USER MOD reduce.3.24.130724 H: found=0, std=0, add=800, rem=0, adj=12 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 Set 1.1: A 10 ASN : amide:sc= -0.14 K(o=-0.83,f=-1.5) USER MOD Set 1.2: A 92 THR OG1 : rot 140:sc= -0.691 USER MOD Single : A 5 GLN : amide:sc= -0.0155 X(o=-0.015,f=0) USER MOD Single : A 11 THR OG1 : rot 161:sc= -9.95! USER MOD Single : A 14 HIS : no HD1:sc= -9.41! C(o=-9.4!,f=-6.5!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 TYR OH : rot -140:sc= -1.51! USER MOD Single : A 47 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0383) USER MOD Single : A 56 GLN : amide:sc= -0.423 K(o=-0.42,f=-5.3!) USER MOD Single : A 58 THR OG1 : rot -68:sc= 1.05 USER MOD Single : A 62 GLN : amide:sc= -0.654 K(o=-0.65,f=-0.0081) USER MOD Single : A 63 ASN : amide:sc= 0.24 K(o=0.24,f=-7.4!) USER MOD Single : A 64 GLN : amide:sc= -1.27 X(o=-1.3,f=-1.5) USER MOD Single : A 72 LYS NZ :NH3+ 153:sc= -0.671 (180deg=-2.17!) USER MOD Single : A 74 CYS SG : rot 180:sc= -3.01! USER MOD Single : A 80 LYS NZ :NH3+ 153:sc= -0.711 (180deg=-1.86) USER MOD Single : A 84 THR OG1 : rot -25:sc= -0.545 USER MOD Single : A 91 THR OG1 : rot 64:sc= 0.461 USER MOD Single : A 96 TYR OH : rot 3:sc= -4.33! USER MOD ----------------------------------------------------------------- ATOM 55 N GLN A 5 3.109 31.219 -10.977 1.00 0.00 N ATOM 56 CA GLN A 5 1.757 31.744 -11.328 1.00 0.00 C ATOM 57 C GLN A 5 1.083 32.351 -10.093 1.00 0.00 C ATOM 58 O GLN A 5 1.677 32.460 -9.038 1.00 0.00 O ATOM 59 CB GLN A 5 0.977 30.526 -11.819 1.00 0.00 C ATOM 60 CG GLN A 5 0.681 30.676 -13.312 1.00 0.00 C ATOM 61 CD GLN A 5 1.234 29.464 -14.064 1.00 0.00 C ATOM 62 OE1 GLN A 5 2.062 29.605 -14.942 1.00 0.00 O ATOM 63 NE2 GLN A 5 0.808 28.269 -13.754 1.00 0.00 N ATOM 0 HA GLN A 5 1.804 32.531 -12.080 1.00 0.00 H new ATOM 0 HB2 GLN A 5 1.552 29.617 -11.641 1.00 0.00 H new ATOM 0 HB3 GLN A 5 0.046 30.428 -11.261 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -0.394 30.759 -13.474 1.00 0.00 H new ATOM 0 HG3 GLN A 5 1.133 31.592 -13.693 1.00 0.00 H new ATOM 0 HE21 GLN A 5 0.113 28.151 -13.017 1.00 0.00 H new ATOM 0 HE22 GLN A 5 1.170 27.454 -14.249 1.00 0.00 H new ATOM 72 N VAL A 6 -0.157 32.743 -10.216 1.00 0.00 N ATOM 73 CA VAL A 6 -0.876 33.335 -9.050 1.00 0.00 C ATOM 74 C VAL A 6 -2.010 32.403 -8.615 1.00 0.00 C ATOM 75 O VAL A 6 -2.444 31.557 -9.371 1.00 0.00 O ATOM 76 CB VAL A 6 -1.433 34.667 -9.557 1.00 0.00 C ATOM 77 CG1 VAL A 6 -2.455 35.207 -8.556 1.00 0.00 C ATOM 78 CG2 VAL A 6 -0.289 35.672 -9.706 1.00 0.00 C ATOM 0 H VAL A 6 -0.704 32.679 -11.075 1.00 0.00 H new ATOM 0 HA VAL A 6 -0.226 33.476 -8.186 1.00 0.00 H new ATOM 0 HB VAL A 6 -1.915 34.515 -10.523 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -2.852 36.156 -8.917 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -3.270 34.491 -8.446 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -1.973 35.359 -7.590 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -0.684 36.622 -10.067 1.00 0.00 H new ATOM 0 HG22 VAL A 6 0.191 35.823 -8.739 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.442 35.289 -10.418 1.00 0.00 H new ATOM 88 N VAL A 7 -2.480 32.546 -7.401 1.00 0.00 N ATOM 89 CA VAL A 7 -3.580 31.662 -6.900 1.00 0.00 C ATOM 90 C VAL A 7 -4.566 31.328 -8.024 1.00 0.00 C ATOM 91 O VAL A 7 -5.432 32.110 -8.361 1.00 0.00 O ATOM 92 CB VAL A 7 -4.274 32.465 -5.800 1.00 0.00 C ATOM 93 CG1 VAL A 7 -5.289 31.572 -5.081 1.00 0.00 C ATOM 94 CG2 VAL A 7 -3.232 32.960 -4.795 1.00 0.00 C ATOM 0 H VAL A 7 -2.148 33.240 -6.731 1.00 0.00 H new ATOM 0 HA VAL A 7 -3.195 30.711 -6.531 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.788 33.319 -6.242 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.785 32.143 -4.296 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -6.032 31.217 -5.796 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -4.774 30.719 -4.639 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -3.727 33.533 -4.010 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -2.719 32.106 -4.352 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -2.507 33.594 -5.305 1.00 0.00 H new ATOM 104 N LEU A 8 -4.430 30.170 -8.608 1.00 0.00 N ATOM 105 CA LEU A 8 -5.343 29.772 -9.717 1.00 0.00 C ATOM 106 C LEU A 8 -6.804 30.041 -9.344 1.00 0.00 C ATOM 107 O LEU A 8 -7.182 29.939 -8.194 1.00 0.00 O ATOM 108 CB LEU A 8 -5.101 28.275 -9.897 1.00 0.00 C ATOM 109 CG LEU A 8 -4.307 28.043 -11.183 1.00 0.00 C ATOM 110 CD1 LEU A 8 -3.028 28.881 -11.146 1.00 0.00 C ATOM 111 CD2 LEU A 8 -3.941 26.562 -11.298 1.00 0.00 C ATOM 0 H LEU A 8 -3.722 29.478 -8.364 1.00 0.00 H new ATOM 0 HA LEU A 8 -5.151 30.336 -10.630 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -4.554 27.878 -9.042 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -6.052 27.744 -9.942 1.00 0.00 H new ATOM 0 HG LEU A 8 -4.912 28.335 -12.042 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -2.459 28.718 -12.062 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -3.287 29.937 -11.063 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.425 28.587 -10.287 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -3.375 26.397 -12.215 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -3.336 26.269 -10.440 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -4.851 25.963 -11.321 1.00 0.00 H new ATOM 123 N PRO A 9 -7.577 30.376 -10.343 1.00 0.00 N ATOM 124 CA PRO A 9 -9.014 30.664 -10.135 1.00 0.00 C ATOM 125 C PRO A 9 -9.802 29.361 -9.962 1.00 0.00 C ATOM 126 O PRO A 9 -10.592 28.985 -10.806 1.00 0.00 O ATOM 127 CB PRO A 9 -9.425 31.376 -11.418 1.00 0.00 C ATOM 128 CG PRO A 9 -8.455 30.908 -12.457 1.00 0.00 C ATOM 129 CD PRO A 9 -7.182 30.516 -11.748 1.00 0.00 C ATOM 0 HA PRO A 9 -9.206 31.258 -9.241 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -10.449 31.127 -11.695 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -9.382 32.459 -11.298 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -8.863 30.061 -13.008 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -8.261 31.697 -13.183 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -6.778 29.583 -12.142 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -6.409 31.275 -11.870 1.00 0.00 H new ATOM 137 N ASN A 10 -9.599 28.673 -8.871 1.00 0.00 N ATOM 138 CA ASN A 10 -10.339 27.396 -8.639 1.00 0.00 C ATOM 139 C ASN A 10 -9.892 26.320 -9.637 1.00 0.00 C ATOM 140 O ASN A 10 -10.703 25.663 -10.255 1.00 0.00 O ATOM 141 CB ASN A 10 -11.815 27.744 -8.849 1.00 0.00 C ATOM 142 CG ASN A 10 -12.577 27.539 -7.539 1.00 0.00 C ATOM 143 OD1 ASN A 10 -12.042 27.761 -6.470 1.00 0.00 O ATOM 144 ND2 ASN A 10 -13.812 27.121 -7.576 1.00 0.00 N ATOM 0 H ASN A 10 -8.952 28.939 -8.129 1.00 0.00 H new ATOM 0 HA ASN A 10 -10.152 26.994 -7.643 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -11.913 28.778 -9.181 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -12.240 27.116 -9.632 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -14.329 26.980 -6.708 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -14.261 26.935 -8.473 1.00 0.00 H new ATOM 151 N THR A 11 -8.609 26.129 -9.787 1.00 0.00 N ATOM 152 CA THR A 11 -8.113 25.086 -10.735 1.00 0.00 C ATOM 153 C THR A 11 -6.957 24.308 -10.093 1.00 0.00 C ATOM 154 O THR A 11 -6.473 24.667 -9.038 1.00 0.00 O ATOM 155 CB THR A 11 -7.635 25.858 -11.968 1.00 0.00 C ATOM 156 OG1 THR A 11 -6.471 26.598 -11.640 1.00 0.00 O ATOM 157 CG2 THR A 11 -8.734 26.814 -12.436 1.00 0.00 C ATOM 0 H THR A 11 -7.882 26.649 -9.295 1.00 0.00 H new ATOM 0 HA THR A 11 -8.882 24.358 -10.994 1.00 0.00 H new ATOM 0 HB THR A 11 -7.406 25.154 -12.768 1.00 0.00 H new ATOM 0 HG1 THR A 11 -5.994 26.839 -12.462 1.00 0.00 H new ATOM 0 HG21 THR A 11 -8.390 27.362 -13.314 1.00 0.00 H new ATOM 0 HG22 THR A 11 -9.628 26.244 -12.691 1.00 0.00 H new ATOM 0 HG23 THR A 11 -8.968 27.518 -11.638 1.00 0.00 H new ATOM 165 N ALA A 12 -6.512 23.243 -10.710 1.00 0.00 N ATOM 166 CA ALA A 12 -5.392 22.455 -10.109 1.00 0.00 C ATOM 167 C ALA A 12 -4.472 21.899 -11.200 1.00 0.00 C ATOM 168 O ALA A 12 -4.842 21.819 -12.354 1.00 0.00 O ATOM 169 CB ALA A 12 -6.070 21.308 -9.356 1.00 0.00 C ATOM 0 H ALA A 12 -6.871 22.887 -11.596 1.00 0.00 H new ATOM 0 HA ALA A 12 -4.772 23.069 -9.456 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -5.311 20.683 -8.886 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -6.730 21.715 -8.590 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -6.653 20.708 -10.055 1.00 0.00 H new ATOM 175 N LEU A 13 -3.276 21.507 -10.842 1.00 0.00 N ATOM 176 CA LEU A 13 -2.339 20.945 -11.867 1.00 0.00 C ATOM 177 C LEU A 13 -1.674 19.662 -11.340 1.00 0.00 C ATOM 178 O LEU A 13 -1.513 19.481 -10.149 1.00 0.00 O ATOM 179 CB LEU A 13 -1.326 22.079 -12.153 1.00 0.00 C ATOM 180 CG LEU A 13 0.001 21.895 -11.390 1.00 0.00 C ATOM 181 CD1 LEU A 13 1.160 22.345 -12.279 1.00 0.00 C ATOM 182 CD2 LEU A 13 -0.016 22.753 -10.124 1.00 0.00 C ATOM 0 H LEU A 13 -2.908 21.550 -9.892 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.843 20.646 -12.786 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.123 22.118 -13.223 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.770 23.036 -11.877 1.00 0.00 H new ATOM 0 HG LEU A 13 0.123 20.846 -11.122 1.00 0.00 H new ATOM 0 HD11 LEU A 13 2.101 22.217 -11.743 1.00 0.00 H new ATOM 0 HD12 LEU A 13 1.175 21.744 -13.188 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.032 23.395 -12.540 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.922 22.623 -9.584 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.136 23.802 -10.397 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.846 22.446 -9.488 1.00 0.00 H new ATOM 194 N HIS A 14 -1.295 18.768 -12.218 1.00 0.00 N ATOM 195 CA HIS A 14 -0.648 17.495 -11.762 1.00 0.00 C ATOM 196 C HIS A 14 0.869 17.674 -11.631 1.00 0.00 C ATOM 197 O HIS A 14 1.533 18.124 -12.547 1.00 0.00 O ATOM 198 CB HIS A 14 -0.956 16.459 -12.848 1.00 0.00 C ATOM 199 CG HIS A 14 -2.442 16.295 -13.001 1.00 0.00 C ATOM 200 ND1 HIS A 14 -3.013 15.103 -13.413 1.00 0.00 N ATOM 201 CD2 HIS A 14 -3.485 17.165 -12.811 1.00 0.00 C ATOM 202 CE1 HIS A 14 -4.345 15.286 -13.459 1.00 0.00 C ATOM 203 NE2 HIS A 14 -4.687 16.526 -13.101 1.00 0.00 N ATOM 0 H HIS A 14 -1.404 18.862 -13.228 1.00 0.00 H new ATOM 0 HA HIS A 14 -1.024 17.190 -10.785 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -0.518 16.773 -13.795 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -0.502 15.503 -12.588 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -3.388 18.190 -12.486 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -5.052 14.523 -13.750 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -5.626 16.920 -13.051 1.00 0.00 H new ATOM 211 N LEU A 15 1.420 17.317 -10.497 1.00 0.00 N ATOM 212 CA LEU A 15 2.893 17.455 -10.292 1.00 0.00 C ATOM 213 C LEU A 15 3.540 16.082 -10.098 1.00 0.00 C ATOM 214 O LEU A 15 2.951 15.188 -9.527 1.00 0.00 O ATOM 215 CB LEU A 15 3.052 18.252 -8.998 1.00 0.00 C ATOM 216 CG LEU A 15 2.560 19.684 -9.183 1.00 0.00 C ATOM 217 CD1 LEU A 15 3.046 20.233 -10.525 1.00 0.00 C ATOM 218 CD2 LEU A 15 1.032 19.702 -9.140 1.00 0.00 C ATOM 0 H LEU A 15 0.909 16.934 -9.701 1.00 0.00 H new ATOM 0 HA LEU A 15 3.364 17.935 -11.150 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.491 17.770 -8.197 1.00 0.00 H new ATOM 0 HB3 LEU A 15 4.099 18.258 -8.695 1.00 0.00 H new ATOM 0 HG LEU A 15 2.955 20.309 -8.382 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.691 21.256 -10.650 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.136 20.222 -10.550 1.00 0.00 H new ATOM 0 HD13 LEU A 15 2.659 19.613 -11.334 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.676 20.724 -9.272 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.638 19.075 -9.940 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.691 19.320 -8.178 1.00 0.00 H new ATOM 230 N LYS A 16 4.762 15.919 -10.528 1.00 0.00 N ATOM 231 CA LYS A 16 5.441 14.612 -10.311 1.00 0.00 C ATOM 232 C LYS A 16 6.614 14.817 -9.355 1.00 0.00 C ATOM 233 O LYS A 16 7.547 15.535 -9.654 1.00 0.00 O ATOM 234 CB LYS A 16 5.951 14.153 -11.677 1.00 0.00 C ATOM 235 CG LYS A 16 5.486 12.716 -11.933 1.00 0.00 C ATOM 236 CD LYS A 16 6.344 12.087 -13.033 1.00 0.00 C ATOM 237 CE LYS A 16 6.018 12.744 -14.376 1.00 0.00 C ATOM 238 NZ LYS A 16 7.264 12.613 -15.181 1.00 0.00 N ATOM 0 H LYS A 16 5.313 16.626 -11.015 1.00 0.00 H new ATOM 0 HA LYS A 16 4.768 13.870 -9.880 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.576 14.814 -12.459 1.00 0.00 H new ATOM 0 HB3 LYS A 16 7.039 14.207 -11.709 1.00 0.00 H new ATOM 0 HG2 LYS A 16 5.563 12.130 -11.017 1.00 0.00 H new ATOM 0 HG3 LYS A 16 4.437 12.710 -12.228 1.00 0.00 H new ATOM 0 HD2 LYS A 16 7.401 12.215 -12.801 1.00 0.00 H new ATOM 0 HD3 LYS A 16 6.156 11.015 -13.086 1.00 0.00 H new ATOM 0 HE2 LYS A 16 5.179 12.249 -14.864 1.00 0.00 H new ATOM 0 HE3 LYS A 16 5.740 13.790 -14.