USER MOD reduce.3.24.130724 H: found=0, std=0, add=539, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 532 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: B 11 CYS SG : rot 116:sc= -3.46! USER MOD Set 1.2: B 14 CYS SG : rot 116:sc= -1.66 USER MOD Set 1.3: B 27 HIS :FLIP no HE2:sc= -4.21! C(o=-9.1!,f=-7!) USER MOD Set 1.4: B 28 GLN :FLIP amide:sc= 1.1 F(o=-7.5,f=-7) USER MOD Set 1.5: B 32 CYS SG : rot -168:sc= 1.28 USER MOD Set 2.1: A 231 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 235 ASN : amide:sc= -0.215 K(o=-0.21,f=-2.3!) USER MOD Set 2.3: A 237 GLN : amide:sc= 0 X(o=-0.21,f=-0.21) USER MOD Set 3.1: A 232 HIS : no HE2:sc= -0.477 K(o=-0.92,f=-8.8!) USER MOD Set 3.2: A 238 ASN : amide:sc= -0.915 K(o=-0.92,f=-5.4!) USER MOD Set 3.3: B 30 TYR OH : rot -173:sc= 0.468 USER MOD Set 4.1: A 220 THR OG1 : rot -87:sc= 1.15 USER MOD Set 4.2: A 222 HIS : no HD1:sc= 0.89 K(o=2,f=-4.2!) USER MOD Set 5.1: A 204 CYS SG : rot 152:sc= 0.828 USER MOD Set 5.2: A 207 CYS SG : rot 71:sc= 0.926 USER MOD Set 5.3: A 225 CYS SG : rot 180:sc= 1.41! USER MOD Set 5.4: A 228 CYS SG : rot 79:sc= 1.18 USER MOD Single : A 206 ASN :FLIP amide:sc= -0.347 F(o=-2.5!,f=-0.35) USER MOD Single : A 210 THR OG1 : rot -44:sc= 0.0537 USER MOD Single : A 212 THR OG1 : rot -111:sc= -0.0428 USER MOD Single : A 223 TYR OH : rot 180:sc= 0 USER MOD Single : A 226 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 233 LYS NZ :NH3+ -129:sc= 0.0614 (180deg=0) USER MOD Single : A 234 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 2 SER OG : rot 180:sc= 0 USER MOD Single : B 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 19 SER OG : rot 180:sc= 0 USER MOD Single : B 20 SER OG : rot 103:sc= 1.76 USER MOD Single : B 22 SER OG : rot 180:sc=0.000873 USER MOD Single : B 23 THR OG1 : rot 158:sc= 0.0434 USER MOD Single : B 31 TYR OH : rot 175:sc= 0.00205 USER MOD Single : B 33 SER OG : rot 180:sc= 0 USER MOD Single : B 34 HIS : no HD1:sc= -0.31 X(o=-0.31,f=-0.074) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 200 1.446 14.563 -0.638 1.00 1.00 N ATOM 2 CA GLU A 200 -0.004 14.274 -0.723 1.00 1.00 C ATOM 3 C GLU A 200 -0.557 13.966 0.659 1.00 1.00 C ATOM 4 O GLU A 200 0.204 13.669 1.583 1.00 1.00 O ATOM 5 CB GLU A 200 -0.254 13.085 -1.660 1.00 1.00 C ATOM 6 CG GLU A 200 -0.359 13.461 -3.132 1.00 1.00 C ATOM 7 CD GLU A 200 0.465 14.682 -3.483 1.00 1.00 C ATOM 8 OE1 GLU A 200 1.704 14.636 -3.324 1.00 1.00 O ATOM 9 OE2 GLU A 200 -0.126 15.699 -3.888 1.00 1.00 O ATOM 0 HA GLU A 200 -0.512 15.152 -1.122 1.00 1.00 H new ATOM 0 HB2 GLU A 200 0.554 12.364 -1.538 1.00 1.00 H new ATOM 0 HB3 GLU A 200 -1.175 12.586 -1.358 1.00 1.00 H new ATOM 0 HG2 GLU A 200 -0.032 12.619 -3.742 1.00 1.00 H new ATOM 0 HG3 GLU A 200 -1.403 13.648 -3.381 1.00 1.00 H new ATOM 16 N ALA A 201 -1.878 14.051 0.800 1.00 1.00 N ATOM 17 CA ALA A 201 -2.537 13.770 2.069 1.00 1.00 C ATOM 18 C ALA A 201 -2.238 12.348 2.524 1.00 1.00 C ATOM 19 O ALA A 201 -1.631 12.133 3.573 1.00 1.00 O ATOM 20 CB ALA A 201 -4.038 13.977 1.940 1.00 1.00 C ATOM 0 H ALA A 201 -2.513 14.313 0.047 1.00 1.00 H new ATOM 0 HA ALA A 201 -2.151 14.460 2.819 1.00 1.00 H new ATOM 0 HB1 ALA A 201 -4.518 13.764 2.895 1.00 1.00 H new ATOM 0 HB2 ALA A 201 -4.240 15.010 1.655 1.00 1.00 H new ATOM 0 HB3 ALA A 201 -4.434 13.306 1.177 1.00 1.00 H new ATOM 26 N ARG A 202 -2.659 11.387 1.721 1.00 1.00 N ATOM 27 CA ARG A 202 -2.436 9.981 2.021 1.00 1.00 C ATOM 28 C ARG A 202 -2.222 9.218 0.719 1.00 1.00 C ATOM 29 O ARG A 202 -2.584 9.709 -0.354 1.00 1.00 O ATOM 30 CB ARG A 202 -3.628 9.408 2.795 1.00 1.00 C ATOM 31 CG ARG A 202 -3.353 8.065 3.452 1.00 1.00 C ATOM 32 CD ARG A 202 -3.479 8.143 4.965 1.00 1.00 C ATOM 33 NE ARG A 202 -2.646 9.201 5.543 1.00 1.00 N ATOM 34 CZ ARG A 202 -1.324 9.109 5.713 1.00 1.00 C ATOM 35 NH1 ARG A 202 -0.676 8.013 5.335 1.00 1.00 N ATOM 36 NH2 ARG A 202 -0.652 10.117 6.253 1.00 1.00 N ATOM 0 H ARG A 202 -3.161 11.555 0.849 1.00 1.00 H new ATOM 0 HA ARG A 202 -1.548 9.878 2.645 1.00 1.00 H new ATOM 0 HB2 ARG A 202 -3.926 10.122 3.563 1.00 1.00 H new ATOM 0 HB3 ARG A 202 -4.472 9.301 2.114 1.00 1.00 H new ATOM 0 HG2 ARG A 202 -4.051 7.322 3.067 1.00 1.00 H new ATOM 0 HG3 ARG A 202 -2.351 7.729 3.187 1.00 1.00 H new ATOM 0 HD2 ARG A 202 -4.521 8.319 