USER MOD reduce.3.24.130724 H: found=0, std=0, add=867, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 864 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 7 SER OG : rot 180:sc= -0.0604 USER MOD Single : A 8 THR OG1 : rot -170:sc= -0.603 USER MOD Single : A 19 ASN : amide:sc= -2.78! K(o=-2.8!,f=-1.1) USER MOD Single : A 21 THR OG1 : rot -81:sc= 0.458 USER MOD Single : A 22 GLN : amide:sc= -4.59! C(o=-4.6!,f=-4.6!) USER MOD Single : A 23 ASN : amide:sc= -7.16! C(o=-7.2!,f=-0.94!) USER MOD Single : A 24 GLN : amide:sc= -1.55 K(o=-1.6,f=-6.3!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -1.58! K(o=-1.6!,f=-0.029) USER MOD Single : A 32 SER OG : rot 180:sc= -0.52 USER MOD Single : A 33 MET CE :methyl -161:sc= -0.361 (180deg=-1.15) USER MOD Single : A 36 SER OG : rot -96:sc=-0.00986 USER MOD Single : A 38 ASN : amide:sc= -0.997 K(o=-1,f=-0.16) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.443 USER MOD Single : A 43 MET CE :methyl -156:sc= -0.234 (180deg=-1.63) USER MOD Single : A 44 TYR OH : rot 141:sc= -1.41 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 0.685 K(o=0.68,f=-0.54) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -0.0318 K(o=-0.032,f=-1.2) USER MOD Single : A 66 MET CE :methyl -171:sc= -0.625 (180deg=-0.787) USER MOD Single : A 68 SER OG : rot 75:sc= 0.0909 USER MOD Single : A 73 HIS : no HD1:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0.121 USER MOD Single : A 79 GLN : amide:sc= -0.237 X(o=-0.24,f=-0.24) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot -34:sc= 0.641 USER MOD Single : A 84 HIS : no HD1:sc= -6.02! C(o=-6!,f=-6.6!) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 GLN : amide:sc= -1.97! K(o=-2!,f=0) USER MOD Single : A 97 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0977) USER MOD Single : A 102 HIS : no HD1:sc= -2.93 X(o=-2.9,f=-3.2) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0816) USER MOD Single : A 113 ASN : amide:sc= -0.234 K(o=-0.23,f=-1.7!) USER MOD ----------------------------------------------------------------- ATOM 57 N PRO A 5 17.979 5.090 4.867 1.00 0.00 N ATOM 58 CA PRO A 5 17.816 5.888 3.615 1.00 0.00 C ATOM 59 C PRO A 5 16.533 5.504 2.841 1.00 0.00 C ATOM 60 O PRO A 5 15.942 4.473 3.097 1.00 0.00 O ATOM 61 CB PRO A 5 19.088 5.536 2.818 1.00 0.00 C ATOM 62 CG PRO A 5 19.779 4.350 3.516 1.00 0.00 C ATOM 63 CD PRO A 5 19.176 4.199 4.924 1.00 0.00 C ATOM 0 HA PRO A 5 17.705 6.956 3.804 1.00 0.00 H new ATOM 0 HB2 PRO A 5 18.833 5.277 1.790 1.00 0.00 H new ATOM 0 HB3 PRO A 5 19.759 6.394 2.773 1.00 0.00 H new ATOM 0 HG2 PRO A 5 19.635 3.435 2.941 1.00 0.00 H new ATOM 0 HG3 PRO A 5 20.854 4.521 3.580 1.00 0.00 H new ATOM 0 HD2 PRO A 5 18.902 3.166 5.138 1.00 0.00 H new ATOM 0 HD3 PRO A 5 19.876 4.510 5.700 1.00 0.00 H new ATOM 71 N PRO A 6 16.100 6.330 1.909 1.00 0.00 N ATOM 72 CA PRO A 6 14.861 6.037 1.124 1.00 0.00 C ATOM 73 C PRO A 6 14.948 4.733 0.311 1.00 0.00 C ATOM 74 O PRO A 6 14.041 3.925 0.325 1.00 0.00 O ATOM 75 CB PRO A 6 14.753 7.263 0.192 1.00 0.00 C ATOM 76 CG PRO A 6 16.032 8.110 0.346 1.00 0.00 C ATOM 77 CD PRO A 6 16.805 7.603 1.574 1.00 0.00 C ATOM 0 HA PRO A 6 13.995 5.885 1.769 1.00 0.00 H new ATOM 0 HB2 PRO A 6 14.634 6.942 -0.843 1.00 0.00 H new ATOM 0 HB3 PRO A 6 13.874 7.855 0.446 1.00 0.00 H new ATOM 0 HG2 PRO A 6 16.649 8.032 -0.549 1.00 0.00 H new ATOM 0 HG3 PRO A 6 15.777 9.163 0.466 1.00 0.00 H new ATOM 0 HD2 PRO A 6 17.858 7.434 1.347 1.00 0.00 H new ATOM 0 HD3 PRO A 6 16.766 8.315 2.398 1.00 0.00 H new ATOM 85 N SER A 7 16.016 4.534 -0.409 1.00 0.00 N ATOM 86 CA SER A 7 16.133 3.296 -1.231 1.00 0.00 C ATOM 87 C SER A 7 16.064 2.069 -0.325 1.00 0.00 C ATOM 88 O SER A 7 15.440 1.080 -0.652 1.00 0.00 O ATOM 89 CB SER A 7 17.462 3.302 -1.988 1.00 0.00 C ATOM 90 OG SER A 7 18.536 3.185 -1.061 1.00 0.00 O ATOM 0 H SER A 7 16.810 5.171 -0.465 1.00 0.00 H new ATOM 0 HA SER A 7 15.312 3.262 -1.947 1.00 0.00 H new ATOM 0 HB2 SER A 7 17.491 2.478 -2.700 1.00 0.00 H new ATOM 0 HB3 SER A 7 17.562 4.223 -2.562 1.00 0.00 H new ATOM 0 HG SER A 7 19.388 3.187 -1.545 1.00 0.00 H new ATOM 96 N THR A 8 16.686 2.123 0.818 1.00 0.00 N ATOM 97 CA THR A 8 16.632 0.952 1.739 1.00 0.00 C ATOM 98 C THR A 8 15.207 0.801 2.267 1.00 0.00 C ATOM 99 O THR A 8 14.688 -0.290 2.380 1.00 0.00 O ATOM 100 CB THR A 8 17.601 1.164 2.905 1.00 0.00 C ATOM 101 OG1 THR A 8 18.920 1.304 2.396 1.00 0.00 O ATOM 102 CG2 THR A 8 17.545 -0.033 3.856 1.00 0.00 C ATOM 0 H THR A 8 17.226 2.920 1.154 1.00 0.00 H new ATOM 0 HA THR A 8 16.921 0.048 1.203 1.00 0.00 H new ATOM 0 HB THR A 8 17.318 2.064 3.450 1.00 0.00 H new ATOM 0 HG1 THR A 8 19.561 1.282 3.137 1.00 0.00 H new ATOM 0 HG21 THR A 8 18.237 0.126 4.683 1.00 0.00 H new ATOM 0 HG22 THR A 8 16.533 -0.141 4.246 1.00 0.00 H new ATOM 0 HG23 THR A 8 17.825 -0.939 3.318 1.00 0.00 H new ATOM 110 N ALA A 9 14.561 1.890 2.575 1.00 0.00 N ATOM 111 CA ALA A 9 13.163 1.804 3.078 1.00 0.00 C ATOM 112 C ALA A 9 12.296 1.136 2.009 1.00 0.00 C ATOM 113 O ALA A 9 11.451 0.314 2.302 1.00 0.00 O ATOM 114 CB ALA A 9 12.635 3.213 3.361 1.00 0.00 C ATOM 0 H ALA A 9 14.940 2.834 2.500 1.00 0.00 H new ATOM 0 HA ALA A 9 13.133 1.220 3.998 1.00 0.00 H new ATOM 0 HB1 ALA A 9 11.611 3.151 3.729 1.00 0.00 H new ATOM 0 HB2 ALA A 9 13.262 3.693 4.112 1.00 0.00 H new ATOM 0 HB3 ALA A 9 12.655 3.800 2.443 1.00 0.00 H new ATOM 120 N LEU A 10 12.506 1.480 0.767 1.00 0.00 N ATOM 121 CA LEU A 10 11.704 0.863 -0.326 1.00 0.00 C ATOM 122 C LEU A 10 12.016 -0.642 -0.383 1.00 0.00 C ATOM 123 O LEU A 10 11.130 -1.471 -0.447 1.00 0.00 O ATOM 124 CB LEU A 10 12.080 1.540 -1.661 1.00 0.00 C ATOM 125 CG LEU A 10 10.931 1.444 -2.689 1.00 0.00 C ATOM 126 CD1 LEU A 10 10.411 0.009 -2.781 1.00 0.00 C ATOM 127 CD2 LEU A 10 9.774 2.387 -2.306 1.00 0.00 C ATOM 0 H LEU A 10 13.200 2.163 0.463 1.00 0.00 H new ATOM 0 HA LEU A 10 10.638 0.999 -0.144 1.00 0.00 H new ATOM 0 HB2 LEU A 10 12.323 2.587 -1.483 1.00 0.00 H new ATOM 0 HB3 LEU A 10 12.975 1.070 -2.069 1.00 0.00 H new ATOM 0 HG LEU A 10 11.326 1.745 -3.660 1.00 0.00 H new ATOM 0 HD11 LEU A 10 9.602 -0.039 -3.510 1.00 0.00 H new ATOM 0 HD12 LEU A 10 11.220 -0.652 -3.093 1.00 0.00 H new ATOM 0 HD13 LEU A 10 10.040 -0.307 -1.806 1.00 0.00 H new ATOM 0 HD21 LEU A 10 8.976 2.303 -3.044 1.00 0.00 H new ATOM 0 HD22 LEU A 10 9.390 2.112 -1.324 1.00 0.00 H new ATOM 0 HD23 LEU A 10 10.136 3.415 -2.279 1.00 0.00 H new ATOM 139 N ARG A 11 13.273 -0.996 -0.362 1.00 0.00 N ATOM 140 CA ARG A 11 13.651 -2.440 -0.421 1.00 0.00 C ATOM 141 C ARG A 11 13.048 -3.181 0.773 1.00 0.00 C ATOM 142 O ARG A 11 12.505 -4.259 0.641 1.00 0.00 O ATOM 143 CB ARG A 11 15.174 -2.554 -0.357 1.00 0.00 C ATOM 144 CG ARG A 11 15.783 -2.030 -1.659 1.00 0.00 C ATOM 145 CD ARG A 11 17.308 -2.135 -1.588 1.00 0.00 C ATOM 146 NE ARG A 11 17.911 -1.409 -2.740 1.00 0.00 N ATOM 147 CZ ARG A 11 19.170 -1.066 -2.705 1.00 0.00 C ATOM 148 NH1 ARG A 11 19.897 -1.363 -1.662 1.00 0.00 N ATOM 149 NH2 ARG A 11 19.700 -0.425 -3.712 1.00 0.00 N ATOM 0 H ARG A 11 14.057 -0.346 -0.306 1.00 0.00 H new ATOM 0 HA ARG A 11 13.276 -2.877 -1.346 1.00 0.00 H new ATOM 0 HB2 ARG A 11 15.556 -1.984 0.490 1.00 0.00 H new ATOM 0 HB3 ARG A 11 15.465 -3.593 -0.200 1.00 0.00 H new ATOM 0 HG2 ARG A 11 15.407 -2.605 -2.506 1.00 0.00 H new ATOM 0 HG3 ARG A 11 15.486 -0.994 -1.820 1.00 0.00 H new ATOM 0 HD2 ARG A 11 17.669 -1.713 -0.650 1.00 0.00 H new ATOM 0 HD3 ARG A 11 17.612 -3.182 -1.605 1.00 0.00 H new ATOM 0 HE ARG A 11 17.341 -1.180 -3.555 1.00 0.00 H new ATOM 0 HH11 ARG A 11 19.481 -1.862 -0.876 1.00 0.00 H new ATOM 0 HH12 ARG A 11 20.881 -1.096 -1.633 1.00 0.00 H new ATOM 0 HH21 ARG A 11 19.130 -0.193 -4.525 1.00 0.00 H new ATOM 0 HH22 ARG A 11 20.684 -0.157 -3.685 1.00 0.00 H new ATOM 163 N GLU A 12 13.148 -2.606 1.938 1.00 0.00 N ATOM 164 CA GLU A 12 12.593 -3.257 3.156 1.00 0.00 C ATOM 165 C GLU A 12 11.080 -3.429 3.024 1.00 0.00 C ATOM 166 O GLU A 12 10.516 -4.411 3.466 1.00 0.00 O ATOM 167 CB GLU A 12 12.906 -2.383 4.372 1.00 0.00 C ATOM 168 CG GLU A 12 14.407 -2.438 4.663 1.00 0.00 C ATOM 169 CD GLU A 12 14.736 -1.498 5.824 1.00 0.00 C ATOM 170 OE1 GLU A 12 13.858 -0.749 6.220 1.00 0.00 O ATOM 171 OE2 GLU A 12 15.860 -1.543 6.297 1.00 0.00 O ATOM 0 H GLU A 12 13.595 -1.704 2.100 1.00 0.00 H new ATOM 0 HA GLU A 12 13.046 -4.241 3.277 1.00 0.00 H new ATOM 0 HB2 GLU A 12 12.598 -1.354 4.184 1.00 0.00 H new ATOM 0 HB3 GLU A 12 12.343 -2.731 5.238 1.00 0.00 H new ATOM 0 HG2 GLU A 12 14.703 -3.457 4.911 1.00 0.00 H new ATOM 0 HG3 GLU A 12 14.971 -2.149 3.776 1.00 0.00 H new ATOM 178 N LEU A 13 10.413 -2.473 2.442 1.00 0.00 N ATOM 179 CA LEU A 13 8.933 -2.573 2.310 1.00 0.00 C ATOM 180 C LEU A 13 8.564 -3.670 1.302 1.00 0.00 C ATOM 181 O LEU A 13 7.649 -4.437 1.526 1.00 0.00 O ATOM 182 CB LEU A 13 8.390 -1.219 1.835 1.00 0.00 C ATOM 183 CG LEU A 13 6.863 -1.272 1.684 1.00 0.00 C ATOM 184 CD1 LEU A 13 6.206 -1.601 3.034 1.00 0.00 C ATOM 185 CD2 LEU A 13 6.369 0.091 1.190 1.00 0.00 C ATOM 0 H LEU A 13 10.828 -1.627 2.052 1.00 0.00 H new ATOM 0 HA LEU A 13 8.494 -2.831 3.274 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.664 -0.441 2.548 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.846 -0.952 0.882 1.00 0.00 H new ATOM 0 HG LEU A 13 6.595 -2.049 0.968 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.123 -1.636 2.913 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.563 -2.569 3.386 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.465 -0.832 3.762 1.00 0.00 H new ATOM 0 HD21 LEU A 13 5.285 0.067 1.079 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.642 0.861 1.912 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.828 0.317 0.227 1.00 0.00 H new ATOM 197 N ILE A 14 9.261 -3.763 0.200 1.00 0.00 N ATOM 198 CA ILE A 14 8.925 -4.827 -0.793 1.00 0.00 C ATOM 199 C ILE A 14 9.162 -6.207 -0.169 1.00 0.00 C ATOM 200 O ILE A 14 8.367 -7.114 -0.320 1.00 0.00 O ATOM 201 CB ILE A 14 9.798 -4.674 -2.046 1.00 0.00 C ATOM 202 CG1 ILE A 14 9.436 -3.369 -2.764 1.00 0.00 C ATOM 203 CG2 ILE A 14 9.553 -5.858 -2.990 1.00 0.00 C ATOM 204 CD1 ILE A 14 10.436 -3.105 -3.894 1.00 0.00 C ATOM 0 H ILE A 14 10.040 -3.156 -0.054 1.00 0.00 H new ATOM 0 HA ILE A 14 7.877 -4.730 -1.075 1.00 0.00 H new ATOM 0 HB ILE A 14 10.848 -4.652 -1.755 1.00 0.00 H new ATOM 0 HG12 ILE A 14 8.426 -3.433 -3.168 1.00 0.00 H new ATOM 0 HG13 ILE A 14 9.445 -2.539 -2.057 1.00 0.00 H new ATOM 0 HG21 ILE A 14 10.173 -5.749 -3.880 1.00 0.00 H new ATOM 0 HG22 ILE A 14 9.809 -6.788 -2.482 1.00 0.00 H new ATOM 0 HG23 ILE A 14 8.503 -5.880 -3.281 1.00 0.00 H new ATOM 0 HD11 ILE A 14 10.175 -2.176 -4.402 1.00 0.00 H new ATOM 0 HD12 ILE A 14 11.440 -3.021 -3.479 1.00 0.00 H new ATOM 0 HD13 ILE A 14 10.405 -3.929 -4.607 1.00 0.00 H new ATOM 216 N GLU A 15 10.262 -6.377 0.514 1.00 0.00 N ATOM 217 CA GLU A 15 10.569 -7.700 1.132 1.00 0.00 C ATOM 218 C GLU A 15 9.476 -8.093 2.129 1.00 0.00 C ATOM 219 O GLU A 15 9.053 -9.230 2.182 1.00 0.00 O ATOM 220 CB GLU A 15 11.907 -7.610 1.867 1.00 0.00 C ATOM 221 CG GLU A 15 13.044 -7.482 0.851 1.00 0.00 C ATOM 222 CD GLU A 15 14.381 -7.390 1.589 1.00 0.00 C ATOM 223 OE1 GLU A 15 14.357 -7.244 2.800 1.00 0.00 O ATOM 224 OE2 GLU A 15 15.405 -7.462 0.931 1.00 0.00 O ATOM 0 H GLU A 15 10.964 -5.654 0.671 1.00 0.00 H new ATOM 0 HA GLU A 15 10.618 -8.454 0.346 1.00 0.00 H new ATOM 0 HB2 GLU A 15 11.907 -6.751 2.538 1.00 0.00 H new ATOM 0 HB3 GLU A 15 12.055 -8.497 2.484 1.00 0.00 H new ATOM 0 HG2 GLU A 15 13.045 -8.341 0.181 1.00 0.00 H new ATOM 0 HG3 GLU A 15 12.896 -6.596 0.233 1.00 0.00 H new ATOM 231 N GLU A 16 9.026 -7.169 2.932 1.00 0.00 N ATOM 232 CA GLU A 16 7.977 -7.507 3.935 1.00 0.00 C ATOM 233 C GLU A 16 6.643 -7.779 3.234 1.00 0.00 C ATOM 234 O GLU A 16 5.936 -8.708 3.570 1.00 0.00 O ATOM 235 CB GLU A 16 7.813 -6.328 4.896 1.00 0.00 C ATOM 236 CG GLU A 16 6.854 -6.698 6.032 1.00 0.00 C ATOM 237 CD GLU A 16 7.470 -7.808 6.886 1.00 0.00 C ATOM 238 OE1 GLU A 16 8.670 -8.009 6.785 1.00 0.00 O ATOM 239 OE2 GLU A 16 6.732 -8.438 7.624 1.00 0.00 O ATOM 0 H GLU A 16 9.338 -6.198 2.938 1.00 0.00 H new ATOM 0 HA GLU A 16 8.276 -8.401 4.483 1.00 0.00 H new ATOM 0 HB2 GLU A 16 8.783 -6.047 5.307 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.432 -5.461 4.357 1.00 0.00 H new ATOM 0 HG2 GLU A 16 6.650 -5.822 6.648 1.00 0.00 H new ATOM 0 HG3 GLU A 16 5.900 -7.029 5.622 1.00 0.00 H new ATOM 246 N LEU A 17 6.288 -6.979 2.266 1.00 0.00 N ATOM 247 CA LEU A 17 4.995 -7.205 1.557 1.00 0.00 C ATOM 248 C LEU A 17 5.026 -8.567 0.862 1.00 0.00 C ATOM 249 O LEU A 17 4.062 -9.307 0.875 1.00 0.00 O ATOM 250 CB LEU A 17 4.788 -6.112 0.505 1.00 0.00 C ATOM 251 CG LEU A 17 4.521 -4.760 1.184 1.00 0.00 C ATOM 252 