USER MOD reduce.3.24.130724 H: found=0, std=0, add=699, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 699 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 71 SER OG : rot 160:sc= -1.14 USER MOD Set 1.2: A 92 SER OG : rot 130:sc= -0.26 USER MOD Single : A 7 LYS NZ :NH3+ -149:sc= -2.75 (180deg=-3.68!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.148 USER MOD Single : A 15 THR OG1 : rot -44:sc= 0.526 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -0.471 X(o=-0.47,f=-0.61) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 GLN : amide:sc= -0.246 X(o=-0.25,f=-0.048) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 150:sc= -0.587 USER MOD Single : A 25 ASN : amide:sc= -0.216 X(o=-0.22,f=-0.065) USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot -63:sc= 0.118 USER MOD Single : A 46 ASN : amide:sc= -16.1! C(o=-16!,f=-7.6!) USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=-0.097) USER MOD Single : A 51 THR OG1 : rot -40:sc= -3.7! USER MOD Single : A 54 THR OG1 : rot 82:sc= 1.21 USER MOD Single : A 57 HIS : no HD1:sc= -3.3! C(o=-3.3!,f=-4.1!) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 TYR OH : rot 166:sc= 1.25 USER MOD Single : A 66 HIS : no HE2:sc= -11.2! C(o=-11!,f=-16!) USER MOD Single : A 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= -0.0947 X(o=-0.095,f=-0.43) USER MOD Single : A 78 MET CE :methyl 179:sc= -14.5! (180deg=-14.7!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 161:sc= -0.278 (180deg=-0.778) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 MET CE :methyl 167:sc= -15.9! (180deg=-17.3!) USER MOD Single : A 94 THR OG1 : rot -3:sc= 1.01 USER MOD Single : A 99 ASN : amide:sc= -7.66! C(o=-7.7!,f=-18!) USER MOD Single : A 105 SER OG : rot -9:sc= 0.822 USER MOD ----------------------------------------------------------------- ATOM 77 N LEU A 5 11.824 -3.167 -3.732 1.00 0.00 N ATOM 78 CA LEU A 5 12.516 -3.833 -4.818 1.00 0.00 C ATOM 79 C LEU A 5 13.776 -3.058 -5.179 1.00 0.00 C ATOM 80 O LEU A 5 13.766 -1.830 -5.208 1.00 0.00 O ATOM 81 CB LEU A 5 11.585 -3.943 -6.022 1.00 0.00 C ATOM 82 CG LEU A 5 10.786 -5.239 -5.930 1.00 0.00 C ATOM 83 CD1 LEU A 5 9.893 -5.376 -7.160 1.00 0.00 C ATOM 84 CD2 LEU A 5 11.744 -6.425 -5.861 1.00 0.00 C ATOM 0 HA LEU A 5 12.807 -4.837 -4.508 1.00 0.00 H new ATOM 0 HB2 LEU A 5 10.909 -3.088 -6.052 1.00 0.00 H new ATOM 0 HB3 LEU A 5 12.164 -3.925 -6.946 1.00 0.00 H new ATOM 0 HG LEU A 5 10.167 -5.220 -5.033 1.00 0.00 H new ATOM 0 HD11 LEU A 5 9.322 -6.302 -7.094 1.00 0.00 H new ATOM 0 HD12 LEU A 5 9.207 -4.530 -7.208 1.00 0.00 H new ATOM 0 HD13 LEU A 5 10.511 -5.394 -8.058 1.00 0.00 H new ATOM 0 HD21 LEU A 5 11.173 -7.351 -5.795 1.00 0.00 H new ATOM 0 HD22 LEU A 5 12.364 -6.444 -6.757 1.00 0.00 H new ATOM 0 HD23 LEU A 5 12.380 -6.328 -4.981 1.00 0.00 H new ATOM 96 N CYS A 6 14.864 -3.782 -5.454 1.00 0.00 N ATOM 97 CA CYS A 6 16.124 -3.162 -5.812 1.00 0.00 C ATOM 98 C CYS A 6 16.889 -4.067 -6.768 1.00 0.00 C ATOM 99 O CYS A 6 16.611 -5.262 -6.852 1.00 0.00 O ATOM 100 CB CYS A 6 16.938 -2.900 -4.548 1.00 0.00 C ATOM 101 SG CYS A 6 15.932 -2.649 -3.064 1.00 0.00 S ATOM 0 H CYS A 6 14.888 -4.801 -5.433 1.00 0.00 H new ATOM 0 HA CYS A 6 15.938 -2.211 -6.312 1.00 0.00 H new ATOM 0 HB2 CYS A 6 17.611 -3.741 -4.381 1.00 0.00 H new ATOM 0 HB3 CYS A 6 17.561 -2.020 -4.705 1.00 0.00 H new ATOM 106 N LYS A 7 17.855 -3.494 -7.490 1.00 0.00 N ATOM 107 CA LYS A 7 18.653 -4.251 -8.434 1.00 0.00 C ATOM 108 C LYS A 7 19.742 -5.015 -7.696 1.00 0.00 C ATOM 109 O LYS A 7 20.545 -4.423 -6.979 1.00 0.00 O ATOM 110 CB LYS A 7 19.261 -3.300 -9.460 1.00 0.00 C ATOM 111 CG LYS A 7 18.257 -3.053 -10.583 1.00 0.00 C ATOM 112 CD LYS A 7 16.896 -2.713 -9.983 1.00 0.00 C ATOM 113 CE LYS A 7 16.004 -2.101 -11.059 1.00 0.00 C ATOM 114 NZ LYS A 7 16.769 -1.189 -11.923 1.00 0.00 N ATOM 0 H LYS A 7 18.097 -2.505 -7.432 1.00 0.00 H new ATOM 0 HA LYS A 7 18.021 -4.972 -8.953 1.00 0.00 H new ATOM 0 HB2 LYS A 7 19.529 -2.357 -8.984 1.00 0.00 H new ATOM 0 HB3 LYS A 7 20.179 -3.724 -9.866 1.00 0.00 H new ATOM 0 HG2 LYS A 7 18.600 -2.237 -11.219 1.00 0.00 H new ATOM 0 HG3 LYS A 7 18.177 -3.938 -11.215 1.00 0.00 H new ATOM 0 HD2 LYS A 7 16.431 -3.611 -9.578 1.00 0.00 H new ATOM 0 HD3 LYS A 7 17.016 -2.015 -9.155 1.00 0.00 H new ATOM 0 HE2 LYS A 7 15.561 -2.893 -11.663 1.00 0.00 H new ATOM 0 HE3 LYS A 7 15.182 -1.560 -10.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 16.146 -0.429 -12.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 17.555 -0.776 -11.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 17.147 -1.716 -12.736 1.00 0.00 H new ATOM 128 N PHE A 8 19.767 -6.339 -7.874 1.00 0.00 N ATOM 129 CA PHE A 8 20.756 -7.177 -7.226 1.00 0.00 C ATOM 130 C PHE A 8 21.677 -7.791 -8.271 1.00 0.00 C ATOM 131 O PHE A 8 21.495 -8.942 -8.662 1.00 0.00 O ATOM 132 CB PHE A 8 20.050 -8.264 -6.420 1.00 0.00 C ATOM 133 CG PHE A 8 20.937 -8.921 -5.389 1.00 0.00 C ATOM 134 CD1 PHE A 8 21.937 -9.814 -5.793 1.00 0.00 C ATOM 135 CD2 PHE A 8 20.760 -8.636 -4.030 1.00 0.00 C ATOM 136 CE1 PHE A 8 22.760 -10.421 -4.838 1.00 0.00 C ATOM 137 CE2 PHE A 8 21.582 -9.244 -3.075 1.00 0.00 C ATOM 138 CZ PHE A 8 22.582 -10.137 -3.479 1.00 0.00 C ATOM 0 H PHE A 8 19.108 -6.846 -8.465 1.00 0.00 H new ATOM 0 HA PHE A 8 21.361 -6.575 -6.548 1.00 0.00 H new ATOM 0 HB2 PHE A 8 19.184 -7.830 -5.920 1.00 0.00 H new ATOM 0 HB3 PHE A 8 19.674 -9.026 -7.103 1.00 0.00 H new ATOM 0 HD1 PHE A 8 22.073 -10.034 -6.842 1.00 0.00 H new ATOM 0 HD2 PHE A 8 19.989 -7.947 -3.719 1.00 0.00 H new ATOM 0 HE1 PHE A 8 23.532 -11.109 -5.149 1.00 0.00 H new ATOM 0 HE2 PHE A 8 21.445 -9.025 -2.026 1.00 0.00 H new ATOM 0 HZ PHE A 8 23.216 -10.607 -2.742 1.00 0.00 H new ATOM 148 N CYS A 9 22.669 -7.020 -8.721 1.00 0.00 N ATOM 149 CA CYS A 9 23.612 -7.489 -9.715 1.00 0.00 C ATOM 150 C CYS A 9 25.035 -7.284 -9.213 1.00 0.00 C ATOM 151 O CYS A 9 25.296 -6.364 -8.440 1.00 0.00 O ATOM 152 CB CYS A 9 23.388 -6.737 -11.024 1.00 0.00 C ATOM 153 SG CYS A 9 22.981 -4.987 -10.805 1.00 0.00 S ATOM 0 H CYS A 9 22.833 -6.064 -8.405 1.00 0.00 H new ATOM 0 HA CYS A 9 23.459 -8.554 -9.892 1.00 0.00 H new ATOM 0 HB2 CYS A 9 24.287 -6.817 -11.636 1.00 0.00 H new ATOM 0 HB3 CYS A 9 22.582 -7.221 -11.576 1.00 0.00 H new ATOM 158 N ASP A 10 25.954 -8.145 -9.653 1.00 0.00 N ATOM 159 CA ASP A 10 27.342 -8.056 -9.246 1.00 0.00 C ATOM 160 C ASP A 10 27.985 -6.828 -9.874 1.00 0.00 C ATOM 161 O ASP A 10 27.410 -6.215 -10.772 1.00 0.00 O ATOM 162 CB ASP A 10 28.078 -9.326 -9.665 1.00 0.00 C ATOM 163 CG ASP A 10 27.162 -10.538 -9.579 1.00 0.00 C ATOM 164 OD1 ASP A 10 26.584 -10.736 -8.488 1.00 0.00 O ATOM 165 OD2 ASP A 10 27.055 -11.244 -10.606 1.00 0.00 O ATOM 0 H ASP A 10 25.753 -8.912 -10.294 1.00 0.00 H new ATOM 0 HA ASP A 10 27.401 -7.959 -8.162 1.00 0.00 H new ATOM 0 HB2 ASP A 10 28.449 -9.217 -10.684 1.00 0.00 H new ATOM 0 HB3 ASP A 10 28.947 -9.476 -9.024 1.00 0.00 H new ATOM 170 N VAL A 11 29.181 -6.469 -9.402 1.00 0.00 N ATOM 171 CA VAL A 11 29.895 -5.319 -9.918 1.00 0.00 C ATOM 172 C VAL A 11 30.532 -5.666 -11.256 1.00 0.00 C ATOM 173 O VAL A 11 31.437 -6.496 -11.318 1.00 0.00 O ATOM 174 CB VAL A 11 30.954 -4.883 -8.911 1.00 0.00 C ATOM 175 CG1 VAL A 11 31.200 -6.010 -7.912 1.00 0.00 C ATOM 176 CG2 VAL A 11 32.253 -4.562 -9.645 1.00 0.00 C ATOM 0 H VAL A 11 29.670 -6.967 -8.659 1.00 0.00 H new ATOM 0 HA VAL A 11 29.200 -4.494 -10.072 1.00 0.00 H new ATOM 0 HB VAL A 11 30.608 -3.996 -8.381 1.00 0.00 H new ATOM 0 HG11 VAL A 11 31.957 -5.699 -7.192 1.00 0.00 H new ATOM 0 HG12 VAL A 11 30.273 -6.240 -7.387 1.00 0.00 H new ATOM 0 HG13 VAL A 11 31.546 -6.897 -8.442 1.00 0.00 H new ATOM 0 HG21 VAL A 11 33.010 -4.250 -8.925 1.00 0.00 H new ATOM 0 HG22 VAL A 11 32.600 -5.449 -10.175 1.00 0.00 H new ATOM 0 HG23 VAL A 11 32.078 -3.757 -10.359 1.00 0.00 H new ATOM 186 N LYS A 12 30.057 -5.029 -12.329 1.00 0.00 N ATOM 187 CA LYS A 12 30.583 -5.273 -13.657 1.00 0.00 C ATOM 188 C LYS A 12 30.773 -3.953 -14.390 1.00 0.00 C ATOM 189 O LYS A 12 30.201 -2.937 -14.004 1.00 0.00 O ATOM 190 CB LYS A 12 29.627 -6.184 -14.422 1.00 0.00 C ATOM 191 CG LYS A 12 28.242 -6.115 -13.786 1.00 0.00 C ATOM 192 CD LYS A 12 27.222 -6.772 -14.712 1.00 0.00 C ATOM 193 CE LYS A 12 25.827 -6.642 -14.109 1.00 0.00 C ATOM 194 NZ LYS A 12 24.862 -7.492 -14.821 1.00 0.00 N ATOM 0 H LYS A 12 29.306 -4.339 -12.295 1.00 0.00 H new ATOM 0 HA LYS A 12 31.553 -5.765 -13.582 1.00 0.00 H new ATOM 0 HB2 LYS A 12 29.575 -5.879 -15.467 1.00 0.00 H new ATOM 0 HB3 LYS A 12 29.995 -7.210 -14.407 1.00 0.00 H new ATOM 0 HG2 LYS A 12 28.249 -6.619 -12.819 1.00 0.00 H new ATOM 0 HG3 LYS A 12 27.966 -5.077 -13.602 1.00 0.00 H new ATOM 0 HD2 LYS A 12 27.250 -6.300 -15.694 1.00 0.00 H new ATOM 0 HD3 LYS A 12 27.471 -7.823 -14.856 1.00 0.00 H new ATOM 0 HE2 LYS A 12 25.855 -6.922 -13.056 1.00 0.00 H new ATOM 0 HE3 LYS A 12 25.503 -5.602 -14.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 23.921 -7.385 -14.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 24.820 -7.208 -15.