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 7.119 13.041 -16.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 8.044 13.100 -14.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 7.500 11.606 -15.293 1.00 0.00 H new ATOM 252 N ALA A 17 6.581 14.206 -8.207 1.00 0.00 N ATOM 253 CA ALA A 17 7.704 14.395 -7.251 1.00 0.00 C ATOM 254 C ALA A 17 8.877 13.499 -7.642 1.00 0.00 C ATOM 255 O ALA A 17 8.753 12.291 -7.724 1.00 0.00 O ATOM 256 CB ALA A 17 7.149 14.003 -5.881 1.00 0.00 C ATOM 0 H ALA A 17 5.833 13.589 -7.891 1.00 0.00 H new ATOM 0 HA ALA A 17 8.074 15.420 -7.248 1.00 0.00 H new ATOM 0 HB1 ALA A 17 7.927 14.119 -5.126 1.00 0.00 H new ATOM 0 HB2 ALA A 17 6.304 14.646 -5.633 1.00 0.00 H new ATOM 0 HB3 ALA A 17 6.819 12.964 -5.906 1.00 0.00 H new ATOM 262 N LEU A 18 10.012 14.087 -7.882 1.00 0.00 N ATOM 263 CA LEU A 18 11.201 13.282 -8.268 1.00 0.00 C ATOM 264 C LEU A 18 12.089 13.054 -7.044 1.00 0.00 C ATOM 265 O LEU A 18 12.852 13.911 -6.645 1.00 0.00 O ATOM 266 CB LEU A 18 11.923 14.135 -9.311 1.00 0.00 C ATOM 267 CG LEU A 18 10.959 14.477 -10.448 1.00 0.00 C ATOM 268 CD1 LEU A 18 11.689 15.311 -11.501 1.00 0.00 C ATOM 269 CD2 LEU A 18 10.444 13.184 -11.087 1.00 0.00 C ATOM 0 H LEU A 18 10.169 15.093 -7.827 1.00 0.00 H new ATOM 0 HA LEU A 18 10.939 12.299 -8.659 1.00 0.00 H new ATOM 0 HB2 LEU A 18 12.299 15.049 -8.851 1.00 0.00 H new ATOM 0 HB3 LEU A 18 12.786 13.597 -9.702 1.00 0.00 H new ATOM 0 HG LEU A 18 10.118 15.047 -10.053 1.00 0.00 H new ATOM 0 HD11 LEU A 18 11.003 15.555 -12.312 1.00 0.00 H new ATOM 0 HD12 LEU A 18 12.055 16.231 -11.046 1.00 0.00 H new ATOM 0 HD13 LEU A 18 12.530 14.742 -11.897 1.00 0.00 H new ATOM 0 HD21 LEU A 18 9.757 13.427 -11.897 1.00 0.00 H new ATOM 0 HD22 LEU A 18 11.284 12.614 -11.483 1.00 0.00 H new ATOM 0 HD23 LEU A 18 9.924 12.589 -10.336 1.00 0.00 H new ATOM 281 N LEU A 19 11.987 11.902 -6.446 1.00 0.00 N ATOM 282 CA LEU A 19 12.813 11.601 -5.244 1.00 0.00 C ATOM 283 C LEU A 19 12.753 10.103 -4.940 1.00 0.00 C ATOM 284 O LEU A 19 11.690 9.518 -4.879 1.00 0.00 O ATOM 285 CB LEU A 19 12.164 12.406 -4.117 1.00 0.00 C ATOM 286 CG LEU A 19 13.224 12.826 -3.098 1.00 0.00 C ATOM 287 CD1 LEU A 19 13.762 11.588 -2.378 1.00 0.00 C ATOM 288 CD2 LEU A 19 14.371 13.540 -3.817 1.00 0.00 C ATOM 0 H LEU A 19 11.363 11.150 -6.740 1.00 0.00 H new ATOM 0 HA LEU A 19 13.864 11.860 -5.376 1.00 0.00 H new ATOM 0 HB2 LEU A 19 11.671 13.288 -4.526 1.00 0.00 H new ATOM 0 HB3 LEU A 19 11.394 11.808 -3.628 1.00 0.00 H new ATOM 0 HG LEU A 19 12.777 13.502 -2.369 1.00 0.00 H new ATOM 0 HD11 LEU A 19 14.517 11.889 -1.652 1.00 0.00 H new ATOM 0 HD12 LEU A 19 12.945 11.083 -1.863 1.00 0.00 H new ATOM 0 HD13 LEU A 19 14.208 10.909 -3.105 1.00 0.00 H new ATOM 0 HD21 LEU A 19 15.126 13.839 -3.090 1.00 0.00 H new ATOM 0 HD22 LEU A 19 14.818 12.866 -4.548 1.00 0.00 H new ATOM 0 HD23 LEU A 19 13.987 14.424 -4.326 1.00 0.00 H new ATOM 300 N ASP A 20 13.879 9.474 -4.752 1.00 0.00 N ATOM 301 CA ASP A 20 13.866 8.013 -4.455 1.00 0.00 C ATOM 302 C ASP A 20 13.338 7.771 -3.040 1.00 0.00 C ATOM 303 O ASP A 20 14.043 7.940 -2.065 1.00 0.00 O ATOM 304 CB ASP A 20 15.323 7.569 -4.570 1.00 0.00 C ATOM 305 CG ASP A 20 15.453 6.530 -5.687 1.00 0.00 C ATOM 306 OD1 ASP A 20 15.367 6.917 -6.841 1.00 0.00 O ATOM 307 OD2 ASP A 20 15.634 5.367 -5.369 1.00 0.00 O ATOM 0 H ASP A 20 14.803 9.904 -4.791 1.00 0.00 H new ATOM 0 HA ASP A 20 13.220 7.458 -5.135 1.00 0.00 H new ATOM 0 HB2 ASP A 20 15.960 8.428 -4.781 1.00 0.00 H new ATOM 0 HB3 ASP A 20 15.661 7.146 -3.624 1.00 0.00 H new ATOM 312 N PHE A 21 12.099 7.378 -2.920 1.00 0.00 N ATOM 313 CA PHE A 21 11.522 7.127 -1.568 1.00 0.00 C ATOM 314 C PHE A 21 10.851 5.751 -1.533 1.00 0.00 C ATOM 315 O PHE A 21 9.641 5.641 -1.491 1.00 0.00 O ATOM 316 CB PHE A 21 10.486 8.235 -1.370 1.00 0.00 C ATOM 317 CG PHE A 21 10.801 9.005 -0.112 1.00 0.00 C ATOM 318 CD1 PHE A 21 11.276 8.333 1.020 1.00 0.00 C ATOM 319 CD2 PHE A 21 10.617 10.393 -0.076 1.00 0.00 C ATOM 320 CE1 PHE A 21 11.569 9.048 2.187 1.00 0.00 C ATOM 321 CE2 PHE A 21 10.909 11.108 1.091 1.00 0.00 C ATOM 322 CZ PHE A 21 11.385 10.435 2.222 1.00 0.00 C ATOM 0 H PHE A 21 11.461 7.220 -3.700 1.00 0.00 H new ATOM 0 HA PHE A 21 12.279 7.133 -0.784 1.00 0.00 H new ATOM 0 HB2 PHE A 21 10.488 8.906 -2.229 1.00 0.00 H new ATOM 0 HB3 PHE A 21 9.487 7.805 -1.304 1.00 0.00 H new ATOM 0 HD1 PHE A 21 11.416 7.263 0.993 1.00 0.00 H new ATOM 0 HD2 PHE A 21 10.250 10.912 -0.949 1.00 0.00 H new ATOM 0 HE1 PHE A 21 11.937 8.530 3.060 1.00 0.00 H new ATOM 0 HE2 PHE A 21 10.767 12.178 1.119 1.00 0.00 H new ATOM 0 HZ PHE A 21 11.611 10.987 3.123 1.00 0.00 H new ATOM 434 N VAL A 29 7.552 5.058 -3.391 1.00 0.00 N ATOM 435 CA VAL A 29 7.782 6.065 -4.470 1.00 0.00 C ATOM 436 C VAL A 29 9.247 5.998 -4.918 1.00 0.00 C ATOM 437 O VAL A 29 10.148 5.894 -4.108 1.00 0.00 O ATOM 438 CB VAL A 29 7.415 7.455 -3.871 1.00 0.00 C ATOM 439 CG1 VAL A 29 6.822 7.308 -2.464 1.00 0.00 C ATOM 440 CG2 VAL A 29 8.651 8.363 -3.792 1.00 0.00 C ATOM 0 HA VAL A 29 7.170 5.876 -5.352 1.00 0.00 H new ATOM 0 HB VAL A 29 6.674 7.905 -4.532 1.00 0.00 H new ATOM 0 HG11 VAL A 29 6.574 8.293 -2.069 1.00 0.00 H new ATOM 0 HG12 VAL A 29 5.919 6.699 -2.511 1.00 0.00 H new ATOM 0 HG13 VAL A 29 7.550 6.827 -1.811 1.00 0.00 H new ATOM 0 HG21 VAL A 29 8.368 9.327 -3.370 1.00 0.00 H new ATOM 0 HG22 VAL A 29 9.405 7.897 -3.158 1.00 0.00 H new ATOM 0 HG23 VAL A 29 9.059 8.510 -4.792 1.00 0.00 H new ATOM 450 N VAL A 30 9.493 6.050 -6.196 1.00 0.00 N ATOM 451 CA VAL A 30 10.899 5.982 -6.681 1.00 0.00 C ATOM 452 C VAL A 30 11.121 6.973 -7.822 1.00 0.00 C ATOM 453 O VAL A 30 10.945 6.653 -8.981 1.00 0.00 O ATOM 454 CB VAL A 30 11.071 4.548 -7.175 1.00 0.00 C ATOM 455 CG1 VAL A 30 10.900 3.581 -6.001 1.00 0.00 C ATOM 456 CG2 VAL A 30 10.015 4.248 -8.240 1.00 0.00 C ATOM 0 H VAL A 30 8.784 6.136 -6.924 1.00 0.00 H new ATOM 0 HA VAL A 30 11.617 6.238 -5.902 1.00 0.00 H new ATOM 0 HB VAL A 30 12.066 4.427 -7.604 1.00 0.00 H new ATOM 0 HG11 VAL A 30 11.023 2.557 -6.353 1.00 0.00 H new ATOM 0 HG12 VAL A 30 11.651 3.796 -5.240 1.00 0.00 H new ATOM 0 HG13 VAL A 30 9.905 3.701 -5.573 1.00 0.00 H new ATOM 0 HG21 VAL A 30 10.136 3.224 -8.594 1.00 0.00 H new ATOM 0 HG22 VAL A 30 9.021 4.368 -7.810 1.00 0.00 H new ATOM 0 HG23 VAL A 30 10.135 4.938 -9.076 1.00 0.00 H new ATOM 466 N ALA A 31 11.515 8.174 -7.503 1.00 0.00 N ATOM 467 CA ALA A 31 11.757 9.184 -8.571 1.00 0.00 C ATOM 468 C ALA A 31 10.597 9.194 -9.570 1.00 0.00 C ATOM 469 O ALA A 31 10.800 9.096 -10.764 1.00 0.00 O ATOM 470 CB ALA A 31 13.046 8.726 -9.252 1.00 0.00 C ATOM 0 H ALA A 31 11.680 8.500 -6.551 1.00 0.00 H new ATOM 0 HA ALA A 31 11.837 10.196 -8.174 1.00 0.00 H new ATOM 0 HB1 ALA A 31 13.298 9.418 -10.056 1.00 0.00 H new ATOM 0 HB2 ALA A 31 13.856 8.706 -8.523 1.00 0.00 H new ATOM 0 HB3 ALA A 31 12.905 7.727 -9.664 1.00 0.00 H new ATOM 476 N GLY A 32 9.383 9.308 -9.099 1.00 0.00 N ATOM 477 CA GLY A 32 8.234 9.317 -10.048 1.00 0.00 C ATOM 478 C GLY A 32 6.910 9.540 -9.308 1.00 0.00 C ATOM 479 O GLY A 32 5.861 9.157 -9.787 1.00 0.00 O ATOM 0 H GLY A 32 9.140 9.394 -8.112 1.00 0.00 H new ATOM 0 HA2 GLY A 32 8.377 10.103 -10.790 1.00 0.00 H new ATOM 0 HA3 GLY A 32 8.197 8.371 -10.589 1.00 0.00 H new ATOM 483 N ASP A 33 6.926 10.168 -8.161 1.00 0.00 N ATOM 484 CA ASP A 33 5.634 10.405 -7.447 1.00 0.00 C ATOM 485 C ASP A 33 4.786 11.377 -8.263 1.00 0.00 C ATOM 486 O ASP A 33 5.309 12.217 -8.959 1.00 0.00 O ATOM 487 CB ASP A 33 6.008 11.027 -6.099 1.00 0.00 C ATOM 488 CG ASP A 33 4.782 11.713 -5.486 1.00 0.00 C ATOM 489 OD1 ASP A 33 4.282 12.644 -6.093 1.00 0.00 O ATOM 490 OD2 ASP A 33 4.366 11.293 -4.419 1.00 0.00 O ATOM 0 H ASP A 33 7.761 10.522 -7.694 1.00 0.00 H new ATOM 0 HA ASP A 33 5.061 9.488 -7.310 1.00 0.00 H new ATOM 0 HB2 ASP A 33 6.381 10.257 -5.424 1.00 0.00 H new ATOM 0 HB3 ASP A 33 6.812 11.751 -6.233 1.00 0.00 H new ATOM 495 N GLU A 34 3.487 11.273 -8.189 1.00 0.00 N ATOM 496 CA GLU A 34 2.624 12.204 -8.972 1.00 0.00 C ATOM 497 C GLU A 34 1.310 12.471 -8.231 1.00 0.00 C ATOM 498 O GLU A 34 0.707 11.577 -7.671 1.00 0.00 O ATOM 499 CB GLU A 34 2.357 11.482 -10.294 1.00 0.00 C ATOM 500 CG GLU A 34 1.991 10.022 -10.017 1.00 0.00 C ATOM 501 CD GLU A 34 3.235 9.146 -10.172 1.00 0.00 C ATOM 502 OE1 GLU A 34 3.793 9.131 -11.257 1.00 0.00 O ATOM 503 OE2 GLU A 34 3.607 8.503 -9.205 1.00 0.00 O ATOM 0 H GLU A 34 2.987 10.587 -7.623 1.00 0.00 H new ATOM 0 HA GLU A 34 3.101 13.172 -9.124 1.00 0.00 H new ATOM 0 HB2 GLU A 34 1.547 11.975 -10.832 1.00 0.00 H new ATOM 0 HB3 GLU A 34 3.240 11.531 -10.932 1.00 0.00 H new ATOM 0 HG2 GLU A 34 1.586 9.922 -9.010 1.00 0.00 H new ATOM 0 HG3 GLU A 34 1.214 9.694 -10.707 1.00 0.00 H new ATOM 510 N TRP A 35 0.860 13.697 -8.232 1.00 0.00 N ATOM 511 CA TRP A 35 -0.418 14.032 -7.539 1.00 0.00 C ATOM 512 C TRP A 35 -0.987 15.336 -8.102 1.00 0.00 C ATOM 513 O TRP A 35 -0.300 16.084 -8.768 1.00 0.00 O ATOM 514 CB TRP A 35 -0.051 14.187 -6.057 1.00 0.00 C ATOM 515 CG TRP A 35 0.597 15.516 -5.820 1.00 0.00 C ATOM 516 CD1 TRP A 35 -0.033 16.613 -5.339 1.00 0.00 C ATOM 517 CD2 TRP A 35 1.985 15.906 -6.037 1.00 0.00 C ATOM 518 NE1 TRP A 35 0.877 17.652 -5.253 1.00 0.00 N ATOM 519 CE2 TRP A 35 2.135 17.265 -5.671 1.00 0.00 C ATOM 520 CE3 TRP A 35 3.116 15.220 -6.511 1.00 0.00 C ATOM 521 CZ2 TRP A 35 3.364 17.920 -5.773 1.00 0.00 C ATOM 522 CZ3 TRP A 35 4.352 15.877 -6.615 1.00 0.00 C ATOM 523 CH2 TRP A 35 4.477 17.222 -6.248 1.00 0.00 C ATOM 0 H TRP A 35 1.324 14.484 -8.685 1.00 0.00 H new ATOM 0 HA TRP A 35 -1.180 13.265 -7.679 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -0.946 14.096 -5.442 1.00 0.00 H new ATOM 0 HB3 TRP A 35 0.625 13.386 -5.757 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -1.077 16.669 -5.067 1.00 0.00 H new ATOM 0 HE1 TRP A 35 0.647 18.589 -4.922 1.00 0.00 H new ATOM 0 HE3 TRP A 35 3.034 14.182 -6.797 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 3.453 18.958 -5.487 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 5.214 15.340 -6.981 1.00 0.00 H new ATOM 0 HH2 TRP A 35 5.432 17.719 -6.332 1.00 0.00 H new ATOM 534 N LEU A 36 -2.231 15.622 -7.840 1.00 0.00 N ATOM 535 CA LEU A 36 -2.821 16.886 -8.367 1.00 0.00 C ATOM 536 C LEU A 36 -2.632 18.009 -7.343 1.00 0.00 C ATOM 537 O LEU A 36 -2.480 17.762 -6.164 1.00 0.00 O ATOM 538 CB LEU A 36 -4.309 16.591 -8.573 1.00 0.00 C ATOM 539 CG LEU A 36 -5.025 17.862 -9.044 1.00 0.00 C ATOM 540 CD1 LEU A 36 -4.510 18.259 -10.430 1.00 0.00 C ATOM 541 CD2 LEU A 36 -6.531 17.600 -9.118 1.00 0.00 C ATOM 0 H LEU A 36 -2.862 15.041 -7.288 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.348 17.207 -9.295 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -4.434 15.797 -9.309 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.752 16.236 -7.643 1.00 0.00 H new ATOM 0 HG LEU A 36 -4.828 18.670 -8.339 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -5.020 19.163 -10.763 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.437 18.446 -10.380 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.705 17.451 -11.136 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -7.041 18.503 -9.453 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -6.725 