CD1 LEU A 17 4.567 -3.657 0.122 1.00 0.00 C ATOM 253 CD2 LEU A 17 3.141 -4.759 1.874 1.00 0.00 C ATOM 0 H LEU A 17 6.833 -6.183 1.936 1.00 0.00 H new ATOM 0 HA LEU A 17 4.180 -7.178 2.280 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.670 -6.039 -0.131 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.950 -6.374 -0.141 1.00 0.00 H new ATOM 0 HG LEU A 17 5.283 -4.584 1.943 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.379 -2.692 0.592 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.550 -3.646 -0.349 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.805 -3.848 -0.634 1.00 0.00 H new ATOM 0 HD21 LEU A 17 2.972 -3.792 2.348 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.363 -4.940 1.132 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.111 -5.544 2.630 1.00 0.00 H new ATOM 265 N VAL A 18 6.128 -8.897 0.248 1.00 0.00 N ATOM 266 CA VAL A 18 6.236 -10.203 -0.461 1.00 0.00 C ATOM 267 C VAL A 18 6.186 -11.347 0.555 1.00 0.00 C ATOM 268 O VAL A 18 5.588 -12.377 0.322 1.00 0.00 O ATOM 269 CB VAL A 18 7.572 -10.241 -1.217 1.00 0.00 C ATOM 270 CG1 VAL A 18 7.822 -11.640 -1.789 1.00 0.00 C ATOM 271 CG2 VAL A 18 7.535 -9.230 -2.365 1.00 0.00 C ATOM 0 H VAL A 18 6.964 -8.314 0.207 1.00 0.00 H new ATOM 0 HA VAL A 18 5.408 -10.316 -1.161 1.00 0.00 H new ATOM 0 HB VAL A 18 8.375 -9.991 -0.524 1.00 0.00 H new ATOM 0 HG11 VAL A 18 8.773 -11.651 -2.322 1.00 0.00 H new ATOM 0 HG12 VAL A 18 7.854 -12.365 -0.976 1.00 0.00 H new ATOM 0 HG13 VAL A 18 7.018 -11.901 -2.477 1.00 0.00 H new ATOM 0 HG21 VAL A 18 8.483 -9.255 -2.903 1.00 0.00 H new ATOM 0 HG22 VAL A 18 6.724 -9.484 -3.047 1.00 0.00 H new ATOM 0 HG23 VAL A 18 7.372 -8.230 -1.964 1.00 0.00 H new ATOM 281 N ASN A 19 6.829 -11.176 1.672 1.00 0.00 N ATOM 282 CA ASN A 19 6.853 -12.251 2.703 1.00 0.00 C ATOM 283 C ASN A 19 5.438 -12.598 3.184 1.00 0.00 C ATOM 284 O ASN A 19 5.114 -13.750 3.395 1.00 0.00 O ATOM 285 CB ASN A 19 7.676 -11.759 3.896 1.00 0.00 C ATOM 286 CG ASN A 19 9.155 -11.676 3.510 1.00 0.00 C ATOM 287 OD1 ASN A 19 9.968 -11.200 4.278 1.00 0.00 O ATOM 288 ND2 ASN A 19 9.540 -12.114 2.343 1.00 0.00 N ATOM 0 H ASN A 19 7.344 -10.331 1.919 1.00 0.00 H new ATOM 0 HA ASN A 19 7.292 -13.147 2.264 1.00 0.00 H new ATOM 0 HB2 ASN A 19 7.319 -10.780 4.216 1.00 0.00 H new ATOM 0 HB3 ASN A 19 7.549 -12.436 4.741 1.00 0.00 H new ATOM 0 HD21 ASN A 19 10.523 -12.057 2.076 1.00 0.00 H new ATOM 0 HD22 ASN A 19 8.858 -12.514 1.698 1.00 0.00 H new ATOM 295 N ILE A 20 4.604 -11.619 3.395 1.00 0.00 N ATOM 296 CA ILE A 20 3.227 -11.901 3.905 1.00 0.00 C ATOM 297 C ILE A 20 2.263 -12.352 2.792 1.00 0.00 C ATOM 298 O ILE A 20 1.218 -12.902 3.081 1.00 0.00 O ATOM 299 CB ILE A 20 2.685 -10.647 4.601 1.00 0.00 C ATOM 300 CG1 ILE A 20 2.635 -9.476 3.616 1.00 0.00 C ATOM 301 CG2 ILE A 20 3.606 -10.282 5.766 1.00 0.00 C ATOM 302 CD1 ILE A 20 1.907 -8.295 4.261 1.00 0.00 C ATOM 0 H ILE A 20 4.814 -10.633 3.237 1.00 0.00 H new ATOM 0 HA ILE A 20 3.295 -12.728 4.612 1.00 0.00 H new ATOM 0 HB ILE A 20 1.678 -10.849 4.967 1.00 0.00 H new ATOM 0 HG12 ILE A 20 3.646 -9.182 3.332 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.122 -9.777 2.702 1.00 0.00 H new ATOM 0 HG21 ILE A 20 3.226 -9.391 6.265 1.00 0.00 H new ATOM 0 HG22 ILE A 20 3.640 -11.109 6.476 1.00 0.00 H new ATOM 0 HG23 ILE A 20 4.610 -10.086 5.389 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.872 -7.462 3.559 1.00 0.00 H new ATOM 0 HD12 ILE A 20 0.891 -8.592 4.522 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.438 -7.988 5.162 1.00 0.00 H new ATOM 314 N THR A 21 2.569 -12.115 1.532 1.00 0.00 N ATOM 315 CA THR A 21 1.611 -12.528 0.441 1.00 0.00 C ATOM 316 C THR A 21 2.045 -13.836 -0.239 1.00 0.00 C ATOM 317 O THR A 21 1.243 -14.503 -0.862 1.00 0.00 O ATOM 318 CB THR A 21 1.533 -11.426 -0.626 1.00 0.00 C ATOM 319 OG1 THR A 21 2.835 -11.170 -1.132 1.00 0.00 O ATOM 320 CG2 THR A 21 0.955 -10.139 -0.026 1.00 0.00 C ATOM 0 H THR A 21 3.425 -11.661 1.213 1.00 0.00 H new ATOM 0 HA THR A 21 0.638 -12.685 0.907 1.00 0.00 H new ATOM 0 HB THR A 21 0.880 -11.760 -1.433 1.00 0.00 H new ATOM 0 HG1 THR A 21 3.313 -10.573 -0.519 1.00 0.00 H new ATOM 0 HG21 THR A 21 0.907 -9.369 -0.796 1.00 0.00 H new ATOM 0 HG22 THR A 21 -0.047 -10.334 0.356 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.594 -9.798 0.789 1.00 0.00 H new ATOM 328 N GLN A 22 3.288 -14.217 -0.146 1.00 0.00 N ATOM 329 CA GLN A 22 3.716 -15.486 -0.814 1.00 0.00 C ATOM 330 C GLN A 22 3.207 -16.708 -0.045 1.00 0.00 C ATOM 331 O GLN A 22 2.844 -17.710 -0.628 1.00 0.00 O ATOM 332 CB GLN A 22 5.243 -15.545 -0.902 1.00 0.00 C ATOM 333 CG GLN A 22 5.735 -14.554 -1.956 1.00 0.00 C ATOM 334 CD GLN A 22 7.262 -14.618 -2.039 1.00 0.00 C ATOM 335 OE1 GLN A 22 7.856 -14.080 -2.952 1.00 0.00 O ATOM 336 NE2 GLN A 22 7.926 -15.261 -1.118 1.00 0.00 N ATOM 0 H GLN A 22 4.021 -13.715 0.356 1.00 0.00 H new ATOM 0 HA GLN A 22 3.289 -15.499 -1.817 1.00 0.00 H new ATOM 0 HB2 GLN A 22 5.682 -15.309 0.067 1.00 0.00 H new ATOM 0 HB3 GLN A 22 5.564 -16.554 -1.160 1.00 0.00 H new ATOM 0 HG2 GLN A 22 5.297 -14.790 -2.926 1.00 0.00 H new ATOM 0 HG3 GLN A 22 5.416 -13.544 -1.699 1.00 0.00 H new ATOM 0 HE21 GLN A 22 7.427 -15.713 -0.351 1.00 0.00 H new ATOM 0 HE22 GLN A 22 8.944 -15.312 -1.165 1.00 0.00 H new ATOM 345 N ASN A 23 3.207 -16.651 1.258 1.00 0.00 N ATOM 346 CA ASN A 23 2.755 -17.827 2.066 1.00 0.00 C ATOM 347 C ASN A 23 1.271 -17.712 2.445 1.00 0.00 C ATOM 348 O ASN A 23 0.760 -18.528 3.185 1.00 0.00 O ATOM 349 CB ASN A 23 3.596 -17.895 3.343 1.00 0.00 C ATOM 350 CG ASN A 23 3.263 -16.698 4.237 1.00 0.00 C ATOM 351 OD1 ASN A 23 3.693 -16.633 5.371 1.00 0.00 O ATOM 352 ND2 ASN A 23 2.504 -15.744 3.771 1.00 0.00 N ATOM 0 H ASN A 23 3.501 -15.840 1.803 1.00 0.00 H new ATOM 0 HA ASN A 23 2.882 -18.729 1.468 1.00 0.00 H new ATOM 0 HB2 ASN A 23 3.396 -18.826 3.874 1.00 0.00 H new ATOM 0 HB3 ASN A 23 4.657 -17.892 3.093 1.00 0.00 H new ATOM 0 HD21 ASN A 23 2.272 -14.944 4.359 1.00 0.00 H new ATOM 0 HD22 ASN A 23 2.143 -15.799 2.819 1.00 0.00 H new ATOM 359 N GLN A 24 0.569 -16.713 1.973 1.00 0.00 N ATOM 360 CA GLN A 24 -0.874 -16.588 2.355 1.00 0.00 C ATOM 361 C GLN A 24 -1.742 -17.480 1.458 1.00 0.00 C ATOM 362 O GLN A 24 -1.656 -17.431 0.247 1.00 0.00 O ATOM 363 CB GLN A 24 -1.326 -15.117 2.235 1.00 0.00 C ATOM 364 CG GLN A 24 -1.640 -14.745 0.775 1.00 0.00 C ATOM 365 CD GLN A 24 -1.885 -13.237 0.680 1.00 0.00 C ATOM 366 OE1 GLN A 24 -1.595 -12.504 1.604 1.00 0.00 O ATOM 367 NE2 GLN A 24 -2.410 -12.738 -0.407 1.00 0.00 N ATOM 0 H GLN A 24 0.924 -15.988 1.349 1.00 0.00 H new ATOM 0 HA GLN A 24 -0.992 -16.913 3.389 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -2.210 -14.955 2.852 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -0.544 -14.462 2.619 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -0.811 -15.032 0.128 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -2.518 -15.290 0.429 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -2.654 -13.352 -1.184 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -2.576 -11.734 -0.479 1.00 0.00 H new ATOM 376 N LYS A 25 -2.600 -18.275 2.043 1.00 0.00 N ATOM 377 CA LYS A 25 -3.496 -19.141 1.223 1.00 0.00 C ATOM 378 C LYS A 25 -4.730 -18.315 0.858 1.00 0.00 C ATOM 379 O LYS A 25 -4.830 -17.778 -0.227 1.00 0.00 O ATOM 380 CB LYS A 25 -3.904 -20.370 2.040 1.00 0.00 C ATOM 381 CG LYS A 25 -4.734 -21.320 1.171 1.00 0.00 C ATOM 382 CD LYS A 25 -5.128 -22.551 1.991 1.00 0.00 C ATOM 383 CE LYS A 25 -5.945 -23.508 1.120 1.00 0.00 C ATOM 384 NZ LYS A 25 -6.301 -24.717 1.915 1.00 0.00 N ATOM 0 H LYS A 25 -2.718 -18.361 3.052 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.990 -19.481 0.319 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -3.016 -20.883 2.410 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -4.481 -20.063 2.912 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -5.627 -20.811 0.808 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -4.161 -21.622 0.295 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -4.235 -23.054 2.363 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -5.710 -22.249 2.862 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -6.849 -23.013 0.765 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -5.372 -23.794 0.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -6.856 -25.369 1.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -5.432 -25.192 2.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -6.863 -24.435 2.743 1.00 0.00 H new ATOM 398 N ALA A 26 -5.653 -18.176 1.771 1.00 0.00 N ATOM 399 CA ALA A 26 -6.859 -17.346 1.494 1.00 0.00 C ATOM 400 C ALA A 26 -6.474 -15.874 1.729 1.00 0.00 C ATOM 401 O ALA A 26 -5.475 -15.595 2.362 1.00 0.00 O ATOM 402 CB ALA A 26 -8.004 -17.773 2.442 1.00 0.00 C ATOM 0 H ALA A 26 -5.623 -18.602 2.697 1.00 0.00 H new ATOM 0 HA ALA A 26 -7.203 -17.479 0.468 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -8.888 -17.167 2.241 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -8.240 -18.824 2.277 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -7.693 -17.629 3.477 1.00 0.00 H new ATOM 408 N PRO A 27 -7.246 -14.936 1.236 1.00 0.00 N ATOM 409 CA PRO A 27 -6.916 -13.499 1.439 1.00 0.00 C ATOM 410 C PRO A 27 -6.580 -13.195 2.908 1.00 0.00 C ATOM 411 O PRO A 27 -7.065 -13.848 3.811 1.00 0.00 O ATOM 412 CB PRO A 27 -8.209 -12.794 0.985 1.00 0.00 C ATOM 413 CG PRO A 27 -9.108 -13.833 0.277 1.00 0.00 C ATOM 414 CD PRO A 27 -8.481 -15.231 0.458 1.00 0.00 C ATOM 0 HA PRO A 27 -6.033 -13.174 0.889 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -8.728 -12.365 1.842 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -7.975 -11.971 0.309 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -10.114 -13.812 0.697 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -9.200 -13.594 -0.782 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -9.146 -15.907 0.995 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -8.254 -15.700 -0.499 1.00 0.00 H new ATOM 422 N LEU A 28 -5.748 -12.220 3.155 1.00 0.00 N ATOM 423 CA LEU A 28 -5.385 -11.896 4.564 1.00 0.00 C ATOM 424 C LEU A 28 -6.636 -11.464 5.326 1.00 0.00 C ATOM 425 O LEU A 28 -6.930 -11.962 6.394 1.00 0.00 O ATOM 426 CB LEU A 28 -4.372 -10.749 4.572 1.00 0.00 C ATOM 427 CG LEU A 28 -3.083 -11.185 3.866 1.00 0.00 C ATOM 428 CD1 LEU A 28 -2.160 -9.971 3.716 1.00 0.00 C ATOM 429 CD2 LEU A 28 -2.373 -12.287 4.679 1.00 0.00 C ATOM 0 H LEU A 28 -5.306 -11.636 2.445 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.952 -12.776 5.040 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.793 -9.877 4.072 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.153 -10.453 5.598 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.328 -11.585 2.882 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.240 -10.273 3.215 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.661 -9.204 3.125 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.921 -9.571 4.702 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.459 -12.587 4.165 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.124 -11.905 5.669 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.033 -13.149 4.778 1.00 0.00 H new ATOM 441 N CYS A 29 -7.379 -10.548 4.777 1.00 0.00 N ATOM 442 CA CYS A 29 -8.621 -10.084 5.455 1.00 0.00 C ATOM 443 C CYS A 29 -9.758 -11.046 5.118 1.00 0.00 C ATOM 444 O CYS A 29 -9.652 -11.844 4.209 1.00 0.00 O ATOM 445 CB CYS A 29 -8.972 -8.683 4.961 1.00 0.00 C ATOM 446 SG CYS A 29 -7.726 -7.508 5.545 1.00 0.00 S ATOM 0 H CYS A 29 -7.180 -10.098 3.884 1.00 0.00 H new ATOM 0 HA CYS A 29 -8.469 -10.058 6.534 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -9.017 -8.670 3.872 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -9.958 -8.394 5.324 1.00 0.00 H new ATOM 451 N ASN A 30 -10.846 -10.978 5.832 1.00 0.00 N ATOM 452 CA ASN A 30 -11.982 -11.891 5.531 1.00 0.00 C ATOM 453 C ASN A 30 -12.589 -11.510 4.177 1.00 0.00 C ATOM 454 O ASN A 30 -13.774 -11.268 4.062 1.00 0.00 O ATOM 455 CB ASN A 30 -13.046 -11.767 6.625 1.00 0.00 C ATOM 456 CG ASN A 30 -12.518 -12.352 7.941 1.00 0.00 C ATOM 457 OD1 ASN A 30 -13.037 -12.055 8.999 1.00 0.00 O ATOM 458 ND2 ASN A 30 -11.503 -13.175 7.925 1.00 0.00 N ATOM 0 H ASN A 30 -10.997 -10.333 6.607 1.00 0.00 H new ATOM 0 HA ASN A 30 -11.624 -12.920 5.495 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -13.315 -10.720 6.765 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -13.953 -12.291 6.323 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -11.149 -13.566 8.798 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -11.065 -13.427 7.039 1.00 0.00 H new ATOM 465 N GLY A 31 -11.782 -11.457 3.149 