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 25.161 -8.486 -14.756 1.00 0.00 H new ATOM 208 N ALA A 13 31.580 -3.973 -15.454 1.00 0.00 N ATOM 209 CA ALA A 13 31.843 -2.781 -16.236 1.00 0.00 C ATOM 210 C ALA A 13 30.542 -2.029 -16.482 1.00 0.00 C ATOM 211 O ALA A 13 29.567 -2.607 -16.957 1.00 0.00 O ATOM 212 CB ALA A 13 32.498 -3.173 -17.556 1.00 0.00 C ATOM 0 H ALA A 13 32.060 -4.809 -15.788 1.00 0.00 H new ATOM 0 HA ALA A 13 32.522 -2.126 -15.690 1.00 0.00 H new ATOM 0 HB1 ALA A 13 32.696 -2.277 -18.144 1.00 0.00 H new ATOM 0 HB2 ALA A 13 33.436 -3.691 -17.357 1.00 0.00 H new ATOM 0 HB3 ALA A 13 31.831 -3.832 -18.112 1.00 0.00 H new ATOM 218 N THR A 14 30.529 -0.734 -16.156 1.00 0.00 N ATOM 219 CA THR A 14 29.350 0.086 -16.344 1.00 0.00 C ATOM 220 C THR A 14 29.682 1.278 -17.230 1.00 0.00 C ATOM 221 O THR A 14 30.852 1.588 -17.448 1.00 0.00 O ATOM 222 CB THR A 14 28.831 0.550 -14.987 1.00 0.00 C ATOM 223 OG1 THR A 14 27.712 1.388 -15.172 1.00 0.00 O ATOM 224 CG2 THR A 14 29.929 1.321 -14.259 1.00 0.00 C ATOM 0 H THR A 14 31.328 -0.238 -15.760 1.00 0.00 H new ATOM 0 HA THR A 14 28.573 -0.500 -16.835 1.00 0.00 H new ATOM 0 HB THR A 14 28.541 -0.317 -14.394 1.00 0.00 H new ATOM 0 HG1 THR A 14 27.378 1.685 -14.300 1.00 0.00 H new ATOM 0 HG21 THR A 14 29.559 1.653 -13.289 1.00 0.00 H new ATOM 0 HG22 THR A 14 30.794 0.674 -14.115 1.00 0.00 H new ATOM 0 HG23 THR A 14 30.220 2.188 -14.852 1.00 0.00 H new ATOM 232 N THR A 15 28.647 1.948 -17.742 1.00 0.00 N ATOM 233 CA THR A 15 28.835 3.101 -18.598 1.00 0.00 C ATOM 234 C THR A 15 28.240 4.339 -17.942 1.00 0.00 C ATOM 235 O THR A 15 27.959 5.329 -18.614 1.00 0.00 O ATOM 236 CB THR A 15 28.182 2.840 -19.952 1.00 0.00 C ATOM 237 OG1 THR A 15 28.571 3.844 -20.863 1.00 0.00 O ATOM 238 CG2 THR A 15 26.664 2.857 -19.796 1.00 0.00 C ATOM 0 H THR A 15 27.671 1.704 -17.573 1.00 0.00 H new ATOM 0 HA THR A 15 29.901 3.274 -18.749 1.00 0.00 H new ATOM 0 HB THR A 15 28.499 1.867 -20.326 1.00 0.00 H new ATOM 0 HG1 THR A 15 28.519 4.720 -20.426 1.00 0.00 H new ATOM 0 HG21 THR A 15 26.197 2.671 -20.763 1.00 0.00 H new ATOM 0 HG22 THR A 15 26.362 2.082 -19.092 1.00 0.00 H new ATOM 0 HG23 THR A 15 26.348 3.831 -19.422 1.00 0.00 H new ATOM 246 N CYS A 16 28.048 4.279 -16.622 1.00 0.00 N ATOM 247 CA CYS A 16 27.488 5.390 -15.879 1.00 0.00 C ATOM 248 C CYS A 16 28.610 6.278 -15.358 1.00 0.00 C ATOM 249 O CYS A 16 29.624 5.780 -14.872 1.00 0.00 O ATOM 250 CB CYS A 16 26.641 4.855 -14.727 1.00 0.00 C ATOM 251 SG CYS A 16 25.028 5.660 -14.566 1.00 0.00 S ATOM 0 H CYS A 16 28.276 3.465 -16.051 1.00 0.00 H new ATOM 0 HA CYS A 16 26.852 5.987 -16.532 1.00 0.00 H new ATOM 0 HB2 CYS A 16 26.489 3.785 -14.867 1.00 0.00 H new ATOM 0 HB3 CYS A 16 27.193 4.979 -13.795 1.00 0.00 H new ATOM 256 N SER A 17 28.425 7.596 -15.460 1.00 0.00 N ATOM 257 CA SER A 17 29.420 8.544 -14.998 1.00 0.00 C ATOM 258 C SER A 17 28.937 9.220 -13.724 1.00 0.00 C ATOM 259 O SER A 17 27.751 9.176 -13.404 1.00 0.00 O ATOM 260 CB SER A 17 29.684 9.575 -16.091 1.00 0.00 C ATOM 261 OG SER A 17 30.477 8.995 -17.103 1.00 0.00 O ATOM 0 H SER A 17 27.590 8.024 -15.861 1.00 0.00 H new ATOM 0 HA SER A 17 30.351 8.021 -14.777 1.00 0.00 H new ATOM 0 HB2 SER A 17 28.741 9.926 -16.510 1.00 0.00 H new ATOM 0 HB3 SER A 17 30.190 10.444 -15.671 1.00 0.00 H new ATOM 0 HG SER A 17 30.645 9.657 -17.806 1.00 0.00 H new ATOM 267 N ASN A 18 29.861 9.850 -12.995 1.00 0.00 N ATOM 268 CA ASN A 18 29.525 10.533 -11.761 1.00 0.00 C ATOM 269 C ASN A 18 28.719 11.788 -12.067 1.00 0.00 C ATOM 270 O ASN A 18 29.177 12.900 -11.817 1.00 0.00 O ATOM 271 CB ASN A 18 30.806 10.883 -11.010 1.00 0.00 C ATOM 272 CG ASN A 18 31.888 11.354 -11.973 1.00 0.00 C ATOM 273 OD1 ASN A 18 31.649 12.237 -12.793 1.00 0.00 O ATOM 274 ND2 ASN A 18 33.080 10.763 -11.868 1.00 0.00 N ATOM 0 H ASN A 18 30.849 9.897 -13.246 1.00 0.00 H new ATOM 0 HA ASN A 18 28.918 9.880 -11.134 1.00 0.00 H new ATOM 0 HB2 ASN A 18 30.601 11.663 -10.277 1.00 0.00 H new ATOM 0 HB3 ASN A 18 31.159 10.012 -10.458 1.00 0.00 H new ATOM 0 HD21 ASN A 18 33.843 11.040 -12.486 1.00 0.00 H new ATOM 0 HD22 ASN A 18 33.228 10.034 -11.170 1.00 0.00 H new ATOM 281 N GLN A 19 27.512 11.604 -12.607 1.00 0.00 N ATOM 282 CA GLN A 19 26.649 12.718 -12.944 1.00 0.00 C ATOM 283 C GLN A 19 25.535 12.838 -11.913 1.00 0.00 C ATOM 284 O GLN A 19 25.277 11.901 -11.161 1.00 0.00 O ATOM 285 CB GLN A 19 26.072 12.509 -14.341 1.00 0.00 C ATOM 286 CG GLN A 19 27.157 11.963 -15.264 1.00 0.00 C ATOM 287 CD GLN A 19 27.470 12.950 -16.379 1.00 0.00 C ATOM 288 OE1 GLN A 19 28.540 13.554 -16.394 1.00 0.00 O ATOM 289 NE2 GLN A 19 26.531 13.114 -17.313 1.00 0.00 N ATOM 0 H GLN A 19 27.117 10.687 -12.817 1.00 0.00 H new ATOM 0 HA GLN A 19 27.224 13.644 -12.937 1.00 0.00 H new ATOM 0 HB2 GLN A 19 25.232 11.815 -14.299 1.00 0.00 H new ATOM 0 HB3 GLN A 19 25.688 13.451 -14.732 1.00 0.00 H new ATOM 0 HG2 GLN A 19 28.060 11.760 -14.689 1.00 0.00 H new ATOM 0 HG3 GLN A 19 26.832 11.015 -15.693 1.00 0.00 H new ATOM 0 HE21 GLN A 19 25.658 12.589 -17.257 1.00 0.00 H new ATOM 0 HE22 GLN A 19 26.686 13.764 -18.083 1.00 0.00 H new ATOM 298 N ASP A 20 24.874 13.997 -11.880 1.00 0.00 N ATOM 299 CA ASP A 20 23.793 14.235 -10.944 1.00 0.00 C ATOM 300 C ASP A 20 22.982 12.960 -10.761 1.00 0.00 C ATOM 301 O ASP A 20 22.886 12.438 -9.652 1.00 0.00 O ATOM 302 CB ASP A 20 22.912 15.367 -11.462 1.00 0.00 C ATOM 303 CG ASP A 20 23.544 16.722 -11.179 1.00 0.00 C ATOM 304 OD1 ASP A 20 23.718 17.027 -9.979 1.00 0.00 O ATOM 305 OD2 ASP A 20 23.843 17.427 -12.167 1.00 0.00 O ATOM 0 H ASP A 20 25.076 14.784 -12.497 1.00 0.00 H new ATOM 0 HA ASP A 20 24.201 14.525 -9.976 1.00 0.00 H new ATOM 0 HB2 ASP A 20 22.757 15.251 -12.535 1.00 0.00 H new ATOM 0 HB3 ASP A 20 21.931 15.314 -10.991 1.00 0.00 H new ATOM 310 N GLN A 21 22.397 12.460 -11.851 1.00 0.00 N ATOM 311 CA GLN A 21 21.598 11.252 -11.803 1.00 0.00 C ATOM 312 C GLN A 21 22.191 10.203 -12.733 1.00 0.00 C ATOM 313 O GLN A 21 22.522 10.499 -13.879 1.00 0.00 O ATOM 314 CB GLN A 21 20.162 11.578 -12.204 1.00 0.00 C ATOM 315 CG GLN A 21 20.162 12.717 -13.220 1.00 0.00 C ATOM 316 CD GLN A 21 18.918 12.665 -14.094 1.00 0.00 C ATOM 317 OE1 GLN A 21 18.176 13.642 -14.180 1.00 0.00 O ATOM 318 NE2 GLN A 21 18.689 11.520 -14.742 1.00 0.00 N ATOM 0 H GLN A 21 22.467 12.881 -12.777 1.00 0.00 H new ATOM 0 HA GLN A 21 21.598 10.852 -10.789 1.00 0.00 H new ATOM 0 HB2 GLN A 21 19.683 10.696 -12.630 1.00 0.00 H new ATOM 0 HB3 GLN A 21 19.583 11.861 -11.325 1.00 0.00 H new ATOM 0 HG2 GLN A 21 20.206 13.674 -12.700 1.00 0.00 H new ATOM 0 HG3 GLN A 21 21.053 12.653 -13.845 1.00 0.00 H new ATOM 0 HE21 GLN A 21 19.335 10.737 -14.638 1.00 0.00 H new ATOM 0 HE22 GLN A 21 17.868 11.428 -15.341 1.00 0.00 H new ATOM 327 N CYS A 22 22.326 8.971 -12.235 1.00 0.00 N ATOM 328 CA CYS A 22 22.878 7.884 -13.020 1.00 0.00 C ATOM 329 C CYS A 22 22.065 6.618 -12.787 1.00 0.00 C ATOM 330 O CYS A 22 21.328 6.521 -11.810 1.00 0.00 O ATOM 331 CB CYS A 22 24.338 7.669 -12.633 1.00 0.00 C ATOM 332 SG CYS A 22 25.478 7.665 -14.039 1.00 0.00 S ATOM 0 H CYS A 22 22.057 8.709 -11.287 1.00 0.00 H new ATOM 0 HA CYS A 22 22.831 8.133 -14.080 1.00 0.00 H new ATOM 0 HB2 CYS A 22 24.638 8.452 -11.937 1.00 0.00 H new ATOM 0 HB3 CYS A 22 24.427 6.721 -12.103 1.00 0.00 H new ATOM 337 N THR A 23 22.201 5.646 -13.692 1.00 0.00 N ATOM 338 CA THR A 23 21.480 4.394 -13.578 1.00 0.00 C ATOM 339 C THR A 23 22.456 3.256 -13.317 1.00 0.00 C ATOM 340 O THR A 23 23.631 3.347 -13.664 1.00 0.00 O ATOM 341 CB THR A 23 20.690 4.145 -14.859 1.00 0.00 C ATOM 342 OG1 THR A 23 19.794 5.213 -15.073 1.00 0.00 O ATOM 343 CG2 THR A 23 19.907 2.842 -14.729 1.00 0.00 C ATOM 0 H THR A 23 22.807 5.710 -14.510 1.00 0.00 H new ATOM 0 HA THR A 23 20.784 4.447 -12.741 1.00 0.00 H new ATOM 0 HB THR A 23 21.377 4.073 -15.702 1.00 0.00 H new ATOM 0 HG1 THR A 23 19.287 5.055 -15.897 1.00 0.00 H new ATOM 0 HG21 THR A 23 19.342 2.664 -15.644 1.00 0.00 H new ATOM 0 HG22 THR A 23 20.599 2.017 -14.563 1.00 0.00 H new ATOM 0 HG23 THR A 23 19.219 2.913 -13.886 1.00 0.00 H new ATOM 351 N SER A 24 21.963 2.178 -12.702 1.00 0.00 N ATOM 352 CA SER A 24 22.790 1.028 -12.398 1.00 0.00 C ATOM 353 C SER A 24 22.928 0.150 -13.635 1.00 0.00 C ATOM 354 O SER A 24 23.876 -0.623 -13.749 1.00 0.00 O ATOM 355 CB SER A 24 22.167 0.244 -11.246 1.00 0.00 C ATOM 356 OG SER A 24 20.965 -0.352 -11.680 1.00 0.00 O ATOM 0 H SER A 24 20.991 2.086 -12.408 1.00 0.00 H new ATOM 0 HA SER A 24 23.784 1.360 -12.099 1.00 0.00 H new ATOM 0 HB2 SER A 24 22.860 -0.522 -10.896 1.00 0.00 H new ATOM 0 HB3 SER A 24 21.973 0.907 -10.403 1.00 0.00 H new ATOM 0 HG SER A 24 20.815 -1.184 -11.185 1.00 0.00 H new ATOM 362 N ASN A 25 21.977 0.273 -14.563 1.00 0.00 N ATOM 363 CA ASN A 25 21.998 -0.507 -15.785 1.00 0.00 C ATOM 364 C ASN A 25 21.657 -1.958 -15.480 1.00 0.00 C ATOM 365 O ASN A 25 21.640 -2.798 -16.378 1.00 0.00 O ATOM 366 CB ASN A 25 23.377 -0.399 -16.430 1.00 0.00 C ATOM 367 CG ASN A 25 23.323 -0.803 -17.897 1.00 0.00 C ATOM 368 OD1 ASN A 25 24.014 -1.729 -18.314 1.00 0.00 O ATOM 369 ND2 ASN A 25 22.496 -0.105 -18.680 1.00 0.00 N ATOM 0 H ASN A 25 21.184 0.909 -14.484 1.00 0.00 H new ATOM 0 HA ASN A 25 21.253 -0.120 -16.480 1.00 0.00 H new ATOM 0 HB2 ASN A 25 23.744 0.624 -16.343 1.00 0.00 H new ATOM 0 HB3 ASN A 25 24.083 -1.037 -15.898 1.00 0.00 H new ATOM 0 HD21 ASN A 25 22.418 -0.333 -19.671 1.00 0.00 H new ATOM 0 HD22 ASN A 25 21.942 0.656 -18.287 1.00 0.00 H new ATOM 376 N CYS A 26 21.384 -2.252 -14.206 1.00 0.00 N ATOM 377 CA CYS A 26 21.044 -3.597 -13.788 1.00 0.00 C ATOM 378 C CYS A 26 19.704 -4.000 -14.388 1.00 0.00 C ATOM 379 O CYS A 26 18.943 -3.149 -14.842 1.00 0.00 O ATOM 380 CB CYS A 26 20.994 -3.657 -12.263 1.00 0.00 C ATOM 381 SG CYS A 26 21.004 -5.338 -11.594 1.00 0.00 S ATOM 0 H CYS A 26 21.394 -1.567 -13.450 1.00 0.00 H new ATOM 0 HA CYS A 26 21.803 -4.295 -14.142 1.00 0.00 H new ATOM 0 HB2 CYS A 26 21.847 -3.111 -11.860 1.00 0.00 H new ATOM 0 HB3 CYS A 26 20.096 -3.145 -11.918 1.00 0.00 H new ATOM 386 N ASN A 27 19.416 -5.304 -14.388 1.00 0.00 N ATOM 387 CA ASN A 27 18.172 -5.810 -14.931 1.00 0.00 C ATOM 388 C ASN A 27 17.609 -6.890 -14.018 1.00 0.00 C ATOM 389 O ASN A 27 16.766 -7.682 -14.433 1.00 0.00 O ATOM 390 CB ASN A 27 18.417 -6.361 -16.333 1.00 0.00 C ATOM 391 CG ASN A 27 17.251 -6.036 -17.255 1.00 0.00 C ATOM 392 OD1 ASN A 27 17.180 -4.939 -17.805 1.00 0.00 O ATOM 393 ND2 ASN A 27 16.336 -6.993 -17.424 1.00 0.00 N ATOM 0 H ASN A 27 20.035 -6.023 -14.015 1.00 0.00 H new ATOM 0 HA ASN A 27 17.444 -5.001 -14.994 1.00 0.00 H new ATOM 0 HB2 ASN A 27 19.336 -5.938 -16.739 1.00 0.00 H new ATOM 0 HB3 ASN A 27 18.558 -7.441 -16.284 1.00 0.00 H new ATOM 0 HD21 ASN A 27 15.533 -6.830 -18.032 1.00 0.00 H new ATOM 0 HD22 ASN A 27 16.439 -7.888 -16.945 1.00 0.00 H new ATOM 400 N ILE A 28 18.079 -6.920 -12.768 1.00 0.00 N ATOM 401 CA ILE A 28 17.623 -7.898 -11.800 1.00 0.00 C ATOM 402 C ILE A 28 16.725 -7.225 -10.773 1.00 0.00 C ATOM 403 O ILE A 28 16.930 -6.061 -10.433 1.00 0.00 O ATOM 404 CB ILE A 28 18.830 -8.545 -11.126 1.00 0.00 C ATOM 405 CG1 ILE A 28 19.656 -9.292 -12.168 1.00 0.00 C ATOM 406 CG2 ILE A 28 18.349 -9.525 -10.059 1.00 0.00 C ATOM 407 CD1 ILE A 28 20.670 -10.189 -11.464 1.00 0.00 C ATOM 0 H ILE A 28 18.779 -6.270 -12.410 1.00 0.00 H new ATOM 0 HA ILE A 28 17.046 -8.674 -12.303 1.00 0.00 H new ATOM 0 HB ILE A 28 19.445 -7.774 -10.662 1.00 0.00 H new ATOM 0 HG12 ILE A 28 19.004 -9.891 -12.804 1.00 0.00 H new ATOM 0 HG13 ILE A 28 20.170 -8.583 -12.817 1.00 0.00 H new ATOM 0 HG21 ILE A 28 19.209 -9.988 -9.576 1.00 0.00 H new ATOM 0 HG22 ILE A 28 17.759 -8.991 -9.314 1.00 0.00 H new ATOM 0 HG23 ILE A 28 17.735 -10.296 -10.524 1.00 0.00 H new ATOM 0 HD11 ILE A 28 21.261 -10.724 -12.208 1.00 0.00 H new ATOM 0 HD12 ILE A 28 21.329 -9.578 -10.847 1.00 0.00 H new ATOM 0 HD13 ILE A 28 20.145 -10.907 -10.834 1.00 0.00 H new ATOM 419 N THR A 29 15.727 -7.959 -10.276 1.00 0.00 N ATOM 420 CA THR A 29 14.807 -7.428 -9.291 1.00 0.00 C ATOM 421 C THR A 29 14.823 -8.299 -8.043 1.00 0.00 C ATOM 422 O THR A 29 14.243 -9.384 -8.031 1.00 0.00 O ATOM 423 CB THR A 29 13.405 -7.364 -9.888 1.00 0.00 C ATOM 424 OG1 THR A 29 13.427 -6.573 -11.055 1.00 0.00 O ATOM 425 CG2 THR A 29 12.446 -6.747 -8.873 1.00 0.00 C ATOM 0 H THR A 29 15.542 -8.925 -10.546 1.00 0.00 H new ATOM 0 HA THR A 29 15.114 -6.421 -9.009 1.00 0.00 H new ATOM 0 HB THR A 29 13.070 -8.371 -10.137 1.00 0.00 H new ATOM 0 HG1 THR A 29 12.527 -6.533 -11.440 1.00 0.00 H new ATOM 0 HG21 THR A 29 11.444 -6.701 -9.300 1.00 0.00 H new ATOM 0 HG22 THR A 29 12.428 -7.358 -7.971 1.00 0.00 H new ATOM 0 HG23 THR A 29 12.780 -5.740 -8.623 1.00 0.00 H new ATOM 433 N SER A 30 15.490 -7.821 -6.990 1.00 0.00 N ATOM 434 CA SER A 30 15.577 -8.556 -5.744 1.00 0.00 C ATOM 435 C SER A 30 14.496 -8.077 -4.786 1.00 0.00 C ATOM 436 O SER A 30 14.319 -6.875 -4.597 1.00 0.00 O ATOM 437 CB SER A 30 16.964 -8.363 -5.137 1.00 0.00 C ATOM 438 OG SER A 30 17.248 -6.985 -5.045 1.00 0.00 O ATOM 0 H SER A 30 15.976 -6.924 -6.984 1.00 0.00 H new ATOM 0 HA SER A 30 15.422 -9.618 -5.932 1.00 0.00 H new ATOM 0 HB2 SER A 30 17.007 -8.821 -4.149 1.00 0.00 H new ATOM 0 HB3 SER A 30 17.714 -8.860 -5.752 1.00 0.00 H new ATOM 0 HG SER A 30 17.279 -6.597 -5.944 1.00 0.00 H new ATOM 444 N ILE A 31 13.774 -9.021 -4.179 1.00 0.00 N ATOM 445 CA ILE A 31 12.718 -8.695 -3.242 1.00 0.00 C ATOM 446 C ILE A 31 13.318 -8.377 -1.880 1.00 0.00 C ATOM 447 O ILE A 31 14.175 -9.110 -1.391 1.00 0.00 O ATOM 448 CB ILE A 31 11.746 -9.867 -3.145 1.00 0.00 C ATOM 449 CG1 ILE A 31 12.468 -11.161 -3.512 1.00 0.00 C ATOM 450 CG2 ILE A 31 10.582 -9.643 -4.106 1.00 0.00 C ATOM 451 CD1 ILE A 31 12.682 -11.211 -5.022 1.00 0.00 C ATOM 0 H ILE A 31 13.909 -10.021 -4.327 1.00 0.00 H new ATOM 0 HA ILE A 31 12.174 -7.817 -3.591 1.00 0.00 H new ATOM 0 HB ILE A 31 11.367 -9.940 -2.126 1.00 0.00 H new ATOM 0 HG12 ILE A 31 13.427 -11.215 -2.996 1.00 0.00 H new ATOM 0 HG13 ILE A 31 11.883 -12.022 -3.188 1.00 0.00 H new ATOM 0 HG21 ILE A 31 9.887 -10.480 -4.037 1.00 0.00 H new ATOM 0 HG22 ILE A 31 10.065 -8.720 -3.843 1.00 0.00 H new ATOM 0 HG23 ILE A 31 10.961 -9.569 -5.125 1.00 0.00 H new ATOM 0 HD11 ILE A 31 13.198 -12.134 -5.286 1.00 0.00 H new ATOM 0 HD12 ILE A 31 11.717 -11.177 -5.528 1.00 0.00 H new ATOM 0 HD13 ILE A 31 13.285 -10.357 -5.333 1.00 0.00 H new ATOM 463 N CYS A 32 12.866 -7.280 -1.267 1.00 0.00 N ATOM 464 CA CYS A 32 13.359 -6.870 0.033 1.00 0.00 C ATOM 465 C CYS A 32 12.269 -6.119 0.783 1.00 0.00 C ATOM 466 O CYS A 32 12.562 -5.300 1.652 1.00 0.00 O ATOM 467 CB CYS A 32 14.595 -5.995 -0.146 1.00 0.00 C ATOM 468 SG CYS A 32 16.030 -6.876 -0.812 1.00 0.00 S ATOM 0 H CYS A 32 12.155 -6.663 -1.660 1.00 0.00 H new ATOM 0 HA CYS A 32 13.634 -7.748 0.617 1.00 0.00 H new ATOM 0 HB2 CYS A 32 14.349 -5.167 -0.811 1.00 0.00 H new ATOM 0 HB3 CYS A 32 14.863 -5.561 0.817 1.00 0.00 H new ATOM 538 N GLU A 37 16.269 -5.402 4.921 1.00 0.00 N ATOM 539 CA GLU A 37 17.427 -4.732 4.363 1.00 0.00 C ATOM 540 C GLU A 37 16.985 -3.527 3.545 1.00 0.00 C ATOM 541 O GLU A 37 15.815 -3.155 3.563 1.00 0.00 O ATOM 542 CB GLU A 37 18.213 -5.714 3.500 1.00 0.00 C ATOM 543 CG GLU A 37 19.621 -5.873 4.064 1.00 0.00 C ATOM 544 CD GLU A 37 19.833 -7.280 4.607 1.00 0.00 C ATOM 545 OE1 GLU A 37 19.724 -8.224 3.797 1.00 0.00 O ATOM 546 OE2 GLU A 37 20.100 -7.383 5.824 1.00 0.00 O ATOM 0 HA GLU A 37 18.071 -4.379 5.169 1.00 0.00 H new ATOM 0 HB2 GLU A 37 17.708 -6.680 3.477 1.00 0.00 H new ATOM 0 HB3 GLU A 37 18.260 -5.354 2.472 1.00 0.00 H new ATOM 0 HG2 GLU A 37 20.355 -5.665 3.285 1.00 0.00 H new ATOM 0 HG3 GLU A 37 19.784 -5.144 4.858 1.00 0.00 H new ATOM 553 N VAL A 38 17.930 -2.918 2.825 1.00 0.00 N ATOM 554 CA VAL A 38 17.638 -1.760 2.004 1.00 0.00 C ATOM 555 C VAL A 38 18.376 -1.871 0.677 1.00 0.00 C ATOM 556 O VAL A 38 19.213 -2.753 0.502 1.00 0.00 O ATOM 557 CB VAL A 38 18.049 -0.492 2.748 1.00 0.00 C ATOM 558 CG1 VAL A 38 17.064 -0.225 3.881 1.00 0.00 C ATOM 559 CG2 VAL A 38 19.451 -0.673 3.324 1.00 0.00 C ATOM 0 H VAL A 38 18.905 -3.216 2.800 1.00 0.00 H new ATOM 0 HA VAL A 38 16.568 -1.714 1.800 1.00 0.00 H new ATOM 0 HB VAL A 38 18.045 0.352 2.058 1.00 0.00 H new ATOM 0 HG11 VAL A 38 17.357 0.680 4.412 1.00 0.00 H new ATOM 0 HG12 VAL A 38 16.063 -0.096 3.470 1.00 0.00 H new ATOM 0 HG13 VAL A 38 17.067 -1.068 4.572 1.00 0.00 H new ATOM 0 HG21 VAL A 38 19.746 0.232 3.856 1.00 0.00 H new ATOM 0 HG22 VAL A 38 19.455 -1.517 4.014 1.00 0.00 H new ATOM 0 HG23 VAL A 38 20.155 -0.864 2.514 1.00 0.00 H new ATOM 569 N CYS A 39 18.063 -0.971 -0.259 1.00 0.00 N ATOM 570 CA CYS A 39 18.696 -0.970 -1.562 1.00 0.00 C ATOM 571 C CYS A 39 19.956 -0.119 -1.522 1.00 0.00 C ATOM 572 O CYS A 39 19.905 1.052 -1.152 1.00 0.00 O ATOM 573 CB CYS A 39 17.715 -0.438 -2.603 1.00 0.00 C ATOM 574 SG CYS A 39 16.000 -0.948 -2.328 1.00 0.00 S ATOM 0 H CYS A 39 17.370 -0.234 -0.129 1.00 0.00 H new ATOM 0 HA CYS A 39 18.978 -1.987 -1.835 1.00 0.00 H new ATOM 0 HB2 CYS A 39 17.763 0.651 -2.609 1.00 0.00 H new ATOM 0 HB3 CYS A 39 18.030 -0.776 -3.590 1.00 0.00 H new ATOM 579 N ALA A 40 21.090 -0.710 -1.906 1.00 0.00 N ATOM 580 CA ALA A 40 22.356 -0.005 -1.910 1.00 0.00 C ATOM 581 C ALA A 40 23.082 -0.258 -3.224 1.00 0.00 C ATOM 582 O ALA A 40 23.240 -1.405 -3.638 1.00 0.00 O ATOM 583 CB ALA A 40 23.200 -0.470 -0.728 1.00 0.00 C ATOM 0 H ALA A 40 21.148 -1.679 -2.218 1.00 0.00 H new ATOM 0 HA ALA A 40 22.181 1.067 -1.815 1.00 0.00 H new ATOM 0 HB1 ALA A 40 24.153 0.060 -0.730 1.00 0.00 H new ATOM 0 HB2 ALA A 40 22.671 -0.261 0.202 1.00 0.00 H new ATOM 0 HB3 ALA A 40 23.381 -1.542 -0.809 1.00 0.00 H new ATOM 589 N ALA A 41 23.523 0.818 -3.880 1.00 0.00 N ATOM 590 CA ALA A 41 24.227 0.708 -5.143 1.00 0.00 C ATOM 591 C ALA A 41 25.495 1.549 -5.100 1.00 0.00 C ATOM 592 O ALA A 41 25.447 2.734 -4.778 1.00 0.00 O ATOM 593 CB ALA A 41 23.313 1.165 -6.276 1.00 0.00 C ATOM 0 H ALA A 41 23.400 1.775 -3.549 1.00 0.00 H new ATOM 0 HA ALA A 41 24.508 -0.330 -5.318 1.00 0.00 H new ATOM 0 HB1 ALA A 41 23.842 1.083 -7.226 1.00 0.00 H new ATOM 0 HB2 ALA A 41 22.422 0.537 -6.301 1.00 0.00 H new ATOM 0 HB3 ALA A 41 23.021 2.202 -6.112 1.00 0.00 H new ATOM 599 N VAL A 42 26.633 0.932 -5.426 1.00 0.00 N ATOM 600 CA VAL A 42 27.906 1.625 -5.424 1.00 0.00 C ATOM 601 C VAL A 42 28.536 1.550 -6.807 1.00 0.00 C ATOM 602 O VAL A 42 28.706 0.464 -7.358 1.00 0.00 O ATOM 603 CB VAL A 42 28.823 0.998 -4.377 1.00 0.00 C ATOM 604 CG1 VAL A 42 28.714 -0.523 -4.451 1.00 0.00 C ATOM 605 CG2 VAL A 42 30.265 1.418 -4.649 1.00 0.00 C ATOM 0 H VAL A 42 26.690 -0.050 -5.695 1.00 0.00 H new ATOM 0 HA VAL A 42 27.753 2.675 -5.173 1.00 0.00 H new ATOM 0 HB VAL A 42 28.526 1.336 -3.384 1.00 0.00 H new ATOM 0 HG11 VAL A 42 29.369 -0.971 -3.704 1.00 0.00 H new ATOM 0 HG12 VAL A 42 27.684 -0.824 -4.259 1.00 0.00 H new ATOM 0 HG13 VAL A 42 29.011 -0.861 -5.444 1.00 0.00 H new ATOM 0 HG21 VAL A 42 30.921 0.971 -3.902 1.00 0.00 H new ATOM 0 HG22 VAL A 42 30.562 1.079 -5.642 1.00 0.00 H new ATOM 0 HG23 VAL A 42 30.344 2.504 -4.598 1.00 0.00 H new ATOM 615 N TRP A 43 28.883 2.709 -7.371 1.00 0.00 N ATOM 616 CA TRP A 43 29.492 2.765 -8.685 1.00 0.00 C ATOM 617 C TRP A 43 30.941 3.214 -8.565 1.00 0.00 C ATOM 618 O TRP A 43 31.218 4.308 -8.076 1.00 0.00 O ATOM 619 CB TRP A 43 28.700 3.722 -9.571 1.00 0.00 C ATOM 620 CG TRP A 43 29.380 4.107 -10.846 1.00 0.00 C ATOM 621 CD1 TRP A 43 29.163 3.533 -12.049 1.00 0.00 C ATOM 622 CD2 TRP A 43 30.386 5.141 -11.072 1.00 0.00 C ATOM 623 NE1 TRP A 43 29.961 4.137 -12.999 1.00 0.00 N ATOM 624 CE2 TRP A 43 30.737 5.137 -12.449 1.00 0.00 C ATOM 625 CE3 TRP A 43 31.039 6.081 -10.255 1.00 0.00 C ATOM 626 CZ2 TRP A 43 31.682 6.016 -12.987 1.00 0.00 C ATOM 627 CZ3 TRP A 43 31.988 6.968 -10.784 1.00 0.00 C ATOM 628 CH2 TRP A 43 32.311 6.938 -12.145 1.00 0.00 C ATOM 0 H TRP A 43 28.749 3.619 -6.930 1.00 0.00 H new ATOM 0 HA TRP A 43 29.477 1.774 -9.139 1.00 0.00 H new ATOM 0 HB2 TRP A 43 27.741 3.262 -9.812 1.00 0.00 H new ATOM 0 HB3 TRP A 43 28.486 4.627 -9.003 1.00 0.00 H new ATOM 0 HD1 TRP A 43 28.471 2.725 -12.238 1.00 0.00 H new ATOM 0 HE1 TRP A 43 29.976 3.877 -13.985 1.00 0.00 H new ATOM 0 HE3 TRP A 43 30.806 6.121 -9.201 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 31.923 5.983 -14.039 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 32.474 7.681 -10.135 1.00 0.00 H new ATOM 0 HH2 TRP A 43 33.043 7.624 -12.544 1.00 0.00 H new ATOM 639 N ARG A 44 31.868 2.365 -9.015 1.00 0.00 N ATOM 640 CA ARG A 44 33.282 2.675 -8.956 1.00 0.00 C ATOM 641 C ARG A 44 33.820 2.900 -10.363 1.00 0.00 C ATOM 642 O ARG A 44 33.285 2.358 -11.327 1.00 0.00 O ATOM 643 CB ARG A 44 34.025 1.532 -8.271 1.00 0.00 C ATOM 644 CG ARG A 44 33.031 0.678 -7.488 1.00 0.00 C ATOM 645 CD ARG A 44 33.730 -0.582 -6.984 1.00 0.00 C ATOM 646 NE ARG A 44 33.796 -1.601 -8.032 1.00 0.00 N ATOM 647 CZ ARG A 44 34.902 -2.316 -8.280 1.00 0.00 C ATOM 648 NH1 ARG A 44 36.009 -2.112 -7.554 1.00 0.00 N ATOM 649 NH2 ARG A 44 34.900 -3.235 -9.256 1.00 0.00 N ATOM 0 H ARG A 44 31.654 1.456 -9.425 1.00 0.00 H new ATOM 0 HA ARG A 44 33.434 3.587 -8.379 1.00 0.00 H new ATOM 0 HB2 ARG A 44 34.540 0.922 -9.013 1.00 0.00 H new ATOM 0 HB3 ARG A 44 34.787 1.929 -7.601 1.00 0.00 H new ATOM 0 HG2 ARG A 44 32.630 1.245 -6.648 1.00 0.00 H new ATOM 0 HG3 ARG A 44 32.187 0.409 -8.123 1.00 0.00 H new ATOM 0 HD2 ARG A 44 34.737 -0.334 -6.649 1.00 0.00 H new ATOM 0 HD3 ARG A 44 33.196 -0.978 -6.120 1.00 0.00 H new ATOM 0 HE ARG A 44 32.965 -1.774 -8.598 1.00 0.00 H new ATOM 0 HH11 ARG A 44 36.010 -1.412 -6.812 1.00 0.00 H new ATOM 0 HH12 ARG A 44 36.850 -2.657 -7.743 1.00 0.00 H new ATOM 0 HH21 ARG A 44 34.057 -3.390 -9.809 1.00 0.00 H new ATOM 0 HH22 ARG A 44 35.741 -3.780 -9.445 1.00 0.00 H new ATOM 663 N ARG A 45 34.880 