USER MOD reduce.3.24.130724 H: found=0, std=0, add=728, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 728 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 25 THR OG1 : rot 180:sc= -0.352 USER MOD Set 1.2: A 26 SER OG : rot 180:sc= -0.256 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot -63:sc= -3.8! USER MOD Single : A 11 GLN : amide:sc= -1.18! C(o=-1.2!,f=-2.6!) USER MOD Single : A 14 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.248) USER MOD Single : A 15 ASN : amide:sc= -4.03! C(o=-4!,f=-5.9!) USER MOD Single : A 18 ASN : amide:sc= -0.269 K(o=-0.27,f=-2.8!) USER MOD Single : A 28 GLN : amide:sc= -0.646 K(o=-0.65,f=-2.9!) USER MOD Single : A 31 THR OG1 : rot 89:sc= 0.458 USER MOD Single : A 32 SER OG : rot 94:sc= 0.124 USER MOD Single : A 38 SER OG : rot -152:sc= -1.87! USER MOD Single : A 39 GLN : amide:sc=-0.00284 X(o=-0.0028,f=0) USER MOD Single : A 48 LYS NZ :NH3+ -134:sc= -5.34! (180deg=-11.7!) USER MOD Single : A 53 GLN :FLIP amide:sc= -4.19! C(o=-5.1!,f=-4.2!) USER MOD Single : A 55 SER OG : rot -33:sc= 0.338 USER MOD Single : A 60 MET CE :methyl 163:sc= -9.98! (180deg=-10.4!) USER MOD Single : A 61 GLN : amide:sc= -1.14 X(o=-1.1,f=-0.78!) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 176:sc= 0.025 (180deg=0.00741) USER MOD Single : A 67 ASN : amide:sc= -0.786 K(o=-0.79,f=-2.9!) USER MOD Single : A 70 TYR OH : rot 180:sc= -0.0139 USER MOD Single : A 74 SER OG : rot -159:sc= -0.0746 USER MOD Single : A 82 ASN :FLIP amide:sc= -10.5! C(o=-12!,f=-11!) USER MOD Single : A 86 SER OG : rot -163:sc= -3.28! USER MOD Single : A 88 THR OG1 : rot -130:sc= -0.598 USER MOD Single : A 99 MET CE :methyl -110:sc= -1.29 (180deg=-2.58!) USER MOD Single : A 100 SER OG : rot 180:sc= -0.0409 USER MOD Single : A 105 HIS : no HE2:sc= -4.41! C(o=-4.4!,f=-6.6!) USER MOD Single : A 106 TYR OH : rot -52:sc= -0.551! USER MOD ----------------------------------------------------------------- ATOM 16 N LYS A 2 -8.179 -10.351 13.852 1.00 1.00 N ATOM 17 CA LYS A 2 -7.619 -9.020 14.015 1.00 1.00 C ATOM 18 C LYS A 2 -6.468 -8.830 13.023 1.00 1.00 C ATOM 19 O LYS A 2 -5.679 -9.747 12.800 1.00 1.00 O ATOM 20 CB LYS A 2 -7.221 -8.779 15.472 1.00 1.00 C ATOM 21 CG LYS A 2 -8.346 -8.082 16.239 1.00 1.00 C ATOM 22 CD LYS A 2 -8.181 -8.273 17.748 1.00 1.00 C ATOM 23 CE LYS A 2 -8.253 -6.933 18.482 1.00 1.00 C ATOM 24 NZ LYS A 2 -7.656 -7.048 19.832 1.00 1.00 N ATOM 0 HA LYS A 2 -8.368 -8.262 13.785 1.00 1.00 H new ATOM 0 HB2 LYS A 2 -6.985 -9.730 15.950 1.00 1.00 H new ATOM 0 HB3 LYS A 2 -6.318 -8.170 15.510 1.00 1.00 H new ATOM 0 HG2 LYS A 2 -8.348 -7.018 16.002 1.00 1.00 H new ATOM 0 HG3 LYS A 2 -9.309 -8.481 15.921 1.00 1.00 H new ATOM 0 HD2 LYS A 2 -8.960 -8.938 18.121 1.00 1.00 H new ATOM 0 HD3 LYS A 2 -7.225 -8.754 17.955 1.00 1.00 H new ATOM 0 HE2 LYS A 2 -7.727 -6.169 17.909 1.00 1.00 H new ATOM 0 HE3 LYS A 2 -9.291 -6.612 18.563 1.00 1.00 H new ATOM 0 HZ1 LYS A 2 -7.713 -6.129 20.316 1.00 1.00 H new ATOM 0 HZ2 LYS A 2 -8.175 -7.762 20.382 1.00 1.00 H new ATOM 0 HZ3 LYS A 2 -6.659 -7.333 19.748 1.00 1.00 H new ATOM 38 N PRO A 3 -6.408 -7.603 12.441 1.00 1.00 N ATOM 39 CA PRO A 3 -5.367 -7.282 11.478 1.00 1.00 C ATOM 40 C PRO A 3 -4.026 -7.054 12.178 1.00 1.00 C ATOM 41 O PRO A 3 -2.985 -7.491 11.690 1.00 1.00 O ATOM 42 CB PRO A 3 -5.874 -6.048 10.748 1.00 1.00 C ATOM 43 CG PRO A 3 -6.954 -5.453 11.637 1.00 1.00 C ATOM 44 CD PRO A 3 -7.326 -6.493 12.681 1.00 1.00 C ATOM 0 HA PRO A 3 -5.177 -8.094 10.776 1.00 1.00 H new ATOM 0 HB2 PRO A 3 -5.068 -5.334 10.582 1.00 1.00 H new ATOM 0 HB3 PRO A 3 -6.275 -6.310 9.769 1.00 1.00 H new ATOM 0 HG2 PRO A 3 -6.594 -4.543 12.117 1.00 1.00 H new ATOM 0 HG3 PRO A 3 -7.827 -5.178 11.045 1.00 1.00 H new ATOM 0 HD2 PRO A 3 -7.215 -6.098 13.691 1.00 1.00 H new ATOM 0 HD3 PRO A 3 -8.364 -6.807 12.575 1.00 1.00 H new ATOM 52 N ALA A 4 -4.094 -6.370 13.310 1.00 1.00 N ATOM 53 CA ALA A 4 -2.897 -6.078 14.082 1.00 1.00 C ATOM 54 C ALA A 4 -3.173 -4.897 15.015 1.00 1.00 C ATOM 55 O ALA A 4 -2.647 -4.844 16.125 1.00 1.00 O ATOM 56 CB ALA A 4 -1.729 -5.810 13.131 1.00 1.00 C ATOM 0 H ALA A 4 -4.959 -6.009 13.712 1.00 1.00 H new ATOM 0 HA ALA A 4 -2.622 -6.931 14.703 1.00 1.00 H new ATOM 0 HB1 ALA A 4 -0.832 -5.591 13.710 1.00 1.00 H new ATOM 0 HB2 ALA A 4 -1.555 -6.690 12.511 1.00 1.00 H new ATOM 0 HB3 ALA A 4 -1.967 -4.958 12.494 1.00 1.00 H new ATOM 62 N ALA A 5 -3.996 -3.980 14.529 1.00 1.00 N ATOM 63 CA ALA A 5 -4.347 -2.804 15.307 1.00 1.00 C ATOM 64 C ALA A 5 -3.379 -1.668 14.970 1.00 1.00 C ATOM 65 O ALA A 5 -3.769 -0.502 14.943 1.00 1.00 O ATOM 66 CB ALA A 5 -4.340 -3.154 16.796 1.00 1.00 C ATOM 0 H ALA A 5 -4.430 -4.027 13.607 1.00 1.00 H new ATOM 0 HA ALA A 5 -5.353 -2.466 15.058 1.00 1.00 H new ATOM 0 HB1 ALA A 5 -4.603 -2.271 17.379 1.00 1.00 H new ATOM 0 HB2 ALA A 5 -5.065 -3.945 16.987 1.00 1.00 H new ATOM 0 HB3 ALA A 5 -3.346 -3.496 17.085 1.00 1.00 H new ATOM 72 N CYS A 6 -2.134 -2.048 14.722 1.00 1.00 N ATOM 73 CA CYS A 6 -1.107 -1.076 14.388 1.00 1.00 C ATOM 74 C CYS A 6 -1.522 -0.362 13.101 1.00 1.00 C ATOM 75 O CYS A 6 -0.975 0.688 12.765 1.00 1.00 O ATOM 76 CB CYS A 6 0.270 -1.730 14.259 1.00 1.00 C ATOM 77 SG CYS A 6 0.990 -2.322 15.835 1.00 1.00 S ATOM 0 H CYS A 6 -1.813 -3.016 14.746 1.00 1.00 H new ATOM 0 HA CYS A 6 -1.017 -0.347 15.194 1.00 1.00 H new ATOM 0 HB2 CYS A 6 0.193 -2.573 13.572 1.00 1.00 H new ATOM 0 HB3 CYS A 6 0.956 -1.013 13.809 1.00 1.00 H new ATOM 82 N ARG A 7 -2.484 -0.959 12.414 1.00 1.00 N ATOM 83 CA ARG A 7 -2.979 -0.393 11.171 1.00 1.00 C ATOM 84 C ARG A 7 -4.440 0.035 11.326 1.00 1.00 C ATOM 85 O ARG A 7 -5.245 -0.150 10.415 1.00 1.00 O ATOM 86 CB ARG A 7 -2.869 -1.400 10.024 1.00 1.00 C ATOM 87 CG ARG A 7 -1.477 -2.032 9.981 1.00 1.00 C ATOM 88 CD ARG A 7 -1.417 -3.290 10.848 1.00 1.00 C ATOM 89 NE ARG A 7 -0.787 -4.396 10.094 1.00 1.00 N ATOM 90 CZ ARG A 7 -1.470 -5.319 9.403 1.00 1.00 C ATOM 91 NH1 ARG A 7 -2.809 -5.275 9.368 1.00 1.00 N ATOM 92 NH2 ARG A 7 -0.814 -6.287 8.748 1.00 1.00 N ATOM 0 H ARG A 7 -2.934 -1.830 12.695 1.00 1.00 H new ATOM 0 HA ARG A 7 -2.365 0.477 10.936 1.00 1.00 H new ATOM 0 HB2 ARG A 7 -3.622 -2.179 10.145 1.00 1.00 H new ATOM 0 HB3 ARG A 7 -3.075 -0.902 9.077 1.00 1.00 H new ATOM 0 HG2 ARG A 7 -1.220 -2.283 8.952 1.00 1.00 H new ATOM 0 HG3 ARG A 7 -0.736 -1.312 10.328 1.00 1.00 H new ATOM 0 HD2 ARG A 7 -0.849 -3.089 11.756 1.00 1.00 H new ATOM 0 HD3 ARG A 7 -2.422 -3.576 11.157 1.00 1.00 H new ATOM 0 HE ARG A 7 0.231 -4.460 10.100 1.00 1.00 H new ATOM 0 HH11 ARG A 7 -3.308 -4.539 9.867 1.00 1.00 H new ATOM 0 HH12 ARG A 7 -3.329 -5.978 8.842 1.00 1.00 H new ATOM 0 HH21 ARG A 7 0.205 -6.321 8.776 1.00 1.00 H new ATOM 0 HH22 ARG A 7 -1.334 -6.990 8.222 1.00 1.00 H new ATOM 106 N CYS A 8 -4.737 0.599 12.488 1.00 1.00 N ATOM 107 CA CYS A 8 -6.087 1.055 12.775 1.00 1.00 C ATOM 108 C CYS A 8 -5.999 2.241 13.737 1.00 1.00 C ATOM 109 O CYS A 8 -6.421 3.347 13.405 1.00 1.00 O ATOM 110 CB CYS A 8 -6.958 -0.072 13.334 1.00 1.00 C ATOM 111 SG CYS A 8 -6.725 -1.697 12.524 1.00 1.00 S ATOM 0 H CYS A 8 -4.066 0.751 13.241 1.00 1.00 H new ATOM 0 HA CYS A 8 -6.570 1.374 11.851 1.00 1.00 H new ATOM 0 HB2 CYS A 8 -6.749 -0.179 14.398 1.00 1.00 H new ATOM 0 HB3 CYS A 8 -8.005 0.217 13.242 1.00 1.00 H new ATOM 116 N SER A 9 -5.449 1.968 14.912 1.00 1.00 N ATOM 117 CA SER A 9 -5.301 2.999 15.925 1.00 1.00 C ATOM 118 C SER A 9 -4.303 4.058 15.453 1.00 1.00 C ATOM 119 O SER A 9 -4.378 5.215 15.866 1.00 1.00 O ATOM 120 CB SER A 9 -4.847 2.400 17.258 1.00 1.00 C ATOM 121 OG SER A 9 -3.579 1.759 17.150 1.00 1.00 O ATOM 0 H SER A 9 -5.101 1.049 15.184 1.00 1.00 H new ATOM 0 HA SER A 9 -6.273 3.468 16.079 1.00 1.00 H new ATOM 0 HB2 SER A 9 -4.792 3.187 18.010 1.00 1.00 H new ATOM 0 HB3 SER A 9 -5.589 1.680 17.604 1.00 1.00 H new ATOM 0 HG SER A 9 -3.646 1.004 16.529 1.00 1.00 H new ATOM 127 N ARG A 10 -3.392 3.626 14.593 1.00 1.00 N ATOM 128 CA ARG A 10 -2.381 4.522 14.060 1.00 1.00 C ATOM 129 C ARG A 10 -2.722 4.910 12.619 1.00 1.00 C ATOM 130 O ARG A 10 -1.848 5.330 11.862 1.00 1.00 O ATOM 131 CB ARG A 10 -0.996 3.872 14.092 1.00 1.00 C ATOM 132 CG ARG A 10 -0.491 3.729 15.529 1.00 1.00 C ATOM 133 CD ARG A 10 -0.077 5.086 16.103 1.00 1.00 C ATOM 134 NE ARG A 10 1.298 5.422 15.670 1.00 1.00 N ATOM 135 CZ ARG A 10 2.399 4.809 16.126 1.00 1.00 C ATOM 136 NH1 ARG A 10 2.294 3.827 17.031 1.00 1.00 N ATOM 137 NH2 ARG A 10 3.606 5.179 15.677 1.00 1.00 N ATOM 0 H ARG A 10 -3.333 2.666 14.252 1.00 1.00 H new ATOM 0 HA ARG A 10 -2.365 5.414 14.686 1.00 1.00 H new ATOM 0 HB2 ARG A 10 -1.040 2.891 13.619 1.00 1.00 H new ATOM 0 HB3 ARG A 10 -0.294 4.474 13.514 1.00 1.00 H new ATOM 0 HG2 ARG A 10 -1.272 3.290 16.150 1.00 1.00 H new ATOM 0 HG3 ARG A 10 0.358 3.046 15.554 1.00 1.00 H new ATOM 0 HD2 ARG A 10 -0.771 5.858 15.770 1.00 1.00 H new ATOM 0 HD3 ARG A 10 -0.128 5.060 17.192 1.00 1.00 H new ATOM 0 HE ARG A 10 1.415 6.166 14.982 1.00 1.00 H new ATOM 0 HH11 ARG A 10 1.375 3.545 17.374 1.00 1.00 H new ATOM 0 HH12 ARG A 10 3.133 3.361 17.377 1.00 1.00 H new ATOM 0 HH21 ARG A 10 3.687 5.927 14.988 1.00 1.00 H new ATOM 0 HH22 ARG A 10 4.444 4.713 16.024 1.00 1.00 H new ATOM 151 N GLN A 11 -3.993 4.756 12.284 1.00 1.00 N ATOM 152 CA GLN A 11 -4.461 5.084 10.949 1.00 1.00 C ATOM 153 C GLN A 11 -4.167 6.551 10.629 1.00 1.00 C ATOM 154 O GLN A 11 -3.013 6.926 10.422 1.00 1.00 O ATOM 155 CB GLN A 11 -5.952 4.778 10.798 1.00 1.00 C ATOM 156 CG GLN A 11 -6.181 3.295 10.502 1.00 1.00 C ATOM 157 CD GLN A 11 -6.274 3.044 8.995 1.00 1.00 C ATOM 158 OE1 GLN A 11 -6.730 3.877 8.228 1.00 1.00 O ATOM 159 NE2 GLN A 11 -5.819 1.854 8.615 1.00 1.00 N ATOM 0 H GLN A 11 -4.715 4.408 12.915 1.00 1.00 H new ATOM 0 HA GLN A 11 -3.923 4.461 10.234 1.00 1.00 H new ATOM 0 HB2 GLN A 11 -6.478 5.055 11.712 1.00 1.00 H new ATOM 0 HB3 GLN A 11 -6.371 5.382 9.993 1.00 1.00 H new ATOM 0 HG2 GLN A 11 -5.366 2.707 10.923 1.00 1.00 H new ATOM 0 HG3 GLN A 11 -7.098 2.961 10.987 1.00 1.00 H new ATOM 0 HE21 GLN A 11 -5.450 1.204 9.309 1.00 1.00 H new ATOM 0 HE22 GLN A 11 -5.839 1.591 7.630 1.00 1.00 H new ATOM 168 N ASP A 12 -5.229 7.342 10.600 1.00 1.00 N ATOM 169 CA ASP A 12 -5.100 8.759 10.310 1.00 1.00 C ATOM 170 C ASP A 12 -6.242 9.521 10.984 1.00 1.00 C ATOM 171 O ASP A 12 -7.356 9.007 11.094 1.00 1.00 O ATOM 172 CB ASP A 12 -5.179 9.024 8.805 1.00 1.00 C ATOM 173 CG ASP A 12 -5.108 10.498 8.402 1.00 1.00 C ATOM 174 OD1 ASP A 12 -6.171 11.154 8.459 1.00 1.00 O ATOM 175 OD2 ASP A 12 -3.994 10.935 8.045 1.00 1.00 O ATOM 0 H ASP A 12 -6.184 7.028 10.773 1.00 1.00 H new ATOM 0 HA ASP A 12 -4.132 9.091 10.684 1.00 1.00 H new ATOM 0 HB2 ASP A 12 -4.366 8.489 8.314 1.00 1.00 H new ATOM 0 HB3 ASP A 12 -6.111 8.604 8.426 1.00 1.00 H new