA A 99 -6.784 13.090 -7.158 1.00 0.00 C ATOM 0 H ALA A 99 -8.938 13.726 -7.961 1.00 0.00 H new ATOM 0 HA ALA A 99 -6.270 14.791 -8.432 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -5.744 12.840 -6.950 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -7.183 13.692 -6.342 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -7.366 12.173 -7.250 1.00 0.00 H new ATOM 1581 N VAL A 100 -5.196 12.435 -9.462 1.00 0.00 N ATOM 1582 CA VAL A 100 -4.624 11.599 -10.558 1.00 0.00 C ATOM 1583 C VAL A 100 -4.863 10.115 -10.258 1.00 0.00 C ATOM 1584 O VAL A 100 -5.629 9.454 -10.931 1.00 0.00 O ATOM 1585 CB VAL A 100 -3.126 11.913 -10.568 1.00 0.00 C ATOM 1586 CG1 VAL A 100 -2.527 11.492 -11.911 1.00 0.00 C ATOM 1587 CG2 VAL A 100 -2.911 13.417 -10.367 1.00 0.00 C ATOM 0 H VAL A 100 -4.632 12.483 -8.614 1.00 0.00 H new ATOM 0 HA VAL A 100 -5.083 11.811 -11.523 1.00 0.00 H new ATOM 0 HB VAL A 100 -2.639 11.367 -9.761 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -1.460 11.715 -11.919 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -2.675 10.422 -12.056 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -3.018 12.039 -12.716 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -1.843 13.636 -10.375 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -3.400 13.965 -11.172 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -3.337 13.721 -9.411 1.00 0.00 H new ATOM 1597 N PHE A 101 -4.220 9.589 -9.248 1.00 0.00 N ATOM 1598 CA PHE A 101 -4.421 8.151 -8.903 1.00 0.00 C ATOM 1599 C PHE A 101 -5.708 7.984 -8.091 1.00 0.00 C ATOM 1600 O PHE A 101 -6.272 6.910 -8.012 1.00 0.00 O ATOM 1601 CB PHE A 101 -3.210 7.767 -8.048 1.00 0.00 C ATOM 1602 CG PHE A 101 -1.928 7.963 -8.827 1.00 0.00 C ATOM 1603 CD1 PHE A 101 -1.961 8.141 -10.216 1.00 0.00 C ATOM 1604 CD2 PHE A 101 -0.697 7.959 -8.153 1.00 0.00 C ATOM 1605 CE1 PHE A 101 -0.770 8.313 -10.929 1.00 0.00 C ATOM 1606 CE2 PHE A 101 0.493 8.134 -8.869 1.00 0.00 C ATOM 1607 CZ PHE A 101 0.457 8.311 -10.256 1.00 0.00 C ATOM 0 H PHE A 101 -3.566 10.092 -8.649 1.00 0.00 H new ATOM 0 HA PHE A 101 -4.509 7.526 -9.791 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -3.189 8.374 -7.143 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -3.295 6.727 -7.732 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -2.907 8.145 -10.737 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -0.668 7.821 -7.082 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -0.797 8.448 -12.000 1.00 0.00 H new ATOM 0 HE2 PHE A 101 1.440 8.132 -8.350 1.00 0.00 H new ATOM 0 HZ PHE A 101 1.376 8.446 -10.807 1.00 0.00 H new ATOM 1617 N GLU A 102 -6.168 9.040 -7.477 1.00 0.00 N ATOM 1618 CA GLU A 102 -7.412 8.952 -6.657 1.00 0.00 C ATOM 1619 C GLU A 102 -8.648 9.197 -7.532 1.00 0.00 C ATOM 1620 O GLU A 102 -8.618 9.970 -8.467 1.00 0.00 O ATOM 1621 CB GLU A 102 -7.241 10.046 -5.593 1.00 0.00 C ATOM 1622 CG GLU A 102 -8.593 10.667 -5.223 1.00 0.00 C ATOM 1623 CD GLU A 102 -8.376 11.768 -4.185 1.00 0.00 C ATOM 1624 OE1 GLU A 102 -8.059 12.877 -4.585 1.00 0.00 O ATOM 1625 OE2 GLU A 102 -8.529 11.484 -3.008 1.00 0.00 O ATOM 0 H GLU A 102 -5.735 9.963 -7.508 1.00 0.00 H new ATOM 0 HA GLU A 102 -7.559 7.970 -6.207 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -6.775 9.623 -4.703 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -6.571 10.820 -5.967 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -9.073 11.078 -6.111 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -9.261 9.903 -4.825 1.00 0.00 H new ATOM 1632 N GLU A 103 -9.734 8.539 -7.226 1.00 0.00 N ATOM 1633 CA GLU A 103 -10.976 8.726 -8.029 1.00 0.00 C ATOM 1634 C GLU A 103 -12.121 9.192 -7.125 