3.703 -10.476 1.00 0.00 N ATOM 664 CA ARG A 45 35.483 3.995 -11.762 1.00 0.00 C ATOM 665 C ARG A 45 36.998 4.039 -11.622 1.00 0.00 C ATOM 666 O ARG A 45 37.544 4.976 -11.044 1.00 0.00 O ATOM 667 CB ARG A 45 34.949 5.327 -12.281 1.00 0.00 C ATOM 668 CG ARG A 45 35.237 6.423 -11.258 1.00 0.00 C ATOM 669 CD ARG A 45 36.164 7.465 -11.877 1.00 0.00 C ATOM 670 NE ARG A 45 37.488 7.425 -11.256 1.00 0.00 N ATOM 671 CZ ARG A 45 38.394 8.401 -11.415 1.00 0.00 C ATOM 672 NH1 ARG A 45 38.103 9.470 -12.168 1.00 0.00 N ATOM 673 NH2 ARG A 45 39.591 8.306 -10.821 1.00 0.00 N ATOM 0 H ARG A 45 35.334 4.160 -9.685 1.00 0.00 H new ATOM 0 HA ARG A 45 35.226 3.212 -12.476 1.00 0.00 H new ATOM 0 HB2 ARG A 45 35.417 5.572 -13.234 1.00 0.00 H new ATOM 0 HB3 ARG A 45 33.876 5.256 -12.462 1.00 0.00 H new ATOM 0 HG2 ARG A 45 34.306 6.892 -10.940 1.00 0.00 H new ATOM 0 HG3 ARG A 45 35.698 5.993 -10.369 1.00 0.00 H new ATOM 0 HD2 ARG A 45 36.255 7.285 -12.948 1.00 0.00 H new ATOM 0 HD3 ARG A 45 35.732 8.458 -11.757 1.00 0.00 H new ATOM 0 HE ARG A 45 37.732 6.621 -10.678 1.00 0.00 H new ATOM 0 HH11 ARG A 45 37.192 9.542 -12.621 1.00 0.00 H new ATOM 0 HH12 ARG A 45 38.793 10.212 -12.288 1.00 0.00 H new ATOM 0 HH21 ARG A 45 39.813 7.492 -10.248 1.00 0.00 H new ATOM 0 HH22 ARG A 45 40.280 9.048 -10.942 1.00 0.00 H new ATOM 687 N ASN A 46 37.678 3.020 -12.155 1.00 0.00 N ATOM 688 CA ASN A 46 39.124 2.950 -12.087 1.00 0.00 C ATOM 689 C ASN A 46 39.718 3.150 -13.475 1.00 0.00 C ATOM 690 O ASN A 46 39.294 2.510 -14.434 1.00 0.00 O ATOM 691 CB ASN A 46 39.538 1.599 -11.512 1.00 0.00 C ATOM 692 CG ASN A 46 38.900 0.457 -12.290 1.00 0.00 C ATOM 693 OD1 ASN A 46 37.987 -0.200 -11.796 1.00 0.00 O ATOM 694 ND2 ASN A 46 39.383 0.223 -13.513 1.00 0.00 N ATOM 0 H ASN A 46 37.241 2.235 -12.638 1.00 0.00 H new ATOM 0 HA ASN A 46 39.500 3.740 -11.437 1.00 0.00 H new ATOM 0 HB2 ASN A 46 40.623 1.504 -11.543 1.00 0.00 H new ATOM 0 HB3 ASN A 46 39.243 1.540 -10.464 1.00 0.00 H new ATOM 0 HD21 ASN A 46 38.992 -0.529 -14.080 1.00 0.00 H new ATOM 0 HD22 ASN A 46 40.143 0.797 -13.880 1.00 0.00 H new ATOM 701 N ASP A 47 40.704 4.043 -13.577 1.00 0.00 N ATOM 702 CA ASP A 47 41.352 4.325 -14.842 1.00 0.00 C ATOM 703 C ASP A 47 40.310 4.401 -15.948 1.00 0.00 C ATOM 704 O ASP A 47 39.655 5.428 -16.117 1.00 0.00 O ATOM 705 CB ASP A 47 42.378 3.235 -15.141 1.00 0.00 C ATOM 706 CG ASP A 47 43.791 3.803 -15.134 1.00 0.00 C ATOM 707 OD1 ASP A 47 44.191 4.341 -16.189 1.00 0.00 O ATOM 708 OD2 ASP A 47 44.444 3.689 -14.074 1.00 0.00 O ATOM 0 H ASP A 47 41.067 4.581 -12.790 1.00 0.00 H new ATOM 0 HA ASP A 47 41.866 5.285 -14.786 1.00 0.00 H new ATOM 0 HB2 ASP A 47 42.297 2.441 -14.399 1.00 0.00 H new ATOM 0 HB3 ASP A 47 42.166 2.787 -16.112 1.00 0.00 H new ATOM 713 N GLU A 48 40.156 3.311 -16.703 1.00 0.00 N ATOM 714 CA GLU A 48 39.194 3.264 -17.786 1.00 0.00 C ATOM 715 C GLU A 48 38.244 2.091 -17.587 1.00 0.00 C ATOM 716 O GLU A 48 37.562 1.674 -18.519 1.00 0.00 O ATOM 717 CB GLU A 48 39.933 3.141 -19.116 1.00 0.00 C ATOM 718 CG GLU A 48 40.811 4.371 -19.326 1.00 0.00 C ATOM 719 CD GLU A 48 41.110 4.579 -20.803 1.00 0.00 C ATOM 720 OE1 GLU A 48 40.208 5.098 -21.497 1.00 0.00 O ATOM 721 OE2 GLU A 48 42.234 4.217 -21.212 1.00 0.00 O ATOM 0 H GLU A 48 40.691 2.451 -16.577 1.00 0.00 H new ATOM 0 HA GLU A 48 38.606 4.182 -17.793 1.00 0.00 H new ATOM 0 HB2 GLU A 48 40.545 2.239 -19.122 1.00 0.00 H new ATOM 0 HB3 GLU A 48 39.219 3.047 -19.934 1.00 0.00 H new ATOM 0 HG2 GLU A 48 40.311 5.252 -18.924 1.00 0.00 H new ATOM 0 HG3 GLU A 48 41.744 4.255 -18.775 1.00 0.00 H new ATOM 728 N ASN A 49 38.202 1.560 -16.362 1.00 0.00 N ATOM 729 CA ASN A 49 37.337 0.441 -16.046 1.00 0.00 C ATOM 730 C ASN A 49 36.374 0.828 -14.932 1.00 0.00 C ATOM 731 O ASN A 49 36.730 0.787 -13.757 1.00 0.00 O ATOM 732 CB ASN A 49 38.188 -0.757 -15.632 1.00 0.00 C ATOM 733 CG ASN A 49 38.031 -1.902 -16.621 1.00 0.00 C ATOM 734 OD1 ASN A 49 38.136 -1.701 -17.829 1.00 0.00 O ATOM 735 ND2 ASN A 49 37.779 -3.107 -16.106 1.00 0.00 N ATOM 0 H ASN A 49 38.762 1.894 -15.577 1.00 0.00 H new ATOM 0 HA ASN A 49 36.752 0.170 -16.925 1.00 0.00 H new ATOM 0 HB2 ASN A 49 39.236 -0.462 -15.575 1.00 0.00 H new ATOM 0 HB3 ASN A 49 37.896 -1.089 -14.636 1.00 0.00 H new ATOM 0 HD21 ASN A 49 37.665 -3.911 -16.723 1.00 0.00 H new ATOM 0 HD22 ASN A 49 37.701 -3.224 -15.096 1.00 0.00 H new ATOM 742 N VAL A 50 35.149 1.204 -15.307 1.00 0.00 N ATOM 743 CA VAL A 50 34.141 1.597 -14.344 1.00 0.00 C ATOM 744 C VAL A 50 33.198 0.430 -14.081 1.00 0.00 C ATOM 745 O VAL A 50 32.607 -0.114 -15.011 1.00 0.00 O ATOM 746 CB VAL A 50 33.373 2.803 -14.873 1.00 0.00 C ATOM 747 CG1 VAL A 50 32.234 3.144 -13.917 1.00 0.00 C ATOM 748 CG2 VAL A 50 34.317 3.997 -14.985 1.00 0.00 C ATOM 0 H VAL A 50 34.839 1.242 -16.278 1.00 0.00 H new ATOM 0 HA VAL A 50 34.619 1.873 -13.404 1.00 0.00 H new ATOM 0 HB VAL A 50 32.963 2.569 -15.855 1.00 0.00 H new ATOM 0 HG11 VAL A 50 31.686 4.006 -14.297 1.00 0.00 H new ATOM 0 HG12 VAL A 50 31.559 2.292 -13.837 1.00 0.00 H new ATOM 0 HG13 VAL A 50 32.642 3.378 -12.934 1.00 0.00 H new ATOM 0 HG21 VAL A 50 33.769 4.860 -15.363 1.00 0.00 H new ATOM 0 HG22 VAL A 50 34.727 4.230 -14.002 1.00 0.00 H new ATOM 0 HG23 VAL A 50 35.130 3.755 -15.670 1.00 0.00 H new ATOM 758 N THR A 51 33.059 0.046 -12.811 1.00 0.00 N ATOM 759 CA THR A 51 32.189 -1.051 -12.437 1.00 0.00 C ATOM 760 C THR A 51 31.117 -0.558 -11.476 1.00 0.00 C ATOM 761 O THR A 51 31.387 0.270 -10.610 1.00 0.00 O ATOM 762 CB THR A 51 33.019 -2.161 -11.799 1.00 0.00 C ATOM 763 OG1 THR A 51 33.029 -1.994 -10.399 1.00 0.00 O ATOM 764 CG2 THR A 51 34.448 -2.098 -12.329 1.00 0.00 C ATOM 0 H THR A 51 33.543 0.485 -12.028 1.00 0.00 H new ATOM 0 HA THR A 51 31.696 -1.447 -13.325 1.00 0.00 H new ATOM 0 HB THR A 51 32.583 -3.129 -12.047 1.00 0.00 H new ATOM 0 HG1 THR A 51 33.113 -1.042 -10.184 1.00 0.00 H new ATOM 0 HG21 THR A 51 35.041 -2.891 -11.873 1.00 0.00 H new ATOM 0 HG22 THR A 51 34.441 -2.227 -13.411 1.00 0.00 H new ATOM 0 HG23 THR A 51 34.885 -1.131 -12.082 1.00 0.00 H new ATOM 772 N LEU A 52 29.895 -1.072 -11.633 1.00 0.00 N ATOM 773 CA LEU A 52 28.787 -0.686 -10.782 1.00 0.00 C ATOM 774 C LEU A 52 28.190 -1.919 -10.119 1.00 0.00 C ATOM 775 O LEU A 52 27.965 -2.933 -10.776 1.00 0.00 O ATOM 776 CB LEU A 52 27.736 0.043 -11.614 1.00 0.00 C ATOM 777 CG LEU A 52 26.874 0.909 -10.700 1.00 0.00 C ATOM 778 CD1 LEU A 52 26.194 1.999 -11.524 1.00 0.00 C ATOM 779 CD2 LEU A 52 25.814 0.041 -10.029 1.00 0.00 C ATOM 0 H LEU A 52 29.656 -1.759 -12.348 1.00 0.00 H new ATOM 0 HA LEU A 52 29.142 -0.014 -10.000 1.00 0.00 H new ATOM 0 HB2 LEU A 52 28.220 0.662 -12.369 1.00 0.00 H new ATOM 0 HB3 LEU A 52 27.113 -0.677 -12.144 1.00 0.00 H new ATOM 0 HG LEU A 52 27.502 1.370 -9.937 1.00 0.00 H new ATOM 0 HD11 LEU A 52 25.578 2.618 -10.871 1.00 0.00 H new ATOM 0 HD12 LEU A 52 26.952 2.619 -12.003 1.00 0.00 H new ATOM 0 HD13 LEU A 52 25.566 1.540 -12.287 1.00 0.00 H new ATOM 0 HD21 LEU A 52 25.198 0.659 -9.376 1.00 0.00 H new ATOM 0 HD22 LEU A 52 25.186 -0.420 -10.791 1.00 0.00 H new ATOM 0 HD23 LEU A 52 26.300 -0.737 -9.440 1.00 0.00 H new ATOM 791 N GLU A 53 27.932 -1.831 -8.812 1.00 0.00 N ATOM 792 CA GLU A 53 27.362 -2.938 -8.071 1.00 0.00 C ATOM 793 C GLU A 53 26.023 -2.527 -7.472 1.00 0.00 C ATOM 794 O GLU A 53 25.877 -1.414 -6.974 1.00 0.00 O ATOM 795 CB GLU A 53 28.334 -3.369 -6.977 1.00 0.00 C ATOM 796 CG GLU A 53 28.222 -4.876 -6.763 1.00 0.00 C ATOM 797 CD GLU A 53 28.993 -5.308 -5.525 1.00 0.00 C ATOM 798 OE1 GLU A 53 29.177 -4.443 -4.640 1.00 0.00 O ATOM 799 OE2 GLU A 53 29.387 -6.494 -5.485 1.00 0.00 O ATOM 0 H GLU A 53 28.113 -0.998 -8.251 1.00 0.00 H new ATOM 0 HA GLU A 53 27.192 -3.780 -8.742 1.00 0.00 H new ATOM 0 HB2 GLU A 53 29.354 -3.105 -7.257 1.00 0.00 H new ATOM 0 HB3 GLU A 53 28.112 -2.841 -6.049 1.00 0.00 H new ATOM 0 HG2 GLU A 53 27.174 -5.156 -6.659 1.00 0.00 H new ATOM 0 HG3 GLU A 53 28.607 -5.401 -7.637 1.00 0.00 H new ATOM 806 N THR A 54 25.045 -3.434 -7.522 1.00 0.00 N ATOM 807 CA THR A 54 23.727 -3.161 -6.984 1.00 0.00 C ATOM 808 C THR A 54 23.218 -4.375 -6.221 1.00 0.00 C ATOM 809 O THR A 54 23.200 -5.484 -6.750 1.00 0.00 O ATOM 810 CB THR A 54 22.778 -2.802 -8.124 1.00 0.00 C ATOM 811 OG1 THR A 54 23.519 -2.603 -9.307 1.00 0.00 O ATOM 812 CG2 THR A 54 22.024 -1.523 -7.773 1.00 0.00 C ATOM 0 H THR A 54 25.149 -4.362 -7.932 1.00 0.00 H new ATOM 0 HA THR A 54 23.780 -2.320 -6.293 1.00 0.00 H new ATOM 0 HB THR A 54 22.066 -3.613 -8.275 1.00 0.00 H new ATOM 0 HG1 THR A 54 23.712 -3.470 -9.722 1.00 0.00 H new ATOM 0 HG21 THR A 54 21.346 -1.266 -8.587 1.00 0.00 H new ATOM 0 HG22 THR A 54 21.451 -1.678 -6.858 1.00 0.00 H new ATOM 0 HG23 THR A 54 22.735 -0.711 -7.623 1.00 0.00 H new ATOM 820 N ILE A 55 22.803 -4.161 -4.970 1.00 0.00 N ATOM 821 CA ILE A 55 22.293 -5.233 -4.137 1.00 0.00 C ATOM 822 C ILE A 55 21.667 -4.653 -2.877 1.00 0.00 C ATOM 823 O ILE A 55 21.881 -3.487 -2.557 1.00 0.00 O ATOM 824 CB ILE A 55 23.431 -6.189 -3.787 1.00 0.00 C ATOM 825 CG1 ILE A 55 24.748 -5.420 -3.750 1.00 0.00 C ATOM 826 CG2 ILE A 55 23.513 -7.289 -4.841 1.00 0.00 C ATOM 827 CD1 ILE A 55 24.607 -4.214 -2.825 1.00 0.00 C ATOM 0 H ILE A 55 22.814 -3.247 -4.517 1.00 0.00 H new ATOM 0 HA ILE A 55 21.525 -5.786 -4.678 1.00 0.00 H new ATOM 0 HB ILE A 55 23.244 -6.635 -2.810 1.00 0.00 H new ATOM 0 HG12 ILE A 55 25.551 -6.069 -3.399 1.00 0.00 H new ATOM 0 HG13 ILE A 55 25.018 -5.092 -4.754 1.00 0.00 H new ATOM 0 HG21 ILE A 55 24.325 -7.972 -4.592 1.00 0.00 H new ATOM 0 HG22 ILE A 55 22.572 -7.839 -4.867 1.00 0.00 H new ATOM 0 HG23 ILE A 55 23.700 -6.844 -5.818 1.00 0.00 H new ATOM 0 HD11 ILE A 55 25.548 -3.664 -2.798 1.00 0.00 H new ATOM 0 HD12 ILE A 55 23.816 -3.562 -3.195 1.00 0.00 H new ATOM 0 HD13 ILE A 55 24.356 -4.554 -1.820 1.00 0.00 H new ATOM 839 N CYS A 56 20.892 -5.472 -2.163 1.00 0.00 N ATOM 840 CA CYS A 56 20.239 -5.037 -0.944 1.00 0.00 C ATOM 841 C CYS A 56 21.235 -5.055 0.208 1.00 0.00 C ATOM 842 O CYS A 56 21.300 -6.023 0.961 1.00 0.00 O ATOM 843 CB CYS A 56 19.054 -5.951 -0.648 1.00 0.00 C ATOM 844 SG CYS A 56 17.472 -5.328 -1.268 1.00 0.00 S ATOM 0 H CYS A 56 20.706 -6.442 -2.416 1.00 0.00 H new ATOM 0 HA CYS A 56 19.872 -4.018 -1.067 1.00 0.00 H new ATOM 0 HB2 CYS A 56 19.245 -6.930 -1.087 