16.791 -9.822 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -6.900 17.319 -8.132 1.00 0.00 H new ATOM 553 N PHE A 37 -2.637 19.237 -7.777 1.00 0.00 N ATOM 554 CA PHE A 37 -2.451 20.360 -6.816 1.00 0.00 C ATOM 555 C PHE A 37 -3.596 21.364 -6.950 1.00 0.00 C ATOM 556 O PHE A 37 -3.745 22.017 -7.966 1.00 0.00 O ATOM 557 CB PHE A 37 -1.121 21.006 -7.208 1.00 0.00 C ATOM 558 CG PHE A 37 -0.638 21.928 -6.107 1.00 0.00 C ATOM 559 CD1 PHE A 37 -1.452 22.201 -4.999 1.00 0.00 C ATOM 560 CD2 PHE A 37 0.632 22.511 -6.200 1.00 0.00 C ATOM 561 CE1 PHE A 37 -0.994 23.053 -3.986 1.00 0.00 C ATOM 562 CE2 PHE A 37 1.088 23.363 -5.188 1.00 0.00 C ATOM 563 CZ PHE A 37 0.276 23.634 -4.082 1.00 0.00 C ATOM 0 H PHE A 37 -2.761 19.512 -8.751 1.00 0.00 H new ATOM 0 HA PHE A 37 -2.446 20.019 -5.781 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -0.376 20.233 -7.397 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -1.241 21.567 -8.135 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -2.433 21.754 -4.926 1.00 0.00 H new ATOM 0 HD2 PHE A 37 1.260 22.303 -7.054 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -1.620 23.262 -3.131 1.00 0.00 H new ATOM 0 HE2 PHE A 37 2.068 23.812 -5.261 1.00 0.00 H new ATOM 0 HZ PHE A 37 0.629 24.292 -3.302 1.00 0.00 H new ATOM 573 N GLU A 38 -4.401 21.486 -5.926 1.00 0.00 N ATOM 574 CA GLU A 38 -5.542 22.444 -5.972 1.00 0.00 C ATOM 575 C GLU A 38 -5.067 23.843 -5.571 1.00 0.00 C ATOM 576 O GLU A 38 -4.419 24.023 -4.560 1.00 0.00 O ATOM 577 CB GLU A 38 -6.548 21.906 -4.953 1.00 0.00 C ATOM 578 CG GLU A 38 -7.749 22.850 -4.870 1.00 0.00 C ATOM 579 CD GLU A 38 -8.175 23.012 -3.408 1.00 0.00 C ATOM 580 OE1 GLU A 38 -7.751 22.207 -2.595 1.00 0.00 O ATOM 581 OE2 GLU A 38 -8.917 23.939 -3.128 1.00 0.00 O ATOM 0 H GLU A 38 -4.315 20.960 -5.056 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.976 22.528 -6.968 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.876 20.908 -5.243 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.076 21.814 -3.975 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -7.491 23.821 -5.294 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -8.577 22.454 -5.459 1.00 0.00 H new ATOM 588 N GLY A 39 -5.374 24.833 -6.363 1.00 0.00 N ATOM 589 CA GLY A 39 -4.931 26.216 -6.036 1.00 0.00 C ATOM 590 C GLY A 39 -3.401 26.298 -6.082 1.00 0.00 C ATOM 591 O GLY A 39 -2.790 26.887 -5.212 1.00 0.00 O ATOM 0 H GLY A 39 -5.914 24.743 -7.224 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -5.363 26.923 -6.744 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -5.289 26.498 -5.046 1.00 0.00 H new ATOM 595 N PRO A 40 -2.824 25.711 -7.105 1.00 0.00 N ATOM 596 CA PRO A 40 -1.346 25.735 -7.264 1.00 0.00 C ATOM 597 C PRO A 40 -0.875 27.096 -7.797 1.00 0.00 C ATOM 598 O PRO A 40 0.218 27.224 -8.306 1.00 0.00 O ATOM 599 CB PRO A 40 -1.083 24.648 -8.299 1.00 0.00 C ATOM 600 CG PRO A 40 -2.348 24.548 -9.092 1.00 0.00 C ATOM 601 CD PRO A 40 -3.478 24.972 -8.193 1.00 0.00 C ATOM 0 HA PRO A 40 -0.819 25.575 -6.323 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -0.238 24.907 -8.937 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -0.842 23.699 -7.821 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -2.299 25.186 -9.974 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -2.500 23.528 -9.445 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -4.194 25.599 -8.724 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -4.028 24.111 -7.814 1.00 0.00 H new ATOM 609 N GLY A 41 -1.690 28.111 -7.702 1.00 0.00 N ATOM 610 CA GLY A 41 -1.281 29.447 -8.213 1.00 0.00 C ATOM 611 C GLY A 41 0.109 29.815 -7.689 1.00 0.00 C ATOM 612 O GLY A 41 0.930 30.347 -8.409 1.00 0.00 O ATOM 0 H GLY A 41 -2.623 28.071 -7.292 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.276 29.441 -9.303 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.005 30.200 -7.902 1.00 0.00 H new ATOM 616 N THR A 42 0.380 29.551 -6.439 1.00 0.00 N ATOM 617 CA THR A 42 1.718 29.906 -5.880 1.00 0.00 C ATOM 618 C THR A 42 2.683 28.719 -5.971 1.00 0.00 C ATOM 619 O THR A 42 3.681 28.669 -5.280 1.00 0.00 O ATOM 620 CB THR A 42 1.451 30.267 -4.417 1.00 0.00 C ATOM 621 OG1 THR A 42 1.157 29.086 -3.683 1.00 0.00 O ATOM 622 CG2 THR A 42 0.263 31.228 -4.338 1.00 0.00 C ATOM 0 H THR A 42 -0.263 29.107 -5.783 1.00 0.00 H new ATOM 0 HA THR A 42 2.183 30.724 -6.430 1.00 0.00 H new ATOM 0 HB THR A 42 2.334 30.746 -3.994 1.00 0.00 H new ATOM 0 HG1 THR A 42 0.988 29.317 -2.746 1.00 0.00 H new ATOM 0 HG21 THR A 42 0.072 31.486 -3.296 1.00 0.00 H new ATOM 0 HG22 THR A 42 0.490 32.134 -4.900 1.00 0.00 H new ATOM 0 HG23 THR A 42 -0.620 30.750 -4.761 1.00 0.00 H new ATOM 630 N TYR A 43 2.402 27.769 -6.819 1.00 0.00 N ATOM 631 CA TYR A 43 3.315 26.598 -6.947 1.00 0.00 C ATOM 632 C TYR A 43 4.444 26.919 -7.928 1.00 0.00 C ATOM 633 O TYR A 43 4.218 27.427 -9.008 1.00 0.00 O ATOM 634 CB TYR A 43 2.444 25.458 -7.487 1.00 0.00 C ATOM 635 CG TYR A 43 3.319 24.389 -8.108 1.00 0.00 C ATOM 636 CD1 TYR A 43 3.994 23.474 -7.291 1.00 0.00 C ATOM 637 CD2 TYR A 43 3.452 24.315 -9.501 1.00 0.00 C ATOM 638 CE1 TYR A 43 4.802 22.485 -7.867 1.00 0.00 C ATOM 639 CE2 TYR A 43 4.258 23.325 -10.075 1.00 0.00 C ATOM 640 CZ TYR A 43 4.933 22.411 -9.259 1.00 0.00 C ATOM 641 OH TYR A 43 5.727 21.433 -9.824 1.00 0.00 O ATOM 0 H TYR A 43 1.583 27.752 -7.427 1.00 0.00 H new ATOM 0 HA TYR A 43 3.779 26.334 -5.996 1.00 0.00 H new ATOM 0 HB2 TYR A 43 1.849 25.030 -6.680 1.00 0.00 H new ATOM 0 HB3 TYR A 43 1.744 25.843 -8.229 1.00 0.00 H new ATOM 0 HD1 TYR A 43 3.892 23.531 -6.217 1.00 0.00 H new ATOM 0 HD2 TYR A 43 2.933 25.022 -10.132 1.00 0.00 H new ATOM 0 HE1 TYR A 43 5.324 21.780 -7.237 1.00 0.00 H new ATOM 0 HE2 TYR A 43 4.359 23.267 -11.149 1.00 0.00 H new ATOM 0 HH TYR A 43 6.224 21.811 -10.579 1.00 0.00 H new ATOM 651 N ILE A 44 5.656 26.614 -7.563 1.00 0.00 N ATOM 652 CA ILE A 44 6.801 26.881 -8.475 1.00 0.00 C ATOM 653 C ILE A 44 7.501 25.558 -8.797 1.00 0.00 C ATOM 654 O ILE A 44 7.569 24.676 -7.963 1.00 0.00 O ATOM 655 CB ILE A 44 7.717 27.834 -7.694 1.00 0.00 C ATOM 656 CG1 ILE A 44 7.242 29.275 -7.908 1.00 0.00 C ATOM 657 CG2 ILE A 44 9.163 27.704 -8.182 1.00 0.00 C ATOM 658 CD1 ILE A 44 6.003 29.538 -7.051 1.00 0.00 C ATOM 0 H ILE A 44 5.904 26.190 -6.669 1.00 0.00 H new ATOM 0 HA ILE A 44 6.504 27.322 -9.426 1.00 0.00 H new ATOM 0 HB ILE A 44 7.676 27.577 -6.636 1.00 0.00 H new ATOM 0 HG12 ILE A 44 8.035 29.974 -7.643 1.00 0.00 H new ATOM 0 HG13 ILE A 44 7.011 29.440 -8.960 1.00 0.00 H new ATOM 0 HG21 ILE A 44 9.800 28.386 -7.619 1.00 0.00 H new ATOM 0 HG22 ILE A 44 9.507 26.680 -8.033 1.00 0.00 H new ATOM 0 HG23 ILE A 44 9.213 27.953 -9.242 1.00 0.00 H new ATOM 0 HD11 ILE A 44 5.666 30.563 -7.204 1.00 0.00 H new ATOM 0 HD12 ILE A 44 5.209 28.848 -7.338 1.00 0.00 H new ATOM 0 HD13 ILE A 44 6.250 29.390 -6.000 1.00 0.00 H new ATOM 670 N PRO A 45 7.991 25.459 -10.000 1.00 0.00 N ATOM 671 CA PRO A 45 8.681 24.220 -10.439 1.00 0.00 C ATOM 672 C PRO A 45 9.989 24.026 -9.667 1.00 0.00 C ATOM 673 O PRO A 45 10.948 24.750 -9.855 1.00 0.00 O ATOM 674 CB PRO A 45 8.940 24.464 -11.924 1.00 0.00 C ATOM 675 CG PRO A 45 8.944 25.952 -12.068 1.00 0.00 C ATOM 676 CD PRO A 45 7.960 26.476 -11.058 1.00 0.00 C ATOM 0 HA PRO A 45 8.099 23.316 -10.259 1.00 0.00 H new ATOM 0 HB2 PRO A 45 9.891 24.033 -12.236 1.00 0.00 H new ATOM 0 HB3 PRO A 45 8.166 24.008 -12.541 1.00 0.00 H new ATOM 0 HG2 PRO A 45 9.940 26.357 -11.888 1.00 0.00 H new ATOM 0 HG3 PRO A 45 8.658 26.246 -13.078 1.00 0.00 H new ATOM 0 HD2 PRO A 45 8.252 27.457 -10.682 1.00 0.00 H new ATOM 0 HD3 PRO A 45 6.963 26.582 -11.485 1.00 0.00 H new ATOM 684 N ARG A 46 10.030 23.052 -8.797 1.00 0.00 N ATOM 685 CA ARG A 46 11.270 22.801 -8.004 1.00 0.00 C ATOM 686 C ARG A 46 11.912 21.477 -8.429 1.00 0.00 C ATOM 687 O ARG A 46 11.238 20.553 -8.840 1.00 0.00 O ATOM 688 CB ARG A 46 10.799 22.722 -6.550 1.00 0.00 C ATOM 689 CG ARG A 46 11.579 23.729 -5.703 1.00 0.00 C ATOM 690 CD ARG A 46 11.054 23.701 -4.265 1.00 0.00 C ATOM 691 NE ARG A 46 11.643 22.472 -3.665 1.00 0.00 N ATOM 692 CZ ARG A 46 12.186 22.521 -2.480 1.00 0.00 C ATOM 693 NH1 ARG A 46 11.455 22.802 -1.436 1.00 0.00 N ATOM 694 NH2 ARG A 46 13.463 22.288 -2.338 1.00 0.00 N ATOM 0 H ARG A 46 9.256 22.417 -8.601 1.00 0.00 H new ATOM 0 HA ARG A 46 12.018 23.580 -8.151 1.00 0.00 H new ATOM 0 HB2 ARG A 46 9.731 22.932 -6.491 1.00 0.00 H new ATOM 0 HB3 ARG A 46 10.948 21.714 -6.163 1.00 0.00 H new ATOM 0 HG2 ARG A 46 12.642 23.487 -5.718 1.00 0.00 H new ATOM 0 HG3 ARG A 46 11.474 24.730 -6.121 1.00 0.00 H new ATOM 0 HD2 ARG A 46 11.357 24.593 -3.716 1.00 0.00 H new ATOM 0 HD3 ARG A 46 9.965 23.668 -4.243 1.00 0.00 H new ATOM 0 HE ARG A 46 11.622 21.592 -4.180 1.00 0.00 H new ATOM 0 HH11 ARG A 46 10.457 22.984 -1.546 1.00 0.00 H new ATOM 0 HH12 ARG A 46 11.881 22.840 -0.510 1.00 0.00 H new ATOM 0 HH21 ARG A 46 14.035 22.068 -3.153 1.00 0.00 H new ATOM 0 HH22 ARG A 46 13.888 22.326 -1.412 1.00 0.00 H new ATOM 708 N LYS A 47 13.209 21.380 -8.333 1.00 0.00 N ATOM 709 CA LYS A 47 13.895 20.116 -8.730 1.00 0.00 C ATOM 710 C LYS A 47 13.268 18.920 -8.005 1.00 0.00 C ATOM 711 O LYS A 47 13.270 17.810 -8.501 1.00 0.00 O ATOM 712 CB LYS A 47 15.346 20.305 -8.287 1.00 0.00 C ATOM 713 CG LYS A 47 15.410 20.322 -6.759 1.00 0.00 C ATOM 714 CD LYS A 47 16.778 20.834 -6.307 1.00 0.00 C ATOM 715 CE LYS A 47 16.873 20.758 -4.781 1.00 0.00 C ATOM 716 NZ LYS A 47 17.281 19.355 -4.488 1.00 0.00 N ATOM 0 H LYS A 47 13.825 22.121 -7.997 1.00 0.00 H new ATOM 0 HA LYS A 47 13.812 19.918 -9.799 1.00 0.00 H new ATOM 0 HB2 LYS A 47 15.966 19.499 -8.679 1.00 0.00 H new ATOM 0 HB3 LYS A 47 15.743 21.237 -8.689 1.00 0.00 H new ATOM 0 HG2 LYS A 47 14.622 20.960 -6.359 1.00 0.00 H new ATOM 0 HG3 LYS A 47 15.238 19.320 -6.367 1.00 0.00 H new ATOM 0 HD2 LYS A 47 17.569 20.238 -6.761 1.00 0.00 H new ATOM 0 HD3 LYS A 47 16.922 21.862 -6.640 1.00 0.00 H new ATOM 0 HE2 LYS A 47 17.603 21.470 -4.395 1.00 0.00 H new ATOM 0 HE3 LYS A 47 15.917 20.997 -4.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 17.498 19.261 -3.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 16.505 18.709 -4.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 18.125 19.115 -5.047 1.00 0.00 H new ATOM 730 N GLU A 48 12.737 19.135 -6.832 1.00 0.00 N ATOM 731 CA GLU A 48 12.114 18.011 -6.072 1.00 0.00 C ATOM 732 C GLU A 48 10.965 17.395 -6.872 1.00 0.00 C ATOM 733 O GLU A 48 10.583 16.265 -6.647 1.00 0.00 O ATOM 734 CB GLU A 48 11.588 18.648 -4.786 1.00 0.00 C ATOM 735 CG GLU A 48 11.016 17.561 -3.876 1.00 0.00 C ATOM 736 CD GLU A 48 9.934 18.164 -2.977 1.00 0.00 C ATOM 737 OE1 GLU A 48 9.650 19.340 -3.134 1.00 0.00 O ATOM 738 OE2 GLU A 48 9.407 17.439 -2.149 1.00 0.00 O ATOM 0 H GLU A 48 12.707 20.042 -6.366 1.00 0.00 H new ATOM 0 HA GLU A 48 12.824 17.208 -5.872 1.00 0.00 H new ATOM 0 HB2 GLU A 48 12.391 19.179 -4.275 1.00 0.00 H new ATOM 0 HB3 GLU A 48 10.818 19.383 -5.020 1.00 0.00 H new ATOM 0 HG2 GLU A 48 10.597 16.753 -4.476 1.00 0.00 H new ATOM 0 HG3 GLU A 48 11.809 17.127 -3.267 1.00 0.00 H new ATOM 745 N VAL A 49 10.412 18.125 -7.802 1.00 0.00 N ATOM 746 CA VAL A 49 9.286 17.576 -8.615 1.00 0.00 C ATOM 747 C VAL A 49 9.276 18.213 -10.010 1.00 0.00 C ATOM 748 O VAL A 49 9.991 19.159 -10.276 1.00 0.00 O ATOM 749 CB VAL A 49 8.007 17.939 -7.843 1.00 0.00 C ATOM 750 CG1 VAL A 49 8.232 17.763 -6.338 1.00 0.00 C ATOM 751 CG2 VAL A 49 7.625 19.396 -8.125 1.00 0.00 C ATOM 0 H VAL A 49 10.690 19.078 -8.035 1.00 0.00 H new ATOM 0 HA VAL A 49 9.375 16.499 -8.760 1.00 0.00 H new ATOM 0 HB VAL A 49 7.204 17.279 -8.169 1.00 0.00 H new ATOM 0 HG11 VAL A 49 7.320 18.023 -5.801 1.00 0.00 H new ATOM 0 HG12 VAL A 49 8.494 16.726 -6.128 1.00 0.00 H new ATOM 0 HG13 VAL A 49 9.043 18.415 -6.013 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.718 19.647 -7.575 1.00 0.00 H new ATOM 0 HG22 VAL A 49 8.435 20.053 -7.808 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.450 19.526 -9.193 1.00 0.00 H new ATOM 761 N GLU A 50 8.466 17.705 -10.901 1.00 