1.00 0.00 C ATOM 1635 O GLU A 103 -12.002 9.201 -5.915 1.00 0.00 O ATOM 1636 CB GLU A 103 -11.279 7.343 -8.607 1.00 0.00 C ATOM 1637 CG GLU A 103 -11.266 7.415 -10.135 1.00 0.00 C ATOM 1638 CD GLU A 103 -12.703 7.411 -10.658 1.00 0.00 C ATOM 1639 OE1 GLU A 103 -13.388 6.424 -10.446 1.00 0.00 O ATOM 1640 OE2 GLU A 103 -13.096 8.397 -11.261 1.00 0.00 O ATOM 0 H GLU A 103 -9.814 7.879 -6.453 1.00 0.00 H new ATOM 0 HA GLU A 103 -10.859 9.479 -8.808 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -10.539 6.622 -8.260 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -12.251 6.996 -8.257 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -10.751 8.318 -10.463 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -10.716 6.568 -10.545 1.00 0.00 H new ATOM 1647 N VAL A 104 -13.229 9.580 -7.697 1.00 0.00 N ATOM 1648 CA VAL A 104 -14.373 10.043 -6.860 1.00 0.00 C ATOM 1649 C VAL A 104 -15.208 8.850 -6.388 1.00 0.00 C ATOM 1650 O VAL A 104 -15.499 7.942 -7.141 1.00 0.00 O ATOM 1651 CB VAL A 104 -15.197 10.948 -7.776 1.00 0.00 C ATOM 1652 CG1 VAL A 104 -15.601 10.176 -9.035 1.00 0.00 C ATOM 1653 CG2 VAL A 104 -16.455 11.407 -7.035 1.00 0.00 C ATOM 0 H VAL A 104 -13.391 9.596 -8.704 1.00 0.00 H new ATOM 0 HA VAL A 104 -14.039 10.566 -5.964 1.00 0.00 H new ATOM 0 HB VAL A 104 -14.601 11.815 -8.060 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -16.188 10.824 -9.686 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -14.706 9.846 -9.563 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -16.197 9.308 -8.754 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -17.045 12.053 -7.685 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -17.048 10.537 -6.752 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -16.169 11.958 -6.139 1.00 0.00 H new ATOM 1663 N LEU A 105 -15.595 8.848 -5.142 1.00 0.00 N ATOM 1664 CA LEU A 105 -16.411 7.719 -4.612 1.00 0.00 C ATOM 1665 C LEU A 105 -17.900 8.060 -4.709 1.00 0.00 C ATOM 1666 O LEU A 105 -18.739 7.193 -4.852 1.00 0.00 O ATOM 1667 CB LEU A 105 -15.988 7.577 -3.148 1.00 0.00 C ATOM 1668 CG LEU A 105 -14.464 7.660 -3.046 1.00 0.00 C ATOM 1669 CD1 LEU A 105 -14.067 8.982 -2.387 1.00 0.00 C ATOM 1670 CD2 LEU A 105 -13.946 6.495 -2.202 1.00 0.00 C ATOM 0 H LEU A 105 -15.381 9.581 -4.466 1.00 0.00 H new ATOM 0 HA LEU A 105 -16.256 6.796 -5.171 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -16.446 8.363 -2.548 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -16.338 6.626 -2.748 1.00 0.00 H new ATOM 0 HG LEU A 105 -14.030 7.608 -4.045 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -12.981 9.041 -2.315 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -14.436 9.813 -2.988 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -14.501 9.035 -1.388 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -12.860 6.553 -2.129 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -14.380 6.548 -1.204 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -14.228 5.552 -2.671 1.00 0.00 H new ATOM 1682 N ASP A 106 -18.230 9.321 -4.632 1.00 0.00 N ATOM 1683 CA ASP A 106 -19.663 9.723 -4.721 1.00 0.00 C ATOM 1684 C ASP A 106 -19.795 11.246 -4.639 1.00 0.00 C ATOM 1685 O ASP A 106 -19.359 11.866 -3.689 1.00 0.00 O ATOM 1686 CB ASP A 106 -20.336 9.065 -3.515 1.00 0.00 C ATOM 1687 CG ASP A 106 -19.807 9.698 -2.227 1.00 0.00 C ATOM 1688 OD1 ASP A 106 -18.599 9.823 -2.104 1.00 0.00 O ATOM 1689 OD2 ASP A 106 -20.618 10.045 -1.384 1.00 0.00 O ATOM 0 H ASP A 106 -17.570 10.089 -4.511 1.00 0.00 H new ATOM 0 HA ASP A 106 -20.117 9.415 -5.663 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -21.417 9.189 -3.576 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -20.137 