ATOM 180 N PRO A 13 -5.921 10.764 11.429 1.00 1.00 N ATOM 181 CA PRO A 13 -6.908 11.601 12.090 1.00 1.00 C ATOM 182 C PRO A 13 -7.900 12.182 11.080 1.00 1.00 C ATOM 183 O PRO A 13 -8.464 13.252 11.302 1.00 1.00 O ATOM 184 CB PRO A 13 -6.101 12.669 12.811 1.00 1.00 C ATOM 185 CG PRO A 13 -4.730 12.669 12.152 1.00 1.00 C ATOM 186 CD PRO A 13 -4.615 11.406 11.316 1.00 1.00 C ATOM 0 HA PRO A 13 -7.526 11.044 12.795 1.00 1.00 H new ATOM 0 HB2 PRO A 13 -6.577 13.645 12.722 1.00 1.00 H new ATOM 0 HB3 PRO A 13 -6.023 12.448 13.876 1.00 1.00 H new ATOM 0 HG2 PRO A 13 -4.607 13.553 11.527 1.00 1.00 H new ATOM 0 HG3 PRO A 13 -3.944 12.700 12.906 1.00 1.00 H new ATOM 0 HD2 PRO A 13 -4.377 11.639 10.278 1.00 1.00 H new ATOM 0 HD3 PRO A 13 -3.822 10.757 11.687 1.00 1.00 H new ATOM 194 N LYS A 14 -8.083 11.450 9.991 1.00 1.00 N ATOM 195 CA LYS A 14 -8.997 11.878 8.945 1.00 1.00 C ATOM 196 C LYS A 14 -8.624 11.186 7.633 1.00 1.00 C ATOM 197 O LYS A 14 -7.864 11.730 6.833 1.00 1.00 O ATOM 198 CB LYS A 14 -9.022 13.405 8.850 1.00 1.00 C ATOM 199 CG LYS A 14 -10.216 13.982 9.612 1.00 1.00 C ATOM 200 CD LYS A 14 -9.871 15.343 10.222 1.00 1.00 C ATOM 201 CE LYS A 14 -10.657 15.579 11.513 1.00 1.00 C ATOM 202 NZ LYS A 14 -12.102 15.354 11.289 1.00 1.00 N ATOM 0 H LYS A 14 -7.614 10.563 9.810 1.00 1.00 H new ATOM 0 HA LYS A 14 -10.018 11.579 9.184 1.00 1.00 H new ATOM 0 HB2 LYS A 14 -8.096 13.813 9.255 1.00 1.00 H new ATOM 0 HB3 LYS A 14 -9.073 13.707 7.804 1.00 1.00 H new ATOM 0 HG2 LYS A 14 -11.066 14.086 8.938 1.00 1.00 H new ATOM 0 HG3 LYS A 14 -10.517 13.292 10.400 1.00 1.00 H new ATOM 0 HD2 LYS A 14 -8.802 15.393 10.428 1.00 1.00 H new ATOM 0 HD3 LYS A 14 -10.094 16.134 9.506 1.00 1.00 H new ATOM 0 HE2 LYS A 14 -10.295 14.909 12.293 1.00 1.00 H new ATOM 0 HE3 LYS A 14 -10.492 16.597 11.865 1.00 1.00 H new ATOM 0 HZ1 LYS A 14 -12.643 15.756 12.081 1.00 1.00 H new ATOM 0 HZ2 LYS A 14 -12.392 15.815 10.403 1.00 1.00 H new ATOM 0 HZ3 LYS A 14 -12.288 14.333 11.225 1.00 1.00 H new ATOM 216 N ASN A 15 -9.177 9.995 7.451 1.00 1.00 N ATOM 217 CA ASN A 15 -8.911 9.222 6.250 1.00 1.00 C ATOM 218 C ASN A 15 -10.234 8.711 5.676 1.00 1.00 C ATOM 219 O ASN A 15 -10.244 7.985 4.683 1.00 1.00 O ATOM 220 CB ASN A 15 -8.029 8.011 6.557 1.00 1.00 C ATOM 221 CG ASN A 15 -6.578 8.271 6.150 1.00 1.00 C ATOM 222 OD1 ASN A 15 -6.242 9.289 5.567 1.00 1.00 O ATOM 223 ND2 ASN A 15 -5.739 7.295 6.486 1.00 1.00 N ATOM 0 H ASN A 15 -9.808 9.547 8.115 1.00 1.00 H new ATOM 0 HA ASN A 15 -8.398 9.869 5.539 1.00 1.00 H new ATOM 0 HB2 ASN A 15 -8.076 7.783 7.622 1.00 1.00 H new ATOM 0 HB3 ASN A 15 -8.408 7.137 6.027 1.00 1.00 H new ATOM 0 HD21 ASN A 15 -4.748 7.373 6.256 1.00 1.00 H new ATOM 0 HD22 ASN A 15 -6.086 6.469 6.973 1.00 1.00 H new ATOM 230 N ARG A 16 -11.318 9.111 6.325 1.00 1.00 N ATOM 231 CA ARG A 16 -12.643 8.702 5.891 1.00 1.00 C ATOM 232 C ARG A 16 -12.650 7.215 5.533 1.00 1.00 C ATOM 233 O ARG A 16 -11.666 6.514 5.763 1.00 1.00 O ATOM 234 CB ARG A 16 -13.100 9.514 4.676 1.00 1.00 C ATOM 235 CG ARG A 16 -12.078 9.421 3.540 1.00 1.00 C ATOM 236 CD ARG A 16 -12.609 10.089 2.270 1.00 1.00 C ATOM 237 NE ARG A 16 -12.586 11.561 2.425 1.00 1.00 N ATOM 238 CZ ARG A 16 -12.841 12.424 1.433 1.00 1.00 C ATOM 239 NH1 ARG A 16 -13.139 11.969 0.208 1.00 1.00 N ATOM 240 NH2 ARG A 16 -12.798 13.744 1.665 1.00 1.00 N ATOM 0 H ARG A 16 -11.306 9.714 7.148 1.00 1.00 H new ATOM 0 HA ARG A 16 -13.332 8.884 6.716 1.00 1.00 H new ATOM 0 HB2 ARG A 16 -14.067 9.147 4.331 1.00 1.00 H new ATOM 0 HB3 ARG A 16 -13.238 10.557 4.962 1.00 1.00 H new ATOM 0 HG2 ARG A 16 -11.146 9.898 3.844 1.00 1.00 H new ATOM 0 HG3 ARG A 16 -11.849 8.375 3.337 1.00 1.00 H new ATOM 0 HD2 ARG A 16 -12.002 9.796 1.414 1.00 1.00 H new ATOM 0 HD3 ARG A 16 -13.626 9.752 2.070 1.00 1.00 H new ATOM 0 HE ARG A 16 -12.362 11.942 3.344 1.00 1.00 H new ATOM 0 HH11 ARG A 16 -13.172 10.965 0.031 1.00 1.00 H new ATOM 0 HH12 ARG A 16 -13.333 12.627 -0.547 1.00 1.00 H new ATOM 0 HH21 ARG A 16 -12.571 14.091 2.597 1.00 1.00 H new ATOM 0 HH22 ARG A 16 -12.992 14.401 0.909 1.00 1.00 H new ATOM 254 N VAL A 17 -13.770 6.778 4.978 1.00 1.00 N ATOM 255 CA VAL A 17 -13.918 5.385 4.588 1.00 1.00 C ATOM 256 C VAL A 17 -14.385 4.568 5.794 1.00 1.00 C ATOM 257 O VAL A 17 -13.834 4.695 6.885 1.00 1.00 O ATOM 258 CB VAL A 17 -12.609 4.869 3.987 1.00 1.00 C ATOM 259 CG1 VAL A 17 -12.830 3.551 3.241 1.00 1.00 C ATOM 260 CG2 VAL A 17 -11.975 5.918 3.072 1.00 1.00 C ATOM 0 H VAL A 17 -14.584 7.363 4.789 1.00 1.00 H new ATOM 0 HA VAL A 17 -14.679 5.284 3.814 1.00 1.00 H new ATOM 0 HB VAL A 17 -11.916 4.677 4.807 1.00 1.00 H new ATOM 0 HG11 VAL A 17 -11.884 3.206 2.824 1.00 1.00 H new ATOM 0 HG12 VAL A 17 -13.216 2.802 3.932 1.00 1.00 H new ATOM 0 HG13 VAL A 17 -13.548 3.705 2.435 1.00 1.00 H new ATOM 0 HG21 VAL A 17 -11.046 5.526 2.658 1.00 1.00 H new ATOM 0 HG22 VAL A 17 -12.662 6.156 2.260 1.00 1.00 H new ATOM 0 HG23 VAL A 17 -11.764 6.821 3.645 1.00 1.00 H new ATOM 270 N ASN A 18 -15.399 3.749 5.556 1.00 1.00 N ATOM 271 CA ASN A 18 -15.947 2.912 6.609 1.00 1.00 C ATOM 272 C ASN A 18 -16.086 1.477 6.094 1.00 1.00 C ATOM 273 O ASN A 18 -16.335 1.261 4.909 1.00 1.00 O ATOM 274 CB ASN A 18 -17.334 3.398 7.033 1.00 1.00 C ATOM 275 CG ASN A 18 -18.276 3.489 5.830 1.00 1.00 C ATOM 276 OD1 ASN A 18 -17.983 4.118 4.827 1.00 1.00 O ATOM 277 ND2 ASN A 18 -19.418 2.827 5.986 1.00 1.00 N ATOM 0 H ASN A 18 -15.855 3.647 4.649 1.00 1.00 H new ATOM 0 HA ASN A 18 -15.271 2.959 7.463 1.00 1.00 H new ATOM 0 HB2 ASN A 18 -17.751 2.717 7.775 1.00 1.00 H new ATOM 0 HB3 ASN A 18 -17.251 4.375 7.509 1.00 1.00 H new ATOM 0 HD21 ASN A 18 -20.113 2.826 5.239 1.00 1.00 H new ATOM 0 HD22 ASN A 18 -19.600 2.320 6.852 1.00 1.00 H new ATOM 284 N CYS A 19 -15.918 0.535 7.010 1.00 1.00 N ATOM 285 CA CYS A 19 -16.022 -0.873 6.664 1.00 1.00 C ATOM 286 C CYS A 19 -16.787 -1.587 7.779 1.00 1.00 C ATOM 287 O CYS A 19 -16.253 -2.487 8.425 1.00 1.00 O ATOM 288 CB CYS A 19 -14.647 -1.498 6.423 1.00 1.00 C ATOM 289 SG CYS A 19 -14.674 -3.288 6.042 1.00 1.00 S ATOM 0 H CYS A 19 -15.711 0.719 7.992 1.00 1.00 H new ATOM 0 HA CYS A 19 -16.567 -0.981 5.726 1.00 1.00 H new ATOM 0 HB2 CYS A 19 -14.164 -0.973 5.599 1.00 1.00 H new ATOM 0 HB3 CYS A 19 -14.031 -1.338 7.308 1.00 1.00 H new ATOM 294 N GLY A 20 -18.026 -1.159 7.972 1.00 1.00 N ATOM 295 CA GLY A 20 -18.869 -1.747 8.998 1.00 1.00 C ATOM 296 C GLY A 20 -20.309 -1.239 8.881 1.00 1.00 C ATOM 297 O GLY A 20 -20.861 -1.175 7.784 1.00 1.00 O ATOM 0 H GLY A 20 -18.466 -0.412 7.435 1.00 1.00 H new ATOM 0 HA2 GLY A 20 -18.854 -2.833 8.908 1.00 1.00 H new ATOM 0 HA3 GLY A 20 -18.472 -1.503 9.984 1.00 1.00 H new ATOM 301 N PHE A 21 -20.875 -0.893 10.028 1.00 1.00 N ATOM 302 CA PHE A 21 -22.240 -0.394 10.068 1.00 1.00 C ATOM 303 C PHE A 21 -22.459 0.504 11.286 1.00 1.00 C ATOM 304 O PHE A 21 -21.680 0.468 12.237 1.00 1.00 O ATOM 305 CB PHE A 21 -23.158 -1.613 10.175 1.00 1.00 C ATOM 306 CG PHE A 21 -22.896 -2.483 11.405 1.00 1.00 C ATOM 307 CD1 PHE A 21 -21.988 -3.493 11.343 1.00 1.00 C ATOM 308 CD2 PHE A 21 -23.572 -2.248 12.562 1.00 1.00 C ATOM 309 CE1 PHE A 21 -21.744 -4.301 12.484 1.00 1.00 C ATOM 310 CE2 PHE A 21 -23.329 -3.056 13.703 1.00 1.00 C ATOM 311 CZ PHE A 21 -22.420 -4.066 13.641 1.00 1.00 C ATOM 0 H PHE A 21 -20.414 -0.948 10.936 1.00 1.00 H new ATOM 0 HA PHE A 21 -22.448 0.195 9.175 1.00 1.00 H new ATOM 0 HB2 PHE A 21 -24.194 -1.274 10.196 1.00 1.00 H new ATOM 0 HB3 PHE A 21 -23.041 -2.223 9.279 1.00 1.00 H new ATOM 0 HD1 PHE A 21 -21.452 -3.681 10.424 1.00 1.00 H new ATOM 0 HD2 PHE A 21 -24.294 -1.446 12.612 1.00 1.00 H new ATOM 0 HE1 PHE A 21 -21.022 -5.102 12.434 1.00 1.00 H new ATOM 0 HE2 PHE A 21 -23.866 -2.869 14.621 1.00 1.00 H new ATOM 0 HZ PHE A 21 -22.235 -4.681 14.509 1.00 1.00 H new ATOM 321 N PRO A 22 -23.551 1.311 11.217 1.00 1.00 N ATOM 322 CA PRO A 22 -23.884 2.217 12.304 1.00 1.00 C ATOM 323 C PRO A 22 -24.478 1.456 13.490 1.00 1.00 C ATOM 324 O PRO A 22 -25.616 0.994 13.429 1.00 1.00 O ATOM 325 CB PRO A 22 -24.852 3.219 11.697 1.00 1.00 C ATOM 326 CG PRO A 22 -25.385 2.571 10.430 1.00 1.00 C ATOM 327 CD PRO A 22 -24.497 1.380 10.106 1.00 1.00 C ATOM 0 HA PRO A 22 -23.010 2.724 12.712 1.00 1.00 H new ATOM 0 HB2 PRO A 22 -25.662 3.447 12.389 1.00 1.00 H new ATOM 0 HB3 PRO A 22 -24.350 4.160 11.473 1.00 1.00 H new ATOM 0 HG2 PRO A 22 -26.417 2.250 10.570 1.00 1.00 H new ATOM 0 HG3 PRO A 22 -25.382 3.285 9.606 1.00 1.00 H new ATOM 0 HD2 PRO A 22 -25.079 0.462 10.024 1.00 1.00 H new ATOM 0 HD3 PRO A 22 -23.982 1.517 9.155 1.00 1.00 H new ATOM 335 N GLY A 23 -23.680 1.349 14.543 1.00 1.00 N ATOM 336 CA GLY A 23 -24.112 0.652 15.742 1.00 1.00 C ATOM 337 C GLY A 23 -23.185 -0.523 16.058 1.00 1.00 C ATOM 338 O GLY A 23 -23.443 -1.291 16.983 1.00 1.00 O ATOM 0 H GLY A 23 -22.736 1.734 14.590 1.00 1.00 H new ATOM 0 HA2 GLY A 23 -24.127 1.344 16.584 1.00 1.00 H new ATOM 0 HA3 GLY A 23 -25.131 0.290 15.609 1.00 1.00 H new ATOM 342 N ILE A 24 -22.124 -0.627 15.270 1.00 1.00 N ATOM 343 CA ILE A 24 -21.157 -1.695 15.454 1.00 1.00 C ATOM 344 C ILE A 24 -20.568 -1.607 16.863 1.00 1.00 C ATOM 345 O ILE A 24 -20.802 -0.633 17.578 1.00 1.00 O ATOM 346 CB ILE A 24 -20.105 -1.663 14.344 1.00 1.00 C ATOM 347 CG1 ILE A 24 -19.343 -2.987 14.272 1.00 1.00 C ATOM 348 CG2 ILE A 24 -19.165 -0.468 14.515 1.00 1.00 C ATOM 349 CD1 ILE A 24 -18.877 -3.275 12.843 1.00 1.00 C ATOM 0 H ILE A 24 -21.913 0.011 14.503 1.00 1.00 H new ATOM 0 HA ILE A 24 -21.643 -2.667 15.372 1.00 1.00 H new ATOM 0 HB ILE A 24 -20.618 -1.536 13.391 1.00 1.00 H new ATOM 0 HG12 ILE A 24 -18.482 -2.952 14.939 1.00 1.00 H new ATOM 0 HG13 ILE A 24 -19.983 -3.798 14.620 1.00 1.00 H new ATOM 0 HG21 ILE A 24 -18.427 -0.468 13.713 1.00 1.00 H new ATOM 0 HG22 ILE A 24 -19.741 0.456 14.477 1.00 1.00 H new ATOM 0 HG23 ILE A 24 -18.657 -0.540 15.476 1.00 1.00 H new ATOM 0 HD11 ILE A 24 -18.338 -4.222 12.820 1.00 1.00 H new ATOM 0 HD12 ILE A 24 -19.742 -3.334 12.183 1.00 1.00 H new ATOM 0 HD13 ILE A 24 -18.218 -2.474 12.507 1.00 1.00 H new ATOM 361 N THR A 25 -19.814 -2.637 17.220 1.00 1.00 N ATOM 362 CA THR A 25 -19.189 -2.687 18.532 1.00 1.00 C ATOM 363 C THR A 25 -17.666 -2.633 18.398 1.00 1.00 C ATOM 364 O THR A 25 -17.017 -1.772 18.991 1.00 1.00 O ATOM 365 CB THR A 25 -19.693 -3.941 19.247 1.00 1.00 C ATOM 366 OG1 THR A 25 -18.985 -5.007 18.620 1.00 1.00 O ATOM 367 CG2 THR A 25 -21.163 -4.240 18.941 1.00 1.00 C ATOM 0 H THR A 25 -19.622 -3.443 16.625 1.00 1.00 H new ATOM 0 HA THR A 25 -19.462 -1.821 19.135 1.00 1.00 H new ATOM 0 HB THR A 25 -19.563 -3.821 20.323 1.00 1.00 H new ATOM 0 HG1 THR A 25 -19.251 -5.859 19.025 1.00 1.00 H new ATOM 0 HG21 THR A 25 -21.470 -5.140 19.474 1.00 1.00 H new ATOM 0 HG22 THR A 25 -21.780 -3.400 19.262 1.00 1.00 H new ATOM 0 HG23 THR A 25 -21.288 -4.393 17.869 1.00 1.00 H new ATOM 375 N SER A 26 -17.139 -3.565 17.616 1.00 1.00 N ATOM 376 CA SER A 26 -15.704 -3.635 17.397 1.00 1.00 C ATOM 377 C SER A 26 -15.314 -5.039 16.934 1.00 1.00 C ATOM 378 O SER A 26 -14.935 -5.233 15.780 1.00 1.00 O ATOM 379 CB SER A 26 -14.936 -3.261 18.666 1.00 1.00 C ATOM 380 OG SER A 26 -15.522 -3.829 19.833 1.00 1.00 O ATOM 0 H SER A 26 -17.680 -4.278 17.127 1.00 1.00 H new ATOM 0 HA SER A 26 -15.440 -2.918 16.620 1.00 1.00 H new ATOM 0 HB2 SER A 26 -13.904 -3.600 18.578 1.00 1.00 H new ATOM 0 HB3 SER A 26 -14.908 -2.176 18.766 1.00 1.00 H new ATOM 0 HG SER A 26 -15.001 -3.567 20.621 1.00 1.00 H new ATOM 386 N ASP A 27 -15.417 -5.983 17.859 1.00 1.00 N ATOM 387 CA ASP A 27 -15.079 -7.364 17.559 1.00 1.00 C ATOM 388 C ASP A 27 -15.636 -7.734 16.184 1.00 1.00 C ATOM 389 O ASP A 27 -14.886 -8.123 15.290 1.00 1.00 O ATOM 390 CB ASP A 27 -15.690 -8.316 18.590 1.00 1.00 C ATOM 391 CG ASP A 27 -14.726 -9.358 19.158 1.00 1.00 C ATOM 392 OD1 ASP A 27 -14.339 -10.259 18.381 1.00 1.00 O ATOM 393 OD2 ASP A 27 -14.398 -9.233 20.358 1.00 1.00 O ATOM 0 H ASP A 27 -15.730 -5.818 18.816 1.00 1.00 H new ATOM 0 HA ASP A 27 -13.993 -7.458 17.580 1.00 1.00 H new ATOM 0 HB2 ASP A 27 -16.091 -7.726 19.414 1.00 1.00 H new ATOM 0 HB3 ASP A 27 -16.532 -8.834 18.130 1.00 1.00 H new ATOM 398 N GLN A 28 -16.949 -7.601 16.057 1.00 1.00 N ATOM 399 CA GLN A 28 -17.616 -7.918 14.805 1.00 1.00 C ATOM 400 C GLN A 28 -16.953 -7.168 13.647 1.00 1.00 C ATOM 401 O GLN A 28 -16.985 -7.627 12.507 1.00 1.00 O ATOM 402 CB GLN A 28 -19.109 -7.596 14.883 1.00 1.00 C ATOM 403 CG GLN A 28 -19.822 -8.536 15.857 1.00 1.00 C ATOM 404 CD GLN A 28 -20.018 -9.922 15.238 1.00 1.00 C ATOM 405 OE1 GLN A 28 -19.075 -10.647 14.966 1.00 1.00 O ATOM 406 NE2 GLN A 28 -21.289 -10.247 15.031 1.00 1.00 N ATOM 0 H GLN A 28 -17.568 -7.278 16.800 1.00 1.00 H new ATOM 0 HA GLN A 28 -17.518 -8.988 14.623 1.00 1.00 H new ATOM 0 HB2 GLN A 28 -19.246 -6.563 15.203 1.00 1.00 H new ATOM 0 HB3 GLN A 28 -19.556 -7.685 13.893 1.00 1.00 H new ATOM 0 HG2 GLN A 28 -19.241 -8.623 16.775 1.00 1.00 H new ATOM 0 HG3 GLN A 28 -20.790 -8.116 16.131 1.00 1.00 H new ATOM 0 HE21 GLN A 28 -22.030 -9.593 15.282 1.00 1.00 H new ATOM 0 HE22 GLN A 28 -21.524 -11.151 14.621 1.00 1.00 H new ATOM 415 N CYS A 29 -16.369 -6.026 13.980 1.00 1.00 N ATOM 416 CA CYS A 29 -15.700 -5.209 12.982 1.00 1.00 C ATOM 417 C CYS A 29 -14.274 -5.734 12.808 1.00 1.00 C ATOM 418 O CYS A 29 -13.698 -5.633 11.726 1.00 1.00 O ATOM 419 CB CYS A 29 -15.720 -3.726 13.359 1.00 1.00 C ATOM 420 SG CYS A 29 -15.467 -2.575 11.960 1.00 1.00 S ATOM 0 H CYS A 29 -16.345 -5.647 14.927 1.00 1.00 H new ATOM 0 HA CYS A 29 -16.231 -5.283 12.033 1.00 1.00 H new ATOM 0 HB2 CYS A 29 -16.676 -3.498 13.830 1.00 1.00 H new ATOM 0 HB3 CYS A 29 -14.946 -3.545 14.105 1.00 1.00 H new ATOM 425 N PHE A 30 -13.743 -6.285 13.891 1.00 1.00 N ATOM 426 CA PHE A 30 -12.395 -6.826 13.872 1.00 1.00 C ATOM 427 C PHE A 30 -12.401 -8.296 13.449 1.00 1.00 C ATOM 428 O PHE A 30 -11.349 -8.930 13.377 1.00 1.00 O ATOM 429 CB PHE A 30 -11.850 -6.719 15.297 1.00 1.00 C ATOM 430 CG PHE A 30 -11.482 -5.295 15.718 1.00 1.00 C ATOM 431 CD1 PHE A 30 -10.665 -4.543 14.932 1.00 1.00 C ATOM 432 CD2 PHE A 30 -11.972 -4.781 16.878 1.00 1.00 C ATOM 433 CE1 PHE A 30 -10.325 -3.221 15.323 1.00 1.00 C ATOM 434 CE2 PHE A 30 -11.631 -3.459 17.269 1.00 1.00 C ATOM 435 CZ PHE A 30 -10.815 -2.707 16.483 1.00 1.00 C ATOM 0 H PHE A 30 -14.223 -6.368 14.787 1.00 1.00 H new ATOM 0 HA PHE A 30 -11.782 -6.273 13.160 1.00 1.00 H new ATOM 0 HB2 PHE A 30 -12.595 -7.111 15.990 1.00 1.00 H new ATOM 0 HB3 PHE A 30 -10.967 -7.353 15.386 1.00 1.00 H new ATOM 0 HD1 PHE A 30 -10.275 -4.951 14.011 1.00 1.00 H new ATOM 0 HD2 PHE A 30 -12.620 -5.378 17.502 1.00 1.00 H new ATOM 0 HE1 PHE A 30 -9.677 -2.623 14.699 1.00 1.00 H new ATOM 0 HE2 PHE A 30 -12.020 -3.051 18.190 1.00 1.00 H new ATOM 0 HZ PHE A 30 -10.556 -1.701 16.780 1.00 1.00 H new ATOM 445 N THR A 31 -13.598 -8.797 13.180 1.00 1.00 N ATOM 446 CA THR A 31 -13.754 -10.181 12.766 1.00 1.00 C ATOM 447 C THR A 31 -14.069 -10.258 11.271 1.00 1.00 C ATOM 448 O THR A 31 -14.020 -11.335 10.677 1.00 1.00 O ATOM 449 CB THR A 31 -14.829 -10.819 13.647 1.00 1.00 C ATOM 450 OG1 THR A 31 -14.466 -10.437 14.971 1.00 1.00 O ATOM 451 CG2 THR A 31 -14.743 -12.346 13.663 1.00 1.00 C ATOM 0 H THR A 31 -14.469 -8.269 13.241 1.00 1.00 H new ATOM 0 HA THR A 31 -12.829 -10.741 12.900 1.00 1.00 H new ATOM 0 HB THR A 31 -15.814 -10.515 13.294 1.00 1.00 H new ATOM 0 HG1 THR A 31 -14.879 -9.575 15.188 1.00 1.00 H new ATOM 0 HG21 THR A 31 -15.528 -12.748 14.303 1.00 1.00 H new ATOM 0 HG22 THR A 31 -14.869 -12.728 12.650 1.00 1.00 H new ATOM 0 HG23 THR A 31 -13.770 -12.652 14.047 1.00 1.00 H new ATOM 459 N SER A 32 -14.386 -9.103 10.705 1.00 1.00 N ATOM 460 CA SER A 32 -14.708 -9.026 9.290 1.00 1.00 C ATOM 461 C SER A 32 -13.485 -8.561 8.499 1.00 1.00 C ATOM 462 O SER A 32 -13.602 -8.183 7.334 1.00 1.00 O ATOM 463 CB SER A 32 -15.889 -8.085 9.046 1.00 1.00 C ATOM 464 OG SER A 32 -15.716 -6.830 9.698 1.00 1.00 O ATOM 0 H SER A 32 -14.427 -8.212 11.201 1.00 1.00 H new ATOM 0 HA SER A 32 -14.994 -10.021 8.949 1.00 1.00 H new ATOM 0 HB2 SER A 32 -16.008 -7.923 7.975 1.00 1.00 H new ATOM 0 HB3 SER A 32 -16.806 -8.555 9.402 1.00 1.00 H new ATOM 0 HG SER A 32 -15.309 -6.192 9.076 1.00 1.00 H new ATOM 470 N GLY A 33 -12.339 -8.601 9.163 1.00 1.00 N ATOM 471 CA GLY A 33 -11.095 -8.188 8.536 1.00 1.00 C ATOM 472 C GLY A 33 -10.981 -6.663 8.497 1.00 1.00 C ATOM 473 O GLY A 33 -10.001 -6.123 7.986 1.00 1.00 O ATOM 0 H GLY A 33 -12.246 -8.913 10.130 1.00 1.00 H new ATOM 0 HA2 GLY A 33 -10.251 -8.605 9.085 1.00 1.00 H new ATOM 0 HA3 GLY A 33 -11.045 -8.586 7.523 1.00 1.00 H new ATOM 477 N CYS A 34 -11.997 -6.011 9.044 1.00 1.00 N ATOM 478 CA CYS A 34 -12.023 -4.559 9.078 1.00 1.00 C ATOM 479 C CYS A 34 -11.464 -4.101 10.427 1.00 1.00 C ATOM 480 O CYS A 34 -11.149 -4.923 11.284 1.00 1.00 O ATOM 481 CB CYS A 34 -13.430 -4.013 8.828 1.00 1.00 C ATOM 482 SG CYS A 34 -14.224 -4.612 7.292 1.00 1.00 S ATOM 0 H CYS A 34 -12.808 -6.462 9.467 1.00 1.00 H new ATOM 0 HA CYS A 34 -11.402 -4.162 8.275 1.00 1.00 H new ATOM 0 HB2 CYS A 34 -14.063 -4.278 9.675 1.00 1.00 H new ATOM 0 HB3 CYS A 34 -13.382 -2.925 8.795 1.00 1.00 H new ATOM 487 N CYS A 35 -11.357 -2.788 10.571 1.00 1.00 N ATOM 488 CA CYS A 35 -10.841 -2.210 11.800 1.00 1.00 C ATOM 489 C CYS A 35 -11.948 -1.365 12.435 1.00 1.00 C ATOM 490 O CYS A 35 -13.001 -1.162 11.833 1.00 1.00 O ATOM 491 CB CYS A 35 -9.572 -1.394 11.552 1.00 1.00 C ATOM 492 SG CYS A 35 -8.039 -2.383 11.405 1.00 1.00 S ATOM 0 H CYS A 35 -11.619 -2.108 9.857 1.00 1.00 H new ATOM 0 HA CYS A 35 -10.553 -3.006 12.487 1.00 1.00 H new ATOM 0 HB2 CYS A 35 -9.703 -0.814 10.638 1.00 1.00 H new ATOM 0 HB3 CYS A 35 -9.451 -0.681 12.367 1.00 1.00 H new ATOM 497 N PHE A 36 -11.671 -0.896 13.643 1.00 1.00 N ATOM 498 CA PHE A 36 -12.630 -0.078 14.366 1.00 1.00 C ATOM 499 C PHE A 36 -11.920 0.881 15.324 1.00 1.00 C ATOM 500 O PHE A 36 -11.751 0.574 16.503 1.00 1.00 O ATOM 501 CB PHE A 36 -13.510 -1.032 15.176 1.00 1.00 C ATOM 502 CG PHE A 36 -14.287 -0.353 16.307 1.00 1.00 C ATOM 503 CD1 PHE A 36 -15.411 0.359 16.027 1.00 1.00 C ATOM 504 CD2 PHE A 36 -13.852 -0.460 17.591 1.00 1.00 C ATOM 505 CE1 PHE A 36 -16.132 0.989 17.076 1.00 1.00 C ATOM 506 CE2 PHE A 36 -14.573 0.170 18.639 1.00 1.00 C ATOM 507 CZ PHE A 36 -15.698 0.881 18.360 1.00 1.00 C ATOM 0 H PHE A 36 -10.796 -1.067 14.139 1.00 1.00 H new ATOM 0 HA PHE A 36 -13.214 0.518 13.665 1.00 1.00 H new ATOM 0 HB2 PHE A 36 -14.217 -1.517 14.503 1.00 1.00 H new ATOM 0 HB3 PHE A 36 -12.883 -1.817 15.600 1.00 1.00 H new ATOM 0 HD1 PHE A 36 -15.755 0.445 15.007 1.00 1.00 H new ATOM 0 HD2 PHE A 36 -12.958 -1.024 17.813 1.00 1.00 H new ATOM 0 HE1 PHE A 36 -17.025 1.554 16.854 1.00 1.00 H new ATOM 0 HE2 PHE A 36 -14.228 0.085 19.659 1.00 1.00 H new ATOM 0 HZ PHE A 36 -16.246 1.360 19.158 1.00 1.00 H new ATOM 517 N ASP A 37 -11.524 2.023 14.782 1.00 1.00 N ATOM 518 CA ASP A 37 -10.836 3.028 15.573 1.00 1.00 C ATOM 519 C ASP A 37 -11.769 4.221 15.795 1.00 1.00 C ATOM 520 O ASP A 37 -11.880 5.095 14.937 1.00 1.00 O ATOM 521 CB ASP A 37 -9.585 3.535 14.854 1.00 1.00 C ATOM 522 CG ASP A 37 -8.935 4.771 15.479 1.00 1.00 C ATOM 523 OD1 ASP A 37 -8.336 4.610 16.564 1.00 1.00 O ATOM 524 OD2 ASP A 37 -9.051 5.849 14.858 1.00 1.00 O ATOM 0 H ASP A 37 -11.667 2.274 13.804 1.00 1.00 H new ATOM 0 HA ASP A 37 -10.547 2.572 16.520 1.00 1.00 H new ATOM 0 HB2 ASP A 37 -8.849 2.731 14.827 1.00 1.00 H new ATOM 0 HB3 ASP A 37 -9.846 3.764 13.821 1.00 1.00 H new ATOM 529 N SER A 38 -12.415 4.219 16.952 1.00 1.00 N ATOM 530 CA SER A 38 -13.334 5.290 17.298 1.00 1.00 C ATOM 531 C SER A 38 -12.587 6.400 18.041 1.00 1.00 C ATOM 532 O SER A 38 -13.205 7.228 18.710 1.00 1.00 O ATOM 533 CB SER A 38 -14.491 4.768 18.151 1.00 1.00 C ATOM 534 OG SER A 38 -14.963 3.502 17.694 1.00 1.00 O ATOM 0 H SER A 38 -12.320 3.493 17.662 1.00 1.00 H new ATOM 0 HA SER A 38 -13.751 5.694 16.376 1.00 1.00 H new ATOM 0 HB2 SER A 38 -14.166 4.681 19.188 1.00 1.00 H new ATOM 0 HB3 SER A 38 -15.309 5.488 18.132 1.00 1.00 H new ATOM 0 HG SER A 38 -15.912 3.406 17.918 1.00 1.00 H new ATOM 540 N GLN A 39 -11.271 6.382 17.898 1.00 1.00 N ATOM 541 CA GLN A 39 -10.433 7.378 18.546 1.00 1.00 C ATOM 542 C GLN A 39 -10.809 8.781 18.066 1.00 1.00 C ATOM 543 O GLN A 39 -10.418 9.775 18.677 1.00 1.00 O ATOM 544 CB GLN A 39 -8.951 7.092 18.300 1.00 1.00 C ATOM 545 CG GLN A 39 -8.445 5.981 19.221 1.00 1.00 C ATOM 546 CD GLN A 39 -6.997 6.236 19.645 1.00 1.00 C ATOM 547 OE1 GLN A 39 -6.107 6.412 18.829 1.00 1.00 O ATOM 548 NE2 GLN A 39 -6.813 6.244 20.962 1.00 1.00 N ATOM 0 H GLN A 39 -10.763 5.693 17.343 1.00 1.00 H new ATOM 0 HA GLN A 39 -10.605 7.325 19.621 1.00 1.00 H new ATOM 0 HB2 GLN A 39 -8.801 6.803 17.260 1.00 1.00 H new ATOM 0 HB3 GLN A 39 -8.370 7.999 18.466 1.00 1.00 H new ATOM 0 HG2 GLN A 39 -9.081 5.919 20.104 1.00 1.00 H new ATOM 0 HG3 GLN A 39 -8.514 5.021 18.710 1.00 1.00 H new ATOM 0 HE21 GLN A 39 -7.603 6.090 21.588 1.00 1.00 H new ATOM 0 HE22 GLN A 39 -5.882 6.405 21.346 1.00 1.00 H new ATOM 557 N VAL A 40 -11.563 8.817 16.977 1.00 1.00 N ATOM 558 CA VAL A 40 -11.995 10.082 16.408 1.00 1.00 C ATOM 559 C VAL A 40 -13.518 10.078 16.265 1.00 1.00 C ATOM 560 O VAL A 40 -14.088 9.152 15.688 1.00 1.00 O ATOM 561 CB VAL A 40 -11.270 10.336 15.085 1.00 1.00 C ATOM 562 CG1 VAL A 40 -11.878 11.531 14.347 1.00 1.00 C ATOM 563 CG2 VAL A 40 -9.770 10.536 15.310 1.00 1.00 C ATOM 0 H VAL A 40 -11.886 7.990 16.474 1.00 1.00 H new ATOM 0 HA VAL A 40 -11.733 10.908 17.069 1.00 