5.231 1.00 1.00 H new ATOM 0 HD3 ARG A 202 -3.197 7.184 5.400 1.00 1.00 H new ATOM 0 HE ARG A 202 -3.105 10.064 5.835 1.00 1.00 H new ATOM 0 HH11 ARG A 202 -1.188 7.238 4.913 1.00 1.00 H new ATOM 0 HH12 ARG A 202 0.333 7.946 5.466 1.00 1.00 H new ATOM 0 HH21 ARG A 202 -1.144 10.963 6.539 1.00 1.00 H new ATOM 0 HH22 ARG A 202 0.357 10.046 6.382 1.00 1.00 H new ATOM 50 N GLU A 203 -1.620 8.043 0.800 1.00 1.00 N ATOM 51 CA GLU A 203 -1.369 7.243 -0.385 1.00 1.00 C ATOM 52 C GLU A 203 -2.026 5.872 -0.272 1.00 1.00 C ATOM 53 O GLU A 203 -2.222 5.356 0.827 1.00 1.00 O ATOM 54 CB GLU A 203 0.140 7.077 -0.622 1.00 1.00 C ATOM 55 CG GLU A 203 1.019 7.796 0.397 1.00 1.00 C ATOM 56 CD GLU A 203 1.240 6.995 1.668 1.00 1.00 C ATOM 57 OE1 GLU A 203 2.199 6.198 1.709 1.00 1.00 O ATOM 58 OE2 GLU A 203 0.474 7.176 2.638 1.00 1.00 O ATOM 0 H GLU A 203 -1.297 7.624 1.672 1.00 1.00 H new ATOM 0 HA GLU A 203 -1.805 7.769 -1.234 1.00 1.00 H new ATOM 0 HB2 GLU A 203 0.383 6.015 -0.609 1.00 1.00 H new ATOM 0 HB3 GLU A 203 0.382 7.447 -1.618 1.00 1.00 H new ATOM 0 HG2 GLU A 203 1.985 8.017 -0.058 1.00 1.00 H new ATOM 0 HG3 GLU A 203 0.561 8.751 0.652 1.00 1.00 H new ATOM 65 N CYS A 204 -2.382 5.308 -1.420 1.00 1.00 N ATOM 66 CA CYS A 204 -2.994 3.993 -1.488 1.00 1.00 C ATOM 67 C CYS A 204 -1.925 2.974 -1.867 1.00 1.00 C ATOM 68 O CYS A 204 -0.886 3.344 -2.405 1.00 1.00 O ATOM 69 CB CYS A 204 -4.132 3.998 -2.516 1.00 1.00 C ATOM 70 SG CYS A 204 -4.729 2.350 -3.013 1.00 1.00 S ATOM 0 H CYS A 204 -2.253 5.753 -2.329 1.00 1.00 H new ATOM 0 HA CYS A 204 -3.417 3.726 -0.519 1.00 1.00 H new ATOM 0 HB2 CYS A 204 -4.969 4.563 -2.106 1.00 1.00 H new ATOM 0 HB3 CYS A 204 -3.795 4.529 -3.406 1.00 1.00 H new ATOM 0 HG CYS A 204 -5.979 2.428 -3.360 1.00 1.00 H new ATOM 75 N VAL A 205 -2.187 1.704 -1.606 1.00 1.00 N ATOM 76 CA VAL A 205 -1.224 0.651 -1.907 1.00 1.00 C ATOM 77 C VAL A 205 -1.372 0.146 -3.335 1.00 1.00 C ATOM 78 O VAL A 205 -0.496 -0.555 -3.847 1.00 1.00 O ATOM 79 CB VAL A 205 -1.371 -0.555 -0.953 1.00 1.00 C ATOM 80 CG1 VAL A 205 -1.294 -0.113 0.498 1.00 1.00 C ATOM 81 CG2 VAL A 205 -2.667 -1.313 -1.220 1.00 1.00 C ATOM 0 H VAL A 205 -3.057 1.375 -1.187 1.00 1.00 H new ATOM 0 HA VAL A 205 -0.240 1.101 -1.775 1.00 1.00 H new ATOM 0 HB VAL A 205 -0.540 -1.233 -1.145 1.00 1.00 H new ATOM 0 HG11 VAL A 205 -1.400 -0.981 1.149 1.00 1.00 H new ATOM 0 HG12 VAL A 205 -0.331 0.363 0.683 1.00 1.00 H new ATOM 0 HG13 VAL A 205 -2.095 0.596 0.705 1.00 1.00 H new ATOM 0 HG21 VAL A 205 -2.743 -2.156 -0.534 1.00 1.00 H new ATOM 0 HG22 VAL A 205 -3.516 -0.646 -1.071 1.00 1.00 H new ATOM 0 HG23 VAL A 205 -2.669 -1.679 -2.247 1.00 1.00 H new ATOM 91 N ASN A 206 -2.482 0.489 -3.973 1.00 1.00 N ATOM 92 CA ASN A 206 -2.741 0.034 -5.331 1.00 1.00 C ATOM 93 C ASN A 206 -2.976 1.197 -6.278 1.00 1.00 C ATOM 94 O ASN A 206 -2.833 1.054 -7.495 1.00 1.00 O ATOM 95 CB ASN A 206 -3.952 -0.899 -5.348 1.00 1.00 C ATOM 96 CG ASN A 206 -3.555 -2.359 -5.410 1.00 1.00 C ATOM 97 OD1 ASN A 206 -3.154 -2.918 -4.276 1.00 1.00 O flip ATOM 98 ND2 ASN A 206 -3.589 -2.981 -6.470 1.00 1.00 N flip ATOM 0 H ASN A 206 -3.214 1.077 -3.575 1.00 1.00 H new ATOM 0 HA ASN A 206 -1.857 -0.504 -5.674 1.00 1.00 H new ATOM 0 HB2 ASN A 206 -4.553 -0.726 -4.455 1.00 1.00 H new ATOM 0 HB3 ASN A 206 -4.580 -0.659 -6.206 1.00 1.00 H new ATOM 0 HD21 ASN A 206 -3.903 -2.518 -7.323 1.00 1.00 H new ATOM 0 HD22 ASN A 206 -3.303 -3.960 -6.496 1.00 1.00 H new ATOM 105 N CYS A 207 -3.348 2.341 -5.730 1.00 1.00 N ATOM 106 CA CYS A 207 -3.597 3.515 -6.543 1.00 1.00 C ATOM 107 C CYS A 207 -2.591 4.620 -6.249 1.00 1.00 C ATOM 108 O CYS A 207 -1.936 5.134 -7.154 1.00 1.00 O ATOM 109 CB CYS A 207 -5.013 4.035 -6.293 1.00 1.00 C ATOM 110 SG CYS A 207 -6.308 2.753 -6.341 1.00 1.00 S ATOM 0 H CYS A 207 -3.483 2.480 -4.729 1.00 1.00 H new ATOM 0 HA CYS A 207 -3.490 3.224 -7.588 1.00 1.00 H new ATOM 0 HB2 CYS A 207 -5.040 4.525 -5.320 1.00 1.00 H new ATOM 0 HB3 CYS A 207 -5.244 4.795 -7.039 1.00 1.00 H new ATOM 0 HG CYS A 207 -6.209 1.997 -5.288 1.00 1.00 H new ATOM 115 N GLY A 208 -2.493 4.993 -4.985 1.00 1.00 N ATOM 116 CA GLY A 208 -1.587 6.054 -4.595 1.00 1.00 C ATOM 117 C GLY A 208 -2.225 7.416 -4.778 1.00 1.00 C ATOM 118 O GLY A 208 -1.641 8.443 -4.437 1.00 1.00 O ATOM 0 H GLY A 