1.00 0.00 N ATOM 466 CA GLY A 31 -12.306 -11.094 1.799 1.00 0.00 C ATOM 467 C GLY A 31 -12.655 -9.602 1.755 1.00 0.00 C ATOM 468 O GLY A 31 -13.543 -9.186 1.038 1.00 0.00 O ATOM 0 H GLY A 31 -10.781 -11.650 3.187 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -11.561 -11.324 1.037 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -13.190 -11.689 1.571 1.00 0.00 H new ATOM 472 N SER A 32 -11.968 -8.794 2.518 1.00 0.00 N ATOM 473 CA SER A 32 -12.271 -7.332 2.517 1.00 0.00 C ATOM 474 C SER A 32 -12.003 -6.736 1.131 1.00 0.00 C ATOM 475 O SER A 32 -11.056 -7.096 0.453 1.00 0.00 O ATOM 476 CB SER A 32 -11.395 -6.620 3.548 1.00 0.00 C ATOM 477 OG SER A 32 -11.784 -7.022 4.854 1.00 0.00 O ATOM 0 H SER A 32 -11.212 -9.081 3.140 1.00 0.00 H new ATOM 0 HA SER A 32 -13.322 -7.194 2.771 1.00 0.00 H new ATOM 0 HB2 SER A 32 -10.346 -6.861 3.379 1.00 0.00 H new ATOM 0 HB3 SER A 32 -11.495 -5.540 3.443 1.00 0.00 H new ATOM 0 HG SER A 32 -11.223 -6.568 5.517 1.00 0.00 H new ATOM 483 N MET A 33 -12.834 -5.814 0.713 1.00 0.00 N ATOM 484 CA MET A 33 -12.661 -5.157 -0.620 1.00 0.00 C ATOM 485 C MET A 33 -12.188 -3.714 -0.401 1.00 0.00 C ATOM 486 O MET A 33 -12.533 -3.091 0.583 1.00 0.00 O ATOM 487 CB MET A 33 -14.008 -5.148 -1.344 1.00 0.00 C ATOM 488 CG MET A 33 -14.500 -6.585 -1.536 1.00 0.00 C ATOM 489 SD MET A 33 -13.461 -7.423 -2.762 1.00 0.00 S ATOM 490 CE MET A 33 -13.998 -6.494 -4.227 1.00 0.00 C ATOM 0 H MET A 33 -13.638 -5.484 1.247 1.00 0.00 H new ATOM 0 HA MET A 33 -11.927 -5.698 -1.217 1.00 0.00 H new ATOM 0 HB2 MET A 33 -14.737 -4.577 -0.769 1.00 0.00 H new ATOM 0 HB3 MET A 33 -13.909 -4.655 -2.311 1.00 0.00 H new ATOM 0 HG2 MET A 33 -14.466 -7.122 -0.588 1.00 0.00 H new ATOM 0 HG3 MET A 33 -15.539 -6.584 -1.865 1.00 0.00 H new ATOM 0 HE1 MET A 33 -13.746 -7.055 -5.127 1.00 0.00 H new ATOM 0 HE2 MET A 33 -15.076 -6.341 -4.186 1.00 0.00 H new ATOM 0 HE3 MET A 33 -13.495 -5.527 -4.250 1.00 0.00 H new ATOM 500 N VAL A 34 -11.397 -3.180 -1.304 1.00 0.00 N ATOM 501 CA VAL A 34 -10.889 -1.773 -1.146 1.00 0.00 C ATOM 502 C VAL A 34 -11.127 -0.980 -2.428 1.00 0.00 C ATOM 503 O VAL A 34 -11.321 -1.535 -3.490 1.00 0.00 O ATOM 504 CB VAL A 34 -9.390 -1.791 -0.851 1.00 0.00 C ATOM 505 CG1 VAL A 34 -9.136 -2.484 0.484 1.00 0.00 C ATOM 506 CG2 VAL A 34 -8.664 -2.548 -1.962 1.00 0.00 C ATOM 0 H VAL A 34 -11.079 -3.658 -2.147 1.00 0.00 H new ATOM 0 HA VAL A 34 -11.424 -1.304 -0.320 1.00 0.00 H new ATOM 0 HB VAL A 34 -9.019 -0.767 -0.802 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -8.066 -2.495 0.691 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -9.653 -1.945 1.278 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -9.507 -3.508 0.439 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -7.594 -2.562 -1.754 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -9.038 -3.571 -2.010 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -8.841 -2.052 -2.916 1.00 0.00 H new ATOM 516 N TRP A 35 -11.120 0.321 -2.326 1.00 0.00 N ATOM 517 CA TRP A 35 -11.354 1.172 -3.524 1.00 0.00 C ATOM 518 C TRP A 35 -10.111 1.185 -4.414 1.00 0.00 C ATOM 519 O TRP A 35 -9.012 1.431 -3.959 1.00 0.00 O ATOM 520 CB TRP A 35 -11.651 2.600 -3.071 1.00 0.00 C ATOM 521 CG TRP A 35 -12.972 2.647 -2.375 1.00 0.00 C ATOM 522 CD1 TRP A 35 -13.151 2.519 -1.041 1.00 0.00 C ATOM 523 CD2 TRP A 35 -14.296 2.835 -2.951 1.00 0.00 C ATOM 524 NE1 TRP A 35 -14.500 2.622 -0.759 1.00 0.00 N ATOM 525 CE2 TRP A 35 -15.248 2.817 -1.905 1.00 0.00 C ATOM 526 CE3 TRP A 35 -14.758 3.020 -4.266 1.00 0.00 C ATOM 527 CZ2 TRP A 35 -16.611 2.976 -2.155 1.00 0.00 C ATOM 528 CZ3 TRP A 35 -16.129 3.180 -4.521 1.00 0.00 C ATOM 529 CH2 TRP A 35 -17.053 3.158 -3.468 1.00 0.00 C ATOM 0 H TRP A 35 -10.961 0.833 -1.458 1.00 0.00 H new ATOM 0 HA TRP A 35 -12.195 0.769 -4.088 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -10.865 2.950 -2.402 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -11.659 3.270 -3.931 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -12.368 2.362 -0.314 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -14.895 2.562 0.179 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -14.054 3.039 -5.085 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -17.319 2.959 -1.340 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -16.474 3.321 -5.535 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -18.106 3.282 -3.671 1.00 0.00 H new ATOM 540 N SER A 36 -10.279 0.940 -5.685 1.00 0.00 N ATOM 541 CA SER A 36 -9.112 0.960 -6.610 1.00 0.00 C ATOM 542 C SER A 36 -8.637 2.404 -6.771 1.00 0.00 C ATOM 543 O SER A 36 -9.408 3.332 -6.628 1.00 0.00 O ATOM 544 CB SER A 36 -9.531 0.407 -7.972 1.00 0.00 C ATOM 545 OG SER A 36 -10.391 1.341 -8.611 1.00 0.00 O ATOM 0 H SER A 36 -11.175 0.727 -6.123 1.00 0.00 H new ATOM 0 HA SER A 36 -8.307 0.346 -6.206 1.00 0.00 H new ATOM 0 HB2 SER A 36 -8.652 0.223 -8.589 1.00 0.00 H new ATOM 0 HB3 SER A 36 -10.040 -0.549 -7.849 1.00 0.00 H new ATOM 0 HG SER A 36 -11.324 1.087 -8.454 1.00 0.00 H new ATOM 551 N ILE A 37 -7.378 2.608 -7.067 1.00 0.00 N ATOM 552 CA ILE A 37 -6.857 4.002 -7.240 1.00 0.00 C ATOM 553 C ILE A 37 -5.934 4.057 -8.454 1.00 0.00 C ATOM 554 O ILE A 37 -5.478 3.046 -8.949 1.00 0.00 O ATOM 555 CB ILE A 37 -6.071 4.424 -5.993 1.00 0.00 C ATOM 556 CG1 ILE A 37 -5.034 3.344 -5.637 1.00 0.00 C ATOM 557 CG2 ILE A 37 -7.038 4.616 -4.822 1.00 0.00 C ATOM 558 CD1 ILE A 37 -3.942 3.947 -4.746 1.00 0.00 C ATOM 0 H ILE A 37 -6.686 1.870 -7.197 1.00 0.00 H new ATOM 0 HA ILE A 37 -7.699 4.679 -7.386 1.00 0.00 H new ATOM 0 HB ILE A 37 -5.553 5.362 -6.194 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -5.520 2.516 -5.122 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -4.591 2.938 -6.546 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -6.480 4.916 -3.935 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -7.764 5.389 -5.073 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -7.559 3.680 -4.623 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -3.210 3.179 -4.497 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.447 4.760 -5.277 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -4.391 4.331 -3.830 1.00 0.00 H new ATOM 570 N ASN A 38 -5.638 5.236 -8.926 1.00 0.00 N ATOM 571 CA ASN A 38 -4.725 5.365 -10.094 1.00 0.00 C ATOM 572 C ASN A 38 -3.289 5.394 -9.573 1.00 0.00 C ATOM 573 O ASN A 38 -2.915 6.266 -8.814 1.00 0.00 O ATOM 574 CB ASN A 38 -5.031 6.668 -10.836 1.00 0.00 C ATOM 575 CG ASN A 38 -4.189 6.743 -12.111 1.00 0.00 C ATOM 576 OD1 ASN A 38 -3.733 7.804 -12.487 1.00 0.00 O ATOM 577 ND2 ASN A 38 -3.963 5.655 -12.797 1.00 0.00 N ATOM 0 H ASN A 38 -5.990 6.117 -8.552 1.00 0.00 H new ATOM 0 HA ASN A 38 -4.860 4.528 -10.779 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -6.091 6.716 -11.085 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -4.815 7.523 -10.195 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -3.403 5.696 -13.649 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -4.346 4.764 -12.481 1.00 0.00 H new ATOM 584 N LEU A 39 -2.485 4.438 -9.954 1.00 0.00 N ATOM 585 CA LEU A 39 -1.082 4.410 -9.452 1.00 0.00 C ATOM 586 C LEU A 39 -0.242 5.430 -10.226 1.00 0.00 C ATOM 587 O LEU A 39 -0.081 5.333 -11.426 1.00 0.00 O ATOM 588 CB LEU A 39 -0.484 3.009 -9.657 1.00 0.00 C ATOM 589 CG LEU A 39 -1.153 1.976 -8.726 1.00 0.00 C ATOM 590 CD1 LEU A 39 -0.956 2.366 -7.247 1.00 0.00 C ATOM 591 CD2 LEU A 39 -2.655 1.875 -9.047 1.00 0.00 C ATOM 0 H LEU A 39 -2.737 3.679 -10.588 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.078 4.657 -8.390 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.613 2.704 -10.695 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.588 3.036 -9.464 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.684 1.006 -8.893 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.435 1.624 -6.608 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.109 2.406 -7.020 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.402 3.344 -7.066 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -3.120 1.144 -8.386 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.125 2.848 -8.900 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.785 1.562 -10.083 1.00 0.00 H new ATOM 603 N THR A 40 0.297 6.411 -9.544 1.00 0.00 N ATOM 604 CA THR A 40 1.132 7.440 -10.235 1.00 0.00 C ATOM 605 C THR A 40 2.213 7.962 -9.281 1.00 0.00 C ATOM 606 O THR A 40 3.265 7.370 -9.140 1.00 0.00 O ATOM 607 CB THR A 40 0.243 8.606 -10.679 1.00 0.00 C ATOM 608 OG1 THR A 40 -0.545 9.040 -9.579 1.00 0.00 O ATOM 609 CG2 THR A 40 -0.675 8.155 -11.817 1.00 0.00 C ATOM 0 H THR A 40 0.194 6.543 -8.538 1.00 0.00 H new ATOM 0 HA THR A 40 1.607 6.988 -11.105 1.00 0.00 H new ATOM 0 HB THR A 40 0.870 9.426 -11.029 1.00 0.00 H new ATOM 0 HG1 THR A 40 -1.114 9.787 -9.859 1.00 0.00 H new ATOM 0 HG21 THR A 40 -1.305 8.988 -12.128 1.00 0.00 H new ATOM 0 HG22 THR A 40 -0.071 7.821 -12.661 1.00 0.00 H new ATOM 0 HG23 THR A 40 -1.304 7.334 -11.473 1.00 0.00 H new ATOM 617 N ALA A 41 1.965 9.080 -8.639 1.00 0.00 N ATOM 618 CA ALA A 41 2.977 9.670 -7.701 1.00 0.00 C ATOM 619 C ALA A 41 2.498 9.545 -6.250 1.00 0.00 C ATOM 620 O ALA A 41 3.074 8.826 -5.457 1.00 0.00 O ATOM 621 CB ALA A 41 3.157 11.151 -8.043 1.00 0.00 C ATOM 0 H ALA A 41 1.100 9.613 -8.725 1.00 0.00 H new ATOM 0 HA ALA A 41 3.921 9.135 -7.807 1.00 0.00 H new ATOM 0 HB1 ALA A 41 3.890 11.594 -7.369 1.00 0.00 H new ATOM 0 HB2 ALA A 41 3.505 11.247 -9.071 1.00 0.00 H new ATOM 0 HB3 ALA A 41 2.204 11.668 -7.933 1.00 0.00 H new ATOM 627 N GLY A 42 1.456 10.247 -5.893 1.00 0.00 N ATOM 628 CA GLY A 42 0.945 10.180 -4.490 1.00 0.00 C ATOM 629 C GLY A 42 0.384 8.785 -4.196 1.00 0.00 C ATOM 630 O GLY A 42 -0.618 8.639 -3.524 1.00 0.00 O ATOM 0 H GLY A 42 0.934 10.866 -6.513 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.749 10.411 -3.791 1.00 0.00 H new ATOM 0 HA3 GLY A 42 0.169 10.931 -4.342 1.00 0.00 H new ATOM 634 N MET A 43 1.013 7.760 -4.698 1.00 0.00 N ATOM 635 CA MET A 43 0.504 6.381 -4.450 1.00 0.00 C ATOM 636 C MET A 43 0.506 6.081 -2.949 1.00 0.00 C ATOM 637 O MET A 43 -0.426 5.509 -2.420 1.00 0.00 O ATOM 638 CB MET A 43 1.413 5.376 -5.155 1.00 0.00 C ATOM 639 CG MET A 43 1.396 5.646 -6.657 1.00 0.00 C ATOM 640 SD MET A 43 2.220 4.292 -7.532 1.00 0.00 S ATOM 641 CE MET A 43 3.831 4.450 -6.730 1.00 0.00 C ATOM 0 H MET A 43 1.857 7.816 -5.269 1.00 0.00 H new ATOM 0 HA MET A 43 -0.514 6.304 -4.833 1.00 0.00 H new ATOM 0 HB2 MET A 43 2.430 5.457 -4.771 1.00 0.00 H new ATOM 0 HB3 MET A 43 1.076 4.359 -4.953 1.00 0.00 H new ATOM 0 HG2 MET A 43 0.368 5.745 -7.006 1.00 0.00 H new ATOM 0 HG3 MET A 43 1.898 6.589 -6.872 1.00 0.00 H new ATOM 0 HE1 MET A 43 4.602 4.031 -7.376 1.00 0.00 H new ATOM 0 HE2 MET A 43 4.045 5.503 -6.547 1.00 0.00 H new ATOM 0 HE3 MET A 43 3.820 3.912 -5.782 1.00 0.00 H new ATOM 651 N TYR A 44 1.550 6.453 -2.259 1.00 0.00 N ATOM 652 CA TYR A 44 1.613 6.175 -0.795 1.00 0.00 C ATOM 653 C TYR A 44 0.453 6.879 -0.090 1.00 0.00 C ATOM 654 O TYR A 44 -0.206 6.316 0.762 1.00 0.00 O ATOM 655 CB TYR A 44 2.941 6.691 -0.237 1.00 0.00 C ATOM 656 CG TYR A 44 4.071 5.830 -0.756 1.00 0.00 C ATOM 657 CD1 TYR A 44 4.449 4.680 -0.056 1.00 0.00 C ATOM 658 CD2 TYR A 44 4.735 6.180 -1.938 1.00 0.00 C ATOM 659 CE1 TYR A 44 5.490 3.876 -0.537 1.00 0.00 C ATOM 660 CE2 TYR A 44 5.778 5.376 -2.419 1.00 0.00 C ATOM 661 CZ TYR A 44 6.154 4.223 -1.719 1.00 0.00 C ATOM 662 OH TYR A 44 7.179 3.430 -2.193 1.00 0.00 O ATOM 0 H TYR A 44 2.361 6.937 -2.645 1.00 0.00 H new ATOM 0 HA TYR A 44 1.540 5.101 -0.625 1.00 0.00 H new ATOM 0 HB2 TYR A 44 3.094 7.729 -0.533 1.00 0.00 H new ATOM 0 HB3 TYR A 44 2.923 6.670 0.853 1.00 0.00 H new ATOM 0 HD1 TYR A 44 3.938 4.412 0.857 1.00 0.00 H new ATOM 0 HD2 TYR A 44 4.444 7.068 -2.479 1.00 0.00 H new ATOM 0 HE1 TYR A 44 5.780 2.988 0.004 1.00 0.00 H new ATOM 0 HE2 TYR A 44 6.292 5.646 -3.330 1.00 0.00 H new ATOM 0 HH TYR A 44 7.124 3.374 -3.170 1.00 0.00 H new ATOM 672 N CYS A 45 0.199 8.106 -0.443 1.00 0.00 N ATOM 673 CA CYS A 45 -0.918 8.857 0.194 1.00 0.00 C ATOM 674 C CYS A 45 -2.253 8.229 -0.219 1.00 0.00 C ATOM 675 O CYS A 45 -3.061 7.851 0.609 1.00 0.00 O ATOM 676 CB CYS A 45 -0.861 10.309 -0.276 1.00 0.00 C ATOM 677 SG CYS A 45 0.859 10.871 -0.226 1.00 0.00 S ATOM 0 H CYS A 45 0.720 8.625 -1.150 1.00 0.00 H new ATOM 0 HA CYS A 45 -0.827 8.818 1.280 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -1.257 10.394 -1.288 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -1.482 10.937 0.363 1.00 0.00 H new ATOM 682 N ALA A 46 -2.487 8.120 -1.498 1.00 0.00 N ATOM 683 CA ALA A 46 -3.763 7.524 -1.985 1.00 0.00 C ATOM 684 C ALA A 46 -3.894 6.082 -1.488 1.00 0.00 C ATOM 