1.00 H new ATOM 0 HB VAL A 40 -11.399 9.454 14.458 1.00 1.00 H new ATOM 0 HG11 VAL A 40 -11.344 11.690 13.410 1.00 1.00 H new ATOM 0 HG12 VAL A 40 -12.929 11.332 14.137 1.00 1.00 H new ATOM 0 HG13 VAL A 40 -11.794 12.423 14.968 1.00 1.00 H new ATOM 0 HG21 VAL A 40 -9.279 10.715 14.353 1.00 1.00 H new ATOM 0 HG22 VAL A 40 -9.611 11.393 15.965 1.00 1.00 H new ATOM 0 HG23 VAL A 40 -9.349 9.643 15.772 1.00 1.00 H new ATOM 573 N PRO A 41 -14.150 11.150 16.813 1.00 1.00 N ATOM 574 CA PRO A 41 -15.597 11.278 16.752 1.00 1.00 C ATOM 575 C PRO A 41 -16.052 11.683 15.349 1.00 1.00 C ATOM 576 O PRO A 41 -15.323 12.361 14.627 1.00 1.00 O ATOM 577 CB PRO A 41 -15.946 12.311 17.811 1.00 1.00 C ATOM 578 CG PRO A 41 -14.656 13.060 18.103 1.00 1.00 C ATOM 579 CD PRO A 41 -13.508 12.265 17.504 1.00 1.00 C ATOM 0 HA PRO A 41 -16.111 10.337 16.948 1.00 1.00 H new ATOM 0 HB2 PRO A 41 -16.720 12.990 17.454 1.00 1.00 H new ATOM 0 HB3 PRO A 41 -16.332 11.833 18.711 1.00 1.00 H new ATOM 0 HG2 PRO A 41 -14.691 14.062 17.674 1.00 1.00 H new ATOM 0 HG3 PRO A 41 -14.518 13.178 19.178 1.00 1.00 H new ATOM 0 HD2 PRO A 41 -12.922 12.873 16.815 1.00 1.00 H new ATOM 0 HD3 PRO A 41 -12.825 11.912 18.277 1.00 1.00 H new ATOM 587 N GLY A 42 -17.256 11.251 15.004 1.00 1.00 N ATOM 588 CA GLY A 42 -17.818 11.560 13.700 1.00 1.00 C ATOM 589 C GLY A 42 -17.214 10.665 12.617 1.00 1.00 C ATOM 590 O GLY A 42 -17.898 9.805 12.065 1.00 1.00 O ATOM 0 H GLY A 42 -17.858 10.689 15.605 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -18.900 11.427 13.725 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -17.631 12.606 13.458 1.00 1.00 H new ATOM 594 N VAL A 43 -15.939 10.898 12.344 1.00 1.00 N ATOM 595 CA VAL A 43 -15.235 10.123 11.336 1.00 1.00 C ATOM 596 C VAL A 43 -15.614 8.647 11.477 1.00 1.00 C ATOM 597 O VAL A 43 -16.168 8.240 12.496 1.00 1.00 O ATOM 598 CB VAL A 43 -13.729 10.368 11.446 1.00 1.00 C ATOM 599 CG1 VAL A 43 -13.427 11.855 11.641 1.00 1.00 C ATOM 600 CG2 VAL A 43 -13.118 9.531 12.573 1.00 1.00 C ATOM 0 H VAL A 43 -15.375 11.613 12.803 1.00 1.00 H new ATOM 0 HA VAL A 43 -15.530 10.439 10.335 1.00 1.00 H new ATOM 0 HB VAL A 43 -13.270 10.054 10.509 1.00 1.00 H new ATOM 0 HG11 VAL A 43 -12.349 12.001 11.716 1.00 1.00 H new ATOM 0 HG12 VAL A 43 -13.811 12.419 10.791 1.00 1.00 H new ATOM 0 HG13 VAL A 43 -13.905 12.207 12.555 1.00 1.00 H new ATOM 0 HG21 VAL A 43 -12.047 9.724 12.630 1.00 1.00 H new ATOM 0 HG22 VAL A 43 -13.586 9.799 13.520 1.00 1.00 H new ATOM 0 HG23 VAL A 43 -13.286 8.473 12.372 1.00 1.00 H new ATOM 610 N PRO A 44 -15.290 7.867 10.412 1.00 1.00 N ATOM 611 CA PRO A 44 -15.590 6.445 10.407 1.00 1.00 C ATOM 612 C PRO A 44 -14.621 5.677 11.308 1.00 1.00 C ATOM 613 O PRO A 44 -13.416 5.666 11.061 1.00 1.00 O ATOM 614 CB PRO A 44 -15.502 6.029 8.948 1.00 1.00 C ATOM 615 CG PRO A 44 -14.705 7.120 8.251 1.00 1.00 C ATOM 616 CD PRO A 44 -14.633 8.315 9.187 1.00 1.00 C ATOM 0 HA PRO A 44 -16.577 6.222 10.811 1.00 1.00 H new ATOM 0 HB2 PRO A 44 -15.011 5.061 8.847 1.00 1.00 H new ATOM 0 HB3 PRO A 44 -16.495 5.930 8.509 1.00 1.00 H new ATOM 0 HG2 PRO A 44 -13.704 6.765 8.008 1.00 1.00 H new ATOM 0 HG3 PRO A 44 -15.181 7.399 7.311 1.00 1.00 H new ATOM 0 HD2 PRO A 44 -13.600 8.608 9.376 1.00 1.00 H new ATOM 0 HD3 PRO A 44 -15.138 9.182 8.761 1.00 1.00 H new ATOM 624 N TRP A 45 -15.182 5.055 12.334 1.00 1.00 N ATOM 625 CA TRP A 45 -14.384 4.287 13.272 1.00 1.00 C ATOM 626 C TRP A 45 -14.057 2.940 12.624 1.00 1.00 C ATOM 627 O TRP A 45 -12.918 2.479 12.682 1.00 1.00 O ATOM 628 CB TRP A 45 -15.101 4.144 14.616 1.00 1.00 C ATOM 629 CG TRP A 45 -15.679 5.454 15.155 1.00 1.00 C ATOM 630 CD1 TRP A 45 -15.394 6.704 14.765 1.00 1.00 C ATOM 631 CD2 TRP A 45 -16.660 5.594 16.204 1.00 1.00 C ATOM 632 NE1 TRP A 45 -16.116 7.635 15.483 1.00 1.00 N ATOM 633 CE2 TRP A 45 -16.910 6.939 16.387 1.00 1.00 C ATOM 634 CE3 TRP A 45 -17.313 4.617 16.975 1.00 1.00 C ATOM 635 CZ2 TRP A 45 -17.817 7.429 17.334 1.00 1.00 C ATOM 636 CZ3 TRP A 45 -18.216 5.122 17.917 1.00 1.00 C ATOM 637 CH2 TRP A 45 -18.480 6.473 18.113 1.00 1.00 C ATOM 0 H TRP A 45 -16.182 5.068 12.536 1.00 1.00 H new ATOM 0 HA TRP A 45 -13.450 4.803 13.494 1.00 1.00 H new ATOM 0 HB2 TRP A 45 -15.908 3.419 14.510 1.00 1.00 H new ATOM 0 HB3 TRP A 45 -14.402 3.739 15.348 1.00 1.00 H new ATOM 0 HD1 TRP A 45 -14.688 6.952 13.986 1.00 1.00 H new ATOM 0 HE1 TRP A 45 -16.075 8.648 15.371 1.00 1.00 H new ATOM 0 HE3 TRP A 45 -17.132 3.560 16.850 1.00 1.00 H new ATOM 0 HZ2 TRP A 45 -17.996 8.487 17.457 1.00 1.00 H new ATOM 0 HZ3 TRP A 45 -18.745 4.412 18.536 1.00 1.00 H new ATOM 0 HH2 TRP A 45 -19.193 6.783 18.862 1.00 1.00 H new ATOM 648 N CYS A 46 -15.076 2.348 12.019 1.00 1.00 N ATOM 649 CA CYS A 46 -14.912 1.063 11.361 1.00 1.00 C ATOM 650 C CYS A 46 -14.478 1.316 9.916 1.00 1.00 C ATOM 651 O CYS A 46 -15.255 1.832 9.112 1.00 1.00 O ATOM 652 CB CYS A 46 -16.187 0.222 11.434 1.00 1.00 C ATOM 653 SG CYS A 46 -16.303 -0.870 12.898 1.00 1.00 S ATOM 0 H CYS A 46 -16.019 2.735 11.971 1.00 1.00 H new ATOM 0 HA CYS A 46 -14.144 0.484 11.875 1.00 1.00 H new ATOM 0 HB2 CYS A 46 -17.048 0.891 11.428 1.00 1.00 H new ATOM 0 HB3 CYS A 46 -16.253 -0.391 10.535 1.00 1.00 H new ATOM 658 N PHE A 47 -13.239 0.943 9.629 1.00 1.00 N ATOM 659 CA PHE A 47 -12.694 1.124 8.295 1.00 1.00 C ATOM 660 C PHE A 47 -11.804 -0.058 7.901 1.00 1.00 C ATOM 661 O PHE A 47 -11.934 -1.147 8.455 1.00 1.00 O ATOM 662 CB PHE A 47 -11.846 2.397 8.326 1.00 1.00 C ATOM 663 CG PHE A 47 -10.936 2.508 9.551 1.00 1.00 C ATOM 664 CD1 PHE A 47 -10.106 1.480 9.877 1.00 1.00 C ATOM 665 CD2 PHE A 47 -10.955 3.634 10.314 1.00 1.00 C ATOM 666 CE1 PHE A 47 -9.262 1.583 11.013 1.00 1.00 C ATOM 667 CE2 PHE A 47 -10.111 3.736 11.450 1.00 1.00 C ATOM 668 CZ PHE A 47 -9.281 2.709 11.777 1.00 1.00 C ATOM 0 H PHE A 47 -12.598 0.516 10.298 1.00 1.00 H new ATOM 0 HA PHE A 47 -13.504 1.193 7.569 1.00 1.00 H new ATOM 0 HB2 PHE A 47 -11.233 2.435 7.426 1.00 1.00 H new ATOM 0 HB3 PHE A 47 -12.507 3.263 8.298 1.00 1.00 H new ATOM 0 HD1 PHE A 47 -10.090 0.586 9.271 1.00 1.00 H new ATOM 0 HD2 PHE A 47 -11.613 4.451 10.055 1.00 1.00 H new ATOM 0 HE1 PHE A 47 -8.604 0.767 11.272 1.00 1.00 H new ATOM 0 HE2 PHE A 47 -10.128 4.630 12.056 1.00 1.00 H new ATOM 0 HZ PHE A 47 -8.638 2.787 12.641 1.00 1.00 H new ATOM 678 N LYS A 48 -10.921 0.200 6.947 1.00 1.00 N ATOM 679 CA LYS A 48 -10.010 -0.829 6.473 1.00 1.00 C ATOM 680 C LYS A 48 -8.574 -0.430 6.818 1.00 1.00 C ATOM 681 O LYS A 48 -8.195 0.731 6.665 1.00 1.00 O ATOM 682 CB LYS A 48 -10.234 -1.097 4.984 1.00 1.00 C ATOM 683 CG LYS A 48 -10.837 0.127 4.290 1.00 1.00 C ATOM 684 CD LYS A 48 -12.252 0.404 4.801 1.00 1.00 C ATOM 685 CE LYS A 48 -13.270 0.327 3.661 1.00 1.00 C ATOM 686 NZ LYS A 48 -12.723 0.947 2.434 1.00 1.00 N ATOM 0 H LYS A 48 -10.817 1.106 6.490 1.00 1.00 H new ATOM 0 HA LYS A 48 -10.207 -1.775 6.976 1.00 1.00 H new ATOM 0 HB2 LYS A 48 -9.287 -1.357 4.511 1.00 1.00 H new ATOM 0 HB3 LYS A 48 -10.898 -1.953 4.861 1.00 1.00 H new ATOM 0 HG2 LYS A 48 -10.206 0.998 4.467 1.00 1.00 H new ATOM 0 HG3 LYS A 48 -10.861 -0.036 3.213 1.00 1.00 H new ATOM 0 HD2 LYS A 48 -12.511 -0.319 5.575 1.00 1.00 H new ATOM 0 HD3 LYS A 48 -12.290 1.391 5.261 1.00 1.00 H new ATOM 0 HE2 LYS A 48 -13.528 -0.714 3.466 1.00 1.00 H new ATOM 0 HE3 LYS A 48 -14.190 0.834 3.952 1.00 1.00 H new ATOM 0 HZ1 LYS A 48 -13.439 1.572 2.012 1.00 1.00 H new ATOM 0 HZ2 LYS A 48 -11.877 1.502 2.673 1.00 1.00 H new ATOM 0 HZ3 LYS A 48 -12.468 0.203 1.753 1.00 1.00 H new ATOM 700 N PRO A 49 -7.794 -1.440 7.288 1.00 1.00 N ATOM 701 CA PRO A 49 -6.408 -1.206 7.655 1.00 1.00 C ATOM 702 C PRO A 49 -5.528 -1.060 6.411 1.00 1.00 C ATOM 703 O PRO A 49 -6.034 -1.017 5.291 1.00 1.00 O ATOM 704 CB PRO A 49 -6.023 -2.398 8.517 1.00 1.00 C ATOM 705 CG PRO A 49 -7.052 -3.477 8.220 1.00 1.00 C ATOM 706 CD PRO A 49 -8.210 -2.826 7.481 1.00 1.00 C ATOM 0 HA PRO A 49 -6.270 -0.273 8.202 1.00 1.00 H new ATOM 0 HB2 PRO A 49 -5.016 -2.742 8.280 1.00 1.00 H new ATOM 0 HB3 PRO A 49 -6.029 -2.133 9.574 1.00 1.00 H new ATOM 0 HG2 PRO A 49 -6.611 -4.269 7.616 1.00 1.00 H new ATOM 0 HG3 PRO A 49 -7.400 -3.938 9.145 1.00 1.00 H new ATOM 0 HD2 PRO A 49 -8.399 -3.319 6.527 1.00 1.00 H new ATOM 0 HD3 PRO A 49 -9.132 -2.886 8.059 1.00 1.00 H new ATOM 714 N LEU A 50 -4.227 -0.987 6.651 1.00 1.00 N ATOM 715 CA LEU A 50 -3.273 -0.846 5.564 1.00 1.00 C ATOM 716 C LEU A 50 -2.140 -1.856 5.754 1.00 1.00 C ATOM 717 O LEU A 50 -0.990 -1.472 5.960 1.00 1.00 O ATOM 718 CB LEU A 50 -2.794 0.604 5.457 1.00 1.00 C ATOM 719 CG LEU A 50 -2.683 1.373 6.775 1.00 1.00 C ATOM 720 CD1 LEU A 50 -1.281 1.242 7.371 1.00 1.00 C ATOM 721 CD2 LEU A 50 -3.094 2.835 6.592 1.00 1.00 C ATOM 0 H LEU A 50 -3.811 -1.023 7.582 1.00 1.00 H new ATOM 0 HA LEU A 50 -3.746 -1.072 4.608 1.00 1.00 H new ATOM 0 HB2 LEU A 50 -1.817 0.608 4.974 1.00 1.00 H new ATOM 0 HB3 LEU A 50 -3.477 1.144 4.801 1.00 1.00 H new ATOM 0 HG LEU A 50 -3.378 0.930 7.488 1.00 1.00 H new ATOM 0 HD11 LEU A 50 -1.230 1.798 8.307 1.00 1.00 H new ATOM 0 HD12 LEU A 50 -1.063 0.191 7.561 1.00 1.00 H new ATOM 0 HD13 LEU A 50 -0.549 1.643 6.670 1.00 1.00 H new ATOM 0 HD21 LEU A 50 -3.006 3.359 7.543 1.00 1.00 H new ATOM 0 HD22 LEU A 50 -2.443 3.307 5.856 1.00 1.00 H new ATOM 0 HD23 LEU A 50 -4.126 2.882 6.246 1.00 1.00 H new ATOM 733 N PRO A 51 -2.514 -3.161 5.673 1.00 1.00 N ATOM 734 CA PRO A 51 -1.543 -4.229 5.832 1.00 1.00 C ATOM 735 C PRO A 51 -0.669 -4.367 4.583 1.00 1.00 C ATOM 736 O PRO A 51 -1.147 -4.190 3.464 1.00 1.00 O ATOM 737 CB PRO A 51 -2.367 -5.473 6.119 1.00 1.00 C ATOM 738 CG PRO A 51 -3.779 -5.153 5.652 1.00 1.00 C ATOM 739 CD PRO A 51 -3.867 -3.653 5.428 1.00 1.00 C ATOM 0 HA PRO A 51 -0.839 -4.038 6.642 1.00 1.00 H new ATOM 0 HB2 PRO A 51 -1.967 -6.338 5.590 1.00 1.00 H new ATOM 0 HB3 PRO A 51 -2.352 -5.715 7.182 1.00 1.00 H new ATOM 0 HG2 PRO A 51 -4.008 -5.690 4.732 1.00 1.00 H new ATOM 0 HG3 PRO A 51 -4.509 -5.471 6.397 1.00 1.00 H new ATOM 0 HD2 PRO A 51 -4.194 -3.423 4.414 1.00 1.00 H new ATOM 0 HD3 PRO A 51 -4.585 -3.193 6.107 1.00 1.00 H new ATOM 747 N ALA A 52 0.597 -4.681 4.817 1.00 1.00 N ATOM 748 CA ALA A 52 1.541 -4.844 3.725 1.00 1.00 C ATOM 749 C ALA A 52 2.935 -5.108 4.297 1.00 1.00 C ATOM 750 O ALA A 52 3.911 -4.486 3.878 1.00 1.00 O ATOM 751 CB ALA A 52 1.504 -3.605 2.829 1.00 1.00 C ATOM 0 H ALA A 52 0.991 -4.827 5.747 1.00 1.00 H new ATOM 0 HA ALA A 52 1.270 -5.701 3.108 1.00 1.00 H new ATOM 0 HB1 ALA A 52 2.212 -3.727 2.010 1.00 1.00 H new ATOM 0 HB2 ALA A 52 0.500 -3.478 2.425 1.00 1.00 H new ATOM 0 HB3 ALA A 52 1.774 -2.725 3.413 1.00 1.00 H new ATOM 757 N GLN A 53 2.986 -6.032 5.246 1.00 1.00 N ATOM 758 CA GLN A 53 4.244 -6.386 5.880 1.00 1.00 C ATOM 759 C GLN A 53 4.127 -7.748 