208 -3.025 4.580 -4.219 1.00 1.00 H new ATOM 0 HA2 GLY A 208 -1.297 5.923 -3.553 1.00 1.00 H new ATOM 0 HA3 GLY A 208 -0.675 5.994 -5.190 1.00 1.00 H new ATOM 122 N ALA A 209 -3.440 7.410 -5.313 1.00 1.00 N ATOM 123 CA ALA A 209 -4.182 8.631 -5.563 1.00 1.00 C ATOM 124 C ALA A 209 -4.995 9.034 -4.342 1.00 1.00 C ATOM 125 O ALA A 209 -5.822 8.267 -3.850 1.00 1.00 O ATOM 126 CB ALA A 209 -5.091 8.452 -6.767 1.00 1.00 C ATOM 0 H ALA A 209 -3.934 6.560 -5.584 1.00 1.00 H new ATOM 0 HA ALA A 209 -3.469 9.428 -5.772 1.00 1.00 H new ATOM 0 HB1 ALA A 209 -5.644 9.374 -6.946 1.00 1.00 H new ATOM 0 HB2 ALA A 209 -4.490 8.213 -7.644 1.00 1.00 H new ATOM 0 HB3 ALA A 209 -5.793 7.640 -6.576 1.00 1.00 H new ATOM 132 N THR A 210 -4.767 10.250 -3.879 1.00 1.00 N ATOM 133 CA THR A 210 -5.461 10.780 -2.718 1.00 1.00 C ATOM 134 C THR A 210 -6.741 11.510 -3.141 1.00 1.00 C ATOM 135 O THR A 210 -7.223 12.414 -2.457 1.00 1.00 O ATOM 136 CB THR A 210 -4.526 11.728 -1.925 1.00 1.00 C ATOM 137 OG1 THR A 210 -5.141 12.163 -0.703 1.00 1.00 O ATOM 138 CG2 THR A 210 -4.133 12.938 -2.764 1.00 1.00 C ATOM 0 H THR A 210 -4.097 10.897 -4.296 1.00 1.00 H new ATOM 0 HA THR A 210 -5.744 9.950 -2.071 1.00 1.00 H new ATOM 0 HB THR A 210 -3.626 11.164 -1.680 1.00 1.00 H new ATOM 0 HG1 THR A 210 -6.075 12.405 -0.875 1.00 1.00 H new ATOM 0 HG21 THR A 210 -3.477 13.586 -2.183 1.00 1.00 H new ATOM 0 HG22 THR A 210 -3.612 12.605 -3.661 1.00 1.00 H new ATOM 0 HG23 THR A 210 -5.029 13.490 -3.049 1.00 1.00 H new ATOM 146 N ALA A 211 -7.313 11.081 -4.259 1.00 1.00 N ATOM 147 CA ALA A 211 -8.520 11.698 -4.791 1.00 1.00 C ATOM 148 C ALA A 211 -9.791 11.061 -4.226 1.00 1.00 C ATOM 149 O ALA A 211 -10.872 11.209 -4.795 1.00 1.00 O ATOM 150 CB ALA A 211 -8.519 11.621 -6.308 1.00 1.00 C ATOM 0 H ALA A 211 -6.958 10.304 -4.817 1.00 1.00 H new ATOM 0 HA ALA A 211 -8.518 12.743 -4.481 1.00 1.00 H new ATOM 0 HB1 ALA A 211 -9.426 12.085 -6.696 1.00 1.00 H new ATOM 0 HB2 ALA A 211 -7.647 12.146 -6.698 1.00 1.00 H new ATOM 0 HB3 ALA A 211 -8.484 10.577 -6.619 1.00 1.00 H new ATOM 156 N THR A 212 -9.663 10.354 -3.113 1.00 1.00 N ATOM 157 CA THR A 212 -10.813 9.716 -2.489 1.00 1.00 C ATOM 158 C THR A 212 -11.452 10.671 -1.478 1.00 1.00 C ATOM 159 O THR A 212 -10.750 11.416 -0.787 1.00 1.00 O ATOM 160 CB THR A 212 -10.423 8.378 -1.807 1.00 1.00 C ATOM 161 OG1 THR A 212 -11.587 7.696 -1.318 1.00 1.00 O ATOM 162 CG2 THR A 212 -9.454 8.602 -0.661 1.00 1.00 C ATOM 0 H THR A 212 -8.779 10.208 -2.625 1.00 1.00 H new ATOM 0 HA THR A 212 -11.538 9.484 -3.269 1.00 1.00 H new ATOM 0 HB THR A 212 -9.935 7.762 -2.563 1.00 1.00 H new ATOM 0 HG1 THR A 212 -11.582 7.701 -0.338 1.00 1.00 H new ATOM 0 HG21 THR A 212 -9.202 7.644 -0.205 1.00 1.00 H new ATOM 0 HG22 THR A 212 -8.547 9.075 -1.038 1.00 1.00 H new ATOM 0 HG23 THR A 212 -9.916 9.248 0.085 1.00 1.00 H new ATOM 170 N PRO A 213 -12.794 10.692 -1.407 1.00 1.00 N ATOM 171 CA PRO A 213 -13.530 11.563 -0.481 1.00 1.00 C ATOM 172 C PRO A 213 -13.207 11.266 0.981 1.00 1.00 C ATOM 173 O PRO A 213 -13.216 12.160 1.830 1.00 1.00 O ATOM 174 CB PRO A 213 -15.001 11.249 -0.776 1.00 1.00 C ATOM 175 CG PRO A 213 -14.992 9.934 -1.477 1.00 1.00 C ATOM 176 CD PRO A 213 -13.702 9.886 -2.239 1.00 1.00 C ATOM 0 HA PRO A 213 -13.269 12.612 -0.624 1.00 1.00 H new ATOM 0 HB2 PRO A 213 -15.584 11.200 0.143 1.00 1.00 H new ATOM 0 HB3 PRO A 213 -15.451 12.023 -1.398 1.00 1.00 H new ATOM 0 HG2 PRO A 213 -15.056 9.111 -0.765 1.00 1.00 H new ATOM 0 HG3 PRO A 213 -15.846 9.843 -2.148 1.00 1.00 H new ATOM 0 HD2 PRO A 213 -13.341 8.864 -2.357 1.00 1.00 H new ATOM 0 HD3 PRO A 213 -13.809 10.304 -3.240 1.00 1.00 H new ATOM 184 N LEU A 214 -12.913 10.008 1.267 1.00 1.00 N ATOM 185 CA LEU A 214 -12.595 9.586 2.619 1.00 1.00 C ATOM 186 C LEU A 214 -11.662 8.387 2.579 1.00 1.00 C ATOM 187 O LEU A 214 -11.788 7.534 1.702 1.00 1.00 O ATOM 188 CB LEU A 214 -13.883 9.233 3.374 1.00 1.00 C ATOM 189 CG LEU A 214 -13.714 8.948 4.869 1.00 1.00 C ATOM 190 CD1 LEU A 214 -13.181 10.178 5.592 1.00 1.00 C ATOM 191 CD2 LEU A 214 -15.037 8.509 5.475 1.00 1.00 C ATOM 0 H LEU A 214 -12.888 9.258 0.576 1.00 1.00 H new ATOM 0 HA LEU A 214 -12.096 10.403 3.141 1.00 1.00 H new ATOM 0 HB2 LEU A 214 -14.589 10.055 3.256 1.00 1.00 H new ATOM 0 HB3 LEU A 214 -14.331 