0.00 N ATOM 762 CA GLU A 50 8.405 18.286 -12.276 1.00 0.00 C ATOM 763 C GLU A 50 6.949 18.522 -12.683 1.00 0.00 C ATOM 764 O GLU A 50 6.086 17.700 -12.445 1.00 0.00 O ATOM 765 CB GLU A 50 9.043 17.237 -13.185 1.00 0.00 C ATOM 766 CG GLU A 50 10.400 17.743 -13.676 1.00 0.00 C ATOM 767 CD GLU A 50 10.692 17.157 -15.058 1.00 0.00 C ATOM 768 OE1 GLU A 50 11.055 15.994 -15.122 1.00 0.00 O ATOM 769 OE2 GLU A 50 10.546 17.880 -16.030 1.00 0.00 O ATOM 0 H GLU A 50 7.844 16.913 -10.737 1.00 0.00 H new ATOM 0 HA GLU A 50 8.919 19.245 -12.338 1.00 0.00 H new ATOM 0 HB2 GLU A 50 9.167 16.299 -12.644 1.00 0.00 H new ATOM 0 HB3 GLU A 50 8.391 17.031 -14.034 1.00 0.00 H new ATOM 0 HG2 GLU A 50 10.399 18.832 -13.724 1.00 0.00 H new ATOM 0 HG3 GLU A 50 11.183 17.456 -12.974 1.00 0.00 H new ATOM 776 N VAL A 51 6.668 19.636 -13.303 1.00 0.00 N ATOM 777 CA VAL A 51 5.266 19.914 -13.730 1.00 0.00 C ATOM 778 C VAL A 51 4.784 18.808 -14.670 1.00 0.00 C ATOM 779 O VAL A 51 5.412 18.513 -15.667 1.00 0.00 O ATOM 780 CB VAL A 51 5.325 21.255 -14.464 1.00 0.00 C ATOM 781 CG1 VAL A 51 3.908 21.800 -14.648 1.00 0.00 C ATOM 782 CG2 VAL A 51 6.149 22.252 -13.646 1.00 0.00 C ATOM 0 H VAL A 51 7.345 20.363 -13.532 1.00 0.00 H new ATOM 0 HA VAL A 51 4.575 19.948 -12.888 1.00 0.00 H new ATOM 0 HB VAL A 51 5.790 21.112 -15.439 1.00 0.00 H new ATOM 0 HG11 VAL A 51 3.951 22.755 -15.171 1.00 0.00 H new ATOM 0 HG12 VAL A 51 3.319 21.093 -15.232 1.00 0.00 H new ATOM 0 HG13 VAL A 51 3.443 21.941 -13.672 1.00 0.00 H new ATOM 0 HG21 VAL A 51 6.190 23.207 -14.170 1.00 0.00 H new ATOM 0 HG22 VAL A 51 5.685 22.394 -12.670 1.00 0.00 H new ATOM 0 HG23 VAL A 51 7.160 21.867 -13.514 1.00 0.00 H new ATOM 792 N VAL A 52 3.678 18.192 -14.360 1.00 0.00 N ATOM 793 CA VAL A 52 3.165 17.101 -15.240 1.00 0.00 C ATOM 794 C VAL A 52 2.016 17.614 -16.104 1.00 0.00 C ATOM 795 O VAL A 52 2.102 17.646 -17.316 1.00 0.00 O ATOM 796 CB VAL A 52 2.662 16.015 -14.288 1.00 0.00 C ATOM 797 CG1 VAL A 52 2.558 14.690 -15.040 1.00 0.00 C ATOM 798 CG2 VAL A 52 3.640 15.857 -13.129 1.00 0.00 C ATOM 0 H VAL A 52 3.108 18.394 -13.539 1.00 0.00 H new ATOM 0 HA VAL A 52 3.936 16.728 -15.915 1.00 0.00 H new ATOM 0 HB VAL A 52 1.683 16.299 -13.903 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.200 13.915 -14.363 1.00 0.00 H new ATOM 0 HG12 VAL A 52 1.861 14.797 -15.871 1.00 0.00 H new ATOM 0 HG13 VAL A 52 3.539 14.411 -15.424 1.00 0.00 H new ATOM 0 HG21 VAL A 52 3.280 15.083 -12.452 1.00 0.00 H new ATOM 0 HG22 VAL A 52 4.619 15.574 -13.515 1.00 0.00 H new ATOM 0 HG23 VAL A 52 3.721 16.801 -12.590 1.00 0.00 H new ATOM 808 N GLU A 53 0.934 18.011 -15.493 1.00 0.00 N ATOM 809 CA GLU A 53 -0.224 18.515 -16.293 1.00 0.00 C ATOM 810 C GLU A 53 -0.918 19.658 -15.556 1.00 0.00 C ATOM 811 O GLU A 53 -0.703 19.878 -14.383 1.00 0.00 O ATOM 812 CB GLU A 53 -1.196 17.332 -16.436 1.00 0.00 C ATOM 813 CG GLU A 53 -0.443 15.999 -16.385 1.00 0.00 C ATOM 814 CD GLU A 53 -1.307 14.898 -17.003 1.00 0.00 C ATOM 815 OE1 GLU A 53 -2.519 15.020 -16.943 1.00 0.00 O ATOM 816 OE2 GLU A 53 -0.741 13.952 -17.526 1.00 0.00 O ATOM 0 H GLU A 53 0.799 18.010 -14.482 1.00 0.00 H new ATOM 0 HA GLU A 53 0.103 18.890 -17.263 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -1.938 17.366 -15.638 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.738 17.413 -17.378 1.00 0.00 H new ATOM 0 HG2 GLU A 53 0.500 16.082 -16.925 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -0.198 15.747 -15.353 1.00 0.00 H new ATOM 823 N ILE A 54 -1.767 20.375 -16.235 1.00 0.00 N ATOM 824 CA ILE A 54 -2.501 21.490 -15.574 1.00 0.00 C ATOM 825 C ILE A 54 -3.995 21.321 -15.856 1.00 0.00 C ATOM 826 O ILE A 54 -4.380 20.799 -16.883 1.00 0.00 O ATOM 827 CB ILE A 54 -1.974 22.788 -16.197 1.00 0.00 C ATOM 828 CG1 ILE A 54 -0.494 22.638 -16.591 1.00 0.00 C ATOM 829 CG2 ILE A 54 -2.115 23.915 -15.176 1.00 0.00 C ATOM 830 CD1 ILE A 54 0.380 22.529 -15.337 1.00 0.00 C ATOM 0 H ILE A 54 -1.985 20.237 -17.222 1.00 0.00 H new ATOM 0 HA ILE A 54 -2.355 21.503 -14.494 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.550 23.014 -17.094 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -0.364 21.752 -17.212 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -0.181 23.494 -17.188 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -1.743 24.845 -15.607 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -3.165 24.033 -14.908 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.538 23.672 -14.284 1.00 0.00 H new ATOM 0 HD11 ILE A 54 1.425 22.423 -15.630 1.00 0.00 H new ATOM 0 HD12 ILE A 54 0.262 23.428 -14.732 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.076 21.658 -14.756 1.00 0.00 H new ATOM 842 N ILE A 55 -4.849 21.731 -14.959 1.00 0.00 N ATOM 843 CA ILE A 55 -6.305 21.547 -15.214 1.00 0.00 C ATOM 844 C ILE A 55 -7.122 22.750 -14.719 1.00 0.00 C ATOM 845 O ILE A 55 -6.984 23.192 -13.593 1.00 0.00 O ATOM 846 CB ILE A 55 -6.660 20.253 -14.458 1.00 0.00 C ATOM 847 CG1 ILE A 55 -7.485 19.349 -15.376 1.00 0.00 C ATOM 848 CG2 ILE A 55 -7.462 20.553 -13.185 1.00 0.00 C ATOM 849 CD1 ILE A 55 -8.831 20.010 -15.666 1.00 0.00 C ATOM 0 H ILE A 55 -4.607 22.178 -14.075 1.00 0.00 H new ATOM 0 HA ILE A 55 -6.537 21.475 -16.277 1.00 0.00 H new ATOM 0 HB ILE A 55 -5.734 19.757 -14.167 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -6.947 19.171 -16.307 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -7.639 18.378 -14.905 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -7.697 19.619 -12.674 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -6.872 21.189 -12.525 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -8.387 21.064 -13.450 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -9.419 19.366 -16.320 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -9.369 20.166 -14.731 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -8.667 20.971 -16.154 1.00 0.00 H new ATOM 861 N GLN A 56 -7.982 23.267 -15.557 1.00 0.00 N ATOM 862 CA GLN A 56 -8.826 24.425 -15.152 1.00 0.00 C ATOM 863 C GLN A 56 -10.182 23.923 -14.641 1.00 0.00 C ATOM 864 O GLN A 56 -10.466 22.743 -14.671 1.00 0.00 O ATOM 865 CB GLN A 56 -9.005 25.254 -16.426 1.00 0.00 C ATOM 866 CG GLN A 56 -7.657 25.840 -16.851 1.00 0.00 C ATOM 867 CD GLN A 56 -7.015 24.941 -17.909 1.00 0.00 C ATOM 868 OE1 GLN A 56 -7.577 23.934 -18.292 1.00 0.00 O ATOM 869 NE2 GLN A 56 -5.849 25.265 -18.398 1.00 0.00 N ATOM 0 H GLN A 56 -8.135 22.934 -16.509 1.00 0.00 H new ATOM 0 HA GLN A 56 -8.375 25.010 -14.351 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -9.410 24.631 -17.224 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -9.723 26.056 -16.252 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -7.796 26.845 -17.249 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -6.999 25.928 -15.987 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -5.378 26.110 -18.076 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -5.409 24.673 -19.102 1.00 0.00 H new ATOM 878 N ALA A 57 -11.017 24.806 -14.169 1.00 0.00 N ATOM 879 CA ALA A 57 -12.350 24.374 -13.650 1.00 0.00 C ATOM 880 C ALA A 57 -13.447 24.664 -14.675 1.00 0.00 C ATOM 881 O ALA A 57 -13.401 25.659 -15.370 1.00 0.00 O ATOM 882 CB ALA A 57 -12.571 25.220 -12.401 1.00 0.00 C ATOM 0 H ALA A 57 -10.836 25.809 -14.119 1.00 0.00 H new ATOM 0 HA ALA A 57 -12.381 23.304 -13.445 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -13.532 24.965 -11.955 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -11.774 25.024 -11.683 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -12.565 26.276 -12.671 1.00 0.00 H new ATOM 888 N THR A 58 -14.443 23.815 -14.770 1.00 0.00 N ATOM 889 CA THR A 58 -15.538 24.073 -15.754 1.00 0.00 C ATOM 890 C THR A 58 -16.486 22.871 -15.888 1.00 0.00 C ATOM 891 O THR A 58 -16.653 22.338 -16.967 1.00 0.00 O ATOM 892 CB THR A 58 -14.828 24.309 -17.091 1.00 0.00 C ATOM 893 OG1 THR A 58 -15.763 24.160 -18.150 1.00 0.00 O ATOM 894 CG2 THR A 58 -13.699 23.287 -17.260 1.00 0.00 C ATOM 0 H THR A 58 -14.544 22.965 -14.215 1.00 0.00 H new ATOM 0 HA THR A 58 -16.149 24.918 -15.436 1.00 0.00 H new ATOM 0 HB THR A 58 -14.410 25.315 -17.109 1.00 0.00 H new ATOM 0 HG1 THR A 58 -16.037 23.221 -18.215 1.00 0.00 H new ATOM 0 HG21 THR A 58 -13.195 23.456 -18.211 1.00 0.00 H new ATOM 0 HG22 THR A 58 -12.983 23.397 -16.445 1.00 0.00 H new ATOM 0 HG23 THR A 58 -14.115 22.280 -17.244 1.00 0.00 H new ATOM 902 N ILE A 59 -17.133 22.443 -14.833 1.00 0.00 N ATOM 903 CA ILE A 59 -18.073 21.290 -14.993 1.00 0.00 C ATOM 904 C ILE A 59 -18.892 21.012 -13.720 1.00 0.00 C ATOM 905 O ILE A 59 -20.106 21.061 -13.747 1.00 0.00 O ATOM 906 CB ILE A 59 -17.199 20.087 -15.359 1.00 0.00 C ATOM 907 CG1 ILE A 59 -18.029 18.805 -15.236 1.00 0.00 C ATOM 908 CG2 ILE A 59 -15.997 19.999 -14.422 1.00 0.00 C ATOM 909 CD1 ILE A 59 -17.118 17.590 -15.414 1.00 0.00 C ATOM 0 H ILE A 59 -17.056 22.829 -13.892 1.00 0.00 H new ATOM 0 HA ILE A 59 -18.813 21.507 -15.764 1.00 0.00 H new ATOM 0 HB ILE A 59 -16.843 20.206 -16.382 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -18.518 18.767 -14.262 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -18.817 18.796 -15.989 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -15.385 19.139 -14.695 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -15.402 20.909 -14.506 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -16.344 19.886 -13.395 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -17.707 16.677 -15.327 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -16.650 17.627 -16.398 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -16.346 17.598 -14.645 1.00 0.00 H new ATOM 921 N ILE A 60 -18.267 20.701 -12.613 1.00 0.00 N ATOM 922 CA ILE A 60 -19.069 20.407 -11.383 1.00 0.00 C ATOM 923 C ILE A 60 -19.506 21.702 -10.696 1.00 0.00 C ATOM 924 O ILE A 60 -19.059 22.779 -11.032 1.00 0.00 O ATOM 925 CB ILE A 60 -18.144 19.597 -10.471 1.00 0.00 C ATOM 926 CG1 ILE A 60 -17.505 18.461 -11.272 1.00 0.00 C ATOM 927 CG2 ILE A 60 -18.957 19.005 -9.318 1.00 0.00 C ATOM 928 CD1 ILE A 60 -18.581 17.447 -11.665 1.00 0.00 C ATOM 0 H ILE A 60 -17.255 20.638 -12.506 1.00 0.00 H new ATOM 0 HA ILE A 60 -19.980 19.859 -11.621 1.00 0.00 H new ATOM 0 HB ILE A 60 -17.365 20.248 -10.074 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -17.021 18.858 -12.164 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -16.731 17.974 -10.679 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -18.299 18.428 -8.668 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -19.417 19.811 -8.746 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -19.735 18.354 -9.718 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -18.127 16.637 -12.236 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -19.045 17.041 -10.766 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -19.340 17.939 -12.274 1.00 0.00 H new ATOM 940 N ARG A 61 -20.384 21.598 -9.735 1.00 0.00 N ATOM 941 CA ARG A 61 -20.863 22.815 -9.021 1.00 0.00 C ATOM 942 C ARG A 61 -20.312 22.845 -7.592 1.00 0.00 C ATOM 943 O ARG A 61 -19.333 22.197 -7.280 1.00 0.00 O ATOM 944 CB ARG A 61 -22.387 22.684 -9.006 1.00 0.00 C ATOM 945 CG ARG A 61 -23.008 23.849 -9.777 1.00 0.00 C ATOM 946 CD ARG A 61 -23.096 23.489 -11.261 1.00 0.00 C ATOM 947 NE ARG A 61 -23.305 24.788 -11.958 1.00 0.00 N ATOM 948 CZ ARG A 61 -23.386 24.826 -13.260 1.00 0.00 C ATOM 949 NH1 ARG A 61 -22.570 24.110 -13.986 1.00 0.00 N ATOM 950 NH2 ARG A 61 -24.282 25.578 -13.838 1.00 0.00 N ATOM 0 H ARG A 61 -20.791 20.720 -9.413 1.00 0.00 H new ATOM 0 HA ARG A 61 -20.535 23.735 -9.504 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -22.685 21.737 -9.455 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -22.752 22.678 -7.979 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -24.001 24.070 -9.386 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -22.406 24.748 -9.645 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -22.185 22.999 -11.603 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -23.919 22.801 -11.453 1.00 0.00 H new ATOM 