6.568 1.00 1.00 C ATOM 760 O GLN A 53 3.100 -8.056 7.172 1.00 1.00 O ATOM 761 CB GLN A 53 4.680 -5.306 6.872 1.00 1.00 C ATOM 762 CG GLN A 53 5.204 -4.068 6.142 1.00 1.00 C ATOM 763 CD GLN A 53 6.175 -3.281 7.024 1.00 1.00 C ATOM 764 OE1 GLN A 53 7.286 -3.945 7.333 1.00 1.00 O flip ATOM 765 NE2 GLN A 53 5.932 -2.146 7.399 1.00 1.00 N flip ATOM 0 H GLN A 53 2.175 -6.546 5.591 1.00 1.00 H new ATOM 0 HA GLN A 53 5.011 -6.456 5.109 1.00 1.00 H new ATOM 0 HB2 GLN A 53 3.838 -5.029 7.506 1.00 1.00 H new ATOM 0 HB3 GLN A 53 5.456 -5.701 7.527 1.00 1.00 H new ATOM 0 HG2 GLN A 53 5.705 -4.369 5.222 1.00 1.00 H new ATOM 0 HG3 GLN A 53 4.368 -3.430 5.856 1.00 1.00 H new ATOM 0 HE21 GLN A 53 5.059 -1.694 7.125 1.00 1.00 H new ATOM 0 HE22 GLN A 53 6.601 -1.649 7.986 1.00 1.00 H new ATOM 774 N GLU A 54 5.193 -8.526 6.452 1.00 1.00 N ATOM 775 CA GLU A 54 5.223 -9.848 7.055 1.00 1.00 C ATOM 776 C GLU A 54 5.636 -9.752 8.524 1.00 1.00 C ATOM 777 O GLU A 54 6.557 -10.442 8.961 1.00 1.00 O ATOM 778 CB GLU A 54 6.157 -10.782 6.282 1.00 1.00 C ATOM 779 CG GLU A 54 5.861 -10.736 4.782 1.00 1.00 C ATOM 780 CD GLU A 54 6.288 -12.036 4.099 1.00 1.00 C ATOM 781 OE1 GLU A 54 6.267 -13.075 4.793 1.00 1.00 O ATOM 782 OE2 GLU A 54 6.624 -11.961 2.897 1.00 1.00 O ATOM 0 H GLU A 54 6.042 -8.267 5.950 1.00 1.00 H new ATOM 0 HA GLU A 54 4.219 -10.271 7.007 1.00 1.00 H new ATOM 0 HB2 GLU A 54 7.193 -10.495 6.461 1.00 1.00 H new ATOM 0 HB3 GLU A 54 6.041 -11.802 6.648 1.00 1.00 H new ATOM 0 HG2 GLU A 54 4.795 -10.570 4.623 1.00 1.00 H new ATOM 0 HG3 GLU A 54 6.385 -9.894 4.330 1.00 1.00 H new ATOM 789 N SER A 55 4.936 -8.891 9.247 1.00 1.00 N ATOM 790 CA SER A 55 5.219 -8.696 10.660 1.00 1.00 C ATOM 791 C SER A 55 4.066 -7.941 11.325 1.00 1.00 C ATOM 792 O SER A 55 2.962 -7.884 10.785 1.00 1.00 O ATOM 793 CB SER A 55 6.534 -7.938 10.859 1.00 1.00 C ATOM 794 OG SER A 55 7.582 -8.470 10.054 1.00 1.00 O ATOM 0 H SER A 55 4.174 -8.320 8.882 1.00 1.00 H new ATOM 0 HA SER A 55 5.321 -9.676 11.127 1.00 1.00 H new ATOM 0 HB2 SER A 55 6.387 -6.886 10.614 1.00 1.00 H new ATOM 0 HB3 SER A 55 6.824 -7.984 11.909 1.00 1.00 H new ATOM 0 HG SER A 55 7.462 -9.438 9.958 1.00 1.00 H new ATOM 800 N GLU A 56 4.361 -7.381 12.488 1.00 1.00 N ATOM 801 CA GLU A 56 3.363 -6.631 13.233 1.00 1.00 C ATOM 802 C GLU A 56 4.040 -5.621 14.160 1.00 1.00 C ATOM 803 O GLU A 56 3.962 -5.742 15.381 1.00 1.00 O ATOM 804 CB GLU A 56 2.449 -7.571 14.021 1.00 1.00 C ATOM 805 CG GLU A 56 1.087 -7.713 13.338 1.00 1.00 C ATOM 806 CD GLU A 56 0.046 -8.286 14.302 1.00 1.00 C ATOM 807 OE1 GLU A 56 0.013 -7.804 15.455 1.00 1.00 O ATOM 808 OE2 GLU A 56 -0.693 -9.193 13.864 1.00 1.00 O ATOM 0 H GLU A 56 5.277 -7.431 12.934 1.00 1.00 H new ATOM 0 HA GLU A 56 2.743 -6.083 12.523 1.00 1.00 H new ATOM 0 HB2 GLU A 56 2.919 -8.550 14.110 1.00 1.00 H new ATOM 0 HB3 GLU A 56 2.314 -7.189 15.033 1.00 1.00 H new ATOM 0 HG2 GLU A 56 0.755 -6.740 12.975 1.00 1.00 H new ATOM 0 HG3 GLU A 56 1.179 -8.363 12.468 1.00 1.00 H new ATOM 815 N GLU A 57 4.691 -4.644 13.544 1.00 1.00 N ATOM 816 CA GLU A 57 5.382 -3.612 14.298 1.00 1.00 C ATOM 817 C GLU A 57 5.987 -2.576 13.349 1.00 1.00 C ATOM 818 O GLU A 57 6.058 -1.393 13.680 1.00 1.00 O ATOM 819 CB GLU A 57 6.456 -4.220 15.202 1.00 1.00 C ATOM 820 CG GLU A 57 7.082 -5.457 14.555 1.00 1.00 C ATOM 821 CD GLU A 57 8.216 -6.014 15.420 1.00 1.00 C ATOM 822 OE1 GLU A 57 8.971 -5.183 15.969 1.00 1.00 O ATOM 823 OE2 GLU A 57 8.300 -7.258 15.512 1.00 1.00 O ATOM 0 H GLU A 57 4.754 -4.546 12.531 1.00 1.00 H new ATOM 0 HA GLU A 57 4.656 -3.110 14.938 1.00 1.00 H new ATOM 0 HB2 GLU A 57 7.230 -3.479 15.402 1.00 1.00 H new ATOM 0 HB3 GLU A 57 6.017 -4.490 16.163 1.00 1.00 H new ATOM 0 HG2 GLU A 57 6.319 -6.222 14.412 1.00 1.00 H new ATOM 0 HG3 GLU A 57 7.465 -5.201 13.567 1.00 1.00 H new ATOM 830 N CYS A 58 6.408 -3.057 12.189 1.00 1.00 N ATOM 831 CA CYS A 58 7.005 -2.188 11.189 1.00 1.00 C ATOM 832 C CYS A 58 5.878 -1.540 10.382 1.00 1.00 C ATOM 833 O CYS A 58 6.134 -0.838 9.405 1.00 1.00 O ATOM 834 CB CYS A 58 7.987 -2.945 10.294 1.00 1.00 C ATOM 835 SG CYS A 58 9.399 -3.707 11.175 1.00 1.00 S ATOM 0 H CYS A 58 6.348 -4.039 11.919 1.00 1.00 H new ATOM 0 HA CYS A 58 7.591 -1.412 11.681 1.00 1.00 H new ATOM 0 HB2 CYS A 58 7.444 -3.727 9.763 1.00 1.00 H new ATOM 0 HB3 CYS A 58 8.374 -2.258 9.542 1.00 1.00 H new ATOM 840 N VAL A 59 4.655 -1.800 10.820 1.00 1.00 N ATOM 841 CA VAL A 59 3.488 -1.251 10.149 1.00 1.00 C ATOM 842 C VAL A 59 3.189 0.140 10.711 1.00 1.00 C ATOM 843 O VAL A 59 3.197 0.337 11.926 1.00 1.00 O ATOM 844 CB VAL A 59 2.308 -2.216 10.280 1.00 1.00 C ATOM 845 CG1 VAL A 59 1.306 -2.014 9.141 1.00 1.00 C ATOM 846 CG2 VAL A 59 2.788 -3.667 10.337 1.00 1.00 C ATOM 0 H VAL A 59 4.446 -2.383 11.631 1.00 1.00 H new ATOM 0 HA VAL A 59 3.679 -1.135 9.082 1.00 1.00 H new ATOM 0 HB VAL A 59 1.799 -1.996 11.218 1.00 1.00 H new ATOM 0 HG11 VAL A 59 0.477 -2.712 9.258 1.00 1.00 H new ATOM 0 HG12 VAL A 59 0.927 -0.992 9.167 1.00 1.00 H new ATOM 0 HG13 VAL A 59 1.800 -2.193 8.186 1.00 1.00 H new ATOM 0 HG21 VAL A 59 1.929 -4.331 10.430 1.00 1.00 H new ATOM 0 HG22 VAL A 59 3.334 -3.906 9.424 1.00 1.00 H new ATOM 0 HG23 VAL A 59 3.444 -3.800 11.197 1.00 1.00 H new ATOM 856 N MET A 60 2.935 1.069 9.802 1.00 1.00 N ATOM 857 CA MET A 60 2.634 2.436 10.193 1.00 1.00 C ATOM 858 C MET A 60 2.397 3.317 8.964 1.00 1.00 C ATOM 859 O MET A 60 2.488 2.847 7.831 1.00 1.00 O ATOM 860 CB MET A 60 3.796 3.001 11.010 1.00 1.00 C ATOM 861 CG MET A 60 5.045 3.171 10.142 1.00 1.00 C ATOM 862 SD MET A 60 6.373 3.865 11.113 1.00 1.00 S ATOM 863 CE MET A 60 7.615 2.605 10.883 1.00 1.00 C ATOM 0 H MET A 60 2.931 0.902 8.796 1.00 1.00 H new ATOM 0 HA MET A 60 1.725 2.431 10.794 1.00 1.00 H new ATOM 0 HB2 MET A 60 3.512 3.963 11.437 1.00 1.00 H new ATOM 0 HB3 MET A 60 4.016 2.335 11.844 1.00 1.00 H new ATOM 0 HG2 MET A 60 5.348 2.207 9.733 1.00 1.00 H new ATOM 0 HG3 MET A 60 4.824 3.821 9.296 1.00 1.00 H new ATOM 0 HE1 MET A 60 8.592 3.003 11.158 1.00 1.00 H new ATOM 0 HE2 MET A 60 7.383 1.746 11.512 1.00 1.00 H new ATOM 0 HE3 MET A 60 7.630 2.296 9.838 1.00 1.00 H new ATOM 873 N GLN A 61 2.098 4.580 9.230 1.00 1.00 N ATOM 874 CA GLN A 61 1.847 5.532 8.162 1.00 1.00 C ATOM 875 C GLN A 61 3.168 6.000 7.548 1.00 1.00 C ATOM 876 O GLN A 61 4.189 6.058 8.232 1.00 1.00 O ATOM 877 CB GLN A 61 1.025 6.719 8.665 1.00 1.00 C ATOM 878 CG GLN A 61 -0.474 6.454 8.506 1.00 1.00 C ATOM 879 CD GLN A 61 -1.140 7.559 7.683 1.00 1.00 C ATOM 880 OE1 GLN A 61 -2.149 8.129 8.063 1.00 1.00 O ATOM 881 NE2 GLN A 61 -0.522 7.827 6.536 1.00 1.00 N ATOM 0 H GLN A 61 2.024 4.966 10.171 1.00 1.00 H new ATOM 0 HA GLN A 61 1.264 5.033 7.387 1.00 1.00 H new ATOM 0 HB2 GLN A 61 1.256 6.907 9.714 1.00 1.00 H new ATOM 0 HB3 GLN A 61 1.300 7.617 8.112 1.00 1.00 H new ATOM 0 HG2 GLN A 61 -0.627 5.490 8.020 1.00 1.00 H new ATOM 0 HG3 GLN A 61 -0.943 6.394 9.488 1.00 1.00 H new ATOM 0 HE21 GLN A 61 0.320 7.312 6.278 1.00 1.00 H new ATOM 0 HE22 GLN A 61 -0.890 8.548 5.915 1.00 1.00 H new ATOM 890 N VAL A 62 3.106 6.323 6.265 1.00 1.00 N ATOM 891 CA VAL A 62 4.285 6.785 5.551 1.00 1.00 C ATOM 892 C VAL A 62 5.051 7.776 6.429 1.00 1.00 C ATOM 893 O VAL A 62 6.224 7.564 6.733 1.00 1.00 O ATOM 894 CB VAL A 62 3.880 7.372 4.197 1.00 1.00 C ATOM 895 CG1 VAL A 62 4.044 6.339 3.080 1.00 1.00 C ATOM 896 CG2 VAL A 62 2.450 7.912 4.239 1.00 1.00 C ATOM 0 H VAL A 62 2.258 6.274 5.701 1.00 1.00 H new ATOM 0 HA VAL A 62 4.956 5.952 5.340 1.00 1.00 H new ATOM 0 HB VAL A 62 4.547 8.207 3.981 1.00 1.00 H new ATOM 0 HG11 VAL A 62 3.749 6.782 2.129 1.00 1.00 H new ATOM 0 HG12 VAL A 62 5.086 6.024 3.026 1.00 1.00 H new ATOM 0 HG13 VAL A 62 3.414 5.475 3.288 1.00 1.00 H new ATOM 0 HG21 VAL A 62 2.188 8.323 3.264 1.00 1.00 H new ATOM 0 HG22 VAL A 62 1.763 7.103 4.489 1.00 1.00 H new ATOM 0 HG23 VAL A 62 2.379 8.695 4.994 1.00 1.00 H new ATOM 906 N SER A 63 4.356 8.838 6.811 1.00 1.00 N ATOM 907 CA SER A 63 4.956 9.863 7.648 1.00 1.00 C ATOM 908 C SER A 63 5.644 9.218 8.853 1.00 1.00 C ATOM 909 O SER A 63 6.640 9.737 9.355 1.00 1.00 O ATOM 910 CB SER A 63 3.910 10.877 8.113 1.00 1.00 C ATOM 911 OG SER A 63 2.684 10.248 8.479 1.00 1.00 O ATOM 0 H SER A 63 3.384 9.010 6.556 1.00 1.00 H new ATOM 0 HA SER A 63 5.700 10.396 7.056 1.00 1.00 H new ATOM 0 HB2 SER A 63 4.299 11.436 8.964 1.00 1.00 H new ATOM 0 HB3 SER A 63 3.724 11.598 7.317 1.00 1.00 H new ATOM 0 HG SER A 63 2.042 10.928 8.772 1.00 1.00 H new ATOM 917 N ALA A 64 5.084 8.098 9.284 1.00 1.00 N ATOM 918 CA ALA A 64 5.631 7.377 10.421 1.00 1.00 C ATOM 919 C ALA A 64 6.995 6.797 10.044 1.00 1.00 C ATOM 920 O ALA A 64 7.718 6.292 10.901 1.00 1.00 O ATOM 921 CB ALA A 64 4.640 6.298 10.866 1.00 1.00 C ATOM 0 H ALA A 64 4.257 7.672 8.866 1.00 1.00 H new ATOM 0 HA ALA A 64 5.782 8.049 11.266 1.00 1.00 H new ATOM 0 HB1 ALA A 64 5.050 5.757 11.719 1.00 1.00 H new ATOM 0 HB2 ALA A 64 3.697 6.765 11.152 1.00 1.00 H new ATOM 0 HB3 ALA A 64 4.466 5.603 10.045 1.00 1.00 H new ATOM 927 N ARG A 65 7.305 6.886 8.758 1.00 1.00 N ATOM 928 CA ARG A 65 8.570 6.375 8.258 1.00 1.00 C ATOM 929 C ARG A 65 9.725 7.254 8.738 1.00 1.00 C ATOM 930 O ARG A 65 9.503 8.311 9.326 1.00 1.00 O ATOM 931 CB ARG A 65 8.577 6.327 6.727 1.00 1.00 C ATOM 932 CG ARG A 65 8.734 7.729 6.136 1.00 1.00 C ATOM 933 CD ARG A 65 7.871 7.897 4.885 1.00 1.00 C ATOM 934 NE ARG A 65 7.138 9.181 4.942 1.00 1.00 N ATOM 935 CZ ARG A 65 7.730 10.380 5.028 1.00 1.00 C ATOM 936 NH1 ARG A 65 9.067 10.467 5.064 1.00 1.00 N ATOM 937 NH2 ARG A 65 6.985 11.493 5.076 1.00 1.00 N ATOM 0 H ARG A 65 6.703 7.304 8.049 1.00 1.00 H new ATOM 0 HA ARG A 65 8.695 5.363 8.644 1.00 1.00 H new ATOM 0 HB2 ARG A 65 9.392 5.690 6.383 1.00 1.00 H new ATOM 0 HB3 ARG A 65 7.650 5.879 6.369 1.00 1.00 H new ATOM 0 HG2 ARG A 65 8.452 8.474 6.879 1.00 1.00 H new ATOM 0 HG3 ARG A 65 9.780 7.907 5.887 1.00 1.00 H new ATOM 0 HD2 ARG A 65 8.498 7.867 3.994 1.00 1.00 H new ATOM 0 HD3 ARG A 65 7.166 7.070 4.806 1.00 1.00 H new ATOM 0 HE ARG A 65 6.119 9.152 4.914 1.00 1.00 H new ATOM 0 HH11 ARG A 65 9.634 9.620 5.026 1.00 1.00 H new ATOM 0 HH12 ARG A 65 9.517 11.380 5.129 1.00 1.00 H new ATOM 0 HH21 ARG A 65 5.968 11.427 5.047 1.00 1.00 H new ATOM 0 HH22 ARG A 65 7.435 12.406 5.141 1.00 1.00 H new ATOM 951 N LYS A 66 10.936 6.786 8.470 1.00 1.00 N ATOM 952 CA LYS A 66 12.127 7.517 8.868 1.00 1.00 C ATOM 953 C LYS A 66 13.358 6.846 8.258 1.00 1.00 C ATOM 954 O LYS A 66 13.808 5.808 8.742 1.00 1.00 O ATOM 955 CB LYS A 66 12.189 7.650 10.391 1.00 1.00 C ATOM 956 CG LYS A 66 11.740 6.357 11.073 1.00 1.00 C ATOM 957 CD LYS A 66 10.350 6.518 11.692 1.00 1.00 C ATOM 958 CE LYS A 66 10.442 6.681 13.211 1.00 1.00 C ATOM 959 NZ LYS A 66 11.136 7.942 13.555 1.00 1.00 N