8.358 2.903 1.00 1.00 H new ATOM 0 HG LEU A 214 -12.991 8.141 4.987 1.00 1.00 H new ATOM 0 HD11 LEU A 214 -13.068 9.956 6.653 1.00 1.00 H new ATOM 0 HD12 LEU A 214 -12.213 10.455 5.174 1.00 1.00 H new ATOM 0 HD13 LEU A 214 -13.880 11.005 5.467 1.00 1.00 H new ATOM 0 HD21 LEU A 214 -14.902 8.310 6.538 1.00 1.00 H new ATOM 0 HD22 LEU A 214 -15.777 9.299 5.345 1.00 1.00 H new ATOM 0 HD23 LEU A 214 -15.382 7.603 4.977 1.00 1.00 H new ATOM 203 N TRP A 215 -10.715 8.340 3.507 1.00 1.00 N ATOM 204 CA TRP A 215 -9.770 7.236 3.579 1.00 1.00 C ATOM 205 C TRP A 215 -10.252 6.212 4.597 1.00 1.00 C ATOM 206 O TRP A 215 -10.636 6.567 5.717 1.00 1.00 O ATOM 207 CB TRP A 215 -8.373 7.742 3.954 1.00 1.00 C ATOM 208 CG TRP A 215 -7.684 8.470 2.837 1.00 1.00 C ATOM 209 CD1 TRP A 215 -7.683 9.817 2.610 1.00 1.00 C ATOM 210 CD2 TRP A 215 -6.894 7.887 1.795 1.00 1.00 C ATOM 211 NE1 TRP A 215 -6.948 10.104 1.486 1.00 1.00 N ATOM 212 CE2 TRP A 215 -6.453 8.936 0.969 1.00 1.00 C ATOM 213 CE3 TRP A 215 -6.519 6.581 1.478 1.00 1.00 C ATOM 214 CZ2 TRP A 215 -5.657 8.715 -0.150 1.00 1.00 C ATOM 215 CZ3 TRP A 215 -5.729 6.363 0.367 1.00 1.00 C ATOM 216 CH2 TRP A 215 -5.305 7.425 -0.437 1.00 1.00 C ATOM 0 H TRP A 215 -10.582 9.056 4.221 1.00 1.00 H new ATOM 0 HA TRP A 215 -9.708 6.764 2.599 1.00 1.00 H new ATOM 0 HB2 TRP A 215 -8.454 8.405 4.815 1.00 1.00 H new ATOM 0 HB3 TRP A 215 -7.758 6.896 4.260 1.00 1.00 H new ATOM 0 HD1 TRP A 215 -8.186 10.549 3.224 1.00 1.00 H new ATOM 0 HE1 TRP A 215 -6.795 11.035 1.099 1.00 1.00 H new ATOM 0 HE3 TRP A 215 -6.842 5.753 2.092 1.00 1.00 H new ATOM 0 HZ2 TRP A 215 -5.328 9.535 -0.771 1.00 1.00 H new ATOM 0 HZ3 TRP A 215 -5.434 5.355 0.115 1.00 1.00 H new ATOM 0 HH2 TRP A 215 -4.688 7.223 -1.300 1.00 1.00 H new ATOM 227 N ARG A 216 -10.247 4.947 4.208 1.00 1.00 N ATOM 228 CA ARG A 216 -10.697 3.877 5.087 1.00 1.00 C ATOM 229 C ARG A 216 -9.611 2.825 5.252 1.00 1.00 C ATOM 230 O ARG A 216 -8.624 2.822 4.522 1.00 1.00 O ATOM 231 CB ARG A 216 -11.974 3.238 4.534 1.00 1.00 C ATOM 232 CG ARG A 216 -13.208 3.530 5.373 1.00 1.00 C ATOM 233 CD ARG A 216 -13.395 5.023 5.586 1.00 1.00 C ATOM 234 NE ARG A 216 -14.247 5.310 6.738 1.00 1.00 N ATOM 235 CZ ARG A 216 -13.816 5.889 7.861 1.00 1.00 C ATOM 236 NH1 ARG A 216 -12.556 6.304 7.966 1.00 1.00 N ATOM 237 NH2 ARG A 216 -14.661 6.074 8.869 1.00 1.00 N ATOM 0 H ARG A 216 -9.936 4.635 3.288 1.00 1.00 H new ATOM 0 HA ARG A 216 -10.913 4.305 6.066 1.00 1.00 H new ATOM 0 HB2 ARG A 216 -12.141 3.597 3.519 1.00 1.00 H new ATOM 0 HB3 ARG A 216 -11.834 2.159 4.471 1.00 1.00 H new ATOM 0 HG2 ARG A 216 -14.089 3.118 4.882 1.00 1.00 H new ATOM 0 HG3 ARG A 216 -13.119 3.032 6.338 1.00 1.00 H new ATOM 0 HD2 ARG A 216 -12.422 5.493 5.729 1.00 1.00 H new ATOM 0 HD3 ARG A 216 -13.834 5.464 4.691 1.00 1.00 H new ATOM 0 HE ARG A 216 -15.232 5.052 6.680 1.00 1.00 H new ATOM 0 HH11 ARG A 216 -11.912 6.181 7.185 1.00 1.00 H new ATOM 0 HH12 ARG A 216 -12.235 6.745 8.828 1.00 1.00 H new ATOM 0 HH21 ARG A 216 -15.632 5.774 8.782 1.00 1.00 H new ATOM 0 HH22 ARG A 216 -14.339 6.516 9.730 1.00 1.00 H new ATOM 251 N ARG A 217 -9.788 1.939 6.215 1.00 1.00 N ATOM 252 CA ARG A 217 -8.813 0.890 6.461 1.00 1.00 C ATOM 253 C ARG A 217 -9.345 -0.464 6.011 1.00 1.00 C ATOM 254 O ARG A 217 -10.556 -0.684 5.963 1.00 1.00 O ATOM 255 CB ARG A 217 -8.444 0.837 7.943 1.00 1.00 C ATOM 256 CG ARG A 217 -7.821 2.123 8.457 1.00 1.00 C ATOM 257 CD ARG A 217 -7.451 2.017 9.926 1.00 1.00 C ATOM 258 NE ARG A 217 -6.144 1.394 10.129 1.00 1.00 N ATOM 259 CZ ARG A 217 -5.636 1.106 11.328 1.00 1.00 C ATOM 260 NH1 ARG A 217 -6.340 1.348 12.428 1.00 1.00 N ATOM 261 NH2 ARG A 217 -4.426 0.562 11.418 1.00 1.00 N ATOM 0 H ARG A 217 -10.595 1.924 6.838 1.00 1.00 H new ATOM 0 HA ARG A 217 -7.919 1.122 5.882 1.00 1.00 H new ATOM 0 HB2 ARG A 217 -9.339 0.618 8.525 1.00 1.00 H new ATOM 0 HB3 ARG A 217 -7.748 0.014 8.107 1.00 1.00 H new ATOM 0 HG2 ARG A 217 -6.931 2.355 7.873 1.00 1.00 H new ATOM 0 HG3 ARG A 217 -8.519 2.948 8.316 1.00 1.00 H new ATOM 0 HD2 ARG A 217 -7.449 3.013 10.370 1.00 1.00 H new ATOM 0 HD3 ARG A 217 -8.212 1.437 10.448 1.00 1.00 H new ATOM 0 HE ARG A 217 -5.588 1.166 9.305 1.00 1.00 H new ATOM 0 HH11 ARG A 217 -7.272 1.755 12.357 1.00 1.00 H new ATOM 0 HH12 ARG A 217 -5.948 1.126 