0 HE ARG A 61 -23.385 25.649 -11.417 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -21.870 23.521 -13.535 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -22.633 24.140 -15.004 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -24.920 26.137 -13.272 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -24.344 25.607 -14.856 1.00 0.00 H new ATOM 964 N GLN A 62 -20.936 23.593 -6.723 1.00 0.00 N ATOM 965 CA GLN A 62 -20.451 23.669 -5.313 1.00 0.00 C ATOM 966 C GLN A 62 -21.141 22.607 -4.457 1.00 0.00 C ATOM 967 O GLN A 62 -20.528 21.663 -4.002 1.00 0.00 O ATOM 968 CB GLN A 62 -20.848 25.065 -4.837 1.00 0.00 C ATOM 969 CG GLN A 62 -20.290 25.308 -3.432 1.00 0.00 C ATOM 970 CD GLN A 62 -21.202 26.281 -2.680 1.00 0.00 C ATOM 971 OE1 GLN A 62 -21.260 26.263 -1.466 1.00 0.00 O ATOM 972 NE2 GLN A 62 -21.919 27.139 -3.353 1.00 0.00 N ATOM 0 H GLN A 62 -21.762 24.156 -6.928 1.00 0.00 H new ATOM 0 HA GLN A 62 -19.378 23.495 -5.238 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -20.465 25.818 -5.526 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -21.934 25.162 -4.830 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -20.220 24.365 -2.889 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -19.281 25.715 -3.496 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -21.871 27.155 -4.372 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -22.527 27.793 -2.860 1.00 0.00 H new ATOM 981 N ASN A 63 -22.415 22.770 -4.233 1.00 0.00 N ATOM 982 CA ASN A 63 -23.171 21.788 -3.401 1.00 0.00 C ATOM 983 C ASN A 63 -22.697 20.356 -3.676 1.00 0.00 C ATOM 984 O ASN A 63 -22.387 19.608 -2.768 1.00 0.00 O ATOM 985 CB ASN A 63 -24.628 21.961 -3.830 1.00 0.00 C ATOM 986 CG ASN A 63 -25.093 23.381 -3.497 1.00 0.00 C ATOM 987 OD1 ASN A 63 -24.352 24.330 -3.665 1.00 0.00 O ATOM 988 ND2 ASN A 63 -26.297 23.568 -3.032 1.00 0.00 N ATOM 0 H ASN A 63 -22.970 23.546 -4.592 1.00 0.00 H new ATOM 0 HA ASN A 63 -23.027 21.959 -2.334 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -24.728 21.776 -4.899 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -25.257 21.232 -3.320 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -26.617 24.511 -2.809 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -26.919 22.772 -2.891 1.00 0.00 H new ATOM 995 N GLN A 64 -22.643 19.965 -4.918 1.00 0.00 N ATOM 996 CA GLN A 64 -22.193 18.581 -5.249 1.00 0.00 C ATOM 997 C GLN A 64 -20.766 18.334 -4.740 1.00 0.00 C ATOM 998 O GLN A 64 -19.895 19.171 -4.871 1.00 0.00 O ATOM 999 CB GLN A 64 -22.240 18.509 -6.772 1.00 0.00 C ATOM 1000 CG GLN A 64 -21.684 17.163 -7.239 1.00 0.00 C ATOM 1001 CD GLN A 64 -22.802 16.117 -7.236 1.00 0.00 C ATOM 1002 OE1 GLN A 64 -23.456 15.908 -8.238 1.00 0.00 O ATOM 1003 NE2 GLN A 64 -23.049 15.445 -6.146 1.00 0.00 N ATOM 0 H GLN A 64 -22.891 20.543 -5.721 1.00 0.00 H new ATOM 0 HA GLN A 64 -22.822 17.824 -4.780 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -23.266 18.631 -7.120 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -21.658 19.324 -7.203 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -21.265 17.259 -8.241 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -20.873 16.846 -6.583 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -22.501 15.620 -5.304 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -23.791 14.745 -6.136 1.00 0.00 H new ATOM 1012 N ALA A 65 -20.525 17.184 -4.168 1.00 0.00 N ATOM 1013 CA ALA A 65 -19.161 16.862 -3.652 1.00 0.00 C ATOM 1014 C ALA A 65 -18.687 15.518 -4.220 1.00 0.00 C ATOM 1015 O ALA A 65 -19.477 14.630 -4.478 1.00 0.00 O ATOM 1016 CB ALA A 65 -19.319 16.772 -2.133 1.00 0.00 C ATOM 0 H ALA A 65 -21.219 16.449 -4.035 1.00 0.00 H new ATOM 0 HA ALA A 65 -18.424 17.611 -3.941 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -18.356 16.537 -1.680 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -19.678 17.726 -1.747 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -20.036 15.988 -1.888 1.00 0.00 H new ATOM 1022 N LEU A 66 -17.403 15.362 -4.411 1.00 0.00 N ATOM 1023 CA LEU A 66 -16.877 14.076 -4.958 1.00 0.00 C ATOM 1024 C LEU A 66 -15.777 13.527 -4.048 1.00 0.00 C ATOM 1025 O LEU A 66 -14.750 14.147 -3.866 1.00 0.00 O ATOM 1026 CB LEU A 66 -16.298 14.432 -6.327 1.00 0.00 C ATOM 1027 CG LEU A 66 -17.317 15.246 -7.125 1.00 0.00 C ATOM 1028 CD1 LEU A 66 -16.984 16.735 -7.007 1.00 0.00 C ATOM 1029 CD2 LEU A 66 -17.261 14.826 -8.595 1.00 0.00 C ATOM 0 H LEU A 66 -16.696 16.069 -4.212 1.00 0.00 H new ATOM 0 HA LEU A 66 -17.652 13.312 -5.026 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -15.378 15.003 -6.205 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -16.039 13.523 -6.870 1.00 0.00 H new ATOM 0 HG LEU A 66 -18.317 15.066 -6.732 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -17.710 17.316 -7.576 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -17.020 17.034 -5.959 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -15.984 16.917 -7.402 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -17.987 15.405 -9.167 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -16.261 15.009 -8.988 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -17.496 13.765 -8.679 1.00 0.00 H new ATOM 1041 N ARG A 67 -15.972 12.370 -3.481 1.00 0.00 N ATOM 1042 CA ARG A 67 -14.920 11.801 -2.592 1.00 0.00 C ATOM 1043 C ARG A 67 -13.976 10.915 -3.400 1.00 0.00 C ATOM 1044 O ARG A 67 -14.403 10.035 -4.120 1.00 0.00 O ATOM 1045 CB ARG A 67 -15.673 10.977 -1.548 1.00 0.00 C ATOM 1046 CG ARG A 67 -16.638 11.883 -0.783 1.00 0.00 C ATOM 1047 CD ARG A 67 -18.038 11.267 -0.802 1.00 0.00 C ATOM 1048 NE ARG A 67 -18.721 11.821 0.401 1.00 0.00 N ATOM 1049 CZ ARG A 67 -18.324 11.469 1.595 1.00 0.00 C ATOM 1050 NH1 ARG A 67 -18.097 10.212 1.861 1.00 0.00 N ATOM 1051 NH2 ARG A 67 -18.156 12.373 2.521 1.00 0.00 N ATOM 0 H ARG A 67 -16.808 11.796 -3.593 1.00 0.00 H new ATOM 0 HA ARG A 67 -14.311 12.576 -2.127 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -16.222 10.170 -2.033 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -14.968 10.513 -0.858 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -16.298 12.009 0.245 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -16.659 12.874 -1.235 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -18.572 11.530 -1.715 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -17.991 10.179 -0.763 1.00 0.00 H new ATOM 0 HE ARG A 67 -19.497 12.474 0.293 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -18.229 9.506 1.137 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -17.787 9.936 2.793 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -18.335 13.355 2.313 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -17.846 12.097 3.453 1.00 0.00 H new ATOM 1065 N LEU A 68 -12.695 11.145 -3.293 1.00 0.00 N ATOM 1066 CA LEU A 68 -11.729 10.315 -4.073 1.00 0.00 C ATOM 1067 C LEU A 68 -10.759 9.582 -3.144 1.00 0.00 C ATOM 1068 O LEU A 68 -10.281 10.128 -2.167 1.00 0.00 O ATOM 1069 CB LEU A 68 -10.971 11.311 -4.955 1.00 0.00 C ATOM 1070 CG LEU A 68 -11.950 12.313 -5.569 1.00 0.00 C ATOM 1071 CD1 LEU A 68 -11.196 13.244 -6.518 1.00 0.00 C ATOM 1072 CD2 LEU A 68 -13.031 11.565 -6.350 1.00 0.00 C ATOM 0 H LEU A 68 -12.277 11.866 -2.704 1.00 0.00 H new ATOM 0 HA LEU A 68 -12.238 9.548 -4.657 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -10.222 11.837 -4.363 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -10.439 10.780 -5.744 1.00 0.00 H new ATOM 0 HG LEU A 68 -12.414 12.896 -4.774 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -11.893 13.959 -6.956 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -10.425 13.781 -5.965 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -10.732 12.657 -7.311 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -13.727 12.282 -6.786 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -12.567 10.980 -7.144 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -13.571 10.899 -5.677 1.00 0.00 H new ATOM 1084 N ARG A 69 -10.455 8.350 -3.454 1.00 0.00 N ATOM 1085 CA ARG A 69 -9.505 7.575 -2.606 1.00 0.00 C ATOM 1086 C ARG A 69 -8.296 7.147 -3.442 1.00 0.00 C ATOM 1087 O ARG A 69 -8.362 7.080 -4.653 1.00 0.00 O ATOM 1088 CB ARG A 69 -10.293 6.354 -2.130 1.00 0.00 C ATOM 1089 CG ARG A 69 -9.351 5.387 -1.412 1.00 0.00 C ATOM 1090 CD ARG A 69 -10.153 4.517 -0.443 1.00 0.00 C ATOM 1091 NE ARG A 69 -10.025 3.133 -0.978 1.00 0.00 N ATOM 1092 CZ ARG A 69 -9.601 2.171 -0.205 1.00 0.00 C ATOM 1093 NH1 ARG A 69 -10.118 2.016 0.982 1.00 0.00 N ATOM 1094 NH2 ARG A 69 -8.657 1.370 -0.618 1.00 0.00 N ATOM 0 H ARG A 69 -10.825 7.846 -4.260 1.00 0.00 H new ATOM 0 HA ARG A 69 -9.126 8.158 -1.767 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -11.094 6.664 -1.459 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -10.763 5.858 -2.979 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -8.834 4.759 -2.138 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -8.586 5.943 -0.870 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -9.758 4.587 0.571 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -11.196 4.830 -0.401 1.00 0.00 H new ATOM 0 HE ARG A 69 -10.269 2.937 -1.949 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -10.852 2.646 1.305 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -9.788 1.265 1.588 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -8.251 1.496 -1.545 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -8.326 0.618 -0.014 1.00 0.00 H new ATOM 1108 N ALA A 70 -7.193 6.870 -2.808 1.00 0.00 N ATOM 1109 CA ALA A 70 -5.975 6.462 -3.566 1.00 0.00 C ATOM 1110 C ALA A 70 -6.150 5.079 -4.200 1.00 0.00 C ATOM 1111 O ALA A 70 -6.418 4.106 -3.525 1.00 0.00 O ATOM 1112 CB ALA A 70 -4.864 6.414 -2.520 1.00 0.00 C ATOM 0 H ALA A 70 -7.080 6.908 -1.795 1.00 0.00 H new ATOM 0 HA ALA A 70 -5.762 7.153 -4.381 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -3.928 6.120 -2.996 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -4.747 7.399 -2.068 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -5.122 5.688 -1.748 1.00 0.00 H new ATOM 1118 N ARG A 71 -5.967 4.980 -5.489 1.00 0.00 N ATOM 1119 CA ARG A 71 -6.088 3.651 -6.156 1.00 0.00 C ATOM 1120 C ARG A 71 -4.749 2.921 -6.028 1.00 0.00 C ATOM 1121 O ARG A 71 -4.672 1.710 -6.093 1.00 0.00 O ATOM 1122 CB ARG A 71 -6.406 3.958 -7.624 1.00 0.00 C ATOM 1123 CG ARG A 71 -6.032 2.753 -8.495 1.00 0.00 C ATOM 1124 CD ARG A 71 -7.103 2.539 -9.569 1.00 0.00 C ATOM 1125 NE ARG A 71 -6.608 1.387 -10.373 1.00 0.00 N ATOM 1126 CZ ARG A 71 -6.479 1.501 -11.667 1.00 0.00 C ATOM 1127 NH1 ARG A 71 -7.531 1.699 -12.413 1.00 0.00 N ATOM 1128 NH2 ARG A 71 -5.298 1.415 -12.216 1.00 0.00 N ATOM 0 H ARG A 71 -5.740 5.759 -6.107 1.00 0.00 H new ATOM 0 HA ARG A 71 -6.859 3.018 -5.716 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -7.466 4.186 -7.737 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -5.854 4.840 -7.949 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -5.062 2.918 -8.963 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -5.940 1.860 -7.877 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -8.074 2.322 -9.123 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -7.228 3.428 -10.187 1.00 0.00 H new ATOM 0 HE ARG A 71 -6.370 0.509 -9.912 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -8.455 1.765 -11.985 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -7.430 1.788 -13.424 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -4.475 1.259 -11.634 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -5.198 1.504 -13.227 1.00 0.00 H new ATOM 1142 N LYS A 72 -3.696 3.669 -5.838 1.00 0.00 N ATOM 1143 CA LYS A 72 -2.345 3.062 -5.690 1.00 0.00 C ATOM 1144 C LYS A 72 -1.441 4.036 -4.928 1.00 0.00 C ATOM 1145 O LYS A 72 -1.574 5.237 -5.046 1.00 0.00 O ATOM 1146 CB LYS A 72 -1.840 2.859 -7.120 1.00 0.00 C ATOM 1147 CG LYS A 72 -1.610 4.220 -7.780 1.00 0.00 C ATOM 1148 CD LYS A 72 -2.161 4.197 -9.206 1.00 0.00 C ATOM 1149 CE LYS A 72 -1.112 3.607 -10.150 1.00 0.00 C ATOM 1150 NZ LYS A 72 -1.203 2.134 -9.954 1.00 0.00 N ATOM 0 H LYS A 72 -3.716 4.687 -5.779 1.00 0.00 H new ATOM 0 HA LYS A 72 -2.358 2.123 -5.137 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.913 2.286 -7.111 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -2.565 2.283 -7.694 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -2.101 5.003 -7.202 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.545 4.454 -7.794 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -3.075 3.604 -9.244 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -2.423 5.207 -9.522 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -1.314 3.881 -11.186 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -0.114 3.976 -9.