ATOM 0 H LYS A 66 11.118 5.909 7.982 1.00 1.00 H new ATOM 0 HA LYS A 66 12.096 8.536 8.483 1.00 1.00 H new ATOM 0 HB2 LYS A 66 13.207 7.892 10.697 1.00 1.00 H new ATOM 0 HB3 LYS A 66 11.554 8.475 10.714 1.00 1.00 H new ATOM 0 HG2 LYS A 66 11.727 5.544 10.347 1.00 1.00 H new ATOM 0 HG3 LYS A 66 12.457 6.082 11.847 1.00 1.00 H new ATOM 0 HD2 LYS A 66 9.853 7.386 11.259 1.00 1.00 H new ATOM 0 HD3 LYS A 66 9.738 5.648 11.452 1.00 1.00 H new ATOM 0 HE2 LYS A 66 9.442 6.679 13.644 1.00 1.00 H new ATOM 0 HE3 LYS A 66 10.977 5.835 13.642 1.00 1.00 H new ATOM 0 HZ1 LYS A 66 11.130 8.071 14.587 1.00 1.00 H new ATOM 0 HZ2 LYS A 66 12.119 7.901 13.216 1.00 1.00 H new ATOM 0 HZ3 LYS A 66 10.647 8.741 13.104 1.00 1.00 H new ATOM 973 N ASN A 67 13.871 7.466 7.205 1.00 1.00 N ATOM 974 CA ASN A 67 15.042 6.942 6.524 1.00 1.00 C ATOM 975 C ASN A 67 16.009 6.359 7.556 1.00 1.00 C ATOM 976 O ASN A 67 16.465 7.065 8.453 1.00 1.00 O ATOM 977 CB ASN A 67 15.776 8.047 5.760 1.00 1.00 C ATOM 978 CG ASN A 67 16.143 9.205 6.691 1.00 1.00 C ATOM 979 OD1 ASN A 67 15.302 9.803 7.342 1.00 1.00 O ATOM 980 ND2 ASN A 67 17.442 9.487 6.716 1.00 1.00 N ATOM 0 H ASN A 67 13.496 8.327 6.807 1.00 1.00 H new ATOM 0 HA ASN A 67 14.709 6.178 5.822 1.00 1.00 H new ATOM 0 HB2 ASN A 67 16.679 7.641 5.305 1.00 1.00 H new ATOM 0 HB3 ASN A 67 15.147 8.413 4.949 1.00 1.00 H new ATOM 0 HD21 ASN A 67 17.788 10.244 7.305 1.00 1.00 H new ATOM 0 HD22 ASN A 67 18.092 8.946 6.146 1.00 1.00 H new ATOM 987 N CYS A 68 16.292 5.074 7.395 1.00 1.00 N ATOM 988 CA CYS A 68 17.196 4.388 8.302 1.00 1.00 C ATOM 989 C CYS A 68 18.270 3.685 7.470 1.00 1.00 C ATOM 990 O CYS A 68 19.195 3.089 8.019 1.00 1.00 O ATOM 991 CB CYS A 68 16.450 3.411 9.213 1.00 1.00 C ATOM 992 SG CYS A 68 17.516 2.460 10.356 1.00 1.00 S ATOM 0 H CYS A 68 15.911 4.491 6.650 1.00 1.00 H new ATOM 0 HA CYS A 68 17.668 5.113 8.965 1.00 1.00 H new ATOM 0 HB2 CYS A 68 15.720 3.969 9.799 1.00 1.00 H new ATOM 0 HB3 CYS A 68 15.892 2.711 8.591 1.00 1.00 H new ATOM 997 N GLY A 69 18.111 3.778 6.158 1.00 1.00 N ATOM 998 CA GLY A 69 19.056 3.159 5.244 1.00 1.00 C ATOM 999 C GLY A 69 19.037 3.855 3.881 1.00 1.00 C ATOM 1000 O GLY A 69 18.676 5.027 3.783 1.00 1.00 O ATOM 0 H GLY A 69 17.342 4.273 5.706 1.00 1.00 H new ATOM 0 HA2 GLY A 69 20.060 3.206 5.666 1.00 1.00 H new ATOM 0 HA3 GLY A 69 18.811 2.104 5.121 1.00 1.00 H new ATOM 1004 N TYR A 70 19.432 3.104 2.864 1.00 1.00 N ATOM 1005 CA TYR A 70 19.466 3.635 1.511 1.00 1.00 C ATOM 1006 C TYR A 70 18.601 2.793 0.570 1.00 1.00 C ATOM 1007 O TYR A 70 18.292 1.640 0.869 1.00 1.00 O ATOM 1008 CB TYR A 70 20.925 3.545 1.059 1.00 1.00 C ATOM 1009 CG TYR A 70 21.738 2.474 1.790 1.00 1.00 C ATOM 1010 CD1 TYR A 70 21.951 2.578 3.149 1.00 1.00 C ATOM 1011 CD2 TYR A 70 22.259 1.405 1.089 1.00 1.00 C ATOM 1012 CE1 TYR A 70 22.717 1.571 3.838 1.00 1.00 C ATOM 1013 CE2 TYR A 70 23.024 0.398 1.778 1.00 1.00 C ATOM 1014 CZ TYR A 70 23.215 0.531 3.118 1.00 1.00 C ATOM 1015 OH TYR A 70 23.938 -0.421 3.766 1.00 1.00 O ATOM 0 H TYR A 70 19.731 2.133 2.949 1.00 1.00 H new ATOM 0 HA TYR A 70 19.084 4.656 1.490 1.00 1.00 H new ATOM 0 HB2 TYR A 70 20.951 3.339 -0.011 1.00 1.00 H new ATOM 0 HB3 TYR A 70 21.402 4.514 1.209 1.00 1.00 H new ATOM 0 HD1 TYR A 70 21.543 3.415 3.697 1.00 1.00 H new ATOM 0 HD2 TYR A 70 22.093 1.324 0.025 1.00 1.00 H new ATOM 0 HE1 TYR A 70 22.891 1.641 4.902 1.00 1.00 H new ATOM 0 HE2 TYR A 70 23.437 -0.444 1.243 1.00 1.00 H new ATOM 0 HH TYR A 70 24.229 -1.103 3.125 1.00 1.00 H new ATOM 1025 N PRO A 71 18.225 3.417 -0.577 1.00 1.00 N ATOM 1026 CA PRO A 71 17.401 2.739 -1.563 1.00 1.00 C ATOM 1027 C PRO A 71 18.220 1.713 -2.350 1.00 1.00 C ATOM 1028 O PRO A 71 17.679 0.988 -3.183 1.00 1.00 O ATOM 1029 CB PRO A 71 16.840 3.848 -2.438 1.00 1.00 C ATOM 1030 CG PRO A 71 17.732 5.056 -2.202 1.00 1.00 C ATOM 1031 CD PRO A 71 18.571 4.781 -0.965 1.00 1.00 C ATOM 0 HA PRO A 71 16.595 2.161 -1.111 1.00 1.00 H new ATOM 0 HB2 PRO A 71 16.846 3.557 -3.489 1.00 1.00 H new ATOM 0 HB3 PRO A 71 15.806 4.069 -2.174 1.00 1.00 H new ATOM 0 HG2 PRO A 71 18.372 5.232 -3.066 1.00 1.00 H new ATOM 0 HG3 PRO A 71 17.130 5.954 -2.063 1.00 1.00 H new ATOM 0 HD2 PRO A 71 19.636 4.873 -1.180 1.00 1.00 H new ATOM 0 HD3 PRO A 71 18.344 5.489 -0.168 1.00 1.00 H new ATOM 1039 N GLY A 72 19.513 1.686 -2.057 1.00 1.00 N ATOM 1040 CA GLY A 72 20.412 0.762 -2.726 1.00 1.00 C ATOM 1041 C GLY A 72 20.678 -0.469 -1.859 1.00 1.00 C ATOM 1042 O GLY A 72 21.358 -1.400 -2.287 1.00 1.00 O ATOM 0 H GLY A 72 19.958 2.289 -1.366 1.00 1.00 H new ATOM 0 HA2 GLY A 72 19.980 0.454 -3.678 1.00 1.00 H new ATOM 0 HA3 GLY A 72 21.353 1.263 -2.950 1.00 1.00 H new ATOM 1046 N ILE A 73 20.128 -0.434 -0.653 1.00 1.00 N ATOM 1047 CA ILE A 73 20.298 -1.536 0.279 1.00 1.00 C ATOM 1048 C ILE A 73 19.304 -2.648 -0.065 1.00 1.00 C ATOM 1049 O ILE A 73 18.360 -2.428 -0.823 1.00 1.00 O ATOM 1050 CB ILE A 73 20.188 -1.039 1.722 1.00 1.00 C ATOM 1051 CG1 ILE A 73 21.052 -1.884 2.659 1.00 1.00 C ATOM 1052 CG2 ILE A 73 18.729 -0.989 2.175 1.00 1.00 C ATOM 1053 CD1 ILE A 73 20.629 -1.691 4.118 1.00 1.00 C ATOM 0 H ILE A 73 19.565 0.340 -0.300 1.00 1.00 H new ATOM 0 HA ILE A 73 21.297 -1.961 0.187 1.00 1.00 H new ATOM 0 HB ILE A 73 20.571 -0.019 1.763 1.00 1.00 H new ATOM 0 HG12 ILE A 73 20.967 -2.936 2.388 1.00 1.00 H new ATOM 0 HG13 ILE A 73 22.100 -1.608 2.541 1.00 1.00 H new ATOM 0 HG21 ILE A 73 18.679 -0.633 3.204 1.00 1.00 H new ATOM 0 HG22 ILE A 73 18.170 -0.312 1.529 1.00 1.00 H new ATOM 0 HG23 ILE A 73 18.295 -1.987 2.116 1.00 1.00 H new ATOM 0 HD11 ILE A 73 21.259 -2.303 4.763 1.00 1.00 H new ATOM 0 HD12 ILE A 73 20.738 -0.642 4.393 1.00 1.00 H new ATOM 0 HD13 ILE A 73 19.588 -1.991 4.238 1.00 1.00 H new ATOM 1065 N SER A 74 19.551 -3.816 0.507 1.00 1.00 N ATOM 1066 CA SER A 74 18.690 -4.963 0.271 1.00 1.00 C ATOM 1067 C SER A 74 17.631 -5.058 1.371 1.00 1.00 C ATOM 1068 O SER A 74 17.648 -4.279 2.322 1.00 1.00 O ATOM 1069 CB SER A 74 19.503 -6.257 0.202 1.00 1.00 C ATOM 1070 OG SER A 74 20.905 -6.006 0.167 1.00 1.00 O ATOM 0 H SER A 74 20.336 -3.994 1.134 1.00 1.00 H new ATOM 0 HA SER A 74 18.194 -4.826 -0.690 1.00 1.00 H new ATOM 0 HB2 SER A 74 19.268 -6.879 1.065 1.00 1.00 H new ATOM 0 HB3 SER A 74 19.213 -6.820 -0.685 1.00 1.00 H new ATOM 0 HG SER A 74 21.368 -6.786 -0.204 1.00 1.00 H new ATOM 1076 N PRO A 75 16.711 -6.045 1.199 1.00 1.00 N ATOM 1077 CA PRO A 75 15.647 -6.251 2.166 1.00 1.00 C ATOM 1078 C PRO A 75 16.180 -6.921 3.435 1.00 1.00 C ATOM 1079 O PRO A 75 16.622 -6.244 4.360 1.00 1.00 O ATOM 1080 CB PRO A 75 14.613 -7.095 1.438 1.00 1.00 C ATOM 1081 CG PRO A 75 15.339 -7.718 0.257 1.00 1.00 C ATOM 1082 CD PRO A 75 16.660 -6.986 0.084 1.00 1.00 C ATOM 0 HA PRO A 75 15.207 -5.316 2.513 1.00 1.00 H new ATOM 0 HB2 PRO A 75 14.204 -7.863 2.094 1.00 1.00 H new ATOM 0 HB3 PRO A 75 13.775 -6.483 1.103 1.00 1.00 H new ATOM 0 HG2 PRO A 75 15.511 -8.780 0.432 1.00 1.00 H new ATOM 0 HG3 PRO A 75 14.736 -7.637 -0.648 1.00 1.00 H new ATOM 0 HD2 PRO A 75 17.502 -7.677 0.110 1.00 1.00 H new ATOM 0 HD3 PRO A 75 16.703 -6.468 -0.874 1.00 1.00 H new ATOM 1090 N GLU A 76 16.122 -8.246 3.434 1.00 1.00 N ATOM 1091 CA GLU A 76 16.594 -9.015 4.572 1.00 1.00 C ATOM 1092 C GLU A 76 17.905 -8.430 5.103 1.00 1.00 C ATOM 1093 O GLU A 76 18.200 -8.534 6.293 1.00 1.00 O ATOM 1094 CB GLU A 76 16.761 -10.491 4.207 1.00 1.00 C ATOM 1095 CG GLU A 76 15.408 -11.203 4.173 1.00 1.00 C ATOM 1096 CD GLU A 76 15.082 -11.826 5.533 1.00 1.00 C ATOM 1097 OE1 GLU A 76 14.574 -11.074 6.393 1.00 1.00 O ATOM 1098 OE2 GLU A 76 15.348 -13.038 5.681 1.00 1.00 O ATOM 0 H GLU A 76 15.756 -8.805 2.663 1.00 1.00 H new ATOM 0 HA GLU A 76 15.845 -8.953 5.361 1.00 1.00 H new ATOM 0 HB2 GLU A 76 17.246 -10.576 3.234 1.00 1.00 H new ATOM 0 HB3 GLU A 76 17.414 -10.977 4.932 1.00 1.00 H new ATOM 0 HG2 GLU A 76 14.627 -10.495 3.897 1.00 1.00 H new ATOM 0 HG3 GLU A 76 15.420 -11.979 3.407 1.00 1.00 H new ATOM 1105 N ASP A 77 18.657 -7.827 4.193 1.00 1.00 N ATOM 1106 CA ASP A 77 19.930 -7.225 4.553 1.00 1.00 C ATOM 1107 C ASP A 77 19.675 -5.944 5.348 1.00 1.00 C ATOM 1108 O ASP A 77 20.311 -5.709 6.375 1.00 1.00 O ATOM 1109 CB ASP A 77 20.737 -6.856 3.307 1.00 1.00 C ATOM 1110 CG ASP A 77 21.162 -8.042 2.438 1.00 1.00 C ATOM 1111 OD1 ASP A 77 20.488 -9.090 2.539 1.00 1.00 O ATOM 1112 OD2 ASP A 77 22.150 -7.873 1.692 1.00 1.00 O ATOM 0 H ASP A 77 18.409 -7.743 3.207 1.00 1.00 H new ATOM 0 HA ASP A 77 20.491 -7.949 5.144 1.00 1.00 H new ATOM 0 HB2 ASP A 77 20.145 -6.172 2.698 1.00 1.00 H new ATOM 0 HB3 ASP A 77 21.630 -6.314 3.618 1.00 1.00 H new ATOM 1117 N CYS A 78 18.744 -5.147 4.845 1.00 1.00 N ATOM 1118 CA CYS A 78 18.398 -3.895 5.495 1.00 1.00 C ATOM 1119 C CYS A 78 18.070 -4.189 6.959 1.00 1.00 C ATOM 1120 O CYS A 78 18.863 -3.889 7.850 1.00 1.00 O ATOM 1121 CB CYS A 78 17.245 -3.186 4.781 1.00 1.00 C ATOM 1122 SG CYS A 78 16.452 -1.848 5.746 1.00 1.00 S ATOM 0 H CYS A 78 18.218 -5.345 3.994 1.00 1.00 H new ATOM 0 HA CYS A 78 19.244 -3.210 5.445 1.00 1.00 H new ATOM 0 HB2 CYS A 78 17.617 -2.769 3.845 1.00 1.00 H new ATOM 0 HB3 CYS A 78 16.488 -3.925 4.521 1.00 1.00 H new ATOM 1127 N ALA A 79 16.897 -4.772 7.165 1.00 1.00 N ATOM 1128 CA ALA A 79 16.454 -5.110 8.506 1.00 1.00 C ATOM 1129 C ALA A 79 17.619 -5.728 9.283 1.00 1.00 C ATOM 1130 O ALA A 79 17.749 -5.513 10.487 1.00 1.00 O ATOM 1131 CB ALA A 79 15.246 -6.046 8.424 1.00 1.00 C ATOM 0 H ALA A 79 16.240 -5.019 6.424 1.00 1.00 H new ATOM 0 HA ALA A 79 16.138 -4.216 9.043 1.00 1.00 H new ATOM 0 HB1 ALA A 79 14.913 -6.300 9.431 1.00 1.00 H new ATOM 0 HB2 ALA A 79 14.437 -5.549 7.889 1.00 1.00 H new ATOM 0 HB3 ALA A 79 15.526 -6.956 7.894 1.00 1.00 H new ATOM 1137 N ALA A 80 18.434 -6.482 8.563 1.00 1.00 N ATOM 1138 CA ALA A 80 19.583 -7.132 9.168 1.00 1.00 C ATOM 1139 C ALA A 80 20.822 -6.257 8.972 1.00 1.00 C ATOM 1140 O ALA A 80 21.925 -6.769 8.786 1.00 1.00 O ATOM 1141 CB ALA A 80 19.756 -8.530 8.569 1.00 1.00 C ATOM 0 H ALA A 80 18.322 -6.658 7.565 1.00 1.00 H new ATOM 0 HA ALA A 80 19.432 -7.254 10.241 1.00 1.00 H new ATOM 0 HB1 ALA A 80 20.619 -9.017 9.024 1.00 1.00 H new ATOM 0 HB2 ALA A 80 18.862 -9.122 8.763 1.00 1.00 H new ATOM 0 HB3 ALA A 80 19.911 -8.448 7.493 1.00 1.00 H new ATOM 1147 N ARG A 81 20.599 -4.952 9.019 1.00 1.00 N ATOM 1148 CA ARG A 81 21.684 -4.000 8.848 1.00 1.00 C ATOM 1149 C ARG A 81 21.216 -2.591 9.215 1.00 1.00 C ATOM 1150 O ARG A 81 21.967 -1.818 9.808 1.00 1.00 O ATOM 1151 CB ARG A 81 22.195 -4.001 7.406 1.00 1.00 C ATOM 1152 CG ARG A 81 23.049 -5.241 7.129 1.00 1.00 C ATOM 1153 CD ARG A 81 24.078 -4.962 6.032 1.00 1.00 C ATOM 1154 NE ARG A 81 24.672 -6.233 5.559 1.00 1.00 N ATOM 1155 CZ ARG A 81 25.509 -6.987 6.285 1.00 1.00 C ATOM 1156 NH1 ARG