13.343 1.00 1.00 H new ATOM 0 HH21 ARG A 217 -3.890 0.367 10.572 1.00 1.00 H new ATOM 0 HH22 ARG A 217 -4.033 0.340 12.333 1.00 1.00 H new ATOM 275 N ASP A 218 -8.435 -1.357 5.668 1.00 1.00 N ATOM 276 CA ASP A 218 -8.800 -2.697 5.233 1.00 1.00 C ATOM 277 C ASP A 218 -8.822 -3.644 6.439 1.00 1.00 C ATOM 278 O ASP A 218 -9.219 -3.245 7.535 1.00 1.00 O ATOM 279 CB ASP A 218 -7.822 -3.182 4.155 1.00 1.00 C ATOM 280 CG ASP A 218 -6.486 -3.608 4.722 1.00 1.00 C ATOM 281 OD1 ASP A 218 -5.848 -2.814 5.429 1.00 1.00 O ATOM 282 OD2 ASP A 218 -6.092 -4.767 4.494 1.00 1.00 O ATOM 0 H ASP A 218 -7.431 -1.179 5.682 1.00 1.00 H new ATOM 0 HA ASP A 218 -9.798 -2.682 4.796 1.00 1.00 H new ATOM 0 HB2 ASP A 218 -8.267 -4.020 3.618 1.00 1.00 H new ATOM 0 HB3 ASP A 218 -7.665 -2.385 3.428 1.00 1.00 H new ATOM 287 N ARG A 219 -8.425 -4.897 6.250 1.00 1.00 N ATOM 288 CA ARG A 219 -8.409 -5.855 7.345 1.00 1.00 C ATOM 289 C ARG A 219 -7.002 -6.025 7.915 1.00 1.00 C ATOM 290 O ARG A 219 -6.836 -6.550 9.013 1.00 1.00 O ATOM 291 CB ARG A 219 -8.975 -7.198 6.889 1.00 1.00 C ATOM 292 CG ARG A 219 -10.447 -7.138 6.501 1.00 1.00 C ATOM 293 CD ARG A 219 -11.338 -6.724 7.671 1.00 1.00 C ATOM 294 NE ARG A 219 -11.232 -5.293 7.979 1.00 1.00 N ATOM 295 CZ ARG A 219 -12.204 -4.571 8.533 1.00 1.00 C ATOM 296 NH1 ARG A 219 -13.359 -5.139 8.852 1.00 1.00 N ATOM 297 NH2 ARG A 219 -12.012 -3.281 8.775 1.00 1.00 N ATOM 0 H ARG A 219 -8.112 -5.270 5.354 1.00 1.00 H new ATOM 0 HA ARG A 219 -9.043 -5.465 8.141 1.00 1.00 H new ATOM 0 HB2 ARG A 219 -8.397 -7.556 6.037 1.00 1.00 H new ATOM 0 HB3 ARG A 219 -8.848 -7.927 7.689 1.00 1.00 H new ATOM 0 HG2 ARG A 219 -10.576 -6.431 5.681 1.00 1.00 H new ATOM 0 HG3 ARG A 219 -10.764 -8.114 6.133 1.00 1.00 H new ATOM 0 HD2 ARG A 219 -12.375 -6.966 7.437 1.00 1.00 H new ATOM 0 HD3 ARG A 219 -11.066 -7.303 8.553 1.00 1.00 H new ATOM 0 HE ARG A 219 -10.356 -4.821 7.754 1.00 1.00 H new ATOM 0 HH11 ARG A 219 -13.505 -6.132 8.673 1.00 1.00 H new ATOM 0 HH12 ARG A 219 -14.101 -4.582 9.276 1.00 1.00 H new ATOM 0 HH21 ARG A 219 -11.121 -2.844 8.537 1.00 1.00 H new ATOM 0 HH22 ARG A 219 -12.755 -2.726 9.199 1.00 1.00 H new ATOM 311 N THR A 220 -5.990 -5.577 7.172 1.00 1.00 N ATOM 312 CA THR A 220 -4.610 -5.678 7.637 1.00 1.00 C ATOM 313 C THR A 220 -4.235 -4.441 8.450 1.00 1.00 C ATOM 314 O THR A 220 -3.214 -4.417 9.138 1.00 1.00 O ATOM 315 CB THR A 220 -3.614 -5.852 6.467 1.00 1.00 C ATOM 316 OG1 THR A 220 -3.686 -4.731 5.573 1.00 1.00 O ATOM 317 CG2 THR A 220 -3.904 -7.137 5.705 1.00 1.00 C ATOM 0 H THR A 220 -6.099 -5.145 6.255 1.00 1.00 H new ATOM 0 HA THR A 220 -4.545 -6.566 8.266 1.00 1.00 H new ATOM 0 HB THR A 220 -2.608 -5.908 6.884 1.00 1.00 H new ATOM 0 HG1 THR A 220 -4.387 -4.889 4.906 1.00 1.00 H new ATOM 0 HG21 THR A 220 -3.193 -7.242 4.885 1.00 1.00 H new ATOM 0 HG22 THR A 220 -3.810 -7.989 6.379 1.00 1.00 H new ATOM 0 HG23 THR A 220 -4.917 -7.102 5.304 1.00 1.00 H new ATOM 325 N GLY A 221 -5.073 -3.413 8.363 1.00 1.00 N ATOM 326 CA GLY A 221 -4.826 -2.191 9.102 1.00 1.00 C ATOM 327 C GLY A 221 -4.203 -1.112 8.242 1.00 1.00 C ATOM 328 O GLY A 221 -3.689 -0.117 8.756 1.00 1.00 O ATOM 0 H GLY A 221 -5.919 -3.406 7.793 1.00 1.00 H new ATOM 0 HA2 GLY A 221 -5.765 -1.824 9.517 1.00 1.00 H new ATOM 0 HA3 GLY A 221 -4.168 -2.406 9.944 1.00 1.00 H new ATOM 332 N HIS A 222 -4.266 -1.299 6.935 1.00 1.00 N ATOM 333 CA HIS A 222 -3.701 -0.344 5.995 1.00 1.00 C ATOM 334 C HIS A 222 -4.738 0.701 5.610 1.00 1.00 C ATOM 335 O HIS A 222 -5.936 0.427 5.616 1.00 1.00 O ATOM 336 CB HIS A 222 -3.221 -1.058 4.728 1.00 1.00 C ATOM 337 CG HIS A 222 -1.980 -1.876 4.904 1.00 1.00 C ATOM 338 ND1 HIS A 222 -1.485 -2.695 3.915 1.00 1.00 N ATOM 339 CD2 HIS A 222 -1.117 -1.982 5.943 1.00 1.00 C ATOM 340 CE1 HIS A 222 -0.372 -3.265 4.334 1.00 1.00 C ATOM 341 NE2 HIS A 222 -0.124 -2.852 5.562 1.00 1.00 N ATOM 0 H HIS A 222 -4.706 -2.109 6.498 1.00 1.00 H new ATOM 0 HA HIS A 222 -2.855 0.144 6.480 1.00 1.00 H new ATOM 0 HB2 HIS A 222 -4.020 -1.707 4.368 1.00 1.00 H new ATOM 0 HB3 HIS A 222 -3.042 -0.313 3.953 1.00 1.00 H new ATOM 0 HD2 HIS A 222 -1.195 -1.476 6.894 1.00 1.00 H new ATOM 0 HE1 HIS A 222 0.235 -3.955 3.766 1.00 1.00 H new ATOM 0 HE2 HIS A 222 0.673 -3.132 6.134 1.00 1.00 H new ATOM 350 N TYR A 223 -4.272 