1.00 0.00 H new ATOM 0 HB3 CYS A 56 18.979 -6.094 0.430 1.00 0.00 H new ATOM 849 N HIS A 57 22.014 -3.979 0.342 1.00 0.00 N ATOM 850 CA HIS A 57 23.003 -3.882 1.398 1.00 0.00 C ATOM 851 C HIS A 57 22.477 -2.997 2.520 1.00 0.00 C ATOM 852 O HIS A 57 21.634 -2.133 2.292 1.00 0.00 O ATOM 853 CB HIS A 57 24.300 -3.317 0.828 1.00 0.00 C ATOM 854 CG HIS A 57 25.309 -2.991 1.894 1.00 0.00 C ATOM 855 ND1 HIS A 57 26.220 -3.865 2.444 1.00 0.00 N ATOM 856 CD2 HIS A 57 25.487 -1.773 2.493 1.00 0.00 C ATOM 857 CE1 HIS A 57 26.931 -3.180 3.358 1.00 0.00 C ATOM 858 NE2 HIS A 57 26.523 -1.902 3.424 1.00 0.00 N ATOM 0 H HIS A 57 21.973 -3.166 -0.273 1.00 0.00 H new ATOM 0 HA HIS A 57 23.201 -4.873 1.807 1.00 0.00 H new ATOM 0 HB2 HIS A 57 24.731 -4.038 0.134 1.00 0.00 H new ATOM 0 HB3 HIS A 57 24.078 -2.416 0.256 1.00 0.00 H new ATOM 0 HD2 HIS A 57 24.927 -0.873 2.284 1.00 0.00 H new ATOM 0 HE1 HIS A 57 27.724 -3.601 3.958 1.00 0.00 H new ATOM 0 HE2 HIS A 57 26.894 -1.172 4.031 1.00 0.00 H new ATOM 866 N ASP A 58 22.979 -3.217 3.738 1.00 0.00 N ATOM 867 CA ASP A 58 22.558 -2.444 4.889 1.00 0.00 C ATOM 868 C ASP A 58 23.558 -1.326 5.150 1.00 0.00 C ATOM 869 O ASP A 58 24.764 -1.559 5.160 1.00 0.00 O ATOM 870 CB ASP A 58 22.443 -3.361 6.103 1.00 0.00 C ATOM 871 CG ASP A 58 21.148 -3.103 6.859 1.00 0.00 C ATOM 872 OD1 ASP A 58 21.073 -2.038 7.509 1.00 0.00 O ATOM 873 OD2 ASP A 58 20.256 -3.975 6.772 1.00 0.00 O ATOM 0 H ASP A 58 23.680 -3.929 3.944 1.00 0.00 H new ATOM 0 HA ASP A 58 21.583 -1.997 4.696 1.00 0.00 H new ATOM 0 HB2 ASP A 58 22.480 -4.402 5.782 1.00 0.00 H new ATOM 0 HB3 ASP A 58 23.293 -3.202 6.766 1.00 0.00 H new ATOM 878 N PRO A 59 23.053 -0.108 5.362 1.00 0.00 N ATOM 879 CA PRO A 59 23.849 1.071 5.626 1.00 0.00 C ATOM 880 C PRO A 59 24.429 0.989 7.032 1.00 0.00 C ATOM 881 O PRO A 59 24.675 2.014 7.664 1.00 0.00 O ATOM 882 CB PRO A 59 22.873 2.239 5.504 1.00 0.00 C ATOM 883 CG PRO A 59 21.544 1.615 5.929 1.00 0.00 C ATOM 884 CD PRO A 59 21.639 0.202 5.357 1.00 0.00 C ATOM 0 HA PRO A 59 24.689 1.179 4.940 1.00 0.00 H new ATOM 0 HB2 PRO A 59 23.154 3.071 6.150 1.00 0.00 H new ATOM 0 HB3 PRO A 59 22.831 2.626 4.486 1.00 0.00 H new ATOM 0 HG2 PRO A 59 21.429 1.606 7.013 1.00 0.00 H new ATOM 0 HG3 PRO A 59 20.692 2.160 5.522 1.00 0.00 H new ATOM 0 HD2 PRO A 59 21.077 -0.508 5.963 1.00 0.00 H new ATOM 0 HD3 PRO A 59 21.228 0.156 4.349 1.00 0.00 H new ATOM 892 N GLN A 60 24.645 -0.234 7.521 1.00 0.00 N ATOM 893 CA GLN A 60 25.191 -0.442 8.846 1.00 0.00 C ATOM 894 C GLN A 60 26.679 -0.750 8.750 1.00 0.00 C ATOM 895 O GLN A 60 27.486 -0.160 9.465 1.00 0.00 O ATOM 896 CB GLN A 60 24.444 -1.584 9.529 1.00 0.00 C ATOM 897 CG GLN A 60 24.591 -1.457 11.042 1.00 0.00 C ATOM 898 CD GLN A 60 23.326 -1.918 11.751 1.00 0.00 C ATOM 899 OE1 GLN A 60 23.222 -3.076 12.151 1.00 0.00 O ATOM 900 NE2 GLN A 60 22.362 -1.008 11.905 1.00 0.00 N ATOM 0 H GLN A 60 24.446 -1.094 7.009 1.00 0.00 H new ATOM 0 HA GLN A 60 25.067 0.463 9.441 1.00 0.00 H new ATOM 0 HB2 GLN A 60 23.390 -1.560 9.252 1.00 0.00 H new ATOM 0 HB3 GLN A 60 24.840 -2.543 9.194 1.00 0.00 H new ATOM 0 HG2 GLN A 60 25.440 -2.052 11.380 1.00 0.00 H new ATOM 0 HG3 GLN A 60 24.803 -0.421 11.305 1.00 0.00 H new ATOM 0 HE21 GLN A 60 22.496 -0.059 11.555 1.00 0.00 H new ATOM 0 HE22 GLN A 60 21.491 -1.261 12.372 1.00 0.00 H new ATOM 909 N LYS A 61 27.040 -1.679 7.861 1.00 0.00 N ATOM 910 CA LYS A 61 28.426 -2.059 7.677 1.00 0.00 C ATOM 911 C LYS A 61 29.101 -1.103 6.705 1.00 0.00 C ATOM 912 O LYS A 61 28.430 -0.402 5.951 1.00 0.00 O ATOM 913 CB LYS A 61 28.494 -3.494 7.159 1.00 0.00 C ATOM 914 CG LYS A 61 27.364 -4.312 7.776 1.00 0.00 C ATOM 915 CD LYS A 61 26.369 -4.708 6.690 1.00 0.00 C ATOM 916 CE LYS A 61 26.955 -5.842 5.853 1.00 0.00 C ATOM 917 NZ LYS A 61 26.020 -6.974 5.769 1.00 0.00 N ATOM 0 H LYS A 61 26.383 -2.178 7.260 1.00 0.00 H new ATOM 0 HA LYS A 61 28.951 -2.004 8.631 1.00 0.00 H new ATOM 0 HB2 LYS A 61 28.413 -3.504 6.072 1.00 0.00 H new ATOM 0 HB3 LYS A 61 29.457 -3.937 7.411 1.00 0.00 H new ATOM 0 HG2 LYS A 61 27.767 -5.203 8.257 1.00 0.00 H new ATOM 0 HG3 LYS A 61 26.862 -3.732 8.550 1.00 0.00 H new ATOM 0 HD2 LYS A 61 25.428 -5.023 7.141 1.00 0.00 H new ATOM 0 HD3 LYS A 61 26.147 -3.850 6.055 1.00 0.00 H new ATOM 0 HE2 LYS A 61 27.182 -5.479 4.851 1.00 0.00 H new ATOM 0 HE3 LYS A 61 27.895 -6.175 6.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 26.442 -7.731 5.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 25.823 -7.333 6.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 25.132 -6.659 5.328 1.00 0.00 H new ATOM 931 N ARG A 62 30.435 -1.074 6.726 1.00 0.00 N ATOM 932 CA ARG A 62 31.195 -0.204 5.850 1.00 0.00 C ATOM 933 C ARG A 62 31.505 -0.927 4.547 1.00 0.00 C ATOM 934 O ARG A 62 32.116 -1.993 4.556 1.00 0.00 O ATOM 935 CB ARG A 62 32.483 0.222 6.551 1.00 0.00 C ATOM 936 CG ARG A 62 32.208 1.445 7.421 1.00 0.00 C ATOM 937 CD ARG A 62 31.057 1.141 8.376 1.00 0.00 C ATOM 938 NE ARG A 62 31.354 1.619 9.726 1.00 0.00 N ATOM 939 CZ ARG A 62 30.419 1.732 10.679 1.00 0.00 C ATOM 940 NH1 ARG A 62 29.148 1.400 10.412 1.00 0.00 N ATOM 941 NH2 ARG A 62 30.753 2.178 11.897 1.00 0.00 N ATOM 0 H ARG A 62 31.006 -1.649 7.346 1.00 0.00 H new ATOM 0 HA ARG A 62 30.610 0.686 5.618 1.00 0.00 H new ATOM 0 HB2 ARG A 62 32.864 -0.595 7.164 1.00 0.00 H new ATOM 0 HB3 ARG A 62 33.252 0.452 5.814 1.00 0.00 H new ATOM 0 HG2 ARG A 62 33.102 1.712 7.985 1.00 0.00 H new ATOM 0 HG3 ARG A 62 31.959 2.302 6.795 1.00 0.00 H new ATOM 0 HD2 ARG A 62 30.144 1.613 8.012 1.00 0.00 H new ATOM 0 HD3 ARG A 62 30.873 0.067 8.399 1.00 0.00 H new ATOM 0 HE ARG A 62 32.315 1.878 9.952 1.00 0.00 H new ATOM 0 HH11 ARG A 62 28.893 1.062 9.484 1.00 0.00 H new ATOM 0 HH12 ARG A 62 28.435 1.486 11.137 1.00 0.00 H new ATOM 0 HH21 ARG A 62 31.720 2.432 12.100 1.00 0.00 H new ATOM 0 HH22 ARG A 62 30.040 2.264 12.622 1.00 0.00 H new ATOM 955 N LEU A 63 31.080 -0.343 3.424 1.00 0.00 N ATOM 956 CA LEU A 63 31.313 -0.932 2.120 1.00 0.00 C ATOM 957 C LEU A 63 32.483 -0.236 1.441 1.00 0.00 C ATOM 958 O LEU A 63 32.489 0.986 1.306 1.00 0.00 O ATOM 959 CB LEU A 63 30.048 -0.812 1.276 1.00 0.00 C ATOM 960 CG LEU A 63 30.345 -1.265 -0.152 1.00 0.00 C ATOM 961 CD1 LEU A 63 29.732 -2.643 -0.386 1.00 0.00 C ATOM 962 CD2 LEU A 63 29.745 -0.267 -1.137 1.00 0.00 C ATOM 0 H LEU A 63 30.571 0.541 3.401 1.00 0.00 H new ATOM 0 HA LEU A 63 31.560 -1.988 2.232 1.00 0.00 H new ATOM 0 HB2 LEU A 63 29.253 -1.422 1.705 1.00 0.00 H new ATOM 0 HB3 LEU A 63 29.694 0.219 1.276 1.00 0.00 H new ATOM 0 HG LEU A 63 31.424 -1.317 -0.300 1.00 0.00 H new ATOM 0 HD11 LEU A 63 29.944 -2.967 -1.405 1.00 0.00 H new ATOM 0 HD12 LEU A 63 30.161 -3.356 0.318 1.00 0.00 H new ATOM 0 HD13 LEU A 63 28.653 -2.591 -0.238 1.00 0.00 H new ATOM 0 HD21 LEU A 63 29.957 -0.590 -2.156 1.00 0.00 H new ATOM 0 HD22 LEU A 63 28.666 -0.214 -0.990 1.00 0.00 H new ATOM 0 HD23 LEU A 63 30.183 0.717 -0.970 1.00 0.00 H new ATOM 974 N TYR A 64 33.476 -1.017 1.011 1.00 0.00 N ATOM 975 CA TYR A 64 34.646 -0.472 0.350 1.00 0.00 C ATOM 976 C TYR A 64 35.224 0.665 1.180 1.00 0.00 C ATOM 977 O TYR A 64 35.928 1.525 0.654 1.00 0.00 O ATOM 978 CB TYR A 64 34.258 0.016 -1.043 1.00 0.00 C ATOM 979 CG TYR A 64 33.586 -1.040 -1.887 1.00 0.00 C ATOM 980 CD1 TYR A 64 34.249 -2.243 -2.162 1.00 0.00 C ATOM 981 CD2 TYR A 64 32.300 -0.817 -2.394 1.00 0.00 C ATOM 982 CE1 TYR A 64 33.624 -3.223 -2.944 1.00 0.00 C ATOM 983 CE2 TYR A 64 31.677 -1.797 -3.176 1.00 0.00 C ATOM 984 CZ TYR A 64 32.339 -2.999 -3.452 1.00 0.00 C ATOM 985 OH TYR A 64 31.732 -3.953 -4.215 1.00 0.00 O ATOM 0 H TYR A 64 33.486 -2.032 1.113 1.00 0.00 H new ATOM 0 HA TYR A 64 35.408 -1.245 0.251 1.00 0.00 H new ATOM 0 HB2 TYR A 64 33.590 0.872 -0.946 1.00 0.00 H new ATOM 0 HB3 TYR A 64 35.152 0.367 -1.558 1.00 0.00 H new ATOM 0 HD1 TYR A 64 35.241 -2.415 -1.771 1.00 0.00 H new ATOM 0 HD2 TYR A 64 31.789 0.110 -2.182 1.00 0.00 H new ATOM 0 HE1 TYR A 64 34.134 -4.152 -3.155 1.00 0.00 H new ATOM 0 HE2 TYR A 64 30.685 -1.625 -3.567 1.00 0.00 H new ATOM 0 HH TYR A 64 30.779 -3.742 -4.306 1.00 0.00 H new ATOM 995 N GLY A 65 34.925 0.669 2.480 1.00 0.00 N ATOM 996 CA GLY A 65 35.417 1.700 3.371 1.00 0.00 C ATOM 997 C GLY A 65 34.553 2.949 3.261 1.00 0.00 C ATOM 998 O GLY A 65 34.992 4.046 3.600 1.00 0.00 O ATOM 0 H GLY A 65 34.342 -0.036 2.932 1.00 0.00 H new ATOM 0 HA2 GLY A 65 35.412 1.335 4.398 1.00 0.00 H new ATOM 0 HA3 GLY A 65 36.451 1.941 3.123 1.00 0.00 H new ATOM 1002 N HIS A 66 33.318 2.779 2.785 1.00 0.00 N ATOM 1003 CA HIS A 66 32.401 3.891 2.630 1.00 0.00 C ATOM 1004 C HIS A 66 31.184 3.688 3.521 1.00 0.00 C ATOM 1005 O HIS A 66 30.443 2.721 3.357 1.00 0.00 O ATOM 1006 CB HIS A 66 31.986 4.006 1.165 1.00 0.00 C ATOM 1007 CG HIS A 66 33.155 3.930 0.223 1.00 0.00 C ATOM 1008 ND1 HIS A 66 34.485 3.982 0.574 1.00 0.00 N ATOM 1009 CD2 HIS A 66 33.089 3.795 -1.137 1.00 0.00 C ATOM 1010 CE1 HIS A 66 35.202 3.881 -0.560 1.00 0.00 C ATOM 1011 NE2 HIS A 66 34.397 3.765 -1.628 1.00 0.00 N ATOM 0 H HIS A 66 32.937 1.876 2.502 1.00 0.00 H new ATOM 0 HA HIS A 66 32.893 4.816 2.929 1.00 0.00 H new ATOM 0 HB2 HIS A 66 31.281 3.209 0.928 1.00 0.00 H new ATOM 0 HB3 HIS A 66 31.463 4.950 1.013 1.00 0.00 H new ATOM 0 HD1 HIS A 66 34.858 4.079 1.518 1.00 0.00 H new ATOM 0 HD2 HIS A 66 32.187 3.724 -1.726 1.00 0.00 H new ATOM 0 HE1 HIS A 66 36.281 3.892 -0.605 1.00 0.00 H new ATOM 1019 N MET A 67 30.977 4.606 4.469 1.00 0.00 N ATOM 1020 CA MET A 67 29.854 4.521 5.380 1.00 0.00 C ATOM 1021 C MET A 67 28.707 5.381 4.868 1.00 0.00 C ATOM 1022 O MET A 67 28.818 6.604 4.813 1.00 0.00 O ATOM 1023 CB MET A 67 30.292 4.977 6.769 1.00 0.00 C ATOM 1024 CG MET A 67 29.309 4.451 7.811 1.00 0.00 C ATOM 1025 SD MET A 67 29.986 4.373 9.487 1.00 0.00 S ATOM 1026 CE MET A 67 29.573 6.045 10.044 1.00 0.00 C ATOM 0 H MET A 67 31.580 5.415 4.618 1.00 0.00 H new ATOM 0 HA MET A 67 29.509 3.489 5.442 1.00 0.00 H new ATOM 0 HB2 MET A 67 31.296 4.611 6.984 1.00 0.00 H new ATOM 0 HB3 MET A 67 30.334 6.065 6.810 1.00 0.00 H new ATOM 0 HG2 MET A 67 28.425 5.089 7.816 1.00 0.00 H new ATOM 0 HG3 MET A 67 28.981 3.454 7.516 1.00 0.00 H new ATOM 0 HE1 MET A 67 29.917 6.183 11.069 1.00 0.00 H new ATOM 0 HE2 MET A 67 30.059 6.775 9.397 1.00 0.00 H new ATOM 0 HE3 MET A 67 28.493 6.186 