685 O ALA A 46 -4.937 5.665 -1.019 1.00 0.00 O ATOM 686 CB ALA A 46 -3.767 7.534 -3.514 1.00 0.00 C ATOM 0 H ALA A 46 -1.845 8.420 -2.231 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.601 8.108 -1.605 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -4.698 7.099 -3.878 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -3.681 8.560 -3.871 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.924 6.950 -3.884 1.00 0.00 H new ATOM 692 N ALA A 47 -2.848 5.311 -1.596 1.00 0.00 N ATOM 693 CA ALA A 47 -2.920 3.898 -1.138 1.00 0.00 C ATOM 694 C ALA A 47 -3.246 3.853 0.354 1.00 0.00 C ATOM 695 O ALA A 47 -3.968 2.992 0.816 1.00 0.00 O ATOM 696 CB ALA A 47 -1.578 3.203 -1.385 1.00 0.00 C ATOM 0 H ALA A 47 -1.948 5.599 -1.981 1.00 0.00 H new ATOM 0 HA ALA A 47 -3.703 3.384 -1.696 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -1.637 2.168 -1.048 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.348 3.225 -2.450 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.793 3.721 -0.833 1.00 0.00 H new ATOM 702 N LEU A 48 -2.702 4.759 1.117 1.00 0.00 N ATOM 703 CA LEU A 48 -2.962 4.748 2.582 1.00 0.00 C ATOM 704 C LEU A 48 -4.459 4.903 2.872 1.00 0.00 C ATOM 705 O LEU A 48 -5.018 4.139 3.627 1.00 0.00 O ATOM 706 CB LEU A 48 -2.186 5.902 3.236 1.00 0.00 C ATOM 707 CG LEU A 48 -2.453 5.953 4.750 1.00 0.00 C ATOM 708 CD1 LEU A 48 -2.014 4.639 5.413 1.00 0.00 C ATOM 709 CD2 LEU A 48 -1.663 7.122 5.351 1.00 0.00 C ATOM 0 H LEU A 48 -2.089 5.506 0.789 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.632 3.794 2.993 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.118 5.777 3.055 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.478 6.847 2.779 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.520 6.091 4.926 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.209 4.689 6.484 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.573 3.809 4.981 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.948 4.485 5.245 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -1.844 7.169 6.425 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.599 6.974 5.168 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.984 8.055 4.888 1.00 0.00 H new ATOM 721 N GLU A 49 -5.118 5.879 2.299 1.00 0.00 N ATOM 722 CA GLU A 49 -6.575 6.046 2.601 1.00 0.00 C ATOM 723 C GLU A 49 -7.365 4.800 2.203 1.00 0.00 C ATOM 724 O GLU A 49 -8.266 4.386 2.906 1.00 0.00 O ATOM 725 CB GLU A 49 -7.149 7.277 1.885 1.00 0.00 C ATOM 726 CG GLU A 49 -6.667 7.325 0.437 1.00 0.00 C ATOM 727 CD GLU A 49 -7.258 8.559 -0.247 1.00 0.00 C ATOM 728 OE1 GLU A 49 -8.210 9.106 0.284 1.00 0.00 O ATOM 729 OE2 GLU A 49 -6.750 8.937 -1.288 1.00 0.00 O ATOM 0 H GLU A 49 -4.721 6.556 1.647 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.670 6.191 3.677 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.238 7.246 1.911 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -6.844 8.184 2.407 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -5.578 7.362 0.404 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -6.971 6.421 -0.091 1.00 0.00 H new ATOM 736 N SER A 50 -7.055 4.194 1.095 1.00 0.00 N ATOM 737 CA SER A 50 -7.823 2.982 0.697 1.00 0.00 C ATOM 738 C SER A 50 -7.669 1.908 1.777 1.00 0.00 C ATOM 739 O SER A 50 -8.604 1.207 2.110 1.00 0.00 O ATOM 740 CB SER A 50 -7.288 2.446 -0.630 1.00 0.00 C ATOM 741 OG SER A 50 -7.447 3.436 -1.637 1.00 0.00 O ATOM 0 H SER A 50 -6.314 4.478 0.454 1.00 0.00 H new ATOM 0 HA SER A 50 -8.876 3.242 0.583 1.00 0.00 H new ATOM 0 HB2 SER A 50 -6.236 2.179 -0.530 1.00 0.00 H new ATOM 0 HB3 SER A 50 -7.822 1.538 -0.910 1.00 0.00 H new ATOM 0 HG SER A 50 -7.103 3.095 -2.489 1.00 0.00 H new ATOM 747 N LEU A 51 -6.490 1.770 2.319 1.00 0.00 N ATOM 748 CA LEU A 51 -6.261 0.740 3.373 1.00 0.00 C ATOM 749 C LEU A 51 -6.986 1.137 4.667 1.00 0.00 C ATOM 750 O LEU A 51 -7.437 0.292 5.415 1.00 0.00 O ATOM 751 CB LEU A 51 -4.756 0.609 3.625 1.00 0.00 C ATOM 752 CG LEU A 51 -4.079 -0.046 2.405 1.00 0.00 C ATOM 753 CD1 LEU A 51 -2.557 0.064 2.548 1.00 0.00 C ATOM 754 CD2 LEU A 51 -4.475 -1.535 2.296 1.00 0.00 C ATOM 0 H LEU A 51 -5.672 2.329 2.076 1.00 0.00 H new ATOM 0 HA LEU A 51 -6.657 -0.219 3.039 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -4.322 1.592 3.810 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.578 0.009 4.517 1.00 0.00 H new ATOM 0 HG LEU A 51 -4.408 0.471 1.504 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.076 -0.399 1.686 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.272 1.115 2.602 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.239 -0.446 3.458 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.987 -1.979 1.428 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -4.162 -2.062 3.198 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -5.556 -1.617 2.185 1.00 0.00 H new ATOM 766 N ILE A 52 -7.111 2.412 4.939 1.00 0.00 N ATOM 767 CA ILE A 52 -7.819 2.838 6.186 1.00 0.00 C ATOM 768 C ILE A 52 -9.244 2.279 6.163 1.00 0.00 C ATOM 769 O ILE A 52 -9.914 2.223 7.175 1.00 0.00 O ATOM 770 CB ILE A 52 -7.864 4.377 6.271 1.00 0.00 C ATOM 771 CG1 ILE A 52 -6.456 4.953 6.515 1.00 0.00 C ATOM 772 CG2 ILE A 52 -8.791 4.822 7.404 1.00 0.00 C ATOM 773 CD1 ILE A 52 -5.820 4.375 7.791 1.00 0.00 C ATOM 0 H ILE A 52 -6.757 3.171 4.357 1.00 0.00 H new ATOM 0 HA ILE A 52 -7.285 2.456 7.056 1.00 0.00 H new ATOM 0 HB ILE A 52 -8.244 4.752 5.321 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -5.819 4.733 5.658 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -6.516 6.038 6.597 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -8.812 5.911 7.451 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -9.798 4.447 7.219 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -8.425 4.425 8.351 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.828 4.805 7.930 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -6.444 4.618 8.651 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -5.737 3.292 7.698 1.00 0.00 H new ATOM 785 N ASN A 53 -9.716 1.863 5.018 1.00 0.00 N ATOM 786 CA ASN A 53 -11.099 1.307 4.941 1.00 0.00 C ATOM 787 C ASN A 53 -11.072 -0.164 5.368 1.00 0.00 C ATOM 788 O ASN A 53 -12.095 -0.760 5.645 1.00 0.00 O ATOM 789 CB ASN A 53 -11.615 1.408 3.501 1.00 0.00 C ATOM 790 CG ASN A 53 -11.842 2.874 3.130 1.00 0.00 C ATOM 791 OD1 ASN A 53 -11.170 3.405 2.268 1.00 0.00 O ATOM 792 ND2 ASN A 53 -12.771 3.555 3.742 1.00 0.00 N ATOM 0 H ASN A 53 -9.206 1.884 4.135 1.00 0.00 H new ATOM 0 HA ASN A 53 -11.757 1.872 5.601 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -10.897 0.958 2.816 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -12.546 0.850 3.399 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -12.933 4.532 3.497 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -13.336 3.111 4.466 1.00 0.00 H new ATOM 799 N VAL A 54 -9.906 -0.752 5.430 1.00 0.00 N ATOM 800 CA VAL A 54 -9.804 -2.185 5.845 1.00 0.00 C ATOM 801 C VAL A 54 -9.633 -2.258 7.364 1.00 0.00 C ATOM 802 O VAL A 54 -8.733 -1.664 7.924 1.00 0.00 O ATOM 803 CB VAL A 54 -8.596 -2.828 5.158 1.00 0.00 C ATOM 804 CG1 VAL A 54 -8.542 -4.315 5.503 1.00 0.00 C ATOM 805 CG2 VAL A 54 -8.732 -2.671 3.644 1.00 0.00 C ATOM 0 H VAL A 54 -9.017 -0.302 5.211 1.00 0.00 H new ATOM 0 HA VAL A 54 -10.709 -2.719 5.555 1.00 0.00 H new ATOM 0 HB VAL A 54 -7.684 -2.340 5.500 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -7.682 -4.771 5.013 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -8.451 -4.435 6.583 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -9.455 -4.802 5.160 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -7.873 -3.128 3.152 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -9.646 -3.161 3.308 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -8.774 -1.612 3.390 1.00 0.00 H new ATOM 815 N SER A 55 -10.501 -2.978 8.034 1.00 0.00 N ATOM 816 CA SER A 55 -10.416 -3.097 9.527 1.00 0.00 C ATOM 817 C SER A 55 -10.424 -4.573 9.925 1.00 0.00 C ATOM 818 O SER A 55 -10.993 -5.408 9.250 1.00 0.00 O ATOM 819 CB SER A 55 -11.620 -2.400 10.156 1.00 0.00 C ATOM 820 OG SER A 55 -11.538 -1.003 9.903 1.00 0.00 O ATOM 0 H SER A 55 -11.271 -3.493 7.608 1.00 0.00 H new ATOM 0 HA SER A 55 -9.495 -2.632 9.877 1.00 0.00 H new ATOM 0 HB2 SER A 55 -12.545 -2.803 9.743 1.00 0.00 H new ATOM 0 HB3 SER A 55 -11.643 -2.586 11.230 1.00 0.00 H new ATOM 0 HG SER A 55 -12.310 -0.552 10.304 1.00 0.00 H new ATOM 826 N GLY A 56 -9.791 -4.903 11.019 1.00 0.00 N ATOM 827 CA GLY A 56 -9.755 -6.326 11.462 1.00 0.00 C ATOM 828 C GLY A 56 -8.637 -7.057 10.718 1.00 0.00 C ATOM 829 O GLY A 56 -8.737 -8.232 10.420 1.00 0.00 O ATOM 0 H GLY A 56 -9.297 -4.248 11.625 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -9.588 -6.380 12.538 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -10.714 -6.805 11.264 1.00 0.00 H new ATOM 833 N CYS A 57 -7.571 -6.366 10.413 1.00 0.00 N ATOM 834 CA CYS A 57 -6.436 -7.004 9.682 1.00 0.00 C ATOM 835 C CYS A 57 -5.116 -6.466 10.241 1.00 0.00 C ATOM 836 O CYS A 57 -4.626 -5.436 9.827 1.00 0.00 O ATOM 837 CB CYS A 57 -6.544 -6.664 8.195 1.00 0.00 C ATOM 838 SG CYS A 57 -8.080 -7.349 7.527 1.00 0.00 S ATOM 0 H CYS A 57 -7.436 -5.381 10.640 1.00 0.00 H new ATOM 0 HA CYS A 57 -6.470 -8.086 9.809 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -6.525 -5.583 8.056 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -5.688 -7.069 7.656 1.00 0.00 H new ATOM 843 N SER A 58 -4.542 -7.156 11.187 1.00 0.00 N ATOM 844 CA SER A 58 -3.257 -6.691 11.784 1.00 0.00 C ATOM 845 C SER A 58 -2.125 -6.843 10.762 1.00 0.00 C ATOM 846 O SER A 58 -1.196 -6.061 10.728 1.00 0.00 O ATOM 847 CB SER A 58 -2.944 -7.528 13.026 1.00 0.00 C ATOM 848 OG SER A 58 -1.642 -7.202 13.492 1.00 0.00 O ATOM 0 H SER A 58 -4.908 -8.026 11.574 1.00 0.00 H new ATOM 0 HA SER A 58 -3.346 -5.641 12.064 1.00 0.00 H new ATOM 0 HB2 SER A 58 -3.681 -7.334 13.805 1.00 0.00 H new ATOM 0 HB3 SER A 58 -3.003 -8.590 12.788 1.00 0.00 H new ATOM 0 HG SER A 58 -1.437 -7.734 14.289 1.00 0.00 H new ATOM 854 N ALA A 59 -2.191 -7.857 9.945 1.00 0.00 N ATOM 855 CA ALA A 59 -1.119 -8.091 8.932 1.00 0.00 C ATOM 856 C ALA A 59 -0.851 -6.826 8.103 1.00 0.00 C ATOM 857 O ALA A 59 0.212 -6.679 7.533 1.00 0.00 O ATOM 858 CB ALA A 59 -1.550 -9.225 7.998 1.00 0.00 C ATOM 0 H ALA A 59 -2.948 -8.541 9.934 1.00 0.00 H new ATOM 0 HA ALA A 59 -0.201 -8.358 9.456 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.771 -9.401 7.256 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -1.710 -10.134 8.579 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -2.476 -8.949 7.494 1.00 0.00 H new ATOM 864 N ILE A 60 -1.798 -5.916 8.017 1.00 0.00 N ATOM 865 CA ILE A 60 -1.581 -4.666 7.205 1.00 0.00 C ATOM 866 C ILE A 60 -1.380 -3.452 8.117 1.00 0.00 C ATOM 867 O ILE A 60 -1.021 -2.386 7.660 1.00 0.00 O ATOM 868 CB ILE A 60 -2.778 -4.436 6.272 1.00 0.00 C ATOM 869 CG1 ILE A 60 -4.066 -4.278 7.084 1.00 0.00 C ATOM 870 CG2 ILE A 60 -2.923 -5.630 5.328 1.00 0.00 C ATOM 871 CD1 ILE A 60 -5.202 -3.844 6.156 1.00 0.00 C ATOM 0 H ILE A 60 -2.709 -5.983 8.471 1.00 0.00 H new ATOM 0 HA ILE A 60 -0.679 -4.794 6.606 1.00 0.00 H new ATOM 0 HB ILE A 60 -2.606 -3.525 5.699 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -4.319 -5.219 7.571 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -3.923 -3.539 7.873 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -3.773 -5.468 4.665 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -2.015 -5.737 4.735 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -3.085 -6.537 5.911 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -6.120 -3.731 6.733 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -4.947 -2.892 5.689 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -5.349 -4.599 5.384 1.00 0.00 H new ATOM 883 N GLU A 61 -1.592 -3.589 9.399 1.00 0.00 N ATOM 884 CA GLU A 61 -1.383 -2.415 10.293 1.00 0.00 C ATOM 885 C GLU A 61 0.073 -1.971 10.168 1.00 0.00 C ATOM 886 O GLU A 61 0.368 -0.796 10.077 1.00 0.00 O ATOM 887 CB GLU A 61 -1.692 -2.799 11.743 1.00 0.00 C ATOM 888 CG GLU A 61 -3.208 -2.839 11.951 1.00 0.00 C ATOM 889 CD GLU A 61 -3.514 -3.325 13.370 1.00 0.00 C ATOM 890 OE1 GLU A 61 -2.592 -3.767 14.035 1.00 0.00 O ATOM 891 OE2 GLU A 61 -4.666 -3.249 13.766 1.00 0.00 O ATOM 0 H GLU A 61 -1.896 -4.447 9.859 1.00 0.00 H new ATOM 0 HA GLU A 61 -2.048 -1.601 10.004 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -1.257 -3.772 11.973 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -1.240 -2.079 12.425 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -3.634 -1.848 11.794 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -3.669 -3.503 11.220 1.00 0.00 H new ATOM 898 N LYS A 62 0.987 -2.903 10.131 1.00 0.00 N ATOM 899 CA LYS A 62 2.415 -2.522 9.975 1.00 0.00 C ATOM 900 C LYS A 62 2.586 -1.859 8.610 1.00 0.00 C ATOM 901 O LYS A 62 3.300 -0.889 8.459 1.00 0.00 O ATOM 902 CB LYS A 62 3.296 -3.773 10.036 1.00 0.00 C ATOM 903 CG LYS A 62 3.301 -4.332 11.459 1.00 0.00 C ATOM 904 CD LYS A 62 4.294 -5.499 11.550 1.00 0.00 C ATOM 905 CE LYS A 62 3.799 -6.686 10.714 1.00 0.00 C ATOM 906 NZ LYS A 62 4.475 -7.931 11.176 1.00 0.00 N ATOM 0 H LYS A 62 0.806 -3.904 10.202 1.00 0.00 H new ATOM 0 HA LYS A 62 2.707 -1.840 10.774 1.00 0.00 H new ATOM 0 HB2 LYS A 62 2.924 -4.526 9.341 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.313 -3.529 9.727 1.00 0.00 H new ATOM 0 HG2 LYS A 62 3.577 -3.550 12.167 1.00 0.00 H new ATOM 0 HG3 LYS A 62 2.301 -4.670 11.731 1.00 0.00 H new ATOM 0 HD2 LYS A 62 5.274 -5.180 11.196 1.00 0.00 H new ATOM 0 HD3 LYS A 62 4.414 -5.803 12.590 1.00 0.00 H new ATOM 0 HE2 LYS A 62 2.718 -6.788 10.811 1.00 0.00 H new ATOM 0 HE3 LYS A 62 4.009 -6.515 9.