1.900 5.289 1.00 1.00 N ATOM 351 CA TYR A 223 -5.156 2.977 4.870 1.00 1.00 C ATOM 352 C TYR A 223 -5.274 2.955 3.355 1.00 1.00 C ATOM 353 O TYR A 223 -4.288 3.168 2.649 1.00 1.00 O ATOM 354 CB TYR A 223 -4.623 4.332 5.342 1.00 1.00 C ATOM 355 CG TYR A 223 -4.942 4.642 6.786 1.00 1.00 C ATOM 356 CD1 TYR A 223 -4.183 4.103 7.816 1.00 1.00 C ATOM 357 CD2 TYR A 223 -6.005 5.472 7.118 1.00 1.00 C ATOM 358 CE1 TYR A 223 -4.472 4.383 9.138 1.00 1.00 C ATOM 359 CE2 TYR A 223 -6.303 5.758 8.438 1.00 1.00 C ATOM 360 CZ TYR A 223 -5.533 5.210 9.445 1.00 1.00 C ATOM 361 OH TYR A 223 -5.830 5.485 10.761 1.00 1.00 O ATOM 0 H TYR A 223 -3.284 2.151 5.311 1.00 1.00 H new ATOM 0 HA TYR A 223 -6.139 2.831 5.318 1.00 1.00 H new ATOM 0 HB2 TYR A 223 -3.542 4.355 5.205 1.00 1.00 H new ATOM 0 HB3 TYR A 223 -5.041 5.116 4.711 1.00 1.00 H new ATOM 0 HD1 TYR A 223 -3.353 3.454 7.580 1.00 1.00 H new ATOM 0 HD2 TYR A 223 -6.609 5.901 6.332 1.00 1.00 H new ATOM 0 HE1 TYR A 223 -3.870 3.957 9.927 1.00 1.00 H new ATOM 0 HE2 TYR A 223 -7.133 6.406 8.680 1.00 1.00 H new ATOM 0 HH TYR A 223 -6.605 6.084 10.803 1.00 1.00 H new ATOM 371 N LEU A 224 -6.467 2.679 2.863 1.00 1.00 N ATOM 372 CA LEU A 224 -6.701 2.600 1.431 1.00 1.00 C ATOM 373 C LEU A 224 -7.823 3.540 1.015 1.00 1.00 C ATOM 374 O LEU A 224 -8.513 4.109 1.865 1.00 1.00 O ATOM 375 CB LEU A 224 -7.040 1.158 1.036 1.00 1.00 C ATOM 376 CG LEU A 224 -6.011 0.110 1.471 1.00 1.00 C ATOM 377 CD1 LEU A 224 -6.456 -1.283 1.064 1.00 1.00 C ATOM 378 CD2 LEU A 224 -4.646 0.424 0.880 1.00 1.00 C ATOM 0 H LEU A 224 -7.293 2.505 3.435 1.00 1.00 H new ATOM 0 HA LEU A 224 -5.792 2.906 0.913 1.00 1.00 H new ATOM 0 HB2 LEU A 224 -8.007 0.897 1.466 1.00 1.00 H new ATOM 0 HB3 LEU A 224 -7.150 1.110 -0.047 1.00 1.00 H new ATOM 0 HG LEU A 224 -5.934 0.141 2.558 1.00 1.00 H new ATOM 0 HD11 LEU A 224 -5.710 -2.011 1.383 1.00 1.00 H new ATOM 0 HD12 LEU A 224 -7.412 -1.512 1.536 1.00 1.00 H new ATOM 0 HD13 LEU A 224 -6.566 -1.328 -0.019 1.00 1.00 H new ATOM 0 HD21 LEU A 224 -3.928 -0.331 1.200 1.00 1.00 H new ATOM 0 HD22 LEU A 224 -4.712 0.424 -0.208 1.00 1.00 H new ATOM 0 HD23 LEU A 224 -4.318 1.405 1.224 1.00 1.00 H new ATOM 390 N CYS A 225 -7.991 3.702 -0.291 1.00 1.00 N ATOM 391 CA CYS A 225 -9.017 4.573 -0.837 1.00 1.00 C ATOM 392 C CYS A 225 -10.405 4.067 -0.462 1.00 1.00 C ATOM 393 O CYS A 225 -11.049 4.570 0.459 1.00 1.00 O ATOM 394 CB CYS A 225 -8.872 4.626 -2.361 1.00 1.00 C ATOM 395 SG CYS A 225 -8.713 2.984 -3.149 1.00 1.00 S ATOM 0 H CYS A 225 -7.422 3.235 -0.997 1.00 1.00 H new ATOM 0 HA CYS A 225 -8.895 5.573 -0.421 1.00 1.00 H new ATOM 0 HB2 CYS A 225 -9.738 5.137 -2.781 1.00 1.00 H new ATOM 0 HB3 CYS A 225 -7.996 5.225 -2.612 1.00 1.00 H new ATOM 0 HG CYS A 225 -8.598 3.129 -4.436 1.00 1.00 H new ATOM 400 N ASN A 226 -10.839 3.064 -1.198 1.00 1.00 N ATOM 401 CA ASN A 226 -12.136 2.438 -0.994 1.00 1.00 C ATOM 402 C ASN A 226 -12.214 1.166 -1.815 1.00 1.00 C ATOM 403 O ASN A 226 -12.625 0.121 -1.318 1.00 1.00 O ATOM 404 CB ASN A 226 -13.279 3.384 -1.386 1.00 1.00 C ATOM 405 CG ASN A 226 -14.649 2.794 -1.095 1.00 1.00 C ATOM 406 OD1 ASN A 226 -15.112 2.802 0.045 1.00 1.00 O ATOM 407 ND2 ASN A 226 -15.312 2.290 -2.125 1.00 1.00 N ATOM 0 H ASN A 226 -10.300 2.655 -1.961 1.00 1.00 H new ATOM 0 HA ASN A 226 -12.244 2.203 0.065 1.00 1.00 H new ATOM 0 HB2 ASN A 226 -13.170 4.324 -0.845 1.00 1.00 H new ATOM 0 HB3 ASN A 226 -13.205 3.617 -2.448 1.00 1.00 H new ATOM 0 HD21 ASN A 226 -16.240 1.890 -1.988 1.00 1.00 H new ATOM 0 HD22 ASN A 226 -14.894 2.302 -3.055 1.00 1.00 H new ATOM 414 N ALA A 227 -11.784 1.258 -3.068 1.00 1.00 N ATOM 415 CA ALA A 227 -11.801 0.119 -3.976 1.00 1.00 C ATOM 416 C ALA A 227 -10.903 -0.996 -3.457 1.00 1.00 C ATOM 417 O ALA A 227 -11.358 -2.119 -3.225 1.00 1.00 O ATOM 418 CB ALA A 227 -11.364 0.552 -5.367 1.00 1.00 C ATOM 0 H ALA A 227 -11.417 2.116 -3.480 1.00 1.00 H new ATOM 0 HA ALA A 227 -12.820 -0.264 -4.033 1.00 1.00 H new ATOM 0 HB1 ALA A 227 -11.380 -0.307 -6.037 1.00 1.00 H new ATOM 0 HB2 ALA A 227 -12.045 1.317 -5.741 1.00 1.00 H new ATOM 0 HB3 ALA A 227 -10.353 0.957 -5.321 1.00 1.00 H new ATOM 424 N CYS A 228 -9.632 -0.673 -3.264 1.00 1.00 N ATOM 425 CA CYS A 228 -8.660 -1.627 -2.758 1.00 1.00 C ATOM 426 C CYS A 228 -9.019 -2.044 -1.330 