A 81 25.858 -6.602 7.519 1.00 1.00 N ATOM 1157 NH2 ARG A 81 25.998 -8.126 5.774 1.00 1.00 N ATOM 0 H ARG A 81 19.683 -4.531 9.173 1.00 1.00 H new ATOM 0 HA ARG A 81 22.497 -4.300 9.510 1.00 1.00 H new ATOM 0 HB2 ARG A 81 21.351 -3.975 6.717 1.00 1.00 H new ATOM 0 HB3 ARG A 81 22.783 -3.102 7.224 1.00 1.00 H new ATOM 0 HG2 ARG A 81 23.559 -5.547 8.042 1.00 1.00 H new ATOM 0 HG3 ARG A 81 22.407 -6.070 6.829 1.00 1.00 H new ATOM 0 HD2 ARG A 81 23.603 -4.442 5.200 1.00 1.00 H new ATOM 0 HD3 ARG A 81 24.860 -4.306 6.414 1.00 1.00 H new ATOM 0 HE ARG A 81 24.429 -6.555 4.622 1.00 1.00 H new ATOM 0 HH11 ARG A 81 25.487 -5.735 7.907 1.00 1.00 H new ATOM 0 HH12 ARG A 81 26.495 -7.176 8.071 1.00 1.00 H new ATOM 0 HH21 ARG A 81 25.733 -8.418 4.833 1.00 1.00 H new ATOM 0 HH22 ARG A 81 26.635 -8.700 6.326 1.00 1.00 H new ATOM 1171 N ASN A 82 19.978 -2.298 8.847 1.00 1.00 N ATOM 1172 CA ASN A 82 19.400 -0.995 9.129 1.00 1.00 C ATOM 1173 C ASN A 82 18.194 -1.166 10.055 1.00 1.00 C ATOM 1174 O ASN A 82 18.350 -1.513 11.225 1.00 1.00 O ATOM 1175 CB ASN A 82 18.919 -0.316 7.846 1.00 1.00 C ATOM 1176 CG ASN A 82 20.101 0.113 6.975 1.00 1.00 C ATOM 1177 OD1 ASN A 82 20.962 -0.866 6.712 1.00 1.00 O flip ATOM 1178 ND2 ASN A 82 20.223 1.257 6.568 1.00 1.00 N flip ATOM 0 H ASN A 82 19.358 -2.942 8.355 1.00 1.00 H new ATOM 0 HA ASN A 82 20.169 -0.379 9.596 1.00 1.00 H new ATOM 0 HB2 ASN A 82 18.280 -0.999 7.287 1.00 1.00 H new ATOM 0 HB3 ASN A 82 18.313 0.555 8.097 1.00 1.00 H new ATOM 0 HD21 ASN A 82 19.525 1.961 6.807 1.00 1.00 H new ATOM 0 HD22 ASN A 82 21.023 1.509 5.988 1.00 1.00 H new ATOM 1185 N CYS A 83 17.019 -0.913 9.498 1.00 1.00 N ATOM 1186 CA CYS A 83 15.788 -1.034 10.258 1.00 1.00 C ATOM 1187 C CYS A 83 14.761 -1.772 9.396 1.00 1.00 C ATOM 1188 O CYS A 83 15.123 -2.441 8.429 1.00 1.00 O ATOM 1189 CB CYS A 83 15.271 0.330 10.719 1.00 1.00 C ATOM 1190 SG CYS A 83 16.466 1.314 11.695 1.00 1.00 S ATOM 0 H CYS A 83 16.894 -0.624 8.528 1.00 1.00 H new ATOM 0 HA CYS A 83 15.975 -1.605 11.168 1.00 1.00 H new ATOM 0 HB2 CYS A 83 14.977 0.907 9.842 1.00 1.00 H new ATOM 0 HB3 CYS A 83 14.372 0.179 11.317 1.00 1.00 H new ATOM 1195 N CYS A 84 13.501 -1.625 9.778 1.00 1.00 N ATOM 1196 CA CYS A 84 12.420 -2.269 9.052 1.00 1.00 C ATOM 1197 C CYS A 84 12.593 -1.966 7.563 1.00 1.00 C ATOM 1198 O CYS A 84 13.068 -0.892 7.196 1.00 1.00 O ATOM 1199 CB CYS A 84 11.049 -1.826 9.569 1.00 1.00 C ATOM 1200 SG CYS A 84 10.726 -2.224 11.325 1.00 1.00 S ATOM 0 H CYS A 84 13.205 -1.070 10.581 1.00 1.00 H new ATOM 0 HA CYS A 84 12.464 -3.347 9.210 1.00 1.00 H new ATOM 0 HB2 CYS A 84 10.955 -0.749 9.432 1.00 1.00 H new ATOM 0 HB3 CYS A 84 10.277 -2.293 8.957 1.00 1.00 H new ATOM 1205 N PHE A 85 12.199 -2.931 6.744 1.00 1.00 N ATOM 1206 CA PHE A 85 12.305 -2.781 5.304 1.00 1.00 C ATOM 1207 C PHE A 85 10.968 -3.078 4.621 1.00 1.00 C ATOM 1208 O PHE A 85 10.661 -4.232 4.327 1.00 1.00 O ATOM 1209 CB PHE A 85 13.346 -3.794 4.824 1.00 1.00 C ATOM 1210 CG PHE A 85 13.628 -3.732 3.321 1.00 1.00 C ATOM 1211 CD1 PHE A 85 12.807 -4.374 2.448 1.00 1.00 C ATOM 1212 CD2 PHE A 85 14.701 -3.035 2.859 1.00 1.00 C ATOM 1213 CE1 PHE A 85 13.070 -4.316 1.054 1.00 1.00 C ATOM 1214 CE2 PHE A 85 14.963 -2.977 1.465 1.00 1.00 C ATOM 1215 CZ PHE A 85 14.142 -3.619 0.592 1.00 1.00 C ATOM 0 H PHE A 85 11.806 -3.820 7.052 1.00 1.00 H new ATOM 0 HA PHE A 85 12.589 -1.758 5.057 1.00 1.00 H new ATOM 0 HB2 PHE A 85 14.277 -3.627 5.365 1.00 1.00 H new ATOM 0 HB3 PHE A 85 13.005 -4.798 5.078 1.00 1.00 H new ATOM 0 HD1 PHE A 85 11.955 -4.928 2.815 1.00 1.00 H new ATOM 0 HD2 PHE A 85 15.354 -2.526 3.553 1.00 1.00 H new ATOM 0 HE1 PHE A 85 12.418 -4.826 0.360 1.00 1.00 H new ATOM 0 HE2 PHE A 85 15.814 -2.423 1.098 1.00 1.00 H new ATOM 0 HZ PHE A 85 14.341 -3.575 -0.469 1.00 1.00 H new ATOM 1225 N SER A 86 10.209 -2.016 4.391 1.00 1.00 N ATOM 1226 CA SER A 86 8.912 -2.148 3.749 1.00 1.00 C ATOM 1227 C SER A 86 8.854 -1.264 2.502 1.00 1.00 C ATOM 1228 O SER A 86 8.637 -0.058 2.602 1.00 1.00 O ATOM 1229 CB SER A 86 7.781 -1.784 4.713 1.00 1.00 C ATOM 1230 OG SER A 86 6.504 -2.149 4.198 1.00 1.00 O ATOM 0 H SER A 86 10.468 -1.061 4.638 1.00 1.00 H new ATOM 0 HA SER A 86 8.780 -3.189 3.454 1.00 1.00 H new ATOM 0 HB2 SER A 86 7.943 -2.284 5.668 1.00 1.00 H new ATOM 0 HB3 SER A 86 7.801 -0.712 4.907 1.00 1.00 H new ATOM 0 HG SER A 86 5.804 -1.674 4.692 1.00 1.00 H new ATOM 1236 N ASP A 87 9.052 -1.898 1.356 1.00 1.00 N ATOM 1237 CA ASP A 87 9.023 -1.184 0.091 1.00 1.00 C ATOM 1238 C ASP A 87 7.579 -1.095 -0.408 1.00 1.00 C ATOM 1239 O ASP A 87 7.294 -0.384 -1.371 1.00 1.00 O ATOM 1240 CB ASP A 87 9.844 -1.915 -0.973 1.00 1.00 C ATOM 1241 CG ASP A 87 9.150 -3.118 -1.614 1.00 1.00 C ATOM 1242 OD1 ASP A 87 8.350 -3.759 -0.898 1.00 1.00 O ATOM 1243 OD2 ASP A 87 9.434 -3.370 -2.805 1.00 1.00 O ATOM 0 H ASP A 87 9.233 -2.899 1.277 1.00 1.00 H new ATOM 0 HA ASP A 87 9.444 -0.192 0.255 1.00 1.00 H new ATOM 0 HB2 ASP A 87 10.107 -1.206 -1.758 1.00 1.00 H new ATOM 0 HB3 ASP A 87 10.778 -2.251 -0.522 1.00 1.00 H new ATOM 1248 N THR A 88 6.705 -1.825 0.272 1.00 1.00 N ATOM 1249 CA THR A 88 5.298 -1.835 -0.089 1.00 1.00 C ATOM 1250 C THR A 88 4.888 -0.485 -0.678 1.00 1.00 C ATOM 1251 O THR A 88 4.134 -0.429 -1.648 1.00 1.00 O ATOM 1252 CB THR A 88 4.494 -2.227 1.152 1.00 1.00 C ATOM 1253 OG1 THR A 88 3.139 -2.011 0.771 1.00 1.00 O ATOM 1254 CG2 THR A 88 4.712 -1.262 2.319 1.00 1.00 C ATOM 0 H THR A 88 6.945 -2.413 1.070 1.00 1.00 H new ATOM 0 HA THR A 88 5.096 -2.568 -0.870 1.00 1.00 H new ATOM 0 HB THR A 88 4.769 -3.236 1.459 1.00 1.00 H new ATOM 0 HG1 THR A 88 2.688 -1.476 1.457 1.00 1.00 H new ATOM 0 HG21 THR A 88 4.119 -1.586 3.174 1.00 1.00 H new ATOM 0 HG22 THR A 88 5.767 -1.253 2.592 1.00 1.00 H new ATOM 0 HG23 THR A 88 4.405 -0.259 2.024 1.00 1.00 H new ATOM 1262 N ILE A 89 5.402 0.573 -0.065 1.00 1.00 N ATOM 1263 CA ILE A 89 5.098 1.919 -0.517 1.00 1.00 C ATOM 1264 C ILE A 89 6.339 2.524 -1.177 1.00 1.00 C ATOM 1265 O ILE A 89 7.320 2.829 -0.499 1.00 1.00 O ATOM 1266 CB ILE A 89 4.545 2.759 0.637 1.00 1.00 C ATOM 1267 CG1 ILE A 89 3.050 2.502 0.835 1.00 1.00 C ATOM 1268 CG2 ILE A 89 4.849 4.244 0.430 1.00 1.00 C ATOM 1269 CD1 ILE A 89 2.781 1.832 2.184 1.00 1.00 C ATOM 0 H ILE A 89 6.026 0.524 0.740 1.00 1.00 H new ATOM 0 HA ILE A 89 4.313 1.899 -1.272 1.00 1.00 H new ATOM 0 HB ILE A 89 5.049 2.453 1.554 1.00 1.00 H new ATOM 0 HG12 ILE A 89 2.505 3.444 0.778 1.00 1.00 H new ATOM 0 HG13 ILE A 89 2.677 1.869 0.030 1.00 1.00 H new ATOM 0 HG21 ILE A 89 4.445 4.818 1.264 1.00 1.00 H new ATOM 0 HG22 ILE A 89 5.928 4.391 0.377 1.00 1.00 H new ATOM 0 HG23 ILE A 89 4.391 4.583 -0.499 1.00 1.00 H new ATOM 0 HD11 ILE A 89 1.711 1.661 2.298 1.00 1.00 H new ATOM 0 HD12 ILE A 89 3.307 0.879 2.228 1.00 1.00 H new ATOM 0 HD13 ILE A 89 3.133 2.478 2.988 1.00 1.00 H new ATOM 1281 N PRO A 90 6.253 2.682 -2.524 1.00 1.00 N ATOM 1282 CA PRO A 90 7.357 3.245 -3.284 1.00 1.00 C ATOM 1283 C PRO A 90 7.451 4.758 -3.077 1.00 1.00 C ATOM 1284 O PRO A 90 6.431 5.435 -2.956 1.00 1.00 O ATOM 1285 CB PRO A 90 7.079 2.858 -4.727 1.00 1.00 C ATOM 1286 CG PRO A 90 5.604 2.498 -4.786 1.00 1.00 C ATOM 1287 CD PRO A 90 5.107 2.331 -3.358 1.00 1.00 C ATOM 0 HA PRO A 90 8.326 2.863 -2.963 1.00 1.00 H new ATOM 0 HB2 PRO A 90 7.307 3.682 -5.403 1.00 1.00 H new ATOM 0 HB3 PRO A 90 7.699 2.015 -5.032 1.00 1.00 H new ATOM 0 HG2 PRO A 90 5.041 3.279 -5.297 1.00 1.00 H new ATOM 0 HG3 PRO A 90 5.458 1.577 -5.351 1.00 1.00 H new ATOM 0 HD2 PRO A 90 4.256 2.982 -3.156 1.00 1.00 H new ATOM 0 HD3 PRO A 90 4.778 1.309 -3.170 1.00 1.00 H new ATOM 1295 N GLU A 91 8.682 5.243 -3.044 1.00 1.00 N ATOM 1296 CA GLU A 91 8.922 6.664 -2.854 1.00 1.00 C ATOM 1297 C GLU A 91 9.005 6.994 -1.362 1.00 1.00 C ATOM 1298 O GLU A 91 8.660 8.100 -0.948 1.00 1.00 O ATOM 1299 CB GLU A 91 7.840 7.499 -3.542 1.00 1.00 C ATOM 1300 CG GLU A 91 7.584 7.000 -4.965 1.00 1.00 C ATOM 1301 CD GLU A 91 8.888 6.556 -5.634 1.00 1.00 C ATOM 1302 OE1 GLU A 91 9.878 7.306 -5.500 1.00 1.00 O ATOM 1303 OE2 GLU A 91 8.864 5.477 -6.263 1.00 1.00 O ATOM 0 H GLU A 91 9.525 4.678 -3.146 1.00 1.00 H new ATOM 0 HA GLU A 91 9.877 6.916 -3.315 1.00 1.00 H new ATOM 0 HB2 GLU A 91 6.917 7.451 -2.965 1.00 1.00 H new ATOM 0 HB3 GLU A 91 8.145 8.545 -3.569 1.00 1.00 H new ATOM 0 HG2 GLU A 91 6.881 6.167 -4.941 1.00 1.00 H new ATOM 0 HG3 GLU A 91 7.120 7.791 -5.554 1.00 1.00 H new ATOM 1310 N VAL A 92 9.460 6.014 -0.596 1.00 1.00 N ATOM 1311 CA VAL A 92 9.592 6.187 0.840 1.00 1.00 C ATOM 1312 C VAL A 92 10.812 5.407 1.333 1.00 1.00 C ATOM 1313 O VAL A 92 11.352 4.570 0.612 1.00 1.00 O ATOM 1314 CB VAL A 92 8.295 5.771 1.537 1.00 1.00 C ATOM 1315 CG1 VAL A 92 7.075 6.338 0.808 1.00 1.00 C ATOM 1316 CG2 VAL A 92 8.202 4.249 1.662 1.00 1.00 C ATOM 0 H VAL A 92 9.742 5.097 -0.943 1.00 1.00 H new ATOM 0 HA VAL A 92 9.756 7.236 1.086 1.00 1.00 H new ATOM 0 HB VAL A 92 8.307 6.188 2.544 1.00 1.00 H new ATOM 0 HG11 VAL A 92 6.166 6.028 1.324 1.00 1.00 H new ATOM 0 HG12 VAL A 92 7.132 7.426 0.796 1.00 1.00 H new ATOM 0 HG13 VAL A 92 7.057 5.964 -0.216 1.00 1.00 H new ATOM 0 HG21 VAL A 92 7.271 3.981 2.161 1.00 1.00 H new ATOM 0 HG22 VAL A 92 8.224 3.800 0.669 1.00 1.00 H new ATOM 0 HG23 VAL A 92 9.045 3.880 2.245 1.00 1.00 H new ATOM 1326 N PRO A 93 11.222 5.716 2.593 1.00 1.00 N ATOM 1327 CA PRO A 93 12.368 5.054 3.192 1.00 1.00 C ATOM 1328 C PRO A 93 12.016 3.629 3.619 1.00 1.00 C ATOM 1329 O PRO A 93 11.740 3.379 4.792 1.00 1.00 O ATOM 1330 CB PRO A 93 12.771 5.942 4.358 1.00 1.00 C ATOM 1331 CG PRO A 93 11.562 6.816 4.653 1.00 1.00 C ATOM 1332 CD PRO A 93 10.606 6.702 3.478 1.00 1.00 C ATOM 0 HA PRO A 93 13.197 4.936 2.495 1.00 1.00 H new ATOM 0 HB2 PRO A 93 13.043 5.345 5.228 1.00 1.00 H new ATOM 0 HB3 PRO A 93 13.640 6.550 4.104 1.00 1.00 H new ATOM 0 HG2 PRO A 93 11.075 6.495 5.574 1.00 1.00 H new ATOM 0 HG3 PRO A 93 11.867 7.852 4.798 1.00 1.00 H new ATOM 0 HD2 PRO A 93 9.617 6.380 3.802 1.00 1.00 H new ATOM 0 HD3 PRO A 93 10.480 7.661 2.976 1.00 1.00 H new ATOM 1340 N TRP A 94 12.036 2.730 2.646 1.00 1.00 N ATOM 1341 CA TRP A 94 11.722 1.335 2.907 1.00 1.00 C ATOM 1342 C TRP A 94 12.466 0.913 4.176 1.00 1.00 C ATOM 1343 O TRP A 94 11.940 0.147 4.982 1.00 1.00 O ATOM 1344 CB TRP A 94 12.059 0.462 1.698 1.00 1.00 C ATOM 1345 CG TRP A 94 11.423 0.937 0.390 1.00 1.00 C ATOM 1346 CD1 TRP A 94 10.514 1.907 0.219 1.00 1.00 C ATOM 1347 CD2 TRP A 94 11.687 0.421 -0.932 1.00 1.00 C ATOM 1348 NE1 TRP A 94 10.174 2.054 -1.110 1.00 1.00 N ATOM 1349 CE2 TRP A 94 10.909 1.121 -1.832 1.00 1.00 C ATOM 1350 CE3 TRP A 94 12.552 -0.603 -1.353 1.00 1.00 C ATOM 1351 CZ2 TRP A 94 10.922 0.872 -3.210 1.00 1.00 C ATOM 1352 CZ3 TRP A 94 12.552 -0.839 -2.733 1.00 1.00 C ATOM 1353 CH2 TRP