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 4.141 -8.738 10.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 5.504 -7.830 11.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 4.253 -8.095 12.179 1.00 0.00 H new ATOM 920 N THR A 63 1.926 -2.387 7.615 1.00 0.00 N ATOM 921 CA THR A 63 2.034 -1.810 6.248 1.00 0.00 C ATOM 922 C THR A 63 1.557 -0.355 6.260 1.00 0.00 C ATOM 923 O THR A 63 2.149 0.505 5.642 1.00 0.00 O ATOM 924 CB THR A 63 1.161 -2.625 5.289 1.00 0.00 C ATOM 925 OG1 THR A 63 1.609 -3.974 5.276 1.00 0.00 O ATOM 926 CG2 THR A 63 1.262 -2.043 3.879 1.00 0.00 C ATOM 0 H THR A 63 1.313 -3.199 7.693 1.00 0.00 H new ATOM 0 HA THR A 63 3.073 -1.843 5.921 1.00 0.00 H new ATOM 0 HB THR A 63 0.124 -2.586 5.622 1.00 0.00 H new ATOM 0 HG1 THR A 63 1.051 -4.498 4.664 1.00 0.00 H new ATOM 0 HG21 THR A 63 0.640 -2.625 3.200 1.00 0.00 H new ATOM 0 HG22 THR A 63 0.920 -1.008 3.887 1.00 0.00 H new ATOM 0 HG23 THR A 63 2.298 -2.080 3.543 1.00 0.00 H new ATOM 934 N GLN A 64 0.488 -0.074 6.952 1.00 0.00 N ATOM 935 CA GLN A 64 -0.027 1.324 6.992 1.00 0.00 C ATOM 936 C GLN A 64 1.034 2.259 7.575 1.00 0.00 C ATOM 937 O GLN A 64 1.250 3.347 7.080 1.00 0.00 O ATOM 938 CB GLN A 64 -1.279 1.381 7.867 1.00 0.00 C ATOM 939 CG GLN A 64 -2.435 0.665 7.165 1.00 0.00 C ATOM 940 CD GLN A 64 -3.674 0.709 8.059 1.00 0.00 C ATOM 941 OE1 GLN A 64 -3.563 0.780 9.267 1.00 0.00 O ATOM 942 NE2 GLN A 64 -4.859 0.671 7.514 1.00 0.00 N ATOM 0 H GLN A 64 -0.051 -0.751 7.491 1.00 0.00 H new ATOM 0 HA GLN A 64 -0.268 1.641 5.977 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -1.081 0.913 8.831 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -1.548 2.418 8.065 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -2.646 1.142 6.208 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -2.162 -0.369 6.953 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -4.952 0.611 6.500 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -5.692 0.701 8.102 1.00 0.00 H new ATOM 951 N ARG A 65 1.692 1.857 8.628 1.00 0.00 N ATOM 952 CA ARG A 65 2.723 2.747 9.231 1.00 0.00 C ATOM 953 C ARG A 65 3.849 2.993 8.228 1.00 0.00 C ATOM 954 O ARG A 65 4.285 4.109 8.034 1.00 0.00 O ATOM 955 CB ARG A 65 3.301 2.094 10.485 1.00 0.00 C ATOM 956 CG ARG A 65 2.245 2.084 11.590 1.00 0.00 C ATOM 957 CD ARG A 65 2.878 1.593 12.893 1.00 0.00 C ATOM 958 NE ARG A 65 1.845 1.573 13.967 1.00 0.00 N ATOM 959 CZ ARG A 65 2.077 0.945 15.087 1.00 0.00 C ATOM 960 NH1 ARG A 65 3.216 0.333 15.267 1.00 0.00 N ATOM 961 NH2 ARG A 65 1.170 0.931 16.026 1.00 0.00 N ATOM 0 H ARG A 65 1.562 0.959 9.093 1.00 0.00 H new ATOM 0 HA ARG A 65 2.258 3.697 9.495 1.00 0.00 H new ATOM 0 HB2 ARG A 65 3.620 1.075 10.263 1.00 0.00 H new ATOM 0 HB3 ARG A 65 4.185 2.639 10.817 1.00 0.00 H new ATOM 0 HG2 ARG A 65 1.836 3.085 11.726 1.00 0.00 H new ATOM 0 HG3 ARG A 65 1.415 1.436 11.309 1.00 0.00 H new ATOM 0 HD2 ARG A 65 3.294 0.595 12.755 1.00 0.00 H new ATOM 0 HD3 ARG A 65 3.703 2.246 13.178 1.00 0.00 H new ATOM 0 HE ARG A 65 0.955 2.051 13.826 1.00 0.00 H new ATOM 0 HH11 ARG A 65 3.924 0.346 14.532 1.00 0.00 H new ATOM 0 HH12 ARG A 65 3.398 -0.158 16.142 1.00 0.00 H new ATOM 0 HH21 ARG A 65 0.281 1.411 15.884 1.00 0.00 H new ATOM 0 HH22 ARG A 65 1.350 0.440 16.902 1.00 0.00 H new ATOM 975 N MET A 66 4.329 1.961 7.591 1.00 0.00 N ATOM 976 CA MET A 66 5.430 2.150 6.609 1.00 0.00 C ATOM 977 C MET A 66 4.955 3.046 5.461 1.00 0.00 C ATOM 978 O MET A 66 5.683 3.897 4.990 1.00 0.00 O ATOM 979 CB MET A 66 5.884 0.788 6.072 1.00 0.00 C ATOM 980 CG MET A 66 6.609 0.026 7.189 1.00 0.00 C ATOM 981 SD MET A 66 7.361 -1.482 6.522 1.00 0.00 S ATOM 982 CE MET A 66 5.840 -2.436 6.297 1.00 0.00 C ATOM 0 H MET A 66 4.008 1.000 7.708 1.00 0.00 H new ATOM 0 HA MET A 66 6.275 2.632 7.101 1.00 0.00 H new ATOM 0 HB2 MET A 66 5.025 0.216 5.723 1.00 0.00 H new ATOM 0 HB3 MET A 66 6.546 0.922 5.217 1.00 0.00 H new ATOM 0 HG2 MET A 66 7.377 0.659 7.634 1.00 0.00 H new ATOM 0 HG3 MET A 66 5.906 -0.228 7.983 1.00 0.00 H new ATOM 0 HE1 MET A 66 6.091 -3.465 6.041 1.00 0.00 H new ATOM 0 HE2 MET A 66 5.262 -2.422 7.221 1.00 0.00 H new ATOM 0 HE3 MET A 66 5.250 -1.996 5.493 1.00 0.00 H new ATOM 992 N LEU A 67 3.741 2.875 5.009 1.00 0.00 N ATOM 993 CA LEU A 67 3.245 3.738 3.899 1.00 0.00 C ATOM 994 C LEU A 67 3.236 5.192 4.372 1.00 0.00 C ATOM 995 O LEU A 67 3.591 6.095 3.643 1.00 0.00 O ATOM 996 CB LEU A 67 1.819 3.328 3.511 1.00 0.00 C ATOM 997 CG LEU A 67 1.817 1.949 2.834 1.00 0.00 C ATOM 998 CD1 LEU A 67 0.371 1.465 2.697 1.00 0.00 C ATOM 999 CD2 LEU A 67 2.453 2.028 1.434 1.00 0.00 C ATOM 0 H LEU A 67 3.078 2.182 5.356 1.00 0.00 H new ATOM 0 HA LEU A 67 3.897 3.625 3.033 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.188 3.304 4.399 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.392 4.071 2.837 1.00 0.00 H new ATOM 0 HG LEU A 67 2.397 1.257 3.444 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.359 0.486 2.217 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.083 1.390 3.685 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.194 2.173 2.091 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.441 1.040 0.973 1.00 0.00 H new ATOM 0 HD22 LEU A 67 1.886 2.724 0.816 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.482 2.375 1.521 1.00 0.00 H new ATOM 1011 N SER A 68 2.840 5.422 5.595 1.00 0.00 N ATOM 1012 CA SER A 68 2.817 6.815 6.120 1.00 0.00 C ATOM 1013 C SER A 68 4.232 7.389 6.066 1.00 0.00 C ATOM 1014 O SER A 68 4.438 8.539 5.733 1.00 0.00 O ATOM 1015 CB SER A 68 2.322 6.810 7.567 1.00 0.00 C ATOM 1016 OG SER A 68 0.940 6.476 7.589 1.00 0.00 O ATOM 0 H SER A 68 2.532 4.705 6.252 1.00 0.00 H new ATOM 0 HA SER A 68 2.147 7.426 5.515 1.00 0.00 H new ATOM 0 HB2 SER A 68 2.891 6.091 8.156 1.00 0.00 H new ATOM 0 HB3 SER A 68 2.479 7.789 8.021 1.00 0.00 H new ATOM 0 HG SER A 68 0.833 5.516 7.426 1.00 0.00 H new ATOM 1022 N GLY A 69 5.210 6.588 6.391 1.00 0.00 N ATOM 1023 CA GLY A 69 6.617 7.075 6.362 1.00 0.00 C ATOM 1024 C GLY A 69 6.892 7.755 5.021 1.00 0.00 C ATOM 1025 O GLY A 69 7.725 8.635 4.921 1.00 0.00 O ATOM 0 H GLY A 69 5.094 5.615 6.676 1.00 0.00 H new ATOM 0 HA2 GLY A 69 6.788 7.776 7.179 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.305 6.242 6.508 1.00 0.00 H new ATOM 1029 N PHE A 70 6.199 7.358 3.984 1.00 0.00 N ATOM 1030 CA PHE A 70 6.423 7.987 2.646 1.00 0.00 C ATOM 1031 C PHE A 70 5.432 9.133 2.441 1.00 0.00 C ATOM 1032 O PHE A 70 5.608 9.964 1.572 1.00 0.00 O ATOM 1033 CB PHE A 70 6.213 6.942 1.545 1.00 0.00 C ATOM 1034 CG PHE A 70 7.403 6.016 1.486 1.00 0.00 C ATOM 1035 CD1 PHE A 70 8.491 6.339 0.669 1.00 0.00 C ATOM 1036 CD2 PHE A 70 7.415 4.837 2.238 1.00 0.00 C ATOM 1037 CE1 PHE A 70 9.595 5.483 0.601 1.00 0.00 C ATOM 1038 CE2 PHE A 70 8.520 3.979 2.173 1.00 0.00 C ATOM 1039 CZ PHE A 70 9.611 4.302 1.354 1.00 0.00 C ATOM 0 H PHE A 70 5.489 6.626 4.005 1.00 0.00 H new ATOM 0 HA PHE A 70 7.442 8.372 2.600 1.00 0.00 H new ATOM 0 HB2 PHE A 70 5.306 6.371 1.741 1.00 0.00 H new ATOM 0 HB3 PHE A 70 6.077 7.436 0.583 1.00 0.00 H new ATOM 0 HD1 PHE A 70 8.479 7.251 0.090 1.00 0.00 H new ATOM 0 HD2 PHE A 70 6.574 4.589 2.868 1.00 0.00 H new ATOM 0 HE1 PHE A 70 10.434 5.732 -0.031 1.00 0.00 H new ATOM 0 HE2 PHE A 70 8.532 3.069 2.754 1.00 0.00 H new ATOM 0 HZ PHE A 70 10.463 3.641 1.304 1.00 0.00 H new ATOM 1049 N CYS A 71 4.391 9.189 3.232 1.00 0.00 N ATOM 1050 CA CYS A 71 3.386 10.286 3.084 1.00 0.00 C ATOM 1051 C CYS A 71 2.916 10.749 4.479 1.00 0.00 C ATOM 1052 O CYS A 71 2.076 10.104 5.071 1.00 0.00 O ATOM 1053 CB CYS A 71 2.169 9.776 2.301 1.00 0.00 C ATOM 1054 SG CYS A 71 1.207 11.206 1.735 1.00 0.00 S ATOM 0 H CYS A 71 4.193 8.520 3.976 1.00 0.00 H new ATOM 0 HA CYS A 71 3.847 11.117 2.550 1.00 0.00 H new ATOM 0 HB2 CYS A 71 2.491 9.175 1.450 1.00 0.00 H new ATOM 0 HB3 CYS A 71 1.556 9.133 2.932 1.00 0.00 H new ATOM 1059 N PRO A 72 3.434 11.850 5.008 1.00 0.00 N ATOM 1060 CA PRO A 72 2.994 12.356 6.352 1.00 0.00 C ATOM 1061 C PRO A 72 1.485 12.641 6.403 1.00 0.00 C ATOM 1062 O PRO A 72 1.051 13.625 6.968 1.00 0.00 O ATOM 1063 CB PRO A 72 3.795 13.664 6.489 1.00 0.00 C ATOM 1064 CG PRO A 72 4.902 13.655 5.426 1.00 0.00 C ATOM 1065 CD PRO A 72 4.491 12.662 4.331 1.00 0.00 C ATOM 0 HA PRO A 72 3.169 11.635 7.150 1.00 0.00 H new ATOM 0 HB2 PRO A 72 3.143 14.527 6.353 1.00 0.00 H new ATOM 0 HB3 PRO A 72 4.226 13.745 7.487 1.00 0.00 H new ATOM 0 HG2 PRO A 72 5.037 14.652 5.007 1.00 0.00 H new ATOM 0 HG3 PRO A 72 5.854 13.363 5.869 1.00 0.00 H new ATOM 0 HD2 PRO A 72 4.107 13.170 3.446 1.00 0.00 H new ATOM 0 HD3 PRO A 72 5.330 12.046 4.007 1.00 0.00 H new ATOM 1073 N HIS A 73 0.693 11.824 5.777 1.00 0.00 N ATOM 1074 CA HIS A 73 -0.771 12.079 5.738 1.00 0.00 C ATOM 1075 C HIS A 73 -1.481 11.421 6.925 1.00 0.00 C ATOM 1076 O HIS A 73 -1.649 10.219 6.973 1.00 0.00 O ATOM 1077 CB HIS A 73 -1.319 11.496 4.413 1.00 0.00 C ATOM 1078 CG HIS A 73 -2.180 12.506 3.714 1.00 0.00 C ATOM 1079 ND1 HIS A 73 -3.557 12.522 3.842 1.00 0.00 N ATOM 1080 CD2 HIS A 73 -1.860 13.549 2.889 1.00 0.00 C ATOM 1081 CE1 HIS A 73 -4.018 13.550 3.111 1.00 0.00 C ATOM 1082 NE2 HIS A 73 -3.024 14.213 2.505 1.00 0.00 N ATOM 0 H HIS A 73 0.998 10.983 5.286 1.00 0.00 H new ATOM 0 HA HIS A 73 -0.954 13.152 5.798 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -0.491 11.205 3.767 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -1.897 10.595 4.616 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -0.860 13.817 2.582 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -5.062 13.810 3.022 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -3.102 15.027 1.895 1.00 0.00 H new ATOM 1090 N LYS A 74 -1.946 12.211 7.853 1.00 0.00 N ATOM 1091 CA LYS A 74 -2.700 11.638 8.996 1.00 0.00 C ATOM 1092 C LYS A 74 -4.119 11.389 8.489 1.00 0.00 C ATOM 1093 O LYS A 74 -4.947 12.278 8.479 1.00 0.00 O ATOM 1094 CB LYS A 74 -2.731 12.642 10.152 1.00 0.00 C ATOM 1095 CG LYS A 74 -1.330 12.791 10.746 1.00 0.00 C ATOM 1096 CD LYS A 74 -1.377 13.797 11.900 1.00 0.00 C ATOM 1097 CE LYS A 74 0.018 13.959 12.507 1.00 0.00 C ATOM 1098 NZ LYS A 74 0.069 15.225 13.293 1.00 0.00 N ATOM 0 H LYS A 74 -1.836 13.225 7.867 1.00 0.00 H new ATOM 0 HA LYS A 74 -2.239 10.720 9.359 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -3.090 13.608 9.797 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -3.428 12.305 10.920 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -0.969 11.827 11.103 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -0.632 13.130 9.981 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -1.741 14.760 11.540 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -2.078 13.456 12.662 1.00 0.00 H new ATOM 0 HE2 LYS A 74 0.249 13.109 13.149 1.00 0.00 H new ATOM 0 HE3 LYS A 74 0.771 13.976 11.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 1.016 15.339 13.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -0.134 16.031 12.