10.002 1.00 0.00 H new ATOM 1036 N LEU A 68 27.599 4.736 4.494 1.00 0.00 N ATOM 1037 CA LEU A 68 26.438 5.440 3.990 1.00 0.00 C ATOM 1038 C LEU A 68 25.269 5.264 4.950 1.00 0.00 C ATOM 1039 O LEU A 68 25.040 4.168 5.456 1.00 0.00 O ATOM 1040 CB LEU A 68 26.083 4.909 2.604 1.00 0.00 C ATOM 1041 CG LEU A 68 26.449 3.431 2.517 1.00 0.00 C ATOM 1042 CD1 LEU A 68 25.444 2.609 3.319 1.00 0.00 C ATOM 1043 CD2 LEU A 68 26.422 2.986 1.058 1.00 0.00 C ATOM 0 H LEU A 68 27.491 3.723 4.535 1.00 0.00 H new ATOM 0 HA LEU A 68 26.661 6.504 3.911 1.00 0.00 H new ATOM 0 HB2 LEU A 68 25.018 5.043 2.413 1.00 0.00 H new ATOM 0 HB3 LEU A 68 26.617 5.473 1.839 1.00 0.00 H new ATOM 0 HG LEU A 68 27.448 3.280 2.925 1.00 0.00 H new ATOM 0 HD11 LEU A 68 25.706 1.553 3.257 1.00 0.00 H new ATOM 0 HD12 LEU A 68 25.463 2.927 4.361 1.00 0.00 H new ATOM 0 HD13 LEU A 68 24.444 2.760 2.912 1.00 0.00 H new ATOM 0 HD21 LEU A 68 26.684 1.930 0.995 1.00 0.00 H new ATOM 0 HD22 LEU A 68 25.423 3.137 0.650 1.00 0.00 H new ATOM 0 HD23 LEU A 68 27.141 3.572 0.485 1.00 0.00 H new ATOM 1055 N ASP A 69 24.531 6.347 5.198 1.00 0.00 N ATOM 1056 CA ASP A 69 23.392 6.307 6.094 1.00 0.00 C ATOM 1057 C ASP A 69 22.380 7.368 5.688 1.00 0.00 C ATOM 1058 O ASP A 69 22.442 8.502 6.158 1.00 0.00 O ATOM 1059 CB ASP A 69 23.867 6.533 7.527 1.00 0.00 C ATOM 1060 CG ASP A 69 23.501 5.352 8.414 1.00 0.00 C ATOM 1061 OD1 ASP A 69 22.372 5.373 8.951 1.00 0.00 O ATOM 1062 OD2 ASP A 69 24.357 4.450 8.539 1.00 0.00 O ATOM 0 H ASP A 69 24.709 7.263 4.785 1.00 0.00 H new ATOM 0 HA ASP A 69 22.910 5.331 6.034 1.00 0.00 H new ATOM 0 HB2 ASP A 69 24.947 6.679 7.537 1.00 0.00 H new ATOM 0 HB3 ASP A 69 23.418 7.444 7.924 1.00 0.00 H new ATOM 1067 N ASP A 70 21.443 6.996 4.812 1.00 0.00 N ATOM 1068 CA ASP A 70 20.424 7.916 4.347 1.00 0.00 C ATOM 1069 C ASP A 70 19.517 7.215 3.345 1.00 0.00 C ATOM 1070 O ASP A 70 19.400 7.651 2.201 1.00 0.00 O ATOM 1071 CB ASP A 70 21.090 9.134 3.714 1.00 0.00 C ATOM 1072 CG ASP A 70 20.335 10.409 4.062 1.00 0.00 C ATOM 1073 OD1 ASP A 70 19.932 10.526 5.240 1.00 0.00 O ATOM 1074 OD2 ASP A 70 20.175 11.242 3.145 1.00 0.00 O ATOM 0 H ASP A 70 21.376 6.059 4.414 1.00 0.00 H new ATOM 0 HA ASP A 70 19.816 8.248 5.188 1.00 0.00 H new ATOM 0 HB2 ASP A 70 22.121 9.211 4.061 1.00 0.00 H new ATOM 0 HB3 ASP A 70 21.126 9.012 2.631 1.00 0.00 H new ATOM 1079 N SER A 71 18.875 6.127 3.776 1.00 0.00 N ATOM 1080 CA SER A 71 17.983 5.376 2.916 1.00 0.00 C ATOM 1081 C SER A 71 16.552 5.853 3.113 1.00 0.00 C ATOM 1082 O SER A 71 15.664 5.494 2.343 1.00 0.00 O ATOM 1083 CB SER A 71 18.107 3.889 3.234 1.00 0.00 C ATOM 1084 OG SER A 71 19.427 3.461 2.979 1.00 0.00 O ATOM 0 H SER A 71 18.963 5.752 4.721 1.00 0.00 H new ATOM 0 HA SER A 71 18.256 5.536 1.873 1.00 0.00 H new ATOM 0 HB2 SER A 71 17.850 3.707 4.277 1.00 0.00 H new ATOM 0 HB3 SER A 71 17.405 3.317 2.628 1.00 0.00 H new ATOM 0 HG SER A 71 19.601 2.629 3.466 1.00 0.00 H new ATOM 1090 N SER A 72 16.330 6.665 4.148 1.00 0.00 N ATOM 1091 CA SER A 72 15.010 7.189 4.439 1.00 0.00 C ATOM 1092 C SER A 72 14.660 8.289 3.446 1.00 0.00 C ATOM 1093 O SER A 72 13.550 8.816 3.465 1.00 0.00 O ATOM 1094 CB SER A 72 14.979 7.722 5.869 1.00 0.00 C ATOM 1095 OG SER A 72 15.737 8.908 5.945 1.00 0.00 O ATOM 0 H SER A 72 17.056 6.970 4.796 1.00 0.00 H new ATOM 0 HA SER A 72 14.271 6.394 4.345 1.00 0.00 H new ATOM 0 HB2 SER A 72 13.951 7.915 6.174 1.00 0.00 H new ATOM 0 HB3 SER A 72 15.381 6.976 6.555 1.00 0.00 H new ATOM 0 HG SER A 72 15.716 9.251 6.863 1.00 0.00 H new ATOM 1101 N SER A 73 15.612 8.632 2.577 1.00 0.00 N ATOM 1102 CA SER A 73 15.399 9.664 1.580 1.00 0.00 C ATOM 1103 C SER A 73 14.645 9.086 0.391 1.00 0.00 C ATOM 1104 O SER A 73 14.612 7.872 0.203 1.00 0.00 O ATOM 1105 CB SER A 73 16.746 10.233 1.143 1.00 0.00 C ATOM 1106 OG SER A 73 16.647 11.635 1.024 1.00 0.00 O ATOM 0 H SER A 73 16.538 8.205 2.549 1.00 0.00 H new ATOM 0 HA SER A 73 14.800 10.469 2.006 1.00 0.00 H new ATOM 0 HB2 SER A 73 17.516 9.972 1.869 1.00 0.00 H new ATOM 0 HB3 SER A 73 17.046 9.797 0.190 1.00 0.00 H new ATOM 0 HG SER A 73 17.512 12.002 0.745 1.00 0.00 H new ATOM 1112 N GLU A 74 14.039 9.962 -0.415 1.00 0.00 N ATOM 1113 CA GLU A 74 13.292 9.533 -1.580 1.00 0.00 C ATOM 1114 C GLU A 74 14.235 9.347 -2.761 1.00 0.00 C ATOM 1115 O GLU A 74 13.880 8.708 -3.749 1.00 0.00 O ATOM 1116 CB GLU A 74 12.219 10.570 -1.903 1.00 0.00 C ATOM 1117 CG GLU A 74 10.909 10.172 -1.230 1.00 0.00 C ATOM 1118 CD GLU A 74 11.080 10.086 0.280 1.00 0.00 C ATOM 1119 OE1 GLU A 74 11.034 11.159 0.919 1.00 0.00 O ATOM 1120 OE2 GLU A 74 11.254 8.947 0.767 1.00 0.00 O ATOM 0 H GLU A 74 14.056 10.972 -0.274 1.00 0.00 H new ATOM 0 HA GLU A 74 12.808 8.578 -1.375 1.00 0.00 H new ATOM 0 HB2 GLU A 74 12.534 11.555 -1.557 1.00 0.00 H new ATOM 0 HB3 GLU A 74 12.079 10.641 -2.982 1.00 0.00 H new ATOM 0 HG2 GLU A 74 10.135 10.900 -1.472 1.00 0.00 H new ATOM 0 HG3 GLU A 74 10.574 9.210 -1.618 1.00 0.00 H new ATOM 1127 N GLN A 75 15.442 9.908 -2.655 1.00 0.00 N ATOM 1128 CA GLN A 75 16.428 9.802 -3.712 1.00 0.00 C ATOM 1129 C GLN A 75 17.769 9.380 -3.126 1.00 0.00 C ATOM 1130 O GLN A 75 18.261 10.000 -2.185 1.00 0.00 O ATOM 1131 CB GLN A 75 16.550 11.144 -4.429 1.00 0.00 C ATOM 1132 CG GLN A 75 16.520 12.274 -3.403 1.00 0.00 C ATOM 1133 CD GLN A 75 15.262 13.115 -3.559 1.00 0.00 C ATOM 1134 OE1 GLN A 75 14.868 13.446 -4.676 1.00 0.00 O ATOM 1135 NE2 GLN A 75 14.630 13.460 -2.435 1.00 0.00 N ATOM 0 H GLN A 75 15.752 10.440 -1.842 1.00 0.00 H new ATOM 0 HA GLN A 75 16.115 9.047 -4.433 1.00 0.00 H new ATOM 0 HB2 GLN A 75 17.478 11.181 -4.999 1.00 0.00 H new ATOM 0 HB3 GLN A 75 15.734 11.263 -5.141 1.00 0.00 H new ATOM 0 HG2 GLN A 75 16.562 11.858 -2.396 1.00 0.00 H new ATOM 0 HG3 GLN A 75 17.401 12.904 -3.524 1.00 0.00 H new ATOM 0 HE21 GLN A 75 14.997 13.161 -1.531 1.00 0.00 H new ATOM 0 HE22 GLN A 75 13.781 14.023 -2.480 1.00 0.00 H new ATOM 1144 N CYS A 76 18.360 8.322 -3.687 1.00 0.00 N ATOM 1145 CA CYS A 76 19.637 7.823 -3.220 1.00 0.00 C ATOM 1146 C CYS A 76 20.766 8.628 -3.850 1.00 0.00 C ATOM 1147 O CYS A 76 20.815 8.781 -5.068 1.00 0.00 O ATOM 1148 CB CYS A 76 19.766 6.344 -3.574 1.00 0.00 C ATOM 1149 SG CYS A 76 21.042 5.471 -2.634 1.00 0.00 S ATOM 0 H CYS A 76 17.965 7.799 -4.468 1.00 0.00 H new ATOM 0 HA CYS A 76 19.699 7.930 -2.137 1.00 0.00 H new ATOM 0 HB2 CYS A 76 18.806 5.855 -3.405 1.00 0.00 H new ATOM 0 HB3 CYS A 76 19.987 6.253 -4.638 1.00 0.00 H new ATOM 1154 N VAL A 77 21.672 9.141 -3.016 1.00 0.00 N ATOM 1155 CA VAL A 77 22.793 9.927 -3.493 1.00 0.00 C ATOM 1156 C VAL A 77 24.091 9.167 -3.259 1.00 0.00 C ATOM 1157 O VAL A 77 24.339 8.683 -2.157 1.00 0.00 O ATOM 1158 CB VAL A 77 22.814 11.272 -2.773 1.00 0.00 C ATOM 1159 CG1 VAL A 77 23.508 11.114 -1.422 1.00 0.00 C ATOM 1160 CG2 VAL A 77 23.575 12.290 -3.618 1.00 0.00 C ATOM 0 H VAL A 77 21.644 9.021 -2.003 1.00 0.00 H new ATOM 0 HA VAL A 77 22.688 10.106 -4.563 1.00 0.00 H new ATOM 0 HB VAL A 77 21.792 11.618 -2.620 1.00 0.00 H new ATOM 0 HG11 VAL A 77 23.524 12.074 -0.907 1.00 0.00 H new ATOM 0 HG12 VAL A 77 22.966 10.386 -0.818 1.00 0.00 H new ATOM 0 HG13 VAL A 77 24.530 10.768 -1.576 1.00 0.00 H new ATOM 0 HG21 VAL A 77 23.590 13.251 -3.104 1.00 0.00 H new ATOM 0 HG22 VAL A 77 24.597 11.944 -3.771 1.00 0.00 H new ATOM 0 HG23 VAL A 77 23.082 12.403 -4.583 1.00 0.00 H new ATOM 1170 N MET A 78 24.921 9.065 -4.300 1.00 0.00 N ATOM 1171 CA MET A 78 26.185 8.364 -4.200 1.00 0.00 C ATOM 1172 C MET A 78 27.241 9.283 -3.601 1.00 0.00 C ATOM 1173 O MET A 78 27.544 10.334 -4.162 1.00 0.00 O ATOM 1174 CB MET A 78 26.611 7.885 -5.585 1.00 0.00 C ATOM 1175 CG MET A 78 26.939 6.395 -5.529 1.00 0.00 C ATOM 1176 SD MET A 78 25.532 5.317 -5.895 1.00 0.00 S ATOM 1177 CE MET A 78 26.378 4.066 -6.892 1.00 0.00 C ATOM 0 H MET A 78 24.732 9.463 -5.220 1.00 0.00 H new ATOM 0 HA MET A 78 26.073 7.498 -3.547 1.00 0.00 H new ATOM 0 HB2 MET A 78 25.813 8.066 -6.305 1.00 0.00 H new ATOM 0 HB3 MET A 78 27.481 8.447 -5.925 1.00 0.00 H new ATOM 0 HG2 MET A 78 27.740 6.183 -6.237 1.00 0.00 H new ATOM 0 HG3 MET A 78 27.319 6.154 -4.536 1.00 0.00 H new ATOM 0 HE1 MET A 78 25.665 3.300 -7.197 1.00 0.00 H new ATOM 0 HE2 MET A 78 26.807 4.535 -7.778 1.00 0.00 H new ATOM 0 HE3 MET A 78 27.173 3.608 -6.303 1.00 0.00 H new ATOM 1187 N LYS A 79 27.801 8.883 -2.458 1.00 0.00 N ATOM 1188 CA LYS A 79 28.818 9.669 -1.790 1.00 0.00 C ATOM 1189 C LYS A 79 30.191 9.323 -2.349 1.00 0.00 C ATOM 1190 O LYS A 79 30.406 8.215 -2.837 1.00 0.00 O ATOM 1191 CB LYS A 79 28.763 9.402 -0.289 1.00 0.00 C ATOM 1192 CG LYS A 79 28.232 10.641 0.428 1.00 0.00 C ATOM 1193 CD LYS A 79 28.680 10.617 1.887 1.00 0.00 C ATOM 1194 CE LYS A 79 27.479 10.871 2.792 1.00 0.00 C ATOM 1195 NZ LYS A 79 27.707 12.041 3.655 1.00 0.00 N ATOM 0 H LYS A 79 27.560 8.014 -1.981 1.00 0.00 H new ATOM 0 HA LYS A 79 28.634 10.729 -1.965 1.00 0.00 H new ATOM 0 HB2 LYS A 79 28.120 8.546 -0.084 1.00 0.00 H new ATOM 0 HB3 LYS A 79 29.756 9.151 0.083 1.00 0.00 H new ATOM 0 HG2 LYS A 79 28.600 11.543 -0.061 1.00 0.00 H new ATOM 0 HG3 LYS A 79 27.144 10.669 0.371 1.00 0.00 H new ATOM 0 HD2 LYS A 79 29.130 9.653 2.124 1.00 0.00 H new ATOM 0 HD3 LYS A 79 29.444 11.376 2.057 1.00 0.00 H new ATOM 0 HE2 LYS A 79 26.589 11.031 2.184 1.00 0.00 H new ATOM 0 HE3 LYS A 79 27.291 9.992 3.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 26.876 12.193 4.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 28.544 11.876 4.