A 94 11.777 -0.143 -3.652 1.00 1.00 C ATOM 0 H TRP A 94 12.265 2.941 1.675 1.00 1.00 H new ATOM 0 HA TRP A 94 10.652 1.204 3.071 1.00 1.00 H new ATOM 0 HB2 TRP A 94 13.142 0.433 1.574 1.00 1.00 H new ATOM 0 HB3 TRP A 94 11.734 -0.559 1.898 1.00 1.00 H new ATOM 0 HD1 TRP A 94 10.100 2.499 1.021 1.00 1.00 H new ATOM 0 HE1 TRP A 94 9.506 2.724 -1.492 1.00 1.00 H new ATOM 0 HE3 TRP A 94 13.168 -1.164 -0.666 1.00 1.00 H new ATOM 0 HZ2 TRP A 94 10.305 1.434 -3.895 1.00 1.00 H new ATOM 0 HZ3 TRP A 94 13.200 -1.617 -3.109 1.00 1.00 H new ATOM 0 HH2 TRP A 94 11.834 -0.384 -4.703 1.00 1.00 H new ATOM 1364 N CYS A 95 13.678 1.432 4.313 1.00 1.00 N ATOM 1365 CA CYS A 95 14.499 1.118 5.470 1.00 1.00 C ATOM 1366 C CYS A 95 14.221 2.162 6.554 1.00 1.00 C ATOM 1367 O CYS A 95 14.960 3.136 6.685 1.00 1.00 O ATOM 1368 CB CYS A 95 15.984 1.051 5.108 1.00 1.00 C ATOM 1369 SG CYS A 95 16.462 -0.391 4.087 1.00 1.00 S ATOM 0 H CYS A 95 14.111 2.067 3.642 1.00 1.00 H new ATOM 0 HA CYS A 95 14.240 0.128 5.846 1.00 1.00 H new ATOM 0 HB2 CYS A 95 16.255 1.962 4.574 1.00 1.00 H new ATOM 0 HB3 CYS A 95 16.567 1.036 6.029 1.00 1.00 H new ATOM 1374 N PHE A 96 13.156 1.922 7.303 1.00 1.00 N ATOM 1375 CA PHE A 96 12.772 2.829 8.371 1.00 1.00 C ATOM 1376 C PHE A 96 12.911 2.156 9.738 1.00 1.00 C ATOM 1377 O PHE A 96 12.923 0.930 9.832 1.00 1.00 O ATOM 1378 CB PHE A 96 11.303 3.193 8.142 1.00 1.00 C ATOM 1379 CG PHE A 96 10.362 1.988 8.097 1.00 1.00 C ATOM 1380 CD1 PHE A 96 10.221 1.278 6.946 1.00 1.00 C ATOM 1381 CD2 PHE A 96 9.667 1.625 9.209 1.00 1.00 C ATOM 1382 CE1 PHE A 96 9.348 0.158 6.905 1.00 1.00 C ATOM 1383 CE2 PHE A 96 8.795 0.506 9.168 1.00 1.00 C ATOM 1384 CZ PHE A 96 8.653 -0.203 8.016 1.00 1.00 C ATOM 0 H PHE A 96 12.546 1.112 7.192 1.00 1.00 H new ATOM 0 HA PHE A 96 13.416 3.709 8.362 1.00 1.00 H new ATOM 0 HB2 PHE A 96 10.978 3.865 8.936 1.00 1.00 H new ATOM 0 HB3 PHE A 96 11.218 3.743 7.205 1.00 1.00 H new ATOM 0 HD1 PHE A 96 10.773 1.565 6.063 1.00 1.00 H new ATOM 0 HD2 PHE A 96 9.779 2.189 10.123 1.00 1.00 H new ATOM 0 HE1 PHE A 96 9.237 -0.407 5.991 1.00 1.00 H new ATOM 0 HE2 PHE A 96 8.244 0.218 10.051 1.00 1.00 H new ATOM 0 HZ PHE A 96 7.988 -1.053 7.984 1.00 1.00 H new ATOM 1394 N PHE A 97 13.013 2.989 10.764 1.00 1.00 N ATOM 1395 CA PHE A 97 13.151 2.491 12.121 1.00 1.00 C ATOM 1396 C PHE A 97 11.863 1.811 12.590 1.00 1.00 C ATOM 1397 O PHE A 97 10.772 2.171 12.149 1.00 1.00 O ATOM 1398 CB PHE A 97 13.431 3.700 13.016 1.00 1.00 C ATOM 1399 CG PHE A 97 14.794 4.351 12.776 1.00 1.00 C ATOM 1400 CD1 PHE A 97 14.966 5.202 11.729 1.00 1.00 C ATOM 1401 CD2 PHE A 97 15.834 4.077 13.608 1.00 1.00 C ATOM 1402 CE1 PHE A 97 16.232 5.806 11.505 1.00 1.00 C ATOM 1403 CE2 PHE A 97 17.100 4.681 13.384 1.00 1.00 C ATOM 1404 CZ PHE A 97 17.272 5.533 12.338 1.00 1.00 C ATOM 0 H PHE A 97 13.003 4.006 10.682 1.00 1.00 H new ATOM 0 HA PHE A 97 13.955 1.756 12.167 1.00 1.00 H new ATOM 0 HB2 PHE A 97 12.651 4.445 12.857 1.00 1.00 H new ATOM 0 HB3 PHE A 97 13.367 3.389 14.059 1.00 1.00 H new ATOM 0 HD1 PHE A 97 14.140 5.419 11.068 1.00 1.00 H new ATOM 0 HD2 PHE A 97 15.698 3.400 14.439 1.00 1.00 H new ATOM 0 HE1 PHE A 97 16.369 6.482 10.674 1.00 1.00 H new ATOM 0 HE2 PHE A 97 17.926 4.464 14.045 1.00 1.00 H new ATOM 0 HZ PHE A 97 18.234 5.993 12.169 1.00 1.00 H new ATOM 1414 N PRO A 98 12.036 0.816 13.500 1.00 1.00 N ATOM 1415 CA PRO A 98 10.900 0.083 14.033 1.00 1.00 C ATOM 1416 C PRO A 98 10.132 0.927 15.051 1.00 1.00 C ATOM 1417 O PRO A 98 9.058 0.534 15.505 1.00 1.00 O ATOM 1418 CB PRO A 98 11.494 -1.180 14.636 1.00 1.00 C ATOM 1419 CG PRO A 98 12.974 -0.891 14.833 1.00 1.00 C ATOM 1420 CD PRO A 98 13.313 0.363 14.044 1.00 1.00 C ATOM 0 HA PRO A 98 10.164 -0.165 13.269 1.00 1.00 H new ATOM 0 HB2 PRO A 98 11.014 -1.424 15.584 1.00 1.00 H new ATOM 0 HB3 PRO A 98 11.347 -2.035 13.976 1.00 1.00 H new ATOM 0 HG2 PRO A 98 13.198 -0.749 15.890 1.00 1.00 H new ATOM 0 HG3 PRO A 98 13.576 -1.732 14.490 1.00 1.00 H new ATOM 0 HD2 PRO A 98 13.763 1.123 14.683 1.00 1.00 H new ATOM 0 HD3 PRO A 98 14.028 0.150 13.250 1.00 1.00 H new ATOM 1428 N MET A 99 10.711 2.072 15.379 1.00 1.00 N ATOM 1429 CA MET A 99 10.094 2.976 16.336 1.00 1.00 C ATOM 1430 C MET A 99 9.591 2.215 17.563 1.00 1.00 C ATOM 1431 O MET A 99 10.323 1.419 18.148 1.00 1.00 O ATOM 1432 CB MET A 99 8.922 3.702 15.670 1.00 1.00 C ATOM 1433 CG MET A 99 8.636 5.034 16.366 1.00 1.00 C ATOM 1434 SD MET A 99 10.016 6.145 16.152 1.00 1.00 S ATOM 1435 CE MET A 99 10.814 5.959 17.738 1.00 1.00 C ATOM 0 H MET A 99 11.601 2.395 14.999 1.00 1.00 H new ATOM 0 HA MET A 99 10.843 3.698 16.661 1.00 1.00 H new ATOM 0 HB2 MET A 99 9.149 3.878 14.619 1.00 1.00 H new ATOM 0 HB3 MET A 99 8.033 3.072 15.703 1.00 1.00 H new ATOM 0 HG2 MET A 99 7.731 5.482 15.954 1.00 1.00 H new ATOM 0 HG3 MET A 99 8.454 4.867 17.428 1.00 1.00 H new ATOM 0 HE1 MET A 99 10.695 6.876 18.315 1.00 1.00 H new ATOM 0 HE2 MET A 99 10.360 5.128 18.278 1.00 1.00 H new ATOM 0 HE3 MET A 99 11.875 5.759 17.590 1.00 1.00 H new ATOM 1445 N SER A 100 8.343 2.487 17.919 1.00 1.00 N ATOM 1446 CA SER A 100 7.733 1.837 19.067 1.00 1.00 C ATOM 1447 C SER A 100 6.300 1.419 18.731 1.00 1.00 C ATOM 1448 O SER A 100 5.678 1.986 17.836 1.00 1.00 O ATOM 1449 CB SER A 100 7.746 2.754 20.290 1.00 1.00 C ATOM 1450 OG SER A 100 7.027 2.195 21.385 1.00 1.00 O ATOM 0 H SER A 100 7.738 3.149 17.432 1.00 1.00 H new ATOM 0 HA SER A 100 8.317 0.948 19.307 1.00 1.00 H new ATOM 0 HB2 SER A 100 8.777 2.942 20.591 1.00 1.00 H new ATOM 0 HB3 SER A 100 7.311 3.718 20.025 1.00 1.00 H new ATOM 0 HG SER A 100 7.061 2.811 22.147 1.00 1.00 H new ATOM 1456 N VAL A 101 5.818 0.430 19.470 1.00 1.00 N ATOM 1457 CA VAL A 101 4.469 -0.070 19.262 1.00 1.00 C ATOM 1458 C VAL A 101 3.705 -0.027 20.587 1.00 1.00 C ATOM 1459 O VAL A 101 3.536 1.039 21.175 1.00 1.00 O ATOM 1460 CB VAL A 101 4.520 -1.469 18.644 1.00 1.00 C ATOM 1461 CG1 VAL A 101 4.973 -1.409 17.185 1.00 1.00 C ATOM 1462 CG2 VAL A 101 5.422 -2.397 19.462 1.00 1.00 C ATOM 0 H VAL A 101 6.337 -0.038 20.213 1.00 1.00 H new ATOM 0 HA VAL A 101 3.930 0.562 18.556 1.00 1.00 H new ATOM 0 HB VAL A 101 3.511 -1.880 18.663 1.00 1.00 H new ATOM 0 HG11 VAL A 101 5.000 -2.417 16.771 1.00 1.00 H new ATOM 0 HG12 VAL A 101 4.274 -0.800 16.612 1.00 1.00 H new ATOM 0 HG13 VAL A 101 5.968 -0.967 17.131 1.00 1.00 H new ATOM 0 HG21 VAL A 101 5.441 -3.385 19.002 1.00 1.00 H new ATOM 0 HG22 VAL A 101 6.433 -1.990 19.490 1.00 1.00 H new ATOM 0 HG23 VAL A 101 5.035 -2.478 20.478 1.00 1.00 H new ATOM 1472 N GLU A 102 3.264 -1.201 21.017 1.00 1.00 N ATOM 1473 CA GLU A 102 2.522 -1.311 22.260 1.00 1.00 C ATOM 1474 C GLU A 102 1.618 -0.091 22.449 1.00 1.00 C ATOM 1475 O GLU A 102 1.387 0.348 23.574 1.00 1.00 O ATOM 1476 CB GLU A 102 3.468 -1.481 23.451 1.00 1.00 C ATOM 1477 CG GLU A 102 2.822 -2.332 24.547 1.00 1.00 C ATOM 1478 CD GLU A 102 3.787 -2.545 25.714 1.00 1.00 C ATOM 1479 OE1 GLU A 102 4.211 -1.523 26.296 1.00 1.00 O ATOM 1480 OE2 GLU A 102 4.080 -3.726 26.000 1.00 1.00 O ATOM 0 H GLU A 102 3.407 -2.083 20.526 1.00 1.00 H new ATOM 0 HA GLU A 102 1.894 -2.200 22.207 1.00 1.00 H new ATOM 0 HB2 GLU A 102 4.395 -1.950 23.120 1.00 1.00 H new ATOM 0 HB3 GLU A 102 3.732 -0.503 23.853 1.00 1.00 H new ATOM 0 HG2 GLU A 102 1.915 -1.844 24.904 1.00 1.00 H new ATOM 0 HG3 GLU A 102 2.524 -3.296 24.136 1.00 1.00 H new ATOM 1487 N ASP A 103 1.130 0.423 21.329 1.00 1.00 N ATOM 1488 CA ASP A 103 0.256 1.584 21.357 1.00 1.00 C ATOM 1489 C ASP A 103 -0.750 1.487 20.208 1.00 1.00 C ATOM 1490 O ASP A 103 -1.348 2.489 19.817 1.00 1.00 O ATOM 1491 CB ASP A 103 1.054 2.877 21.179 1.00 1.00 C ATOM 1492 CG ASP A 103 0.557 4.062 22.009 1.00 1.00 C ATOM 1493 OD1 ASP A 103 -0.089 3.798 23.046 1.00 1.00 O ATOM 1494 OD2 ASP A 103 0.834 5.206 21.587 1.00 1.00 O ATOM 0 H ASP A 103 1.323 0.057 20.397 1.00 1.00 H new ATOM 0 HA ASP A 103 -0.251 1.602 22.322 1.00 1.00 H new ATOM 0 HB2 ASP A 103 2.095 2.683 21.438 1.00 1.00 H new ATOM 0 HB3 ASP A 103 1.034 3.157 20.126 1.00 1.00 H new ATOM 1499 N CYS A 104 -0.904 0.274 19.699 1.00 1.00 N ATOM 1500 CA CYS A 104 -1.827 0.033 18.604 1.00 1.00 C ATOM 1501 C CYS A 104 -3.224 -0.180 19.190 1.00 1.00 C ATOM 1502 O CYS A 104 -4.030 0.748 19.236 1.00 1.00 O ATOM 1503 CB CYS A 104 -1.385 -1.149 17.740 1.00 1.00 C ATOM 1504 SG CYS A 104 0.360 -1.087 17.190 1.00 1.00 S ATOM 0 H CYS A 104 -0.404 -0.553 20.025 1.00 1.00 H new ATOM 0 HA CYS A 104 -1.840 0.898 17.941 1.00 1.00 H new ATOM 0 HB2 CYS A 104 -1.542 -2.070 18.301 1.00 1.00 H new ATOM 0 HB3 CYS A 104 -2.027 -1.198 16.861 1.00 1.00 H new ATOM 1509 N HIS A 105 -3.467 -1.409 19.624 1.00 1.00 N ATOM 1510 CA HIS A 105 -4.753 -1.755 20.207 1.00 1.00 C ATOM 1511 C HIS A 105 -5.871 -1.037 19.447 1.00 1.00 C ATOM 1512 O HIS A 105 -5.715 -0.706 18.273 1.00 1.00 O ATOM 1513 CB HIS A 105 -4.769 -1.456 21.707 1.00 1.00 C ATOM 1514 CG HIS A 105 -5.245 -0.065 22.051 1.00 1.00 C ATOM 1515 ND1 HIS A 105 -4.565 1.077 21.664 1.00 1.00 N ATOM 1516 CD2 HIS A 105 -6.338 0.355 22.750 1.00 1.00 C ATOM 1517 CE1 HIS A 105 -5.229 2.130 22.115 1.00 1.00 C ATOM 1518 NE2 HIS A 105 -6.327 1.681 22.788 1.00 1.00 N ATOM 0 H HIS A 105 -2.796 -2.176 19.584 1.00 1.00 H new ATOM 0 HA HIS A 105 -4.924 -2.827 20.108 1.00 1.00 H new ATOM 0 HB2 HIS A 105 -5.411 -2.182 22.205 1.00 1.00 H new ATOM 0 HB3 HIS A 105 -3.764 -1.594 22.105 1.00 1.00 H new ATOM 0 HD1 HIS A 105 -3.700 1.103 21.124 1.00 1.00 H new ATOM 0 HD2 HIS A 105 -7.086 -0.284 23.197 1.00 1.00 H new ATOM 0 HE1 HIS A 105 -4.950 3.164 21.974 1.00 1.00 H new ATOM 1526 N TYR A 106 -6.973 -0.817 20.149 1.00 1.00 N ATOM 1527 CA TYR A 106 -8.115 -0.143 19.557 1.00 1.00 C ATOM 1528 C TYR A 106 -8.906 0.628 20.614 1.00 1.00 C ATOM 1529 O TYR A 106 -8.747 1.840 20.752 1.00 1.00 O ATOM 1530 CB TYR A 106 -9.003 -1.249 18.979 1.00 1.00 C ATOM 1531 CG TYR A 106 -8.412 -1.941 17.750 1.00 1.00 C ATOM 1532 CD1 TYR A 106 -7.765 -1.199 16.784 1.00 1.00 C ATOM 1533 CD2 TYR A 106 -8.527 -3.309 17.607 1.00 1.00 C ATOM 1534 CE1 TYR A 106 -7.209 -1.851 15.626 1.00 1.00 C ATOM 1535 CE2 TYR A 106 -7.972 -3.962 16.450 1.00 1.00 C ATOM 1536 CZ TYR A 106 -7.340 -3.200 15.517 1.00 1.00 C ATOM 1537 OH TYR A 106 -6.816 -3.817 14.423 1.00 1.00 O ATOM 0 H TYR A 106 -7.099 -1.094 21.123 1.00 1.00 H new ATOM 0 HA TYR A 106 -7.789 0.571 18.801 1.00 1.00 H new ATOM 0 HB2 TYR A 106 -9.185 -1.996 19.752 1.00 1.00 H new ATOM 0 HB3 TYR A 106 -9.970 -0.823 18.713 1.00 1.00 H new ATOM 0 HD1 TYR A 106 -7.675 -0.129 16.896 1.00 1.00 H new ATOM 0 HD2 TYR A 106 -9.034 -3.890 18.363 1.00 1.00 H new ATOM 0 HE1 TYR A 106 -6.700 -1.282 14.862 1.00 1.00 H new ATOM 0 HE2 TYR A 106 -8.055 -5.032 16.326 1.00 1.00 H new ATOM 0 HH TYR A 106 -7.144 -3.377 13.611 1.00 1.00 H new