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -0.640 15.190 14.054 1.00 0.00 H new ATOM 1112 N VAL A 75 -4.397 10.202 8.026 1.00 0.00 N ATOM 1113 CA VAL A 75 -5.755 9.917 7.472 1.00 0.00 C ATOM 1114 C VAL A 75 -6.658 9.314 8.545 1.00 0.00 C ATOM 1115 O VAL A 75 -6.310 8.352 9.202 1.00 0.00 O ATOM 1116 CB VAL A 75 -5.630 8.922 6.320 1.00 0.00 C ATOM 1117 CG1 VAL A 75 -7.003 8.717 5.680 1.00 0.00 C ATOM 1118 CG2 VAL A 75 -4.653 9.463 5.274 1.00 0.00 C ATOM 0 H VAL A 75 -3.746 9.417 8.006 1.00 0.00 H new ATOM 0 HA VAL A 75 -6.192 10.853 7.123 1.00 0.00 H new ATOM 0 HB VAL A 75 -5.257 7.971 6.700 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -6.918 8.007 4.857 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -7.697 8.328 6.425 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -7.374 9.669 5.301 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -4.567 8.750 4.454 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -5.021 10.415 4.890 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -3.675 9.610 5.732 1.00 0.00 H new ATOM 1128 N SER A 76 -7.831 9.870 8.708 1.00 0.00 N ATOM 1129 CA SER A 76 -8.800 9.343 9.714 1.00 0.00 C ATOM 1130 C SER A 76 -9.890 8.567 8.972 1.00 0.00 C ATOM 1131 O SER A 76 -10.214 8.870 7.841 1.00 0.00 O ATOM 1132 CB SER A 76 -9.433 10.511 10.473 1.00 0.00 C ATOM 1133 OG SER A 76 -10.604 10.058 11.141 1.00 0.00 O ATOM 0 H SER A 76 -8.162 10.677 8.180 1.00 0.00 H new ATOM 0 HA SER A 76 -8.290 8.691 10.423 1.00 0.00 H new ATOM 0 HB2 SER A 76 -8.724 10.918 11.194 1.00 0.00 H new ATOM 0 HB3 SER A 76 -9.683 11.316 9.782 1.00 0.00 H new ATOM 0 HG SER A 76 -11.011 10.804 11.630 1.00 0.00 H new ATOM 1139 N ALA A 77 -10.454 7.567 9.586 1.00 0.00 N ATOM 1140 CA ALA A 77 -11.514 6.782 8.897 1.00 0.00 C ATOM 1141 C ALA A 77 -12.642 7.716 8.462 1.00 0.00 C ATOM 1142 O ALA A 77 -13.547 7.321 7.754 1.00 0.00 O ATOM 1143 CB ALA A 77 -12.067 5.725 9.854 1.00 0.00 C ATOM 0 H ALA A 77 -10.228 7.260 10.532 1.00 0.00 H new ATOM 0 HA ALA A 77 -11.091 6.293 8.019 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -12.844 5.149 9.351 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -11.263 5.057 10.163 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -12.489 6.214 10.732 1.00 0.00 H new ATOM 1149 N GLY A 78 -12.591 8.958 8.875 1.00 0.00 N ATOM 1150 CA GLY A 78 -13.657 9.933 8.484 1.00 0.00 C ATOM 1151 C GLY A 78 -13.133 10.856 7.382 1.00 0.00 C ATOM 1152 O GLY A 78 -13.891 11.408 6.611 1.00 0.00 O ATOM 0 H GLY A 78 -11.855 9.340 9.468 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -14.541 9.399 8.135 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -13.961 10.521 9.350 1.00 0.00 H new ATOM 1156 N GLN A 79 -11.840 11.035 7.303 1.00 0.00 N ATOM 1157 CA GLN A 79 -11.266 11.932 6.253 1.00 0.00 C ATOM 1158 C GLN A 79 -10.864 11.111 5.021 1.00 0.00 C ATOM 1159 O GLN A 79 -10.090 10.179 5.112 1.00 0.00 O ATOM 1160 CB GLN A 79 -10.032 12.638 6.818 1.00 0.00 C ATOM 1161 CG GLN A 79 -10.454 13.568 7.960 1.00 0.00 C ATOM 1162 CD GLN A 79 -11.272 14.734 7.401 1.00 0.00 C ATOM 1163 OE1 GLN A 79 -10.756 15.560 6.674 1.00 0.00 O ATOM 1164 NE2 GLN A 79 -12.536 14.839 7.712 1.00 0.00 N ATOM 0 H GLN A 79 -11.155 10.599 7.920 1.00 0.00 H new ATOM 0 HA GLN A 79 -12.015 12.668 5.960 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -9.313 11.903 7.180 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -9.536 13.210 6.034 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -11.043 13.016 8.692 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -9.573 13.945 8.479 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -12.970 14.146 8.322 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -13.089 15.614 7.345 1.00 0.00 H new ATOM 1173 N PHE A 80 -11.379 11.463 3.865 1.00 0.00 N ATOM 1174 CA PHE A 80 -11.030 10.728 2.604 1.00 0.00 C ATOM 1175 C PHE A 80 -10.615 11.745 1.541 1.00 0.00 C ATOM 1176 O PHE A 80 -11.096 12.860 1.530 1.00 0.00 O ATOM 1177 CB PHE A 80 -12.245 9.944 2.112 1.00 0.00 C ATOM 1178 CG PHE A 80 -12.544 8.827 3.080 1.00 0.00 C ATOM 1179 CD1 PHE A 80 -11.848 7.615 2.986 1.00 0.00 C ATOM 1180 CD2 PHE A 80 -13.509 9.005 4.077 1.00 0.00 C ATOM 1181 CE1 PHE A 80 -12.119 6.581 3.889 1.00 0.00 C ATOM 1182 CE2 PHE A 80 -13.781 7.971 4.981 1.00 0.00 C ATOM 1183 CZ PHE A 80 -13.085 6.758 4.886 1.00 0.00 C ATOM 0 H PHE A 80 -12.033 12.236 3.740 1.00 0.00 H new ATOM 0 HA PHE A 80 -10.212 10.034 2.796 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -13.107 10.605 2.024 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -12.052 9.538 1.119 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -11.102 7.479 2.217 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -14.044 9.940 4.149 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -11.583 5.646 3.817 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -14.526 8.108 5.751 1.00 0.00 H new ATOM 0 HZ PHE A 80 -13.294 5.960 5.583 1.00 0.00 H new ATOM 1193 N SER A 81 -9.705 11.383 0.660 1.00 0.00 N ATOM 1194 CA SER A 81 -9.238 12.347 -0.393 1.00 0.00 C ATOM 1195 C SER A 81 -9.454 11.794 -1.812 1.00 0.00 C ATOM 1196 O SER A 81 -9.947 12.485 -2.681 1.00 0.00 O ATOM 1197 CB SER A 81 -7.745 12.609 -0.189 1.00 0.00 C ATOM 1198 OG SER A 81 -7.567 13.437 0.953 1.00 0.00 O ATOM 0 H SER A 81 -9.267 10.463 0.626 1.00 0.00 H new ATOM 0 HA SER A 81 -9.818 13.265 -0.296 1.00 0.00 H new ATOM 0 HB2 SER A 81 -7.213 11.667 -0.056 1.00 0.00 H new ATOM 0 HB3 SER A 81 -7.324 13.091 -1.072 1.00 0.00 H new ATOM 0 HG SER A 81 -6.611 13.606 1.089 1.00 0.00 H new ATOM 1204 N SER A 82 -9.041 10.580 -2.075 1.00 0.00 N ATOM 1205 CA SER A 82 -9.175 10.023 -3.463 1.00 0.00 C ATOM 1206 C SER A 82 -10.469 9.221 -3.652 1.00 0.00 C ATOM 1207 O SER A 82 -10.717 8.698 -4.720 1.00 0.00 O ATOM 1208 CB SER A 82 -7.977 9.119 -3.754 1.00 0.00 C ATOM 1209 OG SER A 82 -8.000 8.738 -5.123 1.00 0.00 O ATOM 0 H SER A 82 -8.618 9.950 -1.394 1.00 0.00 H new ATOM 0 HA SER A 82 -9.208 10.865 -4.155 1.00 0.00 H new ATOM 0 HB2 SER A 82 -7.048 9.641 -3.525 1.00 0.00 H new ATOM 0 HB3 SER A 82 -8.010 8.235 -3.118 1.00 0.00 H new ATOM 0 HG SER A 82 -8.929 8.636 -5.419 1.00 0.00 H new ATOM 1215 N LEU A 83 -11.295 9.102 -2.649 1.00 0.00 N ATOM 1216 CA LEU A 83 -12.556 8.314 -2.827 1.00 0.00 C ATOM 1217 C LEU A 83 -13.657 9.213 -3.411 1.00 0.00 C ATOM 1218 O LEU A 83 -14.828 8.897 -3.341 1.00 0.00 O ATOM 1219 CB LEU A 83 -13.016 7.756 -1.473 1.00 0.00 C ATOM 1220 CG LEU A 83 -12.182 6.527 -1.093 1.00 0.00 C ATOM 1221 CD1 LEU A 83 -10.752 6.951 -0.735 1.00 0.00 C ATOM 1222 CD2 LEU A 83 -12.832 5.832 0.108 1.00 0.00 C ATOM 0 H LEU A 83 -11.158 9.509 -1.724 1.00 0.00 H new ATOM 0 HA LEU A 83 -12.364 7.489 -3.512 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -12.918 8.522 -0.704 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -14.071 7.487 -1.522 1.00 0.00 H new ATOM 0 HG LEU A 83 -12.143 5.840 -1.939 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -10.168 6.071 -0.467 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -10.293 7.443 -1.592 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -10.777 7.641 0.109 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -12.244 4.957 0.384 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -12.872 6.523 0.950 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -13.843 5.522 -0.155 1.00 0.00 H new ATOM 1234 N HIS A 84 -13.295 10.328 -3.986 1.00 0.00 N ATOM 1235 CA HIS A 84 -14.330 11.235 -4.571 1.00 0.00 C ATOM 1236 C HIS A 84 -14.852 10.640 -5.880 1.00 0.00 C ATOM 1237 O HIS A 84 -16.023 10.722 -6.192 1.00 0.00 O ATOM 1238 CB HIS A 84 -13.712 12.599 -4.878 1.00 0.00 C ATOM 1239 CG HIS A 84 -12.952 13.095 -3.684 1.00 0.00 C ATOM 1240 ND1 HIS A 84 -13.045 12.490 -2.443 1.00 0.00 N ATOM 1241 CD2 HIS A 84 -12.071 14.135 -3.532 1.00 0.00 C ATOM 1242 CE1 HIS A 84 -12.237 13.163 -1.606 1.00 0.00 C ATOM 1243 NE2 HIS A 84 -11.619 14.177 -2.218 1.00 0.00 N ATOM 0 H HIS A 84 -12.332 10.651 -4.077 1.00 0.00 H new ATOM 0 HA HIS A 84 -15.144 11.346 -3.854 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -13.046 12.521 -5.737 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -14.494 13.311 -5.144 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -11.774 14.818 -4.314 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -12.103 12.914 -0.564 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -10.959 14.839 -1.810 1.00 0.00 H new ATOM 1251 N VAL A 85 -13.981 10.058 -6.653 1.00 0.00 N ATOM 1252 CA VAL A 85 -14.402 9.469 -7.956 1.00 0.00 C ATOM 1253 C VAL A 85 -15.154 8.158 -7.707 1.00 0.00 C ATOM 1254 O VAL A 85 -14.943 7.490 -6.714 1.00 0.00 O ATOM 1255 CB VAL A 85 -13.159 9.206 -8.809 1.00 0.00 C ATOM 1256 CG1 VAL A 85 -13.572 8.945 -10.260 1.00 0.00 C ATOM 1257 CG2 VAL A 85 -12.241 10.433 -8.759 1.00 0.00 C ATOM 0 H VAL A 85 -12.988 9.964 -6.438 1.00 0.00 H new ATOM 0 HA VAL A 85 -15.062 10.160 -8.480 1.00 0.00 H new ATOM 0 HB VAL A 85 -12.633 8.334 -8.420 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -12.684 8.758 -10.863 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -14.228 8.075 -10.301 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -14.099 9.815 -10.650 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -11.354 10.249 -9.366 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -12.773 11.301 -9.148 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -11.942 10.622 -7.728 1.00 0.00 H new ATOM 1267 N ARG A 86 -16.041 7.791 -8.596 1.00 0.00 N ATOM 1268 CA ARG A 86 -16.819 6.530 -8.404 1.00 0.00 C ATOM 1269 C ARG A 86 -16.053 5.358 -9.016 1.00 0.00 C ATOM 1270 O ARG A 86 -16.451 4.793 -10.015 1.00 0.00 O ATOM 1271 CB ARG A 86 -18.176 6.657 -9.103 1.00 0.00 C ATOM 1272 CG ARG A 86 -19.058 7.659 -8.354 1.00 0.00 C ATOM 1273 CD ARG A 86 -20.338 7.912 -9.158 1.00 0.00 C ATOM 1274 NE ARG A 86 -21.051 6.621 -9.377 1.00 0.00 N ATOM 1275 CZ ARG A 86 -22.288 6.617 -9.796 1.00 0.00 C ATOM 1276 NH1 ARG A 86 -22.906 7.745 -10.021 1.00 0.00 N ATOM 1277 NH2 ARG A 86 -22.906 5.484 -9.993 1.00 0.00 N ATOM 0 H ARG A 86 -16.260 8.310 -9.446 1.00 0.00 H new ATOM 0 HA ARG A 86 -16.966 6.357 -7.338 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -18.035 6.983 -10.133 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -18.667 5.685 -9.141 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -19.307 7.273 -7.365 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -18.519 8.594 -8.205 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -20.983 8.610 -8.625 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -20.094 8.372 -10.116 1.00 0.00 H new ATOM 0 HE ARG A 86 -20.571 5.739 -9.199 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -22.423 8.630 -9.870 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -23.872 7.741 -10.348 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -22.423 4.603 -9.820 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -23.872 5.480 -10.320 1.00 0.00 H new ATOM 1291 N ASP A 87 -14.960 4.984 -8.412 1.00 0.00 N ATOM 1292 CA ASP A 87 -14.162 3.843 -8.939 1.00 0.00 C ATOM 1293 C ASP A 87 -14.769 2.534 -8.429 1.00 0.00 C ATOM 1294 O ASP A 87 -15.615 2.534 -7.560 1.00 0.00 O ATOM 1295 CB ASP A 87 -12.720 3.966 -8.442 1.00 0.00 C ATOM 1296 CG ASP A 87 -12.043 5.150 -9.134 1.00 0.00 C ATOM 1297 OD1 ASP A 87 -12.515 5.543 -10.188 1.00 0.00 O ATOM 1298 OD2 ASP A 87 -11.067 5.647 -8.595 1.00 0.00 O ATOM 0 H ASP A 87 -14.583 5.422 -7.571 1.00 0.00 H new ATOM 0 HA ASP A 87 -14.172 3.852 -10.029 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -12.707 4.106 -7.361 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -12.172 3.047 -8.651 1.00 0.00 H new ATOM 1303 N THR A 88 -14.345 1.416 -8.955 1.00 0.00 N ATOM 1304 CA THR A 88 -14.901 0.109 -8.486 1.00 0.00 C ATOM 1305 C THR A 88 -13.987 -0.459 -7.397 1.00 0.00 C ATOM 1306 O THR A 88 -12.819 -0.131 -7.324 1.00 0.00 O ATOM 1307 CB THR A 88 -14.964 -0.871 -9.660 1.00 0.00 C ATOM 1308 OG1 THR A 88 -13.645 -1.186 -10.084 1.00 0.00 O ATOM 1309 CG2 THR A 88 -15.735 -0.235 -10.817 1.00 0.00 C ATOM 0 H THR A 88 -13.639 1.349 -9.688 1.00 0.00 H new ATOM 0 HA THR A 88 -15.904 0.258 -8.087 1.00 0.00 H new ATOM 0 HB THR A 88 -15.472 -1.783 -9.345 1.00 0.00 H new ATOM 0 HG1 THR A 88 -13.684 -1.815 -10.835 1.00 0.00 H new ATOM 0 HG21 THR A 88 -15.779 -0.934 -11.652 1.00 0.00 H new ATOM 0 HG22 THR A 88 -16.747 0.006 -10.491 1.00 0.00 H new ATOM 0 HG23 THR A 88 -15.229 0.677 -11.133 1.00 0.00 H new ATOM 1317 N LYS A 89 -14.508 -1.302 -6.543 1.00 0.00 N ATOM 1318 CA LYS A 89 -13.666 -1.881 -5.451 1.00 0.00 C ATOM 1319 C LYS A 89 -12.979 -3.162 -5.937 1.00 0.00 C ATOM 1320 O LYS A 89 -13.482 -3.862 -6.794 1.00 0.00 O ATOM 1321 CB LYS A 89 -14.545 -2.235 -4.251 1.00 0.00 C ATOM 1322 CG LYS A 89 -15.204 -0.981 -3.679 1.00 0.00 C ATOM 1323 CD LYS A 89 -16.070 -1.385 -2.484 1.00 0.00 C ATOM 1324 CE LYS A 89 -16.745 -0.152 -1.887 1.00 0.00 C ATOM 1325 NZ LYS A 89 -17.882 -0.583 -1.020 1.00 0.00 N ATOM 0 H LYS A 89 -15.479 -1.615 -6.554 1.00 0.00 H new ATOM 0 HA LYS A 89 -12.917 -1.142 -5.166 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -15.311 -2.950 -4.553 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -13.943 -2.719 -3.482 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -14.445 -0.262 -3.370 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -15.813 -0.494 -4.440 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -16.824 -2.106 -2.798 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -15.456 -1.875 -1.729 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -16.026 0.424 -1.304 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -17.106 0.500 -2.