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 27.863 12.883 3.065 1.00 0.00 H new ATOM 1209 N GLU A 80 31.124 10.275 -2.275 1.00 0.00 N ATOM 1210 CA GLU A 80 32.470 10.065 -2.772 1.00 0.00 C ATOM 1211 C GLU A 80 33.419 9.816 -1.608 1.00 0.00 C ATOM 1212 O GLU A 80 33.733 10.733 -0.851 1.00 0.00 O ATOM 1213 CB GLU A 80 32.909 11.283 -3.578 1.00 0.00 C ATOM 1214 CG GLU A 80 32.946 12.508 -2.670 1.00 0.00 C ATOM 1215 CD GLU A 80 34.377 12.867 -2.299 1.00 0.00 C ATOM 1216 OE1 GLU A 80 35.230 12.814 -3.211 1.00 0.00 O ATOM 1217 OE2 GLU A 80 34.592 13.188 -1.110 1.00 0.00 O ATOM 0 H GLU A 80 30.963 11.199 -1.873 1.00 0.00 H new ATOM 0 HA GLU A 80 32.489 9.190 -3.422 1.00 0.00 H new ATOM 0 HB2 GLU A 80 33.894 11.109 -4.012 1.00 0.00 H new ATOM 0 HB3 GLU A 80 32.221 11.452 -4.406 1.00 0.00 H new ATOM 0 HG2 GLU A 80 32.474 13.352 -3.172 1.00 0.00 H new ATOM 0 HG3 GLU A 80 32.370 12.313 -1.766 1.00 0.00 H new ATOM 1224 N LYS A 81 33.880 8.571 -1.469 1.00 0.00 N ATOM 1225 CA LYS A 81 34.790 8.209 -0.402 1.00 0.00 C ATOM 1226 C LYS A 81 36.211 8.119 -0.941 1.00 0.00 C ATOM 1227 O LYS A 81 36.413 7.931 -2.139 1.00 0.00 O ATOM 1228 CB LYS A 81 34.358 6.878 0.205 1.00 0.00 C ATOM 1229 CG LYS A 81 33.530 7.136 1.461 1.00 0.00 C ATOM 1230 CD LYS A 81 32.063 7.304 1.077 1.00 0.00 C ATOM 1231 CE LYS A 81 31.180 6.935 2.266 1.00 0.00 C ATOM 1232 NZ LYS A 81 31.704 7.517 3.512 1.00 0.00 N ATOM 0 H LYS A 81 33.632 7.800 -2.089 1.00 0.00 H new ATOM 0 HA LYS A 81 34.766 8.973 0.375 1.00 0.00 H new ATOM 0 HB2 LYS A 81 33.774 6.309 -0.518 1.00 0.00 H new ATOM 0 HB3 LYS A 81 35.234 6.277 0.451 1.00 0.00 H new ATOM 0 HG2 LYS A 81 33.641 6.307 2.160 1.00 0.00 H new ATOM 0 HG3 LYS A 81 33.889 8.031 1.969 1.00 0.00 H new ATOM 0 HD2 LYS A 81 31.871 8.333 0.773 1.00 0.00 H new ATOM 0 HD3 LYS A 81 31.825 6.670 0.223 1.00 0.00 H new ATOM 0 HE2 LYS A 81 30.164 7.290 2.093 1.00 0.00 H new ATOM 0 HE3 LYS A 81 31.126 5.850 2.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 30.951 7.536 4.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 32.498 6.940 3.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 32.034 8.486 3.330 1.00 0.00 H new ATOM 1246 N LYS A 82 37.197 8.254 -0.052 1.00 0.00 N ATOM 1247 CA LYS A 82 38.591 8.188 -0.442 1.00 0.00 C ATOM 1248 C LYS A 82 38.855 6.896 -1.202 1.00 0.00 C ATOM 1249 O LYS A 82 38.949 5.827 -0.602 1.00 0.00 O ATOM 1250 CB LYS A 82 39.472 8.273 0.802 1.00 0.00 C ATOM 1251 CG LYS A 82 39.152 7.106 1.732 1.00 0.00 C ATOM 1252 CD LYS A 82 38.888 7.633 3.139 1.00 0.00 C ATOM 1253 CE LYS A 82 38.132 6.579 3.943 1.00 0.00 C ATOM 1254 NZ LYS A 82 38.006 6.981 5.353 1.00 0.00 N ATOM 0 H LYS A 82 37.046 8.410 0.945 1.00 0.00 H new ATOM 0 HA LYS A 82 38.828 9.026 -1.097 1.00 0.00 H new ATOM 0 HB2 LYS A 82 40.524 8.248 0.518 1.00 0.00 H new ATOM 0 HB3 LYS A 82 39.303 9.219 1.316 1.00 0.00 H new ATOM 0 HG2 LYS A 82 38.280 6.564 1.366 1.00 0.00 H new ATOM 0 HG3 LYS A 82 39.983 6.401 1.747 1.00 0.00 H new ATOM 0 HD2 LYS A 82 39.830 7.875 3.631 1.00 0.00 H new ATOM 0 HD3 LYS A 82 38.308 8.555 3.091 1.00 0.00 H new ATOM 0 HE2 LYS A 82 37.141 6.431 3.514 1.00 0.00 H new ATOM 0 HE3 LYS A 82 38.654 5.624 3.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 37.488 6.248 5.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 38.953 7.099 5.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 37.488 7.881 5.413 1.00 0.00 H new ATOM 1268 N ASP A 83 38.976 6.997 -2.527 1.00 0.00 N ATOM 1269 CA ASP A 83 39.228 5.839 -3.362 1.00 0.00 C ATOM 1270 C ASP A 83 40.495 6.057 -4.176 1.00 0.00 C ATOM 1271 O ASP A 83 40.515 6.879 -5.090 1.00 0.00 O ATOM 1272 CB ASP A 83 38.031 5.604 -4.277 1.00 0.00 C ATOM 1273 CG ASP A 83 36.726 5.677 -3.497 1.00 0.00 C ATOM 1274 OD1 ASP A 83 36.683 5.067 -2.407 1.00 0.00 O ATOM 1275 OD2 ASP A 83 35.797 6.342 -4.005 1.00 0.00 O ATOM 0 H ASP A 83 38.902 7.876 -3.039 1.00 0.00 H new ATOM 0 HA ASP A 83 39.369 4.957 -2.737 1.00 0.00 H new ATOM 0 HB2 ASP A 83 38.025 6.349 -5.073 1.00 0.00 H new ATOM 0 HB3 ASP A 83 38.120 4.628 -4.754 1.00 0.00 H new ATOM 1280 N ASP A 84 41.556 5.318 -3.843 1.00 0.00 N ATOM 1281 CA ASP A 84 42.820 5.435 -4.543 1.00 0.00 C ATOM 1282 C ASP A 84 42.878 4.418 -5.673 1.00 0.00 C ATOM 1283 O ASP A 84 42.619 3.236 -5.461 1.00 0.00 O ATOM 1284 CB ASP A 84 43.966 5.219 -3.559 1.00 0.00 C ATOM 1285 CG ASP A 84 44.619 6.543 -3.185 1.00 0.00 C ATOM 1286 OD1 ASP A 84 43.879 7.418 -2.683 1.00 0.00 O ATOM 1287 OD2 ASP A 84 45.843 6.655 -3.407 1.00 0.00 O ATOM 0 H ASP A 84 41.556 4.632 -3.088 1.00 0.00 H new ATOM 0 HA ASP A 84 42.913 6.432 -4.974 1.00 0.00 H new ATOM 0 HB2 ASP A 84 43.592 4.727 -2.661 1.00 0.00 H new ATOM 0 HB3 ASP A 84 44.709 4.554 -4.000 1.00 0.00 H new ATOM 1292 N GLY A 85 43.221 4.880 -6.878 1.00 0.00 N ATOM 1293 CA GLY A 85 43.311 4.006 -8.030 1.00 0.00 C ATOM 1294 C GLY A 85 42.028 4.077 -8.846 1.00 0.00 C ATOM 1295 O GLY A 85 41.970 3.572 -9.966 1.00 0.00 O ATOM 0 H GLY A 85 43.440 5.857 -7.072 1.00 0.00 H new ATOM 0 HA2 GLY A 85 44.161 4.295 -8.649 1.00 0.00 H new ATOM 0 HA3 GLY A 85 43.487 2.981 -7.705 1.00 0.00 H new ATOM 1299 N GLY A 86 40.995 4.707 -8.281 1.00 0.00 N ATOM 1300 CA GLY A 86 39.721 4.838 -8.958 1.00 0.00 C ATOM 1301 C GLY A 86 38.670 5.388 -8.003 1.00 0.00 C ATOM 1302 O GLY A 86 38.735 5.152 -6.799 1.00 0.00 O ATOM 0 H GLY A 86 41.025 5.132 -7.354 1.00 0.00 H new ATOM 0 HA2 GLY A 86 39.824 5.501 -9.817 1.00 0.00 H new ATOM 0 HA3 GLY A 86 39.403 3.868 -9.340 1.00 0.00 H new ATOM 1306 N LEU A 87 37.698 6.125 -8.546 1.00 0.00 N ATOM 1307 CA LEU A 87 36.639 6.705 -7.745 1.00 0.00 C ATOM 1308 C LEU A 87 35.569 5.658 -7.467 1.00 0.00 C ATOM 1309 O LEU A 87 35.217 4.877 -8.348 1.00 0.00 O ATOM 1310 CB LEU A 87 36.045 7.904 -8.479 1.00 0.00 C ATOM 1311 CG LEU A 87 36.655 9.190 -7.930 1.00 0.00 C ATOM 1312 CD1 LEU A 87 38.171 9.032 -7.834 1.00 0.00 C ATOM 1313 CD2 LEU A 87 36.322 10.350 -8.863 1.00 0.00 C ATOM 0 H LEU A 87 37.630 6.330 -9.543 1.00 0.00 H new ATOM 0 HA LEU A 87 37.044 7.044 -6.791 1.00 0.00 H new ATOM 0 HB2 LEU A 87 36.242 7.823 -9.548 1.00 0.00 H new ATOM 0 HB3 LEU A 87 34.962 7.920 -8.354 1.00 0.00 H new ATOM 0 HG LEU A 87 36.247 9.393 -6.940 1.00 0.00 H new ATOM 0 HD11 LEU A 87 38.608 9.950 -7.442 1.00 0.00 H new ATOM 0 HD12 LEU A 87 38.409 8.203 -7.167 1.00 0.00 H new ATOM 0 HD13 LEU A 87 38.579 8.830 -8.824 1.00 0.00 H new ATOM 0 HD21 LEU A 87 36.758 11.269 -8.471 1.00 0.00 H new ATOM 0 HD22 LEU A 87 36.730 10.149 -9.854 1.00 0.00 H new ATOM 0 HD23 LEU A 87 35.240 10.462 -8.932 1.00 0.00 H new ATOM 1325 N MET A 88 35.051 5.645 -6.236 1.00 0.00 N ATOM 1326 CA MET A 88 34.028 4.695 -5.850 1.00 0.00 C ATOM 1327 C MET A 88 32.927 5.406 -5.076 1.00 0.00 C ATOM 1328 O MET A 88 33.171 5.950 -4.002 1.00 0.00 O ATOM 1329 CB MET A 88 34.654 3.588 -5.006 1.00 0.00 C ATOM 1330 CG MET A 88 35.886 3.039 -5.720 1.00 0.00 C ATOM 1331 SD MET A 88 36.141 1.263 -5.483 1.00 0.00 S ATOM 1332 CE MET A 88 37.947 1.244 -5.359 1.00 0.00 C ATOM 0 H MET A 88 35.330 6.287 -5.494 1.00 0.00 H new ATOM 0 HA MET A 88 33.587 4.249 -6.742 1.00 0.00 H new ATOM 0 HB2 MET A 88 34.931 3.976 -4.026 1.00 0.00 H new ATOM 0 HB3 MET A 88 33.931 2.790 -4.840 1.00 0.00 H new ATOM 0 HG2 MET A 88 35.797 3.244 -6.787 1.00 0.00 H new ATOM 0 HG3 MET A 88 36.767 3.573 -5.365 1.00 0.00 H new ATOM 0 HE1 MET A 88 38.291 0.221 -5.209 1.00 0.00 H new ATOM 0 HE2 MET A 88 38.379 1.641 -6.278 1.00 0.00 H new ATOM 0 HE3 MET A 88 38.260 1.859 -4.515 1.00 0.00 H new ATOM 1342 N PHE A 89 31.710 5.398 -5.626 1.00 0.00 N ATOM 1343 CA PHE A 89 30.580 6.040 -4.985 1.00 0.00 C ATOM 1344 C PHE A 89 29.550 4.993 -4.586 1.00 0.00 C ATOM 1345 O PHE A 89 29.186 4.137 -5.389 1.00 0.00 O ATOM 1346 CB PHE A 89 29.971 7.064 -5.938 1.00 0.00 C ATOM 1347 CG PHE A 89 30.860 8.256 -6.192 1.00 0.00 C ATOM 1348 CD1 PHE A 89 32.201 8.065 -6.549 1.00 0.00 C ATOM 1349 CD2 PHE A 89 30.347 9.553 -6.069 1.00 0.00 C ATOM 1350 CE1 PHE A 89 33.028 9.170 -6.783 1.00 0.00 C ATOM 1351 CE2 PHE A 89 31.174 10.658 -6.303 1.00 0.00 C ATOM 1352 CZ PHE A 89 32.514 10.467 -6.660 1.00 0.00 C ATOM 0 H PHE A 89 31.491 4.951 -6.516 1.00 0.00 H new ATOM 0 HA PHE A 89 30.912 6.555 -4.083 1.00 0.00 H new ATOM 0 HB2 PHE A 89 29.750 6.577 -6.888 1.00 0.00 H new ATOM 0 HB3 PHE A 89 29.022 7.410 -5.528 1.00 0.00 H new ATOM 0 HD1 PHE A 89 32.597 7.065 -6.644 1.00 0.00 H new ATOM 0 HD2 PHE A 89 29.313 9.701 -5.794 1.00 0.00 H new ATOM 0 HE1 PHE A 89 34.062 9.022 -7.058 1.00 0.00 H new ATOM 0 HE2 PHE A 89 30.778 11.658 -6.208 1.00 0.00 H new ATOM 0 HZ PHE A 89 33.152 11.320 -6.841 1.00 0.00 H new ATOM 1362 N MET A 90 29.079 5.063 -3.338 1.00 0.00 N ATOM 1363 CA MET A 90 28.096 4.123 -2.841 1.00 0.00 C ATOM 1364 C MET A 90 26.944 4.873 -2.188 1.00 0.00 C ATOM 1365 O MET A 90 27.152 5.896 -1.540 1.00 0.00 O ATOM 1366 CB MET A 90 28.758 3.177 -1.842 1.00 0.00 C ATOM 1367 CG MET A 90 29.034 3.925 -0.541 1.00 0.00 C ATOM 1368 SD MET A 90 29.840 5.529 -0.772 1.00 0.00 S ATOM 1369 CE MET A 90 29.028 6.454 0.555 1.00 0.00 C ATOM 0 H MET A 90 29.370 5.766 -2.659 1.00 0.00 H new ATOM 0 HA MET A 90 27.698 3.538 -3.670 1.00 0.00 H new ATOM 0 HB2 MET A 90 28.111 2.321 -1.652 1.00 0.00 H new ATOM 0 HB3 MET A 90 29.689 2.788 -2.255 1.00 0.00 H new ATOM 0 HG2 MET A 90 28.092 4.076 -0.013 1.00 0.00 H new ATOM 0 HG3 MET A 90 29.661 3.303 0.098 1.00 0.00 H new ATOM 0 HE1 MET A 90 29.556 7.393 0.720 1.00 0.00 H new ATOM 0 HE2 MET A 90 27.996 6.663 0.274 1.00 0.00 H new ATOM 0 HE3 MET A 90 29.042 5.864 1.471 1.00 0.00 H new ATOM 1379 N CYS A 91 25.723 4.360 -2.362 1.00 0.00 N ATOM 1380 CA CYS A 91 24.544 4.980 -1.792 1.00 0.00 C ATOM 1381 C CYS A 91 23.572 3.906 -1.325 1.00 0.00 C ATOM 1382 O CYS A 91 23.579 2.792 -1.844 1.00 0.00 O ATOM 1383 CB CYS A 91 23.891 5.884 -2.833 1.00 0.00 C ATOM 1384 SG CYS A 91 22.610 5.067 -3.817 1.00 0.00 S ATOM 0 H CYS A 91 25.534 3.512 -2.897 1.00 0.00 H new ATOM 0 HA CYS A 91 24.827 5.586 -0.931 1.00 0.00 H new ATOM 0 HB2 CYS A 91 23.453 6.745 -2.328 1.00 0.00 H new ATOM 0 HB3 CYS A 91 24.662 6.265 -3.503 1.00 0.00 H new ATOM 1389 N SER A 92 22.734 4.244 -0.342 1.00 0.00 N ATOM 1390 CA SER A 92 21.763 3.308 0.187 1.00 0.00 C ATOM 1391 C SER A 92 20.369 3.917 0.120 1.00 0.00 C ATOM 1392 O SER A 92 20.224 5.135 0.039 1.00 0.00 O ATOM 1393 CB SER A 92 22.130 2.954 1.625 1.00 0.00 C ATOM 1394 OG SER A 92 22.571 4.112 2.297 1.00 0.00 O ATOM 0 H SER A 92 22.716 5.164 0.099 1.00 0.00 H new ATOM 0 HA SER A 92 21.768 2.396 -0.410 1.00 0.00 H new ATOM 0 HB2 SER A 92 21.267 2.530 2.138 1.00 0.00 H new ATOM 0 HB3 SER A 92 22.912 2.195 1.635 1.00 0.00 H new ATOM 0 HG SER A 92 22.093 4.198 3.148 1.00 0.00 H new ATOM 1400 N CYS A 93 19.342 3.065 0.156 1.00 0.00 N ATOM 1401 CA CYS A 93 17.968 3.520 0.101 1.00 0.00 C ATOM 1402 C CYS A 93 17.030 2.322 0.067 1.00 0.00 C ATOM 1403 O CYS A 93 17.299 1.339 -0.620 1.00 0.00 O ATOM 1404 CB CYS A 93 17.772 4.397 -1.133 1.00 0.00 C ATOM 1405 SG CYS A 93 18.259 3.601 -2.684 1.00 0.00 S ATOM 0 H CYS A 93 19.446 2.053 0.223 1.00 0.00 H new ATOM 0 HA CYS A 93 17.740 4.110 0.989 1.00 0.00 H new ATOM 0 HB2 CYS A 93 16.723 4.686 -1.198 1.00 0.00 H new ATOM 0 HB3 CYS A 93 18.348 5.314 -1.010 1.00 0.00 H new ATOM 1410 N THR A 94 15.924 2.405 0.811 1.00 0.00 N ATOM 1411 CA THR A 94 14.957 1.328 0.858 1.00 0.00 C ATOM 1412 C THR A 94 13.905 1.529 -0.223 1.00 0.00 C ATOM 1413 O THR A 94 12.954 0.757 -0.322 1.00 0.00 O ATOM 1414 CB THR A 94 14.310 1.288 2.240 1.00 0.00 C ATOM 1415 OG1 THR A 94 13.208 0.407 2.218 1.00 0.00 O ATOM 1416 CG2 THR A 94 13.833 2.687 2.619 1.00 0.00 C ATOM 0 H THR A 94 15.684 3.212 1.387 1.00 0.00 H new ATOM 0 HA THR A 94 15.458 0.377 0.676 1.00 0.00 H new ATOM 0 HB THR A 94 15.039 0.941 2.972 1.00 0.00 H new ATOM 0 HG1 THR A 94 13.086 0.058 1.310 1.00 0.00 H new ATOM 0 HG21 THR A 94 13.371 2.659 3.606 1.00 0.00 H new ATOM 0 HG22 THR A 94 14.683 3.369 2.636 1.00 0.00 H new ATOM 0 HG23 THR A 94 13.104 3.034 1.887 1.00 0.00 H new ATOM 1424 N GLY A 95 14.079 2.571 -1.039 1.00 0.00 N ATOM 1425 CA GLY A 95 13.146 2.866 -2.107 1.00 0.00 C ATOM 1426 C GLY A 95 13.227 1.798 -3.189 1.00 0.00 C ATOM 1427 O GLY A 95 14.149 0.983 -3.196 1.00 0.00 O ATOM 0 H GLY A 95 14.862 3.221 -0.973 1.00 0.00 H new ATOM 0 HA2 GLY A 95 12.132 2.915 -1.710 1.00 0.00 H new ATOM 0 HA3 GLY A 95 13.369 3.844 -2.534 1.00 0.00 H new ATOM 1431 N GLU A 96 12.258 1.803 -4.107 1.00 0.00 N ATOM 1432 CA GLU A 96 12.227 0.837 -5.187 1.00 0.00 C ATOM 1433 C GLU A 96 13.288 1.181 -6.222 1.00 0.00 C ATOM 1434 O GLU A 96 13.272 2.267 -6.797 1.00 0.00 O ATOM 1435 CB GLU A 96 10.837 0.829 -5.818 1.00 0.00 C ATOM 1436 CG GLU A 96 10.514 -0.577 -6.318 1.00 0.00 C ATOM 1437 CD GLU A 96 9.241 -0.577 -7.153 1.00 0.00 C ATOM 1438 OE1 GLU A 96 9.065 0.395 -7.919 1.00 0.00 O ATOM 1439 OE2 GLU A 96 8.470 -1.550 -7.009 1.00 0.00 O ATOM 0 H GLU A 96 11.487 2.470 -4.117 1.00 0.00 H new ATOM 0 HA GLU A 96 12.442 -0.158 -4.796 1.00 0.00 H new ATOM 0 HB2 GLU A 96 10.093 1.147 -5.088 1.00 0.00 H new ATOM 0 HB3 GLU A 96 10.797 1.539 -6.644 1.00 0.00 H new ATOM 0 HG2 GLU A 96 11.345 -0.955 -6.914 1.00 0.00 H new ATOM 0 HG3 GLU A 96 10.397 -1.251 -5.470 1.00 0.00 H new ATOM 1446 N GLU A 97 14.213 0.248 -6.461 1.00 0.00 N ATOM 1447 CA GLU A 97 15.274 0.457 -7.425 1.00 0.00 C ATOM 1448 C GLU A 97 16.032 1.736 -7.096 1.00 0.00 C ATOM 1449 O GLU A 97 16.977 2.098 -7.794 1.00 0.00 O ATOM 1450 CB GLU A 97 14.678 0.527 -8.828 1.00 0.00 C ATOM 1451 CG GLU A 97 13.615 -0.557 -8.984 1.00 0.00 C ATOM 1452 CD GLU A 97 12.891 -0.420 -10.316 1.00 0.00 C ATOM 1453 OE1 GLU A 97 13.459 0.251 -11.204 1.00 0.00 O ATOM 1454 OE2 GLU A 97 11.782 -0.989 -10.420 1.00 0.00 O ATOM 0 H GLU A 97 14.241 -0.659 -5.994 1.00 0.00 H new ATOM 0 HA GLU A 97 15.976 -0.376 -7.382 1.00 0.00 H new ATOM 0 HB2 GLU A 97 14.238 1.510 -8.999 1.00 0.00 H new ATOM 0 HB3 GLU A 97 15.461 0.394 -9.574 1.00 0.00 H new ATOM 0 HG2 GLU A 97 14.080 -1.540 -8.918 1.00 0.00 H new ATOM 0 HG3 GLU A 97 12.897 -0.488 -8.167 1.00 0.00 H new ATOM 1461 N CYS A 98 15.613 2.419 -6.029 1.00 0.00 N ATOM 1462 CA CYS A 98 16.251 3.651 -5.611 1.00 0.00 C ATOM 1463 C CYS A 98 17.763 3.502 -5.695 1.00 0.00 C ATOM 1464 O CYS A 98 18.465 4.453 -6.032 1.00 0.00 O ATOM 1465 CB CYS A 98 15.818 3.989 -4.187 1.00 0.00 C ATOM 1466 SG CYS A 98 16.320 2.762 -2.955 1.00 0.00 S ATOM 0 H CYS A 98 14.830 2.131 -5.442 1.00 0.00 H new ATOM 0 HA CYS A 98 15.949 4.464 -6.271 1.00 0.00 H new ATOM 0 HB2 CYS A 98 16.235 4.957 -3.911 1.00 0.00 H new ATOM 0 HB3 CYS A 98 14.733 4.091 -4.162 1.00 0.00 H new ATOM 1471 N ASN A 99 18.265 2.304 -5.386 1.00 0.00 N ATOM 1472 CA ASN A 99 19.688 2.038 -5.428 1.00 0.00 C ATOM 1473 C ASN A 99 20.172 2.030 -6.871 1.00 0.00 C ATOM 1474 O ASN A 99 21.214 2.602 -7.185 1.00 0.00 O ATOM 1475 CB ASN A 99 19.974 0.699 -4.756 1.00 0.00 C ATOM 1476 CG ASN A 99 19.357 -0.448 -5.542 1.00 0.00 C ATOM 1477 OD1 ASN A 99 18.345 -0.266 -6.216 1.00 0.00 O ATOM 1478 ND2 ASN A 99 19.969 -1.631 -5.458 1.00 0.00 N ATOM 0 H ASN A 99 17.697 1.505 -5.104 1.00 0.00 H new ATOM 0 HA ASN A 99 20.223 2.822 -4.892 1.00 0.00 H new ATOM 0 HB2 ASN A 99 21.051 0.551 -4.675 1.00 0.00 H new ATOM 0 HB3 ASN A 99 19.576 0.705 -3.741 1.00 0.00 H new ATOM 0 HD21 ASN A 99 19.599 -2.434 -5.967 1.00 0.00 H new ATOM 0 HD22 ASN A 99 20.807 -1.732 -4.885 1.00 0.00 H new ATOM 1485 N ASP A 100 19.409 1.378 -7.752 1.00 0.00 N ATOM 1486 CA ASP A 100 19.761 1.297 -9.155 1.00 0.00 C ATOM 1487 C ASP A 100 20.112 2.682 -9.680 1.00 0.00 C ATOM 1488 O ASP A 100 20.968 2.821 -10.550 1.00 0.00 O ATOM 1489 CB ASP A 100 18.594 0.702 -9.938 1.00 0.00 C ATOM 1490 CG ASP A 100 17.855 1.780 -10.717 1.00 0.00 C ATOM 1491 OD1 ASP A 100 18.447 2.278 -11.699 1.00 0.00 O ATOM 1492 OD2 ASP A 100 16.712 2.087 -10.317 1.00 0.00 O ATOM 0 H ASP A 100 18.542 0.900 -7.508 1.00 0.00 H new ATOM 0 HA ASP A 100 20.631 0.652 -9.279 1.00 0.00 H new ATOM 0 HB2 ASP A 100 18.963 -0.060 -10.625 1.00 0.00 H new ATOM 0 HB3 ASP A 100 17.906 0.207 -9.253 1.00 0.00 H new ATOM 1497 N VAL A 101 19.445 3.710 -9.147 1.00 0.00 N ATOM 1498 CA VAL A 101 19.688 5.077 -9.562 1.00 0.00 C ATOM 1499 C VAL A 101 20.778 5.692 -8.696 1.00 0.00 C ATOM 1500 O VAL A 101 20.533 6.041 -7.542 1.00 0.00 O ATOM 1501 CB VAL A 101 18.395 5.878 -9.455 1.00 0.00 C ATOM 1502 CG1 VAL A 101 18.328 6.893 -10.592 1.00 0.00 C ATOM 1503 CG2 VAL A 101 17.201 4.931 -9.547 1.00 0.00 C ATOM 0 H VAL A 101 18.731 3.611 -8.425 1.00 0.00 H new ATOM 0 HA VAL A 101 20.024 5.093 -10.599 1.00 0.00 H new ATOM 0 HB VAL A 101 18.371 6.402 -8.500 1.00 0.00 H new ATOM 0 HG11 VAL A 101 17.403 7.465 -10.515 1.00 0.00 H new ATOM 0 HG12 VAL A 101 19.180 7.570 -10.526 1.00 0.00 H new ATOM 0 HG13 VAL A 101 18.353 6.370 -11.548 1.00 0.00 H new ATOM 0 HG21 VAL A 101 16.276 5.503 -9.471 1.00 0.00 H new ATOM 0 HG22 VAL A 101 17.225 4.406 -10.502 1.00 0.00 H new ATOM 0 HG23 VAL A 101 17.248 4.206 -8.734 1.00 0.00 H new ATOM 1513 N LEU A 102 21.983 5.826 -9.254 1.00 0.00 N ATOM 1514 CA LEU A 102 23.102 6.398 -8.532 1.00 0.00 C ATOM 1515 C LEU A 102 23.220 7.881 -8.853 1.00 0.00 C ATOM 1516 O LEU A 102 23.461 8.253 -9.999 1.00 0.00 O ATOM 1517 CB LEU A 102 24.382 5.659 -8.911 1.00 0.00 C ATOM 1518 CG LEU A 102 24.206 5.004 -10.277 1.00 0.00 C ATOM 1519 CD1 LEU A 102 25.571 4.825 -10.936 1.00 0.00 C ATOM 1520 CD2 LEU A 102 23.540 3.641 -10.105 1.00 0.00 C ATOM 0 H LEU A 102 22.201 5.542 -10.209 1.00 0.00 H new ATOM 0 HA LEU A 102 22.940 6.291 -7.459 1.00 0.00 H new ATOM 0 HB2 LEU A 102 25.222 6.353 -8.934 1.00 0.00 H new ATOM 0 HB3 LEU A 102 24.614 4.903 -8.161 1.00 0.00 H new ATOM 0 HG LEU A 102 23.580 5.637 -10.906 1.00 0.00 H new ATOM 0 HD11 LEU A 102 25.445 4.357 -11.912 1.00 0.00 H new ATOM 0 HD12 LEU A 102 26.046 5.798 -11.059 1.00 0.00 H new ATOM 0 HD13 LEU A 102 26.198 4.192 -10.308 1.00 0.00 H new ATOM 0 HD21 LEU A 102 23.414 3.172 -11.081 1.00 0.00 H new ATOM 0 HD22 LEU A 102 24.165 3.007 -9.476 1.00 0.00 H new ATOM 0 HD23 LEU A 102 22.565 3.769 -9.635 1.00 0.00 H new ATOM 1532 N ILE A 103 23.050 8.728 -7.835 1.00 0.00 N ATOM 1533 CA ILE A 103 23.140 10.164 -8.010 1.00 0.00 C ATOM 1534 C ILE A 103 24.520 10.649 -7.592 1.00 0.00 C ATOM 1535 O ILE A 103 24.990 10.326 -6.502 1.00 0.00 O ATOM 1536 CB ILE A 103 22.052 10.845 -7.183 1.00 0.00 C ATOM 1537 CG1 ILE A 103 20.749 10.870 -7.976 1.00 0.00 C ATOM 1538 CG2 ILE A 103 22.479 12.274 -6.861 1.00 0.00 C ATOM 1539 CD1 ILE A 103 20.232 9.445 -8.150 1.00 0.00 C ATOM 0 H ILE A 103 22.849 8.434 -6.879 1.00 0.00 H new ATOM 0 HA ILE A 103 22.992 10.417 -9.060 1.00 0.00 H new ATOM 0 HB ILE A 103 21.901 10.292 -6.256 1.00 0.00 H new ATOM 0 HG12 ILE A 103 20.007 11.477 -7.457 1.00 0.00 H new ATOM 0 HG13 ILE A 103 20.913 11.330 -8.950 1.00 0.00 H new ATOM 0 HG21 ILE A 103 21.703 12.761 -6.271 1.00 0.00 H new ATOM 0 HG22 ILE A 103 23.410 12.257 -6.294 1.00 0.00 H new ATOM 0 HG23 ILE A 103 22.630 12.826 -7.788 1.00 0.00 H new ATOM 0 HD11 ILE A 103 19.301 9.462 -8.717 1.00 0.00 H new ATOM 0 HD12 ILE A 103 20.973 8.852 -8.687 1.00 0.00 H new ATOM 0 HD13 ILE A 103 20.053 9.001 -7.171 1.00 0.00 H new ATOM 1551 N PHE A 104 25.171 11.426 -8.459 1.00 0.00 N ATOM 1552 CA PHE A 104 26.491 11.950 -8.174 1.00 0.00 C ATOM 1553 C PHE A 104 26.451 13.471 -8.150 1.00 0.00 C ATOM 1554 O PHE A 104 26.184 14.104 -9.170 1.00 0.00 O ATOM 1555 CB PHE A 104 27.474 11.450 -9.230 1.00 0.00 C ATOM 1556 CG PHE A 104 27.444 9.953 -9.422 1.00 0.00 C ATOM 1557 CD1 PHE A 104 26.320 9.341 -9.989 1.00 0.00 C ATOM 1558 CD2 PHE A 104 28.543 9.176 -9.035 1.00 0.00 C ATOM 1559 CE1 PHE A 104 26.293 7.953 -10.168 1.00 0.00 C ATOM 1560 CE2 PHE A 104 28.517 7.788 -9.215 1.00 0.00 C ATOM 1561 CZ PHE A 104 27.391 7.177 -9.781 1.00 0.00 C ATOM 0 H PHE A 104 24.796 11.703 -9.366 1.00 0.00 H new ATOM 0 HA PHE A 104 26.821 11.602 -7.195 1.00 0.00 H new ATOM 0 HB2 PHE A 104 27.251 11.934 -10.181 1.00 0.00 H new ATOM 0 HB3 PHE A 104 28.483 11.752 -8.947 1.00 0.00 H new ATOM 0 HD1 PHE A 104 25.473 9.940 -10.289 1.00 0.00 H new ATOM 0 HD2 PHE A 104 29.411 9.648 -8.598 1.00 0.00 H new ATOM 0 HE1 PHE A 104 25.425 7.481 -10.605 1.00 0.00 H new ATOM 0 HE2 PHE A 104 29.365 7.189 -8.918 1.00 0.00 H new ATOM 0 HZ PHE A 104 27.370 6.106 -9.919 1.00 0.00 H new ATOM 1571 N SER A 105 26.717 14.057 -6.982 1.00 0.00 N ATOM 1572 CA SER A 105 26.710 15.498 -6.832 1.00 0.00 C ATOM 1573 C SER A 105 27.936 15.942 -6.047 1.00 0.00 C ATOM 1574 O SER A 105 28.161 15.483 -4.929 1.00 0.00 O ATOM 1575 CB SER A 105 25.429 15.930 -6.124 1.00 0.00 C ATOM 1576 OG SER A 105 25.590 15.780 -4.731 1.00 0.00 O ATOM 0 H SER A 105 26.940 13.546 -6.128 1.00 0.00 H new ATOM 0 HA SER A 105 26.743 15.969 -7.815 1.00 0.00 H new ATOM 0 HB2 SER A 105 25.200 16.968 -6.365 1.00 0.00 H new ATOM 0 HB3 SER A 105 24.588 15.329 -6.471 1.00 0.00 H new ATOM 0 HG SER A 105 26.421 15.294 -4.548 1.00 0.00 H new ATOM 1582 N ALA A 106 28.729 16.841 -6.635 1.00 0.00 N ATOM 1583 CA ALA A 106 29.927 17.342 -5.990 1.00 0.00 C ATOM 1584 C ALA A 106 29.629 18.672 -5.314 1.00 0.00 C ATOM 1585 O ALA A 106 30.414 19.613 -5.418 1.00 0.00 O ATOM 1586 CB ALA A 106 31.035 17.498 -7.028 1.00 0.00 C ATOM 0 H ALA A 106 28.555 17.233 -7.560 1.00 0.00 H new ATOM 0 HA ALA A 106 30.258 16.636 -5.228 1.00 0.00 H new ATOM 0 HB1 ALA A 106 31.936 17.875 -6.544 1.00 0.00 H new ATOM 0 HB2 ALA A 106 31.245 16.531 -7.484 1.00 0.00 H new ATOM 0 HB3 ALA A 106 30.716 18.200 -7.798 1.00 0.00 H new