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -0.895 1.649 -10.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -0.591 1.851 -9.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -2.187 1.872 -9.742 1.00 0.00 H new ATOM 1164 N GLU A 73 -0.531 3.534 -4.138 1.00 0.00 N ATOM 1165 CA GLU A 73 0.367 4.443 -3.367 1.00 0.00 C ATOM 1166 C GLU A 73 1.117 5.384 -4.318 1.00 0.00 C ATOM 1167 O GLU A 73 0.676 5.642 -5.418 1.00 0.00 O ATOM 1168 CB GLU A 73 1.339 3.514 -2.639 1.00 0.00 C ATOM 1169 CG GLU A 73 2.085 2.653 -3.659 1.00 0.00 C ATOM 1170 CD GLU A 73 2.137 1.207 -3.164 1.00 0.00 C ATOM 1171 OE1 GLU A 73 1.841 0.990 -2.000 1.00 0.00 O ATOM 1172 OE2 GLU A 73 2.471 0.341 -3.955 1.00 0.00 O ATOM 0 H GLU A 73 -0.370 2.537 -3.993 1.00 0.00 H new ATOM 0 HA GLU A 73 -0.183 5.078 -2.672 1.00 0.00 H new ATOM 0 HB2 GLU A 73 2.048 4.099 -2.054 1.00 0.00 H new ATOM 0 HB3 GLU A 73 0.796 2.879 -1.939 1.00 0.00 H new ATOM 0 HG2 GLU A 73 1.584 2.700 -4.626 1.00 0.00 H new ATOM 0 HG3 GLU A 73 3.095 3.036 -3.804 1.00 0.00 H new ATOM 1179 N CYS A 74 2.244 5.899 -3.894 1.00 0.00 N ATOM 1180 CA CYS A 74 3.046 6.833 -4.755 1.00 0.00 C ATOM 1181 C CYS A 74 2.425 8.238 -4.765 1.00 0.00 C ATOM 1182 O CYS A 74 3.124 9.228 -4.668 1.00 0.00 O ATOM 1183 CB CYS A 74 3.050 6.229 -6.166 1.00 0.00 C ATOM 1184 SG CYS A 74 3.325 4.441 -6.067 1.00 0.00 S ATOM 0 H CYS A 74 2.650 5.712 -2.977 1.00 0.00 H new ATOM 0 HA CYS A 74 4.061 6.942 -4.372 1.00 0.00 H new ATOM 0 HB2 CYS A 74 2.101 6.433 -6.662 1.00 0.00 H new ATOM 0 HB3 CYS A 74 3.831 6.694 -6.768 1.00 0.00 H new ATOM 0 HG CYS A 74 3.325 3.935 -7.264 1.00 0.00 H new ATOM 1190 N TRP A 75 1.127 8.344 -4.885 1.00 0.00 N ATOM 1191 CA TRP A 75 0.488 9.693 -4.904 1.00 0.00 C ATOM 1192 C TRP A 75 0.482 10.301 -3.494 1.00 0.00 C ATOM 1193 O TRP A 75 -0.222 9.847 -2.613 1.00 0.00 O ATOM 1194 CB TRP A 75 -0.939 9.433 -5.402 1.00 0.00 C ATOM 1195 CG TRP A 75 -1.870 10.505 -4.920 1.00 0.00 C ATOM 1196 CD1 TRP A 75 -1.888 11.780 -5.370 1.00 0.00 C ATOM 1197 CD2 TRP A 75 -2.918 10.413 -3.913 1.00 0.00 C ATOM 1198 NE1 TRP A 75 -2.878 12.478 -4.699 1.00 0.00 N ATOM 1199 CE2 TRP A 75 -3.540 11.677 -3.791 1.00 0.00 C ATOM 1200 CE3 TRP A 75 -3.383 9.364 -3.100 1.00 0.00 C ATOM 1201 CZ2 TRP A 75 -4.589 11.892 -2.894 1.00 0.00 C ATOM 1202 CZ3 TRP A 75 -4.436 9.576 -2.198 1.00 0.00 C ATOM 1203 CH2 TRP A 75 -5.038 10.838 -2.094 1.00 0.00 C ATOM 0 H TRP A 75 0.484 7.557 -4.970 1.00 0.00 H new ATOM 0 HA TRP A 75 1.018 10.402 -5.539 1.00 0.00 H new ATOM 0 HB2 TRP A 75 -0.949 9.398 -6.491 1.00 0.00 H new ATOM 0 HB3 TRP A 75 -1.282 8.460 -5.049 1.00 0.00 H new ATOM 0 HD1 TRP A 75 -1.237 12.187 -6.129 1.00 0.00 H new ATOM 0 HE1 TRP A 75 -3.092 13.463 -4.856 1.00 0.00 H new ATOM 0 HE3 TRP A 75 -2.926 8.388 -3.171 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 -5.050 12.866 -2.819 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 -4.785 8.762 -1.580 1.00 0.00 H new ATOM 0 HH2 TRP A 75 -5.848 10.995 -1.397 1.00 0.00 H new ATOM 1214 N ASP A 76 1.255 11.332 -3.279 1.00 0.00 N ATOM 1215 CA ASP A 76 1.286 11.975 -1.933 1.00 0.00 C ATOM 1216 C ASP A 76 0.251 13.103 -1.867 1.00 0.00 C ATOM 1217 O ASP A 76 0.231 13.985 -2.703 1.00 0.00 O ATOM 1218 CB ASP A 76 2.699 12.541 -1.790 1.00 0.00 C ATOM 1219 CG ASP A 76 2.859 13.753 -2.711 1.00 0.00 C ATOM 1220 OD1 ASP A 76 2.394 14.818 -2.342 1.00 0.00 O ATOM 1221 OD2 ASP A 76 3.446 13.594 -3.768 1.00 0.00 O ATOM 0 H ASP A 76 1.866 11.757 -3.977 1.00 0.00 H new ATOM 0 HA ASP A 76 1.048 11.271 -1.135 1.00 0.00 H new ATOM 0 HB2 ASP A 76 2.883 12.830 -0.755 1.00 0.00 H new ATOM 0 HB3 ASP A 76 3.435 11.778 -2.044 1.00 0.00 H new ATOM 1226 N ARG A 77 -0.606 13.084 -0.883 1.00 0.00 N ATOM 1227 CA ARG A 77 -1.632 14.161 -0.774 1.00 0.00 C ATOM 1228 C ARG A 77 -1.055 15.361 -0.016 1.00 0.00 C ATOM 1229 O ARG A 77 -1.288 16.500 -0.369 1.00 0.00 O ATOM 1230 CB ARG A 77 -2.793 13.538 0.012 1.00 0.00 C ATOM 1231 CG ARG A 77 -4.117 14.246 -0.332 1.00 0.00 C ATOM 1232 CD ARG A 77 -3.864 15.737 -0.599 1.00 0.00 C ATOM 1233 NE ARG A 77 -5.211 16.345 -0.777 1.00 0.00 N ATOM 1234 CZ ARG A 77 -5.317 17.595 -1.142 1.00 0.00 C ATOM 1235 NH1 ARG A 77 -4.978 17.952 -2.351 1.00 0.00 N ATOM 1236 NH2 ARG A 77 -5.758 18.487 -0.298 1.00 0.00 N ATOM 0 H ARG A 77 -0.641 12.373 -0.153 1.00 0.00 H new ATOM 0 HA ARG A 77 -1.954 14.522 -1.751 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -2.870 12.476 -0.222 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -2.599 13.616 1.082 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -4.569 13.783 -1.209 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -4.824 14.130 0.489 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -3.332 16.199 0.232 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -3.250 15.877 -1.488 1.00 0.00 H new ATOM 0 HE ARG A 77 -6.049 15.787 -0.614 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -4.631 17.255 -3.010 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -5.061 18.928 -2.637 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -6.020 18.209 0.648 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -5.840 19.463 -0.584 1.00 0.00 H new ATOM 1250 N ASP A 78 -0.302 15.116 1.022 1.00 0.00 N ATOM 1251 CA ASP A 78 0.289 16.243 1.800 1.00 0.00 C ATOM 1252 C ASP A 78 1.602 16.703 1.155 1.00 0.00 C ATOM 1253 O ASP A 78 1.984 17.852 1.257 1.00 0.00 O ATOM 1254 CB ASP A 78 0.547 15.670 3.195 1.00 0.00 C ATOM 1255 CG ASP A 78 -0.562 16.120 4.148 1.00 0.00 C ATOM 1256 OD1 ASP A 78 -0.665 17.313 4.386 1.00 0.00 O ATOM 1257 OD2 ASP A 78 -1.288 15.265 4.626 1.00 0.00 O ATOM 0 H ASP A 78 -0.070 14.184 1.365 1.00 0.00 H new ATOM 0 HA ASP A 78 -0.369 17.112 1.832 1.00 0.00 H new ATOM 0 HB2 ASP A 78 0.583 14.581 3.151 1.00 0.00 H new ATOM 0 HB3 ASP A 78 1.516 16.006 3.564 1.00 0.00 H new ATOM 1262 N GLY A 79 2.294 15.816 0.493 1.00 0.00 N ATOM 1263 CA GLY A 79 3.578 16.205 -0.157 1.00 0.00 C ATOM 1264 C GLY A 79 4.604 15.087 0.029 1.00 0.00 C ATOM 1265 O GLY A 79 5.204 14.619 -0.918 1.00 0.00 O ATOM 0 H GLY A 79 2.026 14.839 0.374 1.00 0.00 H new ATOM 0 HA2 GLY A 79 3.418 16.393 -1.219 1.00 0.00 H new ATOM 0 HA3 GLY A 79 3.952 17.132 0.278 1.00 0.00 H new ATOM 1269 N LYS A 80 4.810 14.652 1.241 1.00 0.00 N ATOM 1270 CA LYS A 80 5.796 13.560 1.482 1.00 0.00 C ATOM 1271 C LYS A 80 5.364 12.297 0.729 1.00 0.00 C ATOM 1272 O LYS A 80 5.040 12.346 -0.441 1.00 0.00 O ATOM 1273 CB LYS A 80 5.772 13.336 2.995 1.00 0.00 C ATOM 1274 CG LYS A 80 5.932 14.678 3.713 1.00 0.00 C ATOM 1275 CD LYS A 80 7.122 14.609 4.671 1.00 0.00 C ATOM 1276 CE LYS A 80 6.674 13.994 6.000 1.00 0.00 C ATOM 1277 NZ LYS A 80 6.762 12.522 5.792 1.00 0.00 N ATOM 0 H LYS A 80 4.339 15.004 2.074 1.00 0.00 H new ATOM 0 HA LYS A 80 6.798 13.809 1.131 1.00 0.00 H new ATOM 0 HB2 LYS A 80 4.834 12.864 3.289 1.00 0.00 H new ATOM 0 HB3 LYS A 80 6.575 12.658 3.286 1.00 0.00 H new ATOM 0 HG2 LYS A 80 6.084 15.475 2.985 1.00 0.00 H new ATOM 0 HG3 LYS A 80 5.022 14.918 4.264 1.00 0.00 H new ATOM 0 HD2 LYS A 80 7.921 14.011 4.233 1.00 0.00 H new ATOM 0 HD3 LYS A 80 7.526 15.607 4.838 1.00 0.00 H new ATOM 0 HE2 LYS A 80 7.316 14.316 6.820 1.00 0.00 H new ATOM 0 HE3 LYS A 80 5.658 14.297 6.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 6.925 12.052 6.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 5.873 12.176 5.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 7.550 12.309 5.147 1.00 0.00 H new ATOM 1291 N GLU A 81 5.350 11.166 1.380 1.00 0.00 N ATOM 1292 CA GLU A 81 4.931 9.919 0.680 1.00 0.00 C ATOM 1293 C GLU A 81 4.008 9.089 1.573 1.00 0.00 C ATOM 1294 O GLU A 81 4.367 8.698 2.665 1.00 0.00 O ATOM 1295 CB GLU A 81 6.227 9.163 0.397 1.00 0.00 C ATOM 1296 CG GLU A 81 7.242 10.118 -0.230 1.00 0.00 C ATOM 1297 CD GLU A 81 6.807 10.467 -1.654 1.00 0.00 C ATOM 1298 OE1 GLU A 81 5.657 10.223 -1.979 1.00 0.00 O ATOM 1299 OE2 GLU A 81 7.632 10.974 -2.397 1.00 0.00 O ATOM 0 H GLU A 81 5.609 11.052 2.360 1.00 0.00 H new ATOM 0 HA GLU A 81 4.377 10.131 -0.234 1.00 0.00 H new ATOM 0 HB2 GLU A 81 6.627 8.745 1.321 1.00 0.00 H new ATOM 0 HB3 GLU A 81 6.034 8.326 -0.275 1.00 0.00 H new ATOM 0 HG2 GLU A 81 7.321 11.025 0.369 1.00 0.00 H new ATOM 0 HG3 GLU A 81 8.230 9.657 -0.243 1.00 0.00 H new ATOM 1306 N ARG A 82 2.822 8.817 1.108 1.00 0.00 N ATOM 1307 CA ARG A 82 1.869 8.008 1.921 1.00 0.00 C ATOM 1308 C ARG A 82 1.404 6.790 1.119 1.00 0.00 C ATOM 1309 O ARG A 82 1.713 6.651 -0.049 1.00 0.00 O ATOM 1310 CB ARG A 82 0.696 8.945 2.214 1.00 0.00 C ATOM 1311 CG ARG A 82 1.002 9.771 3.466 1.00 0.00 C ATOM 1312 CD ARG A 82 1.095 8.844 4.681 1.00 0.00 C ATOM 1313 NE ARG A 82 2.285 9.316 5.439 1.00 0.00 N ATOM 1314 CZ ARG A 82 3.120 8.452 5.949 1.00 0.00 C ATOM 1315 NH1 ARG A 82 4.100 7.984 5.224 1.00 0.00 N ATOM 1316 NH2 ARG A 82 2.975 8.054 7.185 1.00 0.00 N ATOM 0 H ARG A 82 2.470 9.119 0.200 1.00 0.00 H new ATOM 0 HA ARG A 82 2.320 7.632 2.839 1.00 0.00 H new ATOM 0 HB2 ARG A 82 0.523 9.605 1.364 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -0.217 8.367 2.361 1.00 0.00 H new ATOM 0 HG2 ARG A 82 1.939 10.313 3.337 1.00 0.00 H new ATOM 0 HG3 ARG A 82 0.222 10.516 3.623 1.00 0.00 H new ATOM 0 HD2 ARG A 82 0.192 8.900 5.290 1.00 0.00 H new ATOM 0 HD3 ARG A 82 1.209 7.804 4.375 1.00 0.00 H new ATOM 0 HE ARG A 82 2.448 10.315 5.560 1.00 0.00 H new ATOM 0 HH11 ARG A 82 4.213 8.294 4.259 1.00 0.00 H new ATOM 0 HH12 ARG A 82 4.752 7.309 5.623 1.00 0.00 H new ATOM 0 HH21 ARG A 82 2.209 8.418 7.752 1.00 0.00 H new ATOM 0 HH22 ARG A 82 3.628 7.379 7.583 1.00 0.00 H new ATOM 1330 N VAL A 83 0.671 5.906 1.734 1.00 0.00 N ATOM 1331 CA VAL A 83 0.196 4.695 1.004 1.00 0.00 C ATOM 1332 C VAL A 83 -1.144 4.971 0.320 1.00 0.00 C ATOM 1333 O VAL A 83 -1.748 6.008 0.510 1.00 0.00 O ATOM 1334 CB VAL A 83 0.034 3.626 2.082 1.00 0.00 C ATOM 1335 CG1 VAL A 83 -1.077 4.042 3.050 1.00 0.00 C ATOM 1336 CG2 VAL A 83 -0.330 2.294 1.422 1.00 0.00 C ATOM 0 H VAL A 83 0.380 5.968 2.710 1.00 0.00 H new ATOM 0 HA VAL A 83 0.890 4.389 0.221 1.00 0.00 H new ATOM 0 HB VAL A 83 0.968 3.515 2.632 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -1.193 3.279 3.820 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -0.816 4.992 3.517 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -2.014 4.151 2.503 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -0.447 1.528 2.189 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -1.265 2.403 0.873 1.00 0.00 H new ATOM 0 HG23 VAL A 83 0.462 2.001 0.733 1.00 0.00 H new ATOM 1346 N THR A 84 -1.615 4.047 -0.472 1.00 0.00 N ATOM 1347 CA THR A 84 -2.918 4.254 -1.164 1.00 0.00 C ATOM 1348 C THR A 84 -4.059 4.265 -0.141 1.00 0.00 C ATOM 1349 O THR A 84 -5.176 4.637 -0.439 1.00 0.00 O ATOM 1350 CB THR A 84 -3.056 3.059 -2.109 1.00 0.00 C ATOM 1351 OG1 THR A 84 -4.266 3.175 -2.847 1.00 0.00 O ATOM 1352 CG2 THR A 84 -3.074 1.763 -1.295 1.00 0.00 C ATOM 0 H THR A 84 -1.154 3.159 -0.669 1.00 0.00 H new ATOM 0 HA THR A 84 -2.959 5.203 -1.699 1.00 0.00 H new ATOM 0 HB THR A 84 -2.212 3.042 -2.798 1.00 0.00 H new ATOM 0 HG1 THR A 84 -4.904 3.723 -2.345 1.00 0.00 H new ATOM 0 HG21 THR A 84 -3.172 0.912 -1.969 1.00 0.00 H new ATOM 0 HG22 THR A 84 -2.145 1.674 -0.731 1.00 0.00 H new ATOM 0 HG23 THR A 84 -3.917 1.779 -0.605 1.00 0.00 H new ATOM 1360 N GLY A 85 -3.785 3.857 1.065 1.00 0.00 N ATOM 1361 CA GLY A 85 -4.849 3.845 2.109 1.00 0.00 C ATOM 1362 C GLY