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -18.344 0.254 -0.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -18.571 -1.115 -1.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -17.524 -1.189 -0.254 1.00 0.00 H new ATOM 1339 N ILE A 90 -11.832 -3.474 -5.379 1.00 0.00 N ATOM 1340 CA ILE A 90 -11.089 -4.714 -5.779 1.00 0.00 C ATOM 1341 C ILE A 90 -10.675 -5.485 -4.520 1.00 0.00 C ATOM 1342 O ILE A 90 -10.627 -4.941 -3.435 1.00 0.00 O ATOM 1343 CB ILE A 90 -9.845 -4.326 -6.581 1.00 0.00 C ATOM 1344 CG1 ILE A 90 -9.014 -3.323 -5.776 1.00 0.00 C ATOM 1345 CG2 ILE A 90 -10.271 -3.692 -7.907 1.00 0.00 C ATOM 1346 CD1 ILE A 90 -7.770 -2.929 -6.574 1.00 0.00 C ATOM 0 H ILE A 90 -11.375 -2.917 -4.657 1.00 0.00 H new ATOM 0 HA ILE A 90 -11.731 -5.345 -6.394 1.00 0.00 H new ATOM 0 HB ILE A 90 -9.247 -5.215 -6.781 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -9.610 -2.438 -5.552 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -8.722 -3.761 -4.821 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -9.385 -3.415 -8.479 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -10.863 -4.407 -8.478 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -10.868 -2.802 -7.709 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -7.180 -2.215 -5.999 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -7.170 -3.817 -6.775 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -8.072 -2.474 -7.517 1.00 0.00 H new ATOM 1358 N GLU A 91 -10.385 -6.750 -4.656 1.00 0.00 N ATOM 1359 CA GLU A 91 -9.984 -7.561 -3.468 1.00 0.00 C ATOM 1360 C GLU A 91 -8.641 -7.063 -2.929 1.00 0.00 C ATOM 1361 O GLU A 91 -7.772 -6.659 -3.678 1.00 0.00 O ATOM 1362 CB GLU A 91 -9.852 -9.029 -3.880 1.00 0.00 C ATOM 1363 CG GLU A 91 -11.239 -9.601 -4.176 1.00 0.00 C ATOM 1364 CD GLU A 91 -11.112 -11.067 -4.595 1.00 0.00 C ATOM 1365 OE1 GLU A 91 -10.979 -11.904 -3.718 1.00 0.00 O ATOM 1366 OE2 GLU A 91 -11.150 -11.329 -5.787 1.00 0.00 O ATOM 0 H GLU A 91 -10.408 -7.259 -5.540 1.00 0.00 H new ATOM 0 HA GLU A 91 -10.742 -7.462 -2.691 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -9.216 -9.115 -4.761 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -9.374 -9.600 -3.084 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -11.873 -9.518 -3.293 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -11.719 -9.026 -4.968 1.00 0.00 H new ATOM 1373 N VAL A 92 -8.459 -7.091 -1.634 1.00 0.00 N ATOM 1374 CA VAL A 92 -7.166 -6.621 -1.061 1.00 0.00 C ATOM 1375 C VAL A 92 -6.020 -7.404 -1.710 1.00 0.00 C ATOM 1376 O VAL A 92 -4.980 -6.859 -2.020 1.00 0.00 O ATOM 1377 CB VAL A 92 -7.160 -6.860 0.456 1.00 0.00 C ATOM 1378 CG1 VAL A 92 -5.754 -6.615 1.018 1.00 0.00 C ATOM 1379 CG2 VAL A 92 -8.153 -5.905 1.128 1.00 0.00 C ATOM 0 H VAL A 92 -9.146 -7.417 -0.954 1.00 0.00 H new ATOM 0 HA VAL A 92 -7.040 -5.556 -1.256 1.00 0.00 H new ATOM 0 HB VAL A 92 -7.451 -7.891 0.657 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -5.757 -6.786 2.094 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -5.049 -7.298 0.544 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -5.455 -5.586 0.815 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -8.149 -6.074 2.205 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -7.863 -4.875 0.922 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -9.154 -6.086 0.736 1.00 0.00 H new ATOM 1389 N ALA A 93 -6.206 -8.678 -1.920 1.00 0.00 N ATOM 1390 CA ALA A 93 -5.131 -9.499 -2.550 1.00 0.00 C ATOM 1391 C ALA A 93 -4.679 -8.848 -3.863 1.00 0.00 C ATOM 1392 O ALA A 93 -3.504 -8.801 -4.173 1.00 0.00 O ATOM 1393 CB ALA A 93 -5.671 -10.900 -2.839 1.00 0.00 C ATOM 0 H ALA A 93 -7.057 -9.188 -1.683 1.00 0.00 H new ATOM 0 HA ALA A 93 -4.281 -9.563 -1.870 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -4.889 -11.504 -3.299 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -5.988 -11.367 -1.907 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -6.521 -10.829 -3.517 1.00 0.00 H new ATOM 1399 N GLN A 94 -5.602 -8.346 -4.636 1.00 0.00 N ATOM 1400 CA GLN A 94 -5.227 -7.700 -5.927 1.00 0.00 C ATOM 1401 C GLN A 94 -4.607 -6.333 -5.646 1.00 0.00 C ATOM 1402 O GLN A 94 -3.667 -5.915 -6.292 1.00 0.00 O ATOM 1403 CB GLN A 94 -6.481 -7.515 -6.782 1.00 0.00 C ATOM 1404 CG GLN A 94 -6.977 -8.878 -7.267 1.00 0.00 C ATOM 1405 CD GLN A 94 -8.230 -8.689 -8.122 1.00 0.00 C ATOM 1406 OE1 GLN A 94 -8.629 -9.581 -8.844 1.00 0.00 O ATOM 1407 NE2 GLN A 94 -8.873 -7.554 -8.072 1.00 0.00 N ATOM 0 H GLN A 94 -6.601 -8.355 -4.430 1.00 0.00 H new ATOM 0 HA GLN A 94 -4.510 -8.328 -6.455 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -7.259 -7.019 -6.202 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -6.261 -6.873 -7.634 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -6.199 -9.375 -7.847 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -7.199 -9.521 -6.415 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -8.539 -6.805 -7.466 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -9.710 -7.417 -8.639 1.00 0.00 H new ATOM 1416 N PHE A 95 -5.136 -5.637 -4.683 1.00 0.00 N ATOM 1417 CA PHE A 95 -4.601 -4.293 -4.339 1.00 0.00 C ATOM 1418 C PHE A 95 -3.133 -4.408 -3.930 1.00 0.00 C ATOM 1419 O PHE A 95 -2.291 -3.664 -4.391 1.00 0.00 O ATOM 1420 CB PHE A 95 -5.410 -3.735 -3.170 1.00 0.00 C ATOM 1421 CG PHE A 95 -4.880 -2.382 -2.774 1.00 0.00 C ATOM 1422 CD1 PHE A 95 -3.816 -2.292 -1.869 1.00 0.00 C ATOM 1423 CD2 PHE A 95 -5.452 -1.220 -3.303 1.00 0.00 C ATOM 1424 CE1 PHE A 95 -3.324 -1.042 -1.492 1.00 0.00 C ATOM 1425 CE2 PHE A 95 -4.961 0.032 -2.923 1.00 0.00 C ATOM 1426 CZ PHE A 95 -3.897 0.121 -2.018 1.00 0.00 C ATOM 0 H PHE A 95 -5.924 -5.945 -4.113 1.00 0.00 H new ATOM 0 HA PHE A 95 -4.678 -3.632 -5.202 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -6.460 -3.655 -3.450 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -5.357 -4.418 -2.322 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -3.376 -3.190 -1.462 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -6.271 -1.290 -4.003 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -2.502 -0.972 -0.795 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -5.402 0.931 -3.328 1.00 0.00 H new ATOM 0 HZ PHE A 95 -3.518 1.089 -1.725 1.00 0.00 H new ATOM 1436 N VAL A 96 -2.818 -5.326 -3.061 1.00 0.00 N ATOM 1437 CA VAL A 96 -1.404 -5.470 -2.620 1.00 0.00 C ATOM 1438 C VAL A 96 -0.518 -5.827 -3.815 1.00 0.00 C ATOM 1439 O VAL A 96 0.524 -5.238 -4.022 1.00 0.00 O ATOM 1440 CB VAL A 96 -1.294 -6.580 -1.574 1.00 0.00 C ATOM 1441 CG1 VAL A 96 0.177 -6.767 -1.185 1.00 0.00 C ATOM 1442 CG2 VAL A 96 -2.105 -6.203 -0.336 1.00 0.00 C ATOM 0 H VAL A 96 -3.476 -5.981 -2.638 1.00 0.00 H new ATOM 0 HA VAL A 96 -1.076 -4.524 -2.189 1.00 0.00 H new ATOM 0 HB VAL A 96 -1.684 -7.509 -1.989 1.00 0.00 H new ATOM 0 HG11 VAL A 96 0.258 -7.558 -0.439 1.00 0.00 H new ATOM 0 HG12 VAL A 96 0.755 -7.040 -2.068 1.00 0.00 H new ATOM 0 HG13 VAL A 96 0.565 -5.836 -0.771 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -2.024 -6.996 0.407 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.719 -5.273 0.082 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -3.151 -6.070 -0.613 1.00 0.00 H new ATOM 1452 N LYS A 97 -0.914 -6.799 -4.594 1.00 0.00 N ATOM 1453 CA LYS A 97 -0.077 -7.200 -5.762 1.00 0.00 C ATOM 1454 C LYS A 97 0.064 -6.026 -6.734 1.00 0.00 C ATOM 1455 O LYS A 97 1.129 -5.767 -7.249 1.00 0.00 O ATOM 1456 CB LYS A 97 -0.735 -8.378 -6.483 1.00 0.00 C ATOM 1457 CG LYS A 97 -0.668 -9.626 -5.597 1.00 0.00 C ATOM 1458 CD LYS A 97 -1.327 -10.800 -6.325 1.00 0.00 C ATOM 1459 CE LYS A 97 -1.340 -12.034 -5.418 1.00 0.00 C ATOM 1460 NZ LYS A 97 0.043 -12.567 -5.267 1.00 0.00 N ATOM 0 H LYS A 97 -1.776 -7.330 -4.473 1.00 0.00 H new ATOM 0 HA LYS A 97 0.911 -7.492 -5.407 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -1.773 -8.141 -6.716 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -0.230 -8.565 -7.431 1.00 0.00 H new ATOM 0 HG2 LYS A 97 0.370 -9.865 -5.363 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -1.174 -9.441 -4.649 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -2.346 -10.537 -6.610 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -0.785 -11.020 -7.245 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -1.747 -11.774 -4.441 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -1.990 -12.800 -5.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 0.010 -13.485 -4.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 0.473 -12.688 -6.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 0.613 -11.900 -4.709 1.00 0.00 H new ATOM 1474 N ASP A 98 -0.991 -5.303 -6.988 1.00 0.00 N ATOM 1475 CA ASP A 98 -0.876 -4.152 -7.930 1.00 0.00 C ATOM 1476 C ASP A 98 0.148 -3.163 -7.377 1.00 0.00 C ATOM 1477 O ASP A 98 0.964 -2.622 -8.097 1.00 0.00 O ATOM 1478 CB ASP A 98 -2.235 -3.461 -8.060 1.00 0.00 C ATOM 1479 CG ASP A 98 -3.200 -4.371 -8.823 1.00 0.00 C ATOM 1480 OD1 ASP A 98 -2.732 -5.135 -9.652 1.00 0.00 O ATOM 1481 OD2 ASP A 98 -4.390 -4.287 -8.568 1.00 0.00 O ATOM 0 H ASP A 98 -1.918 -5.455 -6.590 1.00 0.00 H new ATOM 0 HA ASP A 98 -0.558 -4.506 -8.911 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -2.636 -3.235 -7.072 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -2.123 -2.511 -8.583 1.00 0.00 H new ATOM 1486 N LEU A 99 0.113 -2.939 -6.097 1.00 0.00 N ATOM 1487 CA LEU A 99 1.080 -2.004 -5.463 1.00 0.00 C ATOM 1488 C LEU A 99 2.505 -2.557 -5.620 1.00 0.00 C ATOM 1489 O LEU A 99 3.446 -1.825 -5.857 1.00 0.00 O ATOM 1490 CB LEU A 99 0.721 -1.859 -3.978 1.00 0.00 C ATOM 1491 CG LEU A 99 1.690 -0.902 -3.273 1.00 0.00 C ATOM 1492 CD1 LEU A 99 1.566 0.513 -3.863 1.00 0.00 C ATOM 1493 CD2 LEU A 99 1.352 -0.871 -1.778 1.00 0.00 C ATOM 0 H LEU A 99 -0.552 -3.369 -5.454 1.00 0.00 H new ATOM 0 HA LEU A 99 1.033 -1.027 -5.943 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -0.299 -1.487 -3.881 1.00 0.00 H new ATOM 0 HB3 LEU A 99 0.752 -2.836 -3.495 1.00 0.00 H new ATOM 0 HG LEU A 99 2.713 -1.249 -3.418 1.00 0.00 H new ATOM 0 HD11 LEU A 99 2.259 1.182 -3.353 1.00 0.00 H new ATOM 0 HD12 LEU A 99 1.804 0.486 -4.926 1.00 0.00 H new ATOM 0 HD13 LEU A 99 0.547 0.875 -3.728 1.00 0.00 H new ATOM 0 HD21 LEU A 99 2.034 -0.194 -1.265 1.00 0.00 H new ATOM 0 HD22 LEU A 99 0.327 -0.524 -1.644 1.00 0.00 H new ATOM 0 HD23 LEU A 99 1.454 -1.873 -1.361 1.00 0.00 H new ATOM 1505 N LEU A 100 2.666 -3.846 -5.469 1.00 0.00 N ATOM 1506 CA LEU A 100 4.021 -4.469 -5.583 1.00 0.00 C ATOM 1507 C LEU A 100 4.678 -4.106 -6.921 1.00 0.00 C ATOM 1508 O LEU A 100 5.847 -3.770 -6.972 1.00 0.00 O ATOM 1509 CB LEU A 100 3.864 -5.993 -5.472 1.00 0.00 C ATOM 1510 CG LEU A 100 5.189 -6.707 -5.765 1.00 0.00 C ATOM 1511 CD1 LEU A 100 6.291 -6.176 -4.841 1.00 0.00 C ATOM 1512 CD2 LEU A 100 4.999 -8.208 -5.527 1.00 0.00 C ATOM 0 H LEU A 100 1.910 -4.501 -5.270 1.00 0.00 H new ATOM 0 HA LEU A 100 4.661 -4.095 -4.784 1.00 0.00 H new ATOM 0 HB2 LEU A 100 3.520 -6.254 -4.471 1.00 0.00 H new ATOM 0 HB3 LEU A 100 3.101 -6.335 -6.171 1.00 0.00 H new ATOM 0 HG LEU A 100 5.482 -6.524 -6.799 1.00 0.00 H new ATOM 0 HD11 LEU A 100 7.227 -6.690 -5.058 1.00 0.00 H new ATOM 0 HD12 LEU A 100 6.419 -5.106 -5.004 1.00 0.00 H new ATOM 0 HD13 LEU A 100 6.012 -6.354 -3.802 1.00 0.00 H new ATOM 0 HD21 LEU A 100 5.934 -8.730 -5.731 1.00 0.00 H new ATOM 0 HD22 LEU A 100 4.708 -8.378 -4.491 1.00 0.00 H new ATOM 0 HD23 LEU A 100 4.220 -8.586 -6.189 1.00 0.00 H new ATOM 1524 N LEU A 101 3.955 -4.175 -8.005 1.00 0.00 N ATOM 1525 CA LEU A 101 4.573 -3.839 -9.324 1.00 0.00 C ATOM 1526 C LEU A 101 5.072 -2.386 -9.311 1.00 0.00 C ATOM 1527 O LEU A 101 6.165 -2.097 -9.756 1.00 0.00 O ATOM 1528 CB LEU A 101 3.534 -4.020 -10.447 1.00 0.00 C ATOM 1529 CG LEU A 101 3.400 -5.505 -10.859 1.00 0.00 C ATOM 1530 CD1 LEU A 101 4.586 -5.940 -11.733 1.00 0.00 C ATOM 1531 CD2 LEU A 101 3.334 -6.403 -9.619 1.00 0.00 C ATOM 0 H LEU A 101 2.972 -4.446 -8.038 1.00 0.00 H new ATOM 0 HA LEU A 101 5.416 -4.506 -9.503 1.00 0.00 H new ATOM 0 HB2 LEU A 101 2.567 -3.645 -10.113 1.00 0.00 H new ATOM 0 HB3 LEU A 101 3.825 -3.426 -11.313 1.00 0.00 H new ATOM 0 HG LEU A 101 2.478 -5.608 -11.432 1.00 0.00 H new ATOM 0 HD11 LEU A 101 4.469 -6.988 -12.010 1.00 0.00 H new ATOM 0 HD12 LEU A 101 4.618 -5.328 -12.634 1.00 0.00 H new ATOM 0 HD13 LEU A 101 5.514 -5.813 -11.176 1.00 0.00 H new ATOM 0 HD21 LEU A 101 3.240 -7.444 -9.928 1.00 0.00 H new ATOM 0 HD22 LEU A 101 4.244 -6.280 -9.032 1.00 0.00 H new ATOM 0 HD23 LEU A 101 2.471 -6.125 -9.014 