7.993 -3.514 1.00 0.00 H new ATOM 1694 N LEU A 107 -20.400 11.851 -5.624 1.00 0.00 N ATOM 1695 CA LEU A 107 -20.566 13.331 -5.601 1.00 0.00 C ATOM 1696 C LEU A 107 -21.703 13.709 -4.647 1.00 0.00 C ATOM 1697 O LEU A 107 -22.681 12.999 -4.527 1.00 0.00 O ATOM 1698 CB LEU A 107 -20.920 13.711 -7.039 1.00 0.00 C ATOM 1699 CG LEU A 107 -22.278 13.110 -7.407 1.00 0.00 C ATOM 1700 CD1 LEU A 107 -23.258 14.236 -7.743 1.00 0.00 C ATOM 1701 CD2 LEU A 107 -22.120 12.193 -8.622 1.00 0.00 C ATOM 0 H LEU A 107 -20.787 11.384 -6.444 1.00 0.00 H new ATOM 0 HA LEU A 107 -19.671 13.848 -5.255 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -20.950 14.796 -7.143 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -20.152 13.347 -7.722 1.00 0.00 H new ATOM 0 HG LEU A 107 -22.660 12.533 -6.565 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -24.226 13.809 -8.005 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -23.372 14.889 -6.878 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -22.875 14.812 -8.585 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -23.088 11.765 -8.883 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -21.738 12.769 -9.465 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -21.421 11.391 -8.384 1.00 0.00 H new ATOM 1713 N VAL A 108 -21.585 14.813 -3.963 1.00 0.00 N ATOM 1714 CA VAL A 108 -22.670 15.212 -3.020 1.00 0.00 C ATOM 1715 C VAL A 108 -23.065 16.673 -3.252 1.00 0.00 C ATOM 1716 O VAL A 108 -22.284 17.466 -3.734 1.00 0.00 O ATOM 1717 CB VAL A 108 -22.070 15.025 -1.628 1.00 0.00 C ATOM 1718 CG1 VAL A 108 -20.918 16.011 -1.426 1.00 0.00 C ATOM 1719 CG2 VAL A 108 -23.146 15.276 -0.570 1.00 0.00 C ATOM 0 H VAL A 108 -20.792 15.452 -4.014 1.00 0.00 H new ATOM 0 HA VAL A 108 -23.575 14.620 -3.154 1.00 0.00 H new ATOM 0 HB VAL A 108 -21.695 14.006 -1.532 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -20.492 15.875 -0.432 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -20.149 15.831 -2.178 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -21.290 17.031 -1.525 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -22.718 15.142 0.423 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -23.523 16.294 -0.669 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -23.965 14.571 -0.710 1.00 0.00 H new ATOM 1729 N ASP A 109 -24.272 17.035 -2.914 1.00 0.00 N ATOM 1730 CA ASP A 109 -24.711 18.447 -3.116 1.00 0.00 C ATOM 1731 C ASP A 109 -24.879 19.146 -1.763 1.00 0.00 C ATOM 1732 O ASP A 109 -25.618 18.695 -0.911 1.00 0.00 O ATOM 1733 CB ASP A 109 -26.053 18.348 -3.843 1.00 0.00 C ATOM 1734 CG ASP A 109 -26.561 19.755 -4.165 1.00 0.00 C ATOM 1735 OD1 ASP A 109 -25.757 20.672 -4.150 1.00 0.00 O ATOM 1736 OD2 ASP A 109 -27.747 19.892 -4.420 1.00 0.00 O ATOM 0 H ASP A 109 -24.973 16.416 -2.507 1.00 0.00 H new ATOM 0 HA ASP A 109 -23.985 19.028 -3.685 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -25.940 17.771 -4.761 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -26.778 17.821 -3.222 1.00 0.00 H new ATOM 1741 N ALA A 110 -24.197 20.239 -1.556 1.00 0.00 N ATOM 1742 CA ALA A 110 -24.322 20.956 -0.252 1.00 0.00 C ATOM 1743 C ALA A 110 -25.709 21.589 -0.122 1.00 0.00 C ATOM 1744 O ALA A 110 -26.554 21.442 -0.983 1.00 0.00 O ATOM 1745 CB ALA A 110 -23.243 22.038 -0.285 1.00 0.00 C ATOM 0 H ALA A 110 -23.561 20.666 -2.229 1.00 0.00 H new ATOM 0 HA ALA A 110 -24.200 20.283 0.597 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -23.272 22.609 0.643 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -22.264 21.572 -0.394 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -23.423 22.705 -1.128 1.00 0.00 H new