A 85 -5.315 5.277 2.370 1.00 0.00 C ATOM 1363 O GLY A 85 -6.347 5.507 2.970 1.00 0.00 O ATOM 0 H GLY A 85 -2.870 3.531 1.375 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -5.688 3.231 1.783 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -4.468 3.401 3.028 1.00 0.00 H new ATOM 1367 N GLU A 86 -4.564 6.241 1.915 1.00 0.00 N ATOM 1368 CA GLU A 86 -4.960 7.662 2.123 1.00 0.00 C ATOM 1369 C GLU A 86 -6.035 8.050 1.099 1.00 0.00 C ATOM 1370 O GLU A 86 -6.266 7.341 0.139 1.00 0.00 O ATOM 1371 CB GLU A 86 -3.662 8.457 1.911 1.00 0.00 C ATOM 1372 CG GLU A 86 -3.448 8.726 0.421 1.00 0.00 C ATOM 1373 CD GLU A 86 -2.029 9.251 0.190 1.00 0.00 C ATOM 1374 OE1 GLU A 86 -1.647 10.185 0.875 1.00 0.00 O ATOM 1375 OE2 GLU A 86 -1.350 8.711 -0.667 1.00 0.00 O ATOM 0 H GLU A 86 -3.690 6.105 1.406 1.00 0.00 H new ATOM 0 HA GLU A 86 -5.387 7.853 3.107 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -3.711 9.400 2.455 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -2.816 7.900 2.313 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -3.605 7.811 -0.150 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -4.178 9.453 0.064 1.00 0.00 H new ATOM 1382 N GLU A 87 -6.699 9.158 1.287 1.00 0.00 N ATOM 1383 CA GLU A 87 -7.754 9.556 0.309 1.00 0.00 C ATOM 1384 C GLU A 87 -8.016 11.064 0.376 1.00 0.00 C ATOM 1385 O GLU A 87 -7.809 11.696 1.391 1.00 0.00 O ATOM 1386 CB GLU A 87 -8.999 8.772 0.731 1.00 0.00 C ATOM 1387 CG GLU A 87 -9.489 9.276 2.090 1.00 0.00 C ATOM 1388 CD GLU A 87 -10.973 8.941 2.255 1.00 0.00 C ATOM 1389 OE1 GLU A 87 -11.760 9.420 1.455 1.00 0.00 O ATOM 1390 OE2 GLU A 87 -11.297 8.213 3.178 1.00 0.00 O ATOM 0 H GLU A 87 -6.560 9.800 2.067 1.00 0.00 H new ATOM 0 HA GLU A 87 -7.461 9.339 -0.718 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -9.784 8.888 -0.016 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -8.769 7.708 0.788 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -8.910 8.815 2.891 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -9.338 10.353 2.166 1.00 0.00 H new ATOM 1397 N TRP A 88 -8.474 11.641 -0.704 1.00 0.00 N ATOM 1398 CA TRP A 88 -8.754 13.105 -0.714 1.00 0.00 C ATOM 1399 C TRP A 88 -10.181 13.357 -1.231 1.00 0.00 C ATOM 1400 O TRP A 88 -10.665 12.667 -2.107 1.00 0.00 O ATOM 1401 CB TRP A 88 -7.677 13.692 -1.650 1.00 0.00 C ATOM 1402 CG TRP A 88 -8.282 14.598 -2.682 1.00 0.00 C ATOM 1403 CD1 TRP A 88 -8.607 14.227 -3.942 1.00 0.00 C ATOM 1404 CD2 TRP A 88 -8.634 16.007 -2.566 1.00 0.00 C ATOM 1405 NE1 TRP A 88 -9.135 15.318 -4.606 1.00 0.00 N ATOM 1406 CE2 TRP A 88 -9.173 16.439 -3.800 1.00 0.00 C ATOM 1407 CE3 TRP A 88 -8.539 16.942 -1.520 1.00 0.00 C ATOM 1408 CZ2 TRP A 88 -9.603 17.753 -3.991 1.00 0.00 C ATOM 1409 CZ3 TRP A 88 -8.970 18.266 -1.708 1.00 0.00 C ATOM 1410 CH2 TRP A 88 -9.502 18.670 -2.941 1.00 0.00 C ATOM 0 H TRP A 88 -8.666 11.159 -1.582 1.00 0.00 H new ATOM 0 HA TRP A 88 -8.710 13.567 0.272 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -6.945 14.246 -1.062 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -7.142 12.881 -2.144 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -8.475 13.240 -4.360 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -9.457 15.298 -5.574 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -8.132 16.640 -0.566 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -10.011 18.059 -4.943 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -8.891 18.977 -0.898 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -9.833 19.689 -3.079 1.00 0.00 H new ATOM 1421 N LEU A 89 -10.853 14.340 -0.695 1.00 0.00 N ATOM 1422 CA LEU A 89 -12.242 14.633 -1.156 1.00 0.00 C ATOM 1423 C LEU A 89 -12.256 15.902 -2.013 1.00 0.00 C ATOM 1424 O LEU A 89 -11.366 16.726 -1.936 1.00 0.00 O ATOM 1425 CB LEU A 89 -13.048 14.837 0.126 1.00 0.00 C ATOM 1426 CG LEU A 89 -14.467 14.292 -0.058 1.00 0.00 C ATOM 1427 CD1 LEU A 89 -15.169 14.227 1.294 1.00 0.00 C ATOM 1428 CD2 LEU A 89 -15.256 15.209 -0.992 1.00 0.00 C ATOM 0 H LEU A 89 -10.501 14.952 0.041 1.00 0.00 H new ATOM 0 HA LEU A 89 -12.654 13.833 -1.771 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -12.559 14.330 0.958 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -13.086 15.897 0.377 1.00 0.00 H new ATOM 0 HG LEU A 89 -14.412 13.293 -0.491 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -16.179 13.839 1.161 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -14.612 13.569 1.962 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -15.218 15.226 1.727 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -16.265 14.817 -1.120 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -15.307 16.209 -0.562 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -14.759 15.256 -1.961 1.00 0.00 H new ATOM 1440 N VAL A 90 -13.259 16.062 -2.831 1.00 0.00 N ATOM 1441 CA VAL A 90 -13.331 17.274 -3.698 1.00 0.00 C ATOM 1442 C VAL A 90 -14.630 18.044 -3.440 1.00 0.00 C ATOM 1443 O VAL A 90 -15.695 17.468 -3.330 1.00 0.00 O ATOM 1444 CB VAL A 90 -13.307 16.739 -5.131 1.00 0.00 C ATOM 1445 CG1 VAL A 90 -13.128 17.901 -6.109 1.00 0.00 C ATOM 1446 CG2 VAL A 90 -12.144 15.757 -5.291 1.00 0.00 C ATOM 0 H VAL A 90 -14.033 15.406 -2.937 1.00 0.00 H new ATOM 0 HA VAL A 90 -12.510 17.964 -3.502 1.00 0.00 H new ATOM 0 HB VAL A 90 -14.247 16.228 -5.341 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -13.111 17.518 -7.129 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -13.956 18.601 -5.998 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -12.189 18.413 -5.898 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -12.127 15.376 -6.312 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -11.205 16.268 -5.079 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -12.271 14.927 -4.596 1.00 0.00 H new ATOM 1456 N THR A 91 -14.547 19.343 -3.351 1.00 0.00 N ATOM 1457 CA THR A 91 -15.772 20.159 -3.109 1.00 0.00 C ATOM 1458 C THR A 91 -15.554 21.582 -3.631 1.00 0.00 C ATOM 1459 O THR A 91 -15.609 22.544 -2.892 1.00 0.00 O ATOM 1460 CB THR A 91 -15.957 20.165 -1.590 1.00 0.00 C ATOM 1461 OG1 THR A 91 -14.842 20.801 -0.982 1.00 0.00 O ATOM 1462 CG2 THR A 91 -16.071 18.726 -1.082 1.00 0.00 C ATOM 0 H THR A 91 -13.682 19.876 -3.436 1.00 0.00 H new ATOM 0 HA THR A 91 -16.648 19.757 -3.618 1.00 0.00 H new ATOM 0 HB THR A 91 -16.867 20.708 -1.335 1.00 0.00 H new ATOM 0 HG1 THR A 91 -14.812 21.741 -1.257 1.00 0.00 H new ATOM 0 HG21 THR A 91 -16.203 18.731 -0.000 1.00 0.00 H new ATOM 0 HG22 THR A 91 -16.928 18.242 -1.549 1.00 0.00 H new ATOM 0 HG23 THR A 91 -15.163 18.178 -1.334 1.00 0.00 H new ATOM 1470 N THR A 92 -15.299 21.716 -4.903 1.00 0.00 N ATOM 1471 CA THR A 92 -15.063 23.069 -5.483 1.00 0.00 C ATOM 1472 C THR A 92 -16.390 23.736 -5.853 1.00 0.00 C ATOM 1473 O THR A 92 -17.428 23.105 -5.880 1.00 0.00 O ATOM 1474 CB THR A 92 -14.231 22.816 -6.739 1.00 0.00 C ATOM 1475 OG1 THR A 92 -13.765 24.056 -7.255 1.00 0.00 O ATOM 1476 CG2 THR A 92 -15.092 22.115 -7.791 1.00 0.00 C ATOM 0 H THR A 92 -15.244 20.945 -5.568 1.00 0.00 H new ATOM 0 HA THR A 92 -14.562 23.734 -4.779 1.00 0.00 H new ATOM 0 HB THR A 92 -13.379 22.183 -6.489 1.00 0.00 H new ATOM 0 HG1 THR A 92 -12.841 23.955 -7.565 1.00 0.00 H new ATOM 0 HG21 THR A 92 -14.497 21.935 -8.687 1.00 0.00 H new ATOM 0 HG22 THR A 92 -15.448 21.164 -7.395 1.00 0.00 H new ATOM 0 HG23 THR A 92 -15.945 22.746 -8.042 1.00 0.00 H new ATOM 1484 N VAL A 93 -16.360 25.007 -6.144 1.00 0.00 N ATOM 1485 CA VAL A 93 -17.616 25.721 -6.519 1.00 0.00 C ATOM 1486 C VAL A 93 -17.601 26.044 -8.016 1.00 0.00 C ATOM 1487 O VAL A 93 -17.530 27.190 -8.412 1.00 0.00 O ATOM 1488 CB VAL A 93 -17.611 27.008 -5.692 1.00 0.00 C ATOM 1489 CG1 VAL A 93 -19.023 27.597 -5.667 1.00 0.00 C ATOM 1490 CG2 VAL A 93 -17.163 26.701 -4.260 1.00 0.00 C ATOM 0 H VAL A 93 -15.519 25.584 -6.139 1.00 0.00 H new ATOM 0 HA VAL A 93 -18.507 25.123 -6.326 1.00 0.00 H new ATOM 0 HB VAL A 93 -16.921 27.723 -6.139 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -19.024 28.515 -5.079 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -19.343 27.819 -6.685 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -19.709 26.878 -5.219 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -17.161 27.620 -3.674 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -17.850 25.985 -3.809 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -16.158 26.279 -4.276 1.00 0.00 H new ATOM 1500 N GLY A 94 -17.662 25.041 -8.849 1.00 0.00 N ATOM 1501 CA GLY A 94 -17.644 25.291 -10.318 1.00 0.00 C ATOM 1502 C GLY A 94 -16.314 24.804 -10.893 1.00 0.00 C ATOM 1503 O GLY A 94 -15.532 25.577 -11.407 1.00 0.00 O ATOM 0 H GLY A 94 -17.723 24.060 -8.576 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -18.474 24.772 -10.798 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -17.774 26.354 -10.520 1.00 0.00 H new ATOM 1507 N ALA A 95 -16.047 23.528 -10.801 1.00 0.00 N ATOM 1508 CA ALA A 95 -14.761 22.990 -11.331 1.00 0.00 C ATOM 1509 C ALA A 95 -14.737 21.463 -11.226 1.00 0.00 C ATOM 1510 O ALA A 95 -15.763 20.816 -11.220 1.00 0.00 O ATOM 1511 CB ALA A 95 -13.691 23.590 -10.421 1.00 0.00 C ATOM 0 H ALA A 95 -16.666 22.834 -10.381 1.00 0.00 H new ATOM 0 HA ALA A 95 -14.611 23.241 -12.381 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -12.707 23.246 -10.740 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -13.731 24.678 -10.480 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -13.870 23.276 -9.393 1.00 0.00 H new ATOM 1517 N TYR A 96 -13.560 20.897 -11.126 1.00 0.00 N ATOM 1518 CA TYR A 96 -13.420 19.414 -10.998 1.00 0.00 C ATOM 1519 C TYR A 96 -11.934 19.047 -10.990 1.00 0.00 C ATOM 1520 O TYR A 96 -11.212 19.326 -11.927 1.00 0.00 O ATOM 1521 CB TYR A 96 -14.121 18.808 -12.215 1.00 0.00 C ATOM 1522 CG TYR A 96 -13.314 19.057 -13.466 1.00 0.00 C ATOM 1523 CD1 TYR A 96 -13.037 20.366 -13.882 1.00 0.00 C ATOM 1524 CD2 TYR A 96 -12.849 17.971 -14.219 1.00 0.00 C ATOM 1525 CE1 TYR A 96 -12.295 20.587 -15.049 1.00 0.00 C ATOM 1526 CE2 TYR A 96 -12.107 18.193 -15.385 1.00 0.00 C ATOM 1527 CZ TYR A 96 -11.831 19.501 -15.800 1.00 0.00 C ATOM 1528 OH TYR A 96 -11.099 19.719 -16.950 1.00 0.00 O ATOM 0 H TYR A 96 -12.677 21.408 -11.128 1.00 0.00 H new ATOM 0 HA TYR A 96 -13.861 19.039 -10.075 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -14.255 17.736 -12.069 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -15.115 19.242 -12.324 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -13.396 21.204 -13.303 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -13.063 16.962 -13.900 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -12.081 21.596 -15.370 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -11.748 17.355 -15.964 1.00 0.00 H new ATOM 0 HH TYR A 96 -10.956 20.681 -17.069 1.00 0.00 H new ATOM 1538 N LEU A 97 -11.466 18.447 -9.931 1.00 0.00 N ATOM 1539 CA LEU A 97 -10.020 18.092 -9.858 1.00 0.00 C ATOM 1540 C LEU A 97 -9.803 16.588 -10.039 1.00 0.00 C ATOM 1541 O LEU A 97 -9.874 15.832 -9.090 1.00 0.00 O ATOM 1542 CB LEU A 97 -9.582 18.519 -8.458 1.00 0.00 C ATOM 1543 CG LEU A 97 -8.983 19.925 -8.514 1.00 0.00 C ATOM 1544 CD1 LEU A 97 -10.102 20.962 -8.402 1.00 0.00 C ATOM 1545 CD2 LEU A 97 -8.002 20.106 -7.353 1.00 0.00 C ATOM 0 H LEU A 97 -12.020 18.187 -9.115 1.00 0.00 H new ATOM 0 HA LEU A 97 -9.450 18.582 -10.647 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -10.434 18.503 -7.779 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -8.848 17.815 -8.065 1.00 0.00 H new ATOM 0 HG LEU A 97 -8.458 20.059 -9.460 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -9.675 21.964 -8.442 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -10.802 20.833 -9.228 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -10.628 20.829 -7.457 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -7.574 21.108 -7.391 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -8.528 19.972 -6.408 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -7.204 19.367 -7.432 1.00 0.00 H new ATOM 1557 N PRO A 98 -9.513 16.207 -11.253 1.00 0.00 N ATOM 