1.00 0.00 H new ATOM 1543 N HIS A 102 4.286 -1.470 -8.817 1.00 0.00 N ATOM 1544 CA HIS A 102 4.728 -0.043 -8.794 1.00 0.00 C ATOM 1545 C HIS A 102 5.880 0.161 -7.800 1.00 0.00 C ATOM 1546 O HIS A 102 6.786 0.923 -8.053 1.00 0.00 O ATOM 1547 CB HIS A 102 3.551 0.868 -8.413 1.00 0.00 C ATOM 1548 CG HIS A 102 2.650 1.058 -9.604 1.00 0.00 C ATOM 1549 ND1 HIS A 102 2.833 2.091 -10.511 1.00 0.00 N ATOM 1550 CD2 HIS A 102 1.562 0.356 -10.049 1.00 0.00 C ATOM 1551 CE1 HIS A 102 1.875 1.982 -11.449 1.00 0.00 C ATOM 1552 NE2 HIS A 102 1.072 0.940 -11.216 1.00 0.00 N ATOM 0 H HIS A 102 3.359 -1.645 -8.429 1.00 0.00 H new ATOM 0 HA HIS A 102 5.081 0.217 -9.792 1.00 0.00 H new ATOM 0 HB2 HIS A 102 2.991 0.429 -7.588 1.00 0.00 H new ATOM 0 HB3 HIS A 102 3.922 1.833 -8.068 1.00 0.00 H new ATOM 0 HD2 HIS A 102 1.147 -0.518 -9.569 1.00 0.00 H new ATOM 0 HE1 HIS A 102 1.768 2.654 -12.287 1.00 0.00 H new ATOM 0 HE2 HIS A 102 0.273 0.637 -11.772 1.00 0.00 H new ATOM 1560 N LEU A 103 5.852 -0.480 -6.666 1.00 0.00 N ATOM 1561 CA LEU A 103 6.952 -0.256 -5.677 1.00 0.00 C ATOM 1562 C LEU A 103 8.314 -0.579 -6.294 1.00 0.00 C ATOM 1563 O LEU A 103 9.215 0.234 -6.262 1.00 0.00 O ATOM 1564 CB LEU A 103 6.730 -1.146 -4.452 1.00 0.00 C ATOM 1565 CG LEU A 103 5.528 -0.636 -3.648 1.00 0.00 C ATOM 1566 CD1 LEU A 103 5.170 -1.673 -2.578 1.00 0.00 C ATOM 1567 CD2 LEU A 103 5.861 0.716 -2.972 1.00 0.00 C ATOM 0 H LEU A 103 5.129 -1.140 -6.380 1.00 0.00 H new ATOM 0 HA LEU A 103 6.941 0.794 -5.383 1.00 0.00 H new ATOM 0 HB2 LEU A 103 6.558 -2.176 -4.766 1.00 0.00 H new ATOM 0 HB3 LEU A 103 7.623 -1.148 -3.826 1.00 0.00 H new ATOM 0 HG LEU A 103 4.684 -0.486 -4.321 1.00 0.00 H new ATOM 0 HD11 LEU A 103 4.316 -1.320 -2.000 1.00 0.00 H new ATOM 0 HD12 LEU A 103 4.917 -2.619 -3.058 1.00 0.00 H new ATOM 0 HD13 LEU A 103 6.022 -1.819 -1.914 1.00 0.00 H new ATOM 0 HD21 LEU A 103 4.996 1.062 -2.406 1.00 0.00 H new ATOM 0 HD22 LEU A 103 6.708 0.587 -2.298 1.00 0.00 H new ATOM 0 HD23 LEU A 103 6.114 1.452 -3.735 1.00 0.00 H new ATOM 1579 N LYS A 104 8.489 -1.739 -6.858 1.00 0.00 N ATOM 1580 CA LYS A 104 9.815 -2.050 -7.463 1.00 0.00 C ATOM 1581 C LYS A 104 10.029 -1.200 -8.722 1.00 0.00 C ATOM 1582 O LYS A 104 11.141 -1.022 -9.175 1.00 0.00 O ATOM 1583 CB LYS A 104 9.913 -3.539 -7.804 1.00 0.00 C ATOM 1584 CG LYS A 104 8.985 -3.875 -8.968 1.00 0.00 C ATOM 1585 CD LYS A 104 8.913 -5.398 -9.127 1.00 0.00 C ATOM 1586 CE LYS A 104 8.142 -5.758 -10.404 1.00 0.00 C ATOM 1587 NZ LYS A 104 9.086 -5.817 -11.556 1.00 0.00 N ATOM 0 H LYS A 104 7.786 -2.475 -6.927 1.00 0.00 H new ATOM 0 HA LYS A 104 10.594 -1.812 -6.739 1.00 0.00 H new ATOM 0 HB2 LYS A 104 10.941 -3.793 -8.064 1.00 0.00 H new ATOM 0 HB3 LYS A 104 9.647 -4.137 -6.933 1.00 0.00 H new ATOM 0 HG2 LYS A 104 7.990 -3.468 -8.786 1.00 0.00 H new ATOM 0 HG3 LYS A 104 9.353 -3.418 -9.887 1.00 0.00 H new ATOM 0 HD2 LYS A 104 9.919 -5.815 -9.170 1.00 0.00 H new ATOM 0 HD3 LYS A 104 8.422 -5.839 -8.260 1.00 0.00 H new ATOM 0 HE2 LYS A 104 7.642 -6.719 -10.281 1.00 0.00 H new ATOM 0 HE3 LYS A 104 7.366 -5.017 -10.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 8.563 -6.061 -12.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 9.544 -4.891 -11.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 9.811 -6.540 -11.374 1.00 0.00 H new ATOM 1601 N LYS A 105 8.977 -0.685 -9.302 1.00 0.00 N ATOM 1602 CA LYS A 105 9.140 0.137 -10.539 1.00 0.00 C ATOM 1603 C LYS A 105 9.940 1.411 -10.232 1.00 0.00 C ATOM 1604 O LYS A 105 10.893 1.733 -10.913 1.00 0.00 O ATOM 1605 CB LYS A 105 7.758 0.529 -11.070 1.00 0.00 C ATOM 1606 CG LYS A 105 7.912 1.241 -12.416 1.00 0.00 C ATOM 1607 CD LYS A 105 6.535 1.636 -12.953 1.00 0.00 C ATOM 1608 CE LYS A 105 6.696 2.343 -14.302 1.00 0.00 C ATOM 1609 NZ LYS A 105 7.009 1.334 -15.355 1.00 0.00 N ATOM 0 H LYS A 105 8.017 -0.796 -8.976 1.00 0.00 H new ATOM 0 HA LYS A 105 9.677 -0.449 -11.285 1.00 0.00 H new ATOM 0 HB2 LYS A 105 7.136 -0.358 -11.185 1.00 0.00 H new ATOM 0 HB3 LYS A 105 7.254 1.181 -10.357 1.00 0.00 H new ATOM 0 HG2 LYS A 105 8.535 2.128 -12.300 1.00 0.00 H new ATOM 0 HG3 LYS A 105 8.417 0.588 -13.128 1.00 0.00 H new ATOM 0 HD2 LYS A 105 5.910 0.751 -13.067 1.00 0.00 H new ATOM 0 HD3 LYS A 105 6.031 2.293 -12.244 1.00 0.00 H new ATOM 0 HE2 LYS A 105 5.781 2.878 -14.556 1.00 0.00 H new ATOM 0 HE3 LYS A 105 7.493 3.084 -14.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 6.952 1.781 -16.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 7.969 0.963 -15.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 6.324 0.553 -15.302 1.00 0.00 H new ATOM 1623 N LEU A 106 9.560 2.139 -9.217 1.00 0.00 N ATOM 1624 CA LEU A 106 10.300 3.392 -8.874 1.00 0.00 C ATOM 1625 C LEU A 106 11.743 3.057 -8.465 1.00 0.00 C ATOM 1626 O LEU A 106 12.628 3.883 -8.563 1.00 0.00 O ATOM 1627 CB LEU A 106 9.587 4.119 -7.724 1.00 0.00 C ATOM 1628 CG LEU A 106 8.381 4.919 -8.258 1.00 0.00 C ATOM 1629 CD1 LEU A 106 8.848 6.123 -9.111 1.00 0.00 C ATOM 1630 CD2 LEU A 106 7.492 4.001 -9.105 1.00 0.00 C ATOM 0 H LEU A 106 8.770 1.922 -8.610 1.00 0.00 H new ATOM 0 HA LEU A 106 10.322 4.041 -9.749 1.00 0.00 H new ATOM 0 HB2 LEU A 106 9.251 3.396 -6.981 1.00 0.00 H new ATOM 0 HB3 LEU A 106 10.284 4.791 -7.223 1.00 0.00 H new ATOM 0 HG LEU A 106 7.816 5.300 -7.408 1.00 0.00 H new ATOM 0 HD11 LEU A 106 7.978 6.670 -9.475 1.00 0.00 H new ATOM 0 HD12 LEU A 106 9.463 6.784 -8.501 1.00 0.00 H new ATOM 0 HD13 LEU A 106 9.432 5.764 -9.959 1.00 0.00 H new ATOM 0 HD21 LEU A 106 6.640 4.567 -9.482 1.00 0.00 H new ATOM 0 HD22 LEU A 106 8.068 3.610 -9.944 1.00 0.00 H new ATOM 0 HD23 LEU A 106 7.135 3.173 -8.492 1.00 0.00 H new ATOM 1642 N PHE A 107 11.987 1.862 -7.995 1.00 0.00 N ATOM 1643 CA PHE A 107 13.373 1.496 -7.568 1.00 0.00 C ATOM 1644 C PHE A 107 14.348 1.620 -8.747 1.00 0.00 C ATOM 1645 O PHE A 107 15.468 2.063 -8.590 1.00 0.00 O ATOM 1646 CB PHE A 107 13.390 0.054 -7.044 1.00 0.00 C ATOM 1647 CG PHE A 107 14.813 -0.348 -6.708 1.00 0.00 C ATOM 1648 CD1 PHE A 107 15.467 0.237 -5.617 1.00 0.00 C ATOM 1649 CD2 PHE A 107 15.477 -1.306 -7.486 1.00 0.00 C ATOM 1650 CE1 PHE A 107 16.779 -0.131 -5.305 1.00 0.00 C ATOM 1651 CE2 PHE A 107 16.791 -1.675 -7.172 1.00 0.00 C ATOM 1652 CZ PHE A 107 17.442 -1.086 -6.081 1.00 0.00 C ATOM 0 H PHE A 107 11.290 1.125 -7.888 1.00 0.00 H new ATOM 0 HA PHE A 107 13.684 2.178 -6.777 1.00 0.00 H new ATOM 0 HB2 PHE A 107 12.759 -0.030 -6.159 1.00 0.00 H new ATOM 0 HB3 PHE A 107 12.978 -0.621 -7.794 1.00 0.00 H new ATOM 0 HD1 PHE A 107 14.957 0.974 -5.015 1.00 0.00 H new ATOM 0 HD2 PHE A 107 14.975 -1.760 -8.328 1.00 0.00 H new ATOM 0 HE1 PHE A 107 17.281 0.323 -4.463 1.00 0.00 H new ATOM 0 HE2 PHE A 107 17.302 -2.414 -7.771 1.00 0.00 H new ATOM 0 HZ PHE A 107 18.456 -1.369 -5.839 1.00 0.00 H new ATOM 1662 N ARG A 108 13.942 1.220 -9.920 1.00 0.00 N ATOM 1663 CA ARG A 108 14.859 1.305 -11.094 1.00 0.00 C ATOM 1664 C ARG A 108 15.261 2.762 -11.351 1.00 0.00 C ATOM 1665 O ARG A 108 16.391 3.050 -11.691 1.00 0.00 O ATOM 1666 CB ARG A 108 14.166 0.735 -12.335 1.00 0.00 C ATOM 1667 CG ARG A 108 14.024 -0.781 -12.180 1.00 0.00 C ATOM 1668 CD ARG A 108 13.360 -1.372 -13.426 1.00 0.00 C ATOM 1669 NE ARG A 108 12.010 -0.768 -13.607 1.00 0.00 N ATOM 1670 CZ ARG A 108 11.367 -0.941 -14.728 1.00 0.00 C ATOM 1671 NH1 ARG A 108 11.891 -1.678 -15.670 1.00 0.00 N ATOM 1672 NH2 ARG A 108 10.201 -0.382 -14.907 1.00 0.00 N ATOM 0 H ARG A 108 13.017 0.838 -10.118 1.00 0.00 H new ATOM 0 HA ARG A 108 15.756 0.724 -10.881 1.00 0.00 H new ATOM 0 HB2 ARG A 108 13.185 1.193 -12.461 1.00 0.00 H new ATOM 0 HB3 ARG A 108 14.744 0.969 -13.229 1.00 0.00 H new ATOM 0 HG2 ARG A 108 15.004 -1.233 -12.030 1.00 0.00 H new ATOM 0 HG3 ARG A 108 13.429 -1.011 -11.296 1.00 0.00 H new ATOM 0 HD2 ARG A 108 13.976 -1.180 -14.304 1.00 0.00 H new ATOM 0 HD3 ARG A 108 13.275 -2.454 -13.327 1.00 0.00 H new ATOM 0 HE ARG A 108 11.590 -0.221 -12.856 1.00 0.00 H new ATOM 0 HH11 ARG A 108 12.801 -2.116 -15.528 1.00 0.00 H new ATOM 0 HH12 ARG A 108 11.390 -1.815 -16.548 1.00 0.00 H new ATOM 0 HH21 ARG A 108 9.792 0.191 -14.169 1.00 0.00 H new ATOM 0 HH22 ARG A 108 9.699 -0.518 -15.785 1.00 0.00 H new ATOM 1686 N GLU A 109 14.347 3.684 -11.208 1.00 0.00 N ATOM 1687 CA GLU A 109 14.689 5.115 -11.463 1.00 0.00 C ATOM 1688 C GLU A 109 15.327 5.736 -10.216 1.00 0.00 C ATOM 1689 O GLU A 109 15.867 6.823 -10.263 1.00 0.00 O ATOM 1690 CB GLU A 109 13.411 5.877 -11.815 1.00 0.00 C ATOM 1691 CG GLU A 109 12.922 5.433 -13.195 1.00 0.00 C ATOM 1692 CD GLU A 109 11.615 6.151 -13.535 1.00 0.00 C ATOM 1693 OE1 GLU A 109 11.061 6.782 -12.650 1.00 0.00 O ATOM 1694 OE2 GLU A 109 11.187 6.053 -14.673 1.00 0.00 O ATOM 0 H GLU A 109 13.382 3.510 -10.927 1.00 0.00 H new ATOM 0 HA GLU A 109 15.398 5.175 -12.288 1.00 0.00 H new ATOM 0 HB2 GLU A 109 12.643 5.687 -11.066 1.00 0.00 H new ATOM 0 HB3 GLU A 109 13.601 6.950 -11.812 1.00 0.00 H new ATOM 0 HG2 GLU A 109 13.677 5.657 -13.948 1.00 0.00 H new ATOM 0 HG3 GLU A 109 12.769 4.354 -13.207 1.00 0.00 H new ATOM 1701 N GLY A 110 15.281 5.055 -9.103 1.00 0.00 N ATOM 1702 CA GLY A 110 15.898 5.612 -7.866 1.00 0.00 C ATOM 1703 C GLY A 110 15.060 6.784 -7.349 1.00 0.00 C ATOM 1704 O GLY A 110 15.433 7.456 -6.409 1.00 0.00 O ATOM 0 H GLY A 110 14.844 4.139 -8.997 1.00 0.00 H new ATOM 0 HA2 GLY A 110 15.966 4.837 -7.102 1.00 0.00 H new ATOM 0 HA3 GLY A 110 16.915 5.944 -8.074 1.00 0.00 H new ATOM 1708 N ARG A 111 13.926 7.033 -7.950 1.00 0.00 N ATOM 1709 CA ARG A 111 13.062 8.162 -7.486 1.00 0.00 C ATOM 1710 C ARG A 111 12.008 7.604 -6.531 1.00 0.00 C ATOM 1711 O ARG A 111 11.031 7.019 -6.943 1.00 0.00 O ATOM 1712 CB ARG A 111 12.374 8.802 -8.694 1.00 0.00 C ATOM 1713 CG ARG A 111 13.419 9.498 -9.569 1.00 0.00 C ATOM 1714 CD ARG A 111 12.731 10.139 -10.777 1.00 0.00 C ATOM 1715 NE ARG A 111 13.757 10.739 -11.677 1.00 0.00 N ATOM 1716 CZ ARG A 111 13.441 11.067 -12.901 1.00 0.00 C ATOM 1717 NH1 ARG A 111 12.225 10.874 -13.332 1.00 0.00 N ATOM 1718 NH2 ARG A 111 14.340 11.588 -13.692 1.00 0.00 N ATOM 0 H ARG A 111 13.560 6.504 -8.742 1.00 0.00 H new ATOM 0 HA ARG A 111 13.664 8.915 -6.977 1.00 0.00 H new ATOM 0 HB2 ARG A 111 11.849 8.041 -9.272 1.00 0.00 H new ATOM 0 HB3 ARG A 111 11.626 9.522 -8.361 1.00 0.00 H new ATOM 0 HG2 ARG A 111 13.944 10.258 -8.991 1.00 0.00 H new ATOM 0 HG3 ARG A 111 14.167 8.778 -9.903 1.00 0.00 H new ATOM 0 HD2 ARG A 111 12.151 9.391 -11.318 1.00 0.00 H new ATOM 0 HD3 ARG A 111 12.031 10.906 -10.445 1.00 0.00 H new ATOM 0 HE ARG A 111 14.706 10.893 -11.337 1.00 0.00 H new ATOM 0 HH11 ARG A 111 11.523 10.468 -12.713 1.00 0.00 H new ATOM 0 HH12 ARG A 111 11.976 11.129 -14.288 1.00 0.00 H new ATOM 0 HH21 ARG A 111 15.290 11.739 -13.354 1.00 0.00 H new ATOM 0 HH22 ARG A 111 14.092 11.844 -14.648 1.00 0.00 H new ATOM 1732 N PHE A 112 12.213 7.757 -5.253 1.00 0.00 N ATOM 1733 CA PHE A 112 11.239 7.210 -4.261 1.00 0.00 C ATOM 1734 C PHE A 112 10.230 8.283 -3.851 1.00 0.00 C ATOM 1735 O PHE A 112 10.587 9.320 -3.327 1.00 0.00 O ATOM 1736 CB PHE A 112 12.022 6.731 -3.045 1.00 0.00 C ATOM 1737 CG PHE A 112 13.056 5.747 -3.524 1.00 0.00 C ATOM 1738 CD1 PHE A 112 12.700 4.413 -3.730 1.00 0.00 C ATOM 1739 CD2 PHE A 112 14.363 6.173 -3.785 1.00 0.00 C ATOM 1740 CE1 PHE A 112 13.651 3.501 -4.194 1.00 0.00 C ATOM 1741 CE2 PHE A 112 15.317 5.260 -4.248 1.00 0.00 C ATOM 1742 CZ PHE A 112 14.961 3.923 -4.454 1.00 0.00 C ATOM 0 H PHE A 112 13.016 8.239 -4.849 1.00 0.00 H new ATOM 0 HA PHE A 112 10.684 6.383 -4.703 1.00 0.00 H new ATOM 0 HB2 PHE A 112 12.499 7.572 -2.542 1.00 0.00 H new ATOM 0 HB3 PHE A 112 11.355 6.263 -2.321 1.00 0.00 H new ATOM 0 HD1 PHE A 112 11.690 4.086 -3.531 1.00 0.00 H new ATOM 0 HD2 PHE A 112 14.635 7.206 -3.629 1.00 0.00 H new ATOM 0 HE1 PHE A 112 13.376 2.469 -4.353 1.00 0.00 H new ATOM 0 HE2 PHE A 112 16.327 5.587 -4.446 1.00 0.00 H new ATOM 0 HZ PHE A 112 15.695 3.217 -4.813 1.00 0.00 H new ATOM 1752 N ASN A 113 8.967 8.034 -4.079 1.00 0.00 N ATOM 1753 CA ASN A 113 7.922 9.027 -3.696 1.00 0.00 C ATOM 1754 C ASN A 113 7.516 8.802 -2.239 1.00 0.00 C ATOM 1755 CB ASN A 113 6.700 8.861 -4.604 1.00 0.00 C ATOM 1756 CG ASN A 113 7.040 9.342 -6.016 1.00 0.00 C ATOM 1757 OD1 ASN A 113 7.930 10.149 -6.198 1.00 0.00 O ATOM 1758 ND2 ASN A 113 6.364 8.878 -7.031 1.00 0.00 N ATOM 1759 OXT ASN A 113 7.516 9.765 -1.490 1.00 0.00 O ATOM 0 H ASN A 113 8.614 7.182 -4.516 1.00 0.00 H new ATOM 0 HA ASN A 113 8.319 10.036 -3.809 1.00 0.00 H new ATOM 0 HB2 ASN A 113 6.393 7.816 -4.629 1.00 0.00 H new ATOM 0 HB3 ASN A 113 5.860 9.431 -4.207 1.00 0.00 H new ATOM 0 HD21 ASN A 113 6.583 9.193 -7.976 1.00 0.00 H new ATOM 0 HD22 ASN A 113 5.617 8.201 -6.879 1.00 0.00 H new