1558 CA PRO A 98 -9.245 14.784 -11.554 1.00 0.00 C ATOM 1559 C PRO A 98 -7.854 14.421 -11.032 1.00 0.00 C ATOM 1560 O PRO A 98 -6.870 14.521 -11.737 1.00 0.00 O ATOM 1561 CB PRO A 98 -9.295 14.721 -13.077 1.00 0.00 C ATOM 1562 CG PRO A 98 -8.970 16.109 -13.535 1.00 0.00 C ATOM 1563 CD PRO A 98 -9.413 17.055 -12.447 1.00 0.00 C ATOM 0 HA PRO A 98 -9.950 14.091 -11.094 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -8.577 13.999 -13.466 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -10.280 14.411 -13.427 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -7.901 16.212 -13.722 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -9.480 16.334 -14.471 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -8.694 17.862 -12.304 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -10.370 17.519 -12.687 1.00 0.00 H new ATOM 1571 N ALA A 99 -7.764 14.030 -9.791 1.00 0.00 N ATOM 1572 CA ALA A 99 -6.437 13.688 -9.201 1.00 0.00 C ATOM 1573 C ALA A 99 -5.665 12.718 -10.097 1.00 0.00 C ATOM 1574 O ALA A 99 -6.060 12.424 -11.207 1.00 0.00 O ATOM 1575 CB ALA A 99 -6.753 13.030 -7.864 1.00 0.00 C ATOM 0 H ALA A 99 -8.556 13.932 -9.156 1.00 0.00 H new ATOM 0 HA ALA A 99 -5.811 14.573 -9.092 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -5.824 12.749 -7.368 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -7.303 13.730 -7.235 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -7.359 12.139 -8.031 1.00 0.00 H new ATOM 1581 N VAL A 100 -4.555 12.228 -9.618 1.00 0.00 N ATOM 1582 CA VAL A 100 -3.737 11.287 -10.436 1.00 0.00 C ATOM 1583 C VAL A 100 -4.003 9.835 -10.012 1.00 0.00 C ATOM 1584 O VAL A 100 -4.545 9.055 -10.768 1.00 0.00 O ATOM 1585 CB VAL A 100 -2.281 11.685 -10.161 1.00 0.00 C ATOM 1586 CG1 VAL A 100 -1.390 11.172 -11.295 1.00 0.00 C ATOM 1587 CG2 VAL A 100 -2.167 13.213 -10.087 1.00 0.00 C ATOM 0 H VAL A 100 -4.178 12.439 -8.694 1.00 0.00 H new ATOM 0 HA VAL A 100 -3.977 11.345 -11.498 1.00 0.00 H new ATOM 0 HB VAL A 100 -1.963 11.249 -9.214 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -0.355 11.454 -11.101 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -1.465 10.086 -11.354 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -1.714 11.610 -12.239 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -1.131 13.492 -9.892 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -2.487 13.648 -11.034 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -2.801 13.587 -9.283 1.00 0.00 H new ATOM 1597 N PHE A 101 -3.630 9.462 -8.814 1.00 0.00 N ATOM 1598 CA PHE A 101 -3.873 8.057 -8.367 1.00 0.00 C ATOM 1599 C PHE A 101 -5.113 7.984 -7.473 1.00 0.00 C ATOM 1600 O PHE A 101 -5.270 7.067 -6.691 1.00 0.00 O ATOM 1601 CB PHE A 101 -2.634 7.665 -7.564 1.00 0.00 C ATOM 1602 CG PHE A 101 -1.416 7.597 -8.461 1.00 0.00 C ATOM 1603 CD1 PHE A 101 -1.557 7.537 -9.855 1.00 0.00 C ATOM 1604 CD2 PHE A 101 -0.137 7.586 -7.890 1.00 0.00 C ATOM 1605 CE1 PHE A 101 -0.421 7.467 -10.672 1.00 0.00 C ATOM 1606 CE2 PHE A 101 0.997 7.517 -8.707 1.00 0.00 C ATOM 1607 CZ PHE A 101 0.855 7.457 -10.097 1.00 0.00 C ATOM 0 H PHE A 101 -3.171 10.064 -8.131 1.00 0.00 H new ATOM 0 HA PHE A 101 -4.044 7.393 -9.214 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -2.466 8.390 -6.768 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -2.795 6.699 -7.086 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -2.542 7.545 -10.299 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -0.026 7.631 -6.817 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -0.530 7.421 -11.745 1.00 0.00 H new ATOM 0 HE2 PHE A 101 1.982 7.510 -8.264 1.00 0.00 H new ATOM 0 HZ PHE A 101 1.730 7.403 -10.727 1.00 0.00 H new ATOM 1617 N GLU A 102 -5.995 8.937 -7.574 1.00 0.00 N ATOM 1618 CA GLU A 102 -7.216 8.906 -6.719 1.00 0.00 C ATOM 1619 C GLU A 102 -8.461 8.651 -7.575 1.00 0.00 C ATOM 1620 O GLU A 102 -8.776 9.407 -8.472 1.00 0.00 O ATOM 1621 CB GLU A 102 -7.279 10.288 -6.071 1.00 0.00 C ATOM 1622 CG GLU A 102 -6.433 10.298 -4.797 1.00 0.00 C ATOM 1623 CD GLU A 102 -7.347 10.191 -3.577 1.00 0.00 C ATOM 1624 OE1 GLU A 102 -8.277 10.977 -3.486 1.00 0.00 O ATOM 1625 OE2 GLU A 102 -7.104 9.324 -2.755 1.00 0.00 O ATOM 0 H GLU A 102 -5.926 9.733 -8.208 1.00 0.00 H new ATOM 0 HA GLU A 102 -7.179 8.109 -5.976 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -6.915 11.044 -6.767 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -8.312 10.543 -5.835 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -5.727 9.467 -4.810 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -5.845 11.215 -4.745 1.00 0.00 H new ATOM 1632 N GLU A 103 -9.168 7.588 -7.303 1.00 0.00 N ATOM 1633 CA GLU A 103 -10.392 7.278 -8.097 1.00 0.00 C ATOM 1634 C GLU A 103 -11.643 7.712 -7.330 1.00 0.00 C ATOM 1635 O GLU A 103 -11.632 7.821 -6.118 1.00 0.00 O ATOM 1636 CB GLU A 103 -10.374 5.759 -8.270 1.00 0.00 C ATOM 1637 CG GLU A 103 -9.520 5.395 -9.485 1.00 0.00 C ATOM 1638 CD GLU A 103 -10.429 4.949 -10.631 1.00 0.00 C ATOM 1639 OE1 GLU A 103 -11.519 5.486 -10.739 1.00 0.00 O ATOM 1640 OE2 GLU A 103 -10.019 4.079 -11.381 1.00 0.00 O ATOM 0 H GLU A 103 -8.951 6.919 -6.564 1.00 0.00 H new ATOM 0 HA GLU A 103 -10.407 7.800 -9.054 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -9.972 5.285 -7.374 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -11.389 5.385 -8.400 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -8.922 6.253 -9.793 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -8.823 4.597 -9.228 1.00 0.00 H new ATOM 1647 N VAL A 104 -12.723 7.959 -8.023 1.00 0.00 N ATOM 1648 CA VAL A 104 -13.966 8.382 -7.321 1.00 0.00 C ATOM 1649 C VAL A 104 -14.701 7.165 -6.769 1.00 0.00 C ATOM 1650 O VAL A 104 -14.817 6.144 -7.419 1.00 0.00 O ATOM 1651 CB VAL A 104 -14.824 9.081 -8.376 1.00 0.00 C ATOM 1652 CG1 VAL A 104 -13.963 10.055 -9.175 1.00 0.00 C ATOM 1653 CG2 VAL A 104 -15.427 8.038 -9.320 1.00 0.00 C ATOM 0 H VAL A 104 -12.797 7.886 -9.038 1.00 0.00 H new ATOM 0 HA VAL A 104 -13.747 9.040 -6.480 1.00 0.00 H new ATOM 0 HB VAL A 104 -15.626 9.630 -7.882 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -14.577 10.552 -9.926 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -13.538 10.801 -8.503 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -13.158 9.509 -9.667 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -16.038 8.538 -10.071 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -14.626 7.486 -9.812 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -16.047 7.346 -8.750 1.00 0.00 H new ATOM 1663 N LEU A 105 -15.210 7.269 -5.579 1.00 0.00 N ATOM 1664 CA LEU A 105 -15.951 6.129 -4.984 1.00 0.00 C ATOM 1665 C LEU A 105 -17.451 6.337 -5.199 1.00 0.00 C ATOM 1666 O LEU A 105 -18.252 5.454 -4.959 1.00 0.00 O ATOM 1667 CB LEU A 105 -15.601 6.173 -3.495 1.00 0.00 C ATOM 1668 CG LEU A 105 -14.216 5.555 -3.256 1.00 0.00 C ATOM 1669 CD1 LEU A 105 -13.251 5.965 -4.373 1.00 0.00 C ATOM 1670 CD2 LEU A 105 -13.671 6.053 -1.916 1.00 0.00 C ATOM 0 H LEU A 105 -15.145 8.099 -4.989 1.00 0.00 H new ATOM 0 HA LEU A 105 -15.691 5.168 -5.428 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -15.613 7.204 -3.142 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -16.353 5.631 -2.921 1.00 0.00 H new ATOM 0 HG LEU A 105 -14.308 4.469 -3.246 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -12.273 5.520 -4.191 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -13.635 5.617 -5.332 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -13.157 7.051 -4.393 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -12.687 5.618 -1.739 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -13.589 7.140 -1.938 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -14.348 5.756 -1.115 1.00 0.00 H new ATOM 1682 N ASP A 106 -17.829 7.508 -5.660 1.00 0.00 N ATOM 1683 CA ASP A 106 -19.273 7.815 -5.907 1.00 0.00 C ATOM 1684 C ASP A 106 -19.476 9.330 -5.949 1.00 0.00 C ATOM 1685 O ASP A 106 -18.542 10.087 -6.121 1.00 0.00 O ATOM 1686 CB ASP A 106 -20.042 7.220 -4.723 1.00 0.00 C ATOM 1687 CG ASP A 106 -20.782 5.963 -5.179 1.00 0.00 C ATOM 1688 OD1 ASP A 106 -21.580 6.069 -6.095 1.00 0.00 O ATOM 1689 OD2 ASP A 106 -20.538 4.915 -4.604 1.00 0.00 O ATOM 0 H ASP A 106 -17.189 8.272 -5.878 1.00 0.00 H new ATOM 0 HA ASP A 106 -19.617 7.401 -6.855 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -19.354 6.977 -3.913 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -20.750 7.950 -4.331 1.00 0.00 H new ATOM 1694 N LEU A 107 -20.688 9.781 -5.772 1.00 0.00 N ATOM 1695 CA LEU A 107 -20.942 11.249 -5.779 1.00 0.00 C ATOM 1696 C LEU A 107 -21.930 11.624 -4.669 1.00 0.00 C ATOM 1697 O LEU A 107 -22.781 10.843 -4.293 1.00 0.00 O ATOM 1698 CB LEU A 107 -21.482 11.584 -7.187 1.00 0.00 C ATOM 1699 CG LEU A 107 -22.957 11.170 -7.372 1.00 0.00 C ATOM 1700 CD1 LEU A 107 -23.162 9.709 -6.973 1.00 0.00 C ATOM 1701 CD2 LEU A 107 -23.872 12.066 -6.532 1.00 0.00 C ATOM 0 H LEU A 107 -21.511 9.198 -5.623 1.00 0.00 H new ATOM 0 HA LEU A 107 -20.038 11.824 -5.579 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -21.384 12.655 -7.364 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -20.871 11.080 -7.936 1.00 0.00 H new ATOM 0 HG LEU A 107 -23.211 11.286 -8.426 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -24.209 9.438 -7.111 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -22.536 9.070 -7.596 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -22.888 9.576 -5.927 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -24.909 11.761 -6.673 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -23.606 11.972 -5.479 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -23.753 13.103 -6.845 1.00 0.00 H new ATOM 1713 N VAL A 108 -21.824 12.813 -4.140 1.00 0.00 N ATOM 1714 CA VAL A 108 -22.762 13.232 -3.056 1.00 0.00 C ATOM 1715 C VAL A 108 -23.290 14.640 -3.331 1.00 0.00 C ATOM 1716 O VAL A 108 -22.568 15.504 -3.776 1.00 0.00 O ATOM 1717 CB VAL A 108 -21.927 13.219 -1.774 1.00 0.00 C ATOM 1718 CG1 VAL A 108 -20.806 14.256 -1.875 1.00 0.00 C ATOM 1719 CG2 VAL A 108 -22.828 13.559 -0.584 1.00 0.00 C ATOM 0 H VAL A 108 -21.131 13.511 -4.410 1.00 0.00 H new ATOM 0 HA VAL A 108 -23.627 12.572 -2.985 1.00 0.00 H new ATOM 0 HB VAL A 108 -21.489 12.230 -1.636 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -20.214 14.243 -0.960 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -20.166 14.018 -2.724 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -21.238 15.247 -2.013 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -22.238 13.551 0.333 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -23.263 14.548 -0.728 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -23.626 12.820 -0.509 1.00 0.00 H new ATOM 1729 N ASP A 109 -24.543 14.885 -3.068 1.00 0.00 N ATOM 1730 CA ASP A 109 -25.099 16.244 -3.317 1.00 0.00 C ATOM 1731 C ASP A 109 -25.286 16.984 -1.991 1.00 0.00 C ATOM 1732 O ASP A 109 -26.043 16.567 -1.138 1.00 0.00 O ATOM 1733 CB ASP A 109 -26.448 16.006 -3.995 1.00 0.00 C ATOM 1734 CG ASP A 109 -26.562 16.900 -5.230 1.00 0.00 C ATOM 1735 OD1 ASP A 109 -26.275 18.080 -5.112 1.00 0.00 O ATOM 1736 OD2 ASP A 109 -26.935 16.389 -6.273 1.00 0.00 O ATOM 0 H ASP A 109 -25.204 14.205 -2.693 1.00 0.00 H new ATOM 0 HA ASP A 109 -24.439 16.855 -3.934 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -26.544 14.959 -4.281 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -27.260 16.222 -3.300 1.00 0.00 H new ATOM 1741 N ALA A 110 -24.601 18.081 -1.809 1.00 0.00 N ATOM 1742 CA ALA A 110 -24.748 18.840 -0.534 1.00 0.00 C ATOM 1743 C ALA A 110 -26.223 19.158 -0.281 1.00 0.00 C ATOM 1744 O ALA A 110 -26.881 18.516 0.513 1.00 0.00 O ATOM 1745 CB ALA A 110 -23.954 20.128 -0.744 1.00 0.00 C ATOM 0 H ALA A 110 -23.950 18.482 -2.484 1.00 0.00 H new ATOM 0 HA ALA A 110 -24.388 18.276 0.327 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -24.014 20.743 0.154 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -22.911 19.884 -0.948 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -24.369 20.678 -1.589 1.00 0.00 H new