1.00 1.00 C ATOM 427 O CYS A 228 -8.783 -3.186 -0.919 1.00 1.00 O ATOM 428 CB CYS A 228 -7.274 -0.988 -2.811 1.00 1.00 C ATOM 429 SG CYS A 228 -7.074 0.169 -4.208 1.00 1.00 S ATOM 0 H CYS A 228 -9.249 0.253 -3.453 1.00 1.00 H new ATOM 0 HA CYS A 228 -8.664 -2.526 -3.374 1.00 1.00 H new ATOM 0 HB2 CYS A 228 -7.089 -0.457 -1.877 1.00 1.00 H new ATOM 0 HB3 CYS A 228 -6.521 -1.773 -2.886 1.00 1.00 H new ATOM 0 HG CYS A 228 -7.645 1.301 -3.919 1.00 1.00 H new ATOM 434 N GLY A 229 -9.604 -1.108 -0.589 1.00 1.00 N ATOM 435 CA GLY A 229 -10.011 -1.378 0.774 1.00 1.00 C ATOM 436 C GLY A 229 -11.064 -2.462 0.839 1.00 1.00 C ATOM 437 O GLY A 229 -10.945 -3.411 1.618 1.00 1.00 O ATOM 0 H GLY A 229 -9.804 -0.162 -0.913 1.00 1.00 H new ATOM 0 HA2 GLY A 229 -9.143 -1.679 1.360 1.00 1.00 H new ATOM 0 HA3 GLY A 229 -10.400 -0.465 1.225 1.00 1.00 H new ATOM 441 N LEU A 230 -12.087 -2.328 0.003 1.00 1.00 N ATOM 442 CA LEU A 230 -13.165 -3.306 -0.052 1.00 1.00 C ATOM 443 C LEU A 230 -12.651 -4.618 -0.617 1.00 1.00 C ATOM 444 O LEU A 230 -13.034 -5.693 -0.158 1.00 1.00 O ATOM 445 CB LEU A 230 -14.320 -2.795 -0.911 1.00 1.00 C ATOM 446 CG LEU A 230 -15.063 -1.583 -0.352 1.00 1.00 C ATOM 447 CD1 LEU A 230 -16.089 -1.081 -1.354 1.00 1.00 C ATOM 448 CD2 LEU A 230 -15.728 -1.926 0.973 1.00 1.00 C ATOM 0 H LEU A 230 -12.192 -1.549 -0.647 1.00 1.00 H new ATOM 0 HA LEU A 230 -13.530 -3.466 0.963 1.00 1.00 H new ATOM 0 HB2 LEU A 230 -13.932 -2.540 -1.897 1.00 1.00 H new ATOM 0 HB3 LEU A 230 -15.035 -3.606 -1.050 1.00 1.00 H new ATOM 0 HG LEU A 230 -14.340 -0.787 -0.173 1.00 1.00 H new ATOM 0 HD11 LEU A 230 -16.609 -0.217 -0.940 1.00 1.00 H new ATOM 0 HD12 LEU A 230 -15.586 -0.793 -2.277 1.00 1.00 H new ATOM 0 HD13 LEU A 230 -16.809 -1.872 -1.565 1.00 1.00 H new ATOM 0 HD21 LEU A 230 -16.252 -1.050 1.355 1.00 1.00 H new ATOM 0 HD22 LEU A 230 -16.440 -2.738 0.823 1.00 1.00 H new ATOM 0 HD23 LEU A 230 -14.969 -2.237 1.691 1.00 1.00 H new ATOM 460 N TYR A 231 -11.771 -4.521 -1.609 1.00 1.00 N ATOM 461 CA TYR A 231 -11.186 -5.699 -2.235 1.00 1.00 C ATOM 462 C TYR A 231 -10.477 -6.560 -1.195 1.00 1.00 C ATOM 463 O TYR A 231 -10.662 -7.775 -1.149 1.00 1.00 O ATOM 464 CB TYR A 231 -10.204 -5.285 -3.336 1.00 1.00 C ATOM 465 CG TYR A 231 -9.363 -6.427 -3.871 1.00 1.00 C ATOM 466 CD1 TYR A 231 -9.952 -7.496 -4.535 1.00 1.00 C ATOM 467 CD2 TYR A 231 -7.984 -6.439 -3.704 1.00 1.00 C ATOM 468 CE1 TYR A 231 -9.191 -8.545 -5.017 1.00 1.00 C ATOM 469 CE2 TYR A 231 -7.216 -7.483 -4.186 1.00 1.00 C ATOM 470 CZ TYR A 231 -7.825 -8.533 -4.841 1.00 1.00 C ATOM 471 OH TYR A 231 -7.064 -9.578 -5.315 1.00 1.00 O ATOM 0 H TYR A 231 -11.447 -3.635 -1.997 1.00 1.00 H new ATOM 0 HA TYR A 231 -11.988 -6.285 -2.683 1.00 1.00 H new ATOM 0 HB2 TYR A 231 -10.763 -4.842 -4.160 1.00 1.00 H new ATOM 0 HB3 TYR A 231 -9.542 -4.511 -2.947 1.00 1.00 H new ATOM 0 HD1 TYR A 231 -11.023 -7.508 -4.677 1.00 1.00 H new ATOM 0 HD2 TYR A 231 -7.504 -5.620 -3.189 1.00 1.00 H new ATOM 0 HE1 TYR A 231 -9.665 -9.369 -5.529 1.00 1.00 H new ATOM 0 HE2 TYR A 231 -6.145 -7.476 -4.050 1.00 1.00 H new ATOM 0 HH TYR A 231 -6.120 -9.414 -5.110 1.00 1.00 H new ATOM 481 N HIS A 232 -9.677 -5.918 -0.349 1.00 1.00 N ATOM 482 CA HIS A 232 -8.941 -6.624 0.694 1.00 1.00 C ATOM 483 C HIS A 232 -9.894 -7.202 1.736 1.00 1.00 C ATOM 484 O HIS A 232 -9.659 -8.286 2.270 1.00 1.00 O ATOM 485 CB HIS A 232 -7.934 -5.687 1.363 1.00 1.00 C ATOM 486 CG HIS A 232 -6.520 -6.165 1.268 1.00 1.00 C ATOM 487 ND1 HIS A 232 -5.597 -5.969 2.267 1.00 1.00 N ATOM 488 CD2 HIS A 232 -5.867 -6.823 0.282 1.00 1.00 C ATOM 489 CE1 HIS A 232 -4.441 -6.480 1.904 1.00 1.00 C ATOM 490 NE2 HIS A 232 -4.575 -7.006 0.703 1.00 1.00 N ATOM 0 H HIS A 232 -9.522 -4.910 -0.365 1.00 1.00 H new ATOM 0 HA HIS A 232 -8.400 -7.448 0.229 1.00 1.00 H new ATOM 0 HB2 HIS A 232 -8.007 -4.701 0.905 1.00 1.00 H new ATOM 0 HB3 HIS A 232 -8.200 -5.571 2.414 1.00 1.00 H new ATOM 0 HD1 HIS A 232 -5.780 -5.499 3.154 1.00 1.00 H new ATOM 0 HD2 HIS A 232 -6.285 -7.144 -0.660 1.00 1.00 H new ATOM 0 HE1 HIS A 232 -3.535 -6.470 2.491 1.00 1.00 H new ATOM 499 N LYS A 233 -10.982 -6.482 2.003 1.00 1.00 N ATOM 500 CA LYS A 233 -11.978 -6.918 2.981 1.00 1.00 C ATOM 501 C LYS A 233 -12.731 -8.150 2.483 1.00 1.00 C ATOM 502 O LYS A 233 -13.040 -9.058 3.257 1.00 1.00 O ATOM 503 CB LYS A 233 -12.971 -5.785 3.270 1.00 1.00 C ATOM 504 CG LYS A 233 -12.437 -4.722 4.218 1.00 1.00 C ATOM 505 CD LYS A 233 -13.318 -3.484 4.223 1.00 1.00 C ATOM 506 CE LYS A 233 -12.987 -2.577 5.398 1.00 1.00 C ATOM 507 NZ LYS A 233 -13.506 -1.197 5.210 1.00 1.00 N ATOM 0 H LYS A 233 -11.197 -5.591 1.555 1.00 1.00 H new ATOM 0 HA LYS A 233 -11.454 -7.180 3.900 1.00 1.00 H new ATOM 0 HB2 LYS A 233 -13.250 -5.311 2.329 1.00 1.00 H new ATOM 0 HB3 LYS A 233 -13.880 -6.212 3.694 1.00 1.00 H new ATOM 0 HG2 LYS A 233 -12.377 -5.130 5.227 1.00 1.00 H new ATOM 0 HG3 LYS A 233 -11.424 -4.447 3.924 1.00 1.00 H new ATOM 0 HD2 LYS A 233 -13.186 -2.937 3.290 1.00 1.00 H new ATOM 0 HD3 LYS A 233 -14.366 -3.780 4.273 1.00 1.00 H new ATOM 0 HE2 LYS A 233 -13.408 -3.000 6.310 1.00 1.00 H new ATOM 0 HE3 LYS A 233 -11.906 -2.541 5.533 1.00 1.00 H new ATOM 0 HZ1 LYS A 233 -12.741 -0.513 5.375 1.00 1.00 H new ATOM 0 HZ2 LYS A 233 -13.863 -1.090 4.239 1.00 1.00 H new ATOM 0 HZ3 LYS A 233 -14.279 -1.022 5.884 1.00 1.00 H new ATOM 521 N MET A 234 -13.014 -8.176 1.188 1.00 1.00 N ATOM 522 CA MET A 234 -13.737 -9.288 0.583 1.00 1.00 C ATOM 523 C MET A 234 -12.815 -10.472 0.324 1.00 1.00 C ATOM 524 O MET A 234 -13.182 -11.617 0.583 1.00 1.00 O ATOM 525 CB MET A 234 -14.400 -8.845 -0.724 1.00 1.00 C ATOM 526 CG MET A 234 -15.570 -7.897 -0.518 1.00 1.00 C ATOM 527 SD MET A 234 -16.328 -7.371 -2.068 1.00 1.00 S ATOM 528 CE MET A 234 -17.645 -6.323 -1.454 1.00 1.00 C ATOM 0 H MET A 234 -12.753 -7.438 0.534 1.00 1.00 H new ATOM 0 HA MET A 234 -14.508 -9.605 1.285 1.00 1.00 H new ATOM 0 HB2 MET A 234 -13.655 -8.359 -1.354 1.00 1.00 H new ATOM 0 HB3 MET A 234 -14.747 -9.726 -1.263 1.00 1.00 H new ATOM 0 HG2 MET A 234 -16.322 -8.386 0.101 1.00 1.00 H new ATOM 0 HG3 MET A 234 -15.228 -7.019 0.030 1.00 1.00 H new ATOM 0 HE1 MET A 234 -18.210 -5.918 -2.294 1.00 1.00 H new ATOM 0 HE2 MET A 234 -18.309 -6.908 -0.818 1.00 1.00 H new ATOM 0 HE3 MET A 234 -17.218 -5.504 -0.875 1.00 1.00 H new ATOM 538 N ASN A 235 -11.622 -10.198 -0.187 1.00 1.00 N ATOM 539 CA ASN A 235 -10.656 -11.254 -0.472 1.00 1.00 C ATOM 540 C ASN A 235 -10.215 -11.937 0.817 1.00 1.00 C ATOM 541 O ASN A 235 -10.296 -13.156 0.944 1.00 1.00 O ATOM 542 CB ASN A 235 -9.434 -10.681 -1.205 1.00 1.00 C ATOM 543 CG ASN A 235 -8.504 -11.755 -1.756 1.00 1.00 C ATOM 544 OD1 ASN A 235 -8.398 -12.854 -1.214 1.00 1.00 O ATOM 545 ND2 ASN A 235 -7.820 -11.444 -2.843 1.00 1.00 N ATOM 0 H ASN A 235 -11.299 -9.257 -0.413 1.00 1.00 H new ATOM 0 HA ASN A 235 -11.137 -11.992 -1.114 1.00 1.00 H new ATOM 0 HB2 ASN A 235 -9.774 -10.049 -2.025 1.00 1.00 H new ATOM 0 HB3 ASN A 235 -8.875 -10.042 -0.521 1.00 1.00 H new ATOM 0 HD21 ASN A 235 -7.182 -12.124 -3.256 1.00 1.00 H new ATOM 0 HD22 ASN A 235 -7.930 -10.524 -3.269 1.00 1.00 H new ATOM 552 N GLY A 236 -9.760 -11.146 1.775 1.00 1.00 N ATOM 553 CA GLY A 236 -9.302 -11.698 3.032 1.00 1.00 C ATOM 554 C GLY A 236 -7.796 -11.823 3.065 1.00 1.00 C ATOM 555 O GLY A 236 -7.163 -11.558 4.090 1.00 1.00 O ATOM 0 H GLY A 236 -9.699 -10.130 1.705 1.00 1.00 H new ATOM 0 HA2 GLY A 236 -9.634 -11.062 3.853 1.00 1.00 H new ATOM 0 HA3 GLY A 236 -9.753 -12.678 3.186 1.00 1.00 H new ATOM 559 N GLN A 237 -7.222 -12.219 1.935 1.00 1.00 N ATOM 560 CA GLN A 237 -5.779 -12.370 1.818 1.00 1.00 C ATOM 561 C GLN A 237 -5.110 -11.006 1.718 1.00 1.00 C ATOM 562 O GLN A 237 -5.711 -10.044 1.233 1.00 1.00 O ATOM 563 CB GLN A 237 -5.418 -13.201 0.582 1.00 1.00 C ATOM 564 CG GLN A 237 -5.830 -14.659 0.671 1.00 1.00 C ATOM 565 CD GLN A 237 -5.320 -15.471 -0.504 1.00 1.00 C ATOM 566 OE1 GLN A 237 -5.987 -15.586 -1.532 1.00 1.00 O ATOM 567 NE2 GLN A 237 -4.132 -16.032 -0.363 1.00 1.00 N ATOM 0 H GLN A 237 -7.738 -12.442 1.084 1.00 1.00 H new ATOM 0 HA GLN A 237 -5.423 -12.885 2.710 1.00 1.00 H new ATOM 0 HB2 GLN A 237 -5.890 -12.754 -0.293 1.00 1.00 H new ATOM 0 HB3 GLN A 237 -4.341 -13.148 0.425 1.00 1.00 H new ATOM 0 HG2 GLN A 237 -5.449 -15.086 1.599 1.00 1.00 H new ATOM 0 HG3 GLN A 237 -6.917 -14.726 0.712 1.00 1.00 H new ATOM 0 HE21 GLN A 237 -3.611 -15.912 0.506 1.00 1.00 H new ATOM 0 HE22 GLN A 237 -3.736 -16.585 -1.123 1.00 1.00 H new ATOM 576 N ASN A 238 -3.878 -10.926 2.189 1.00 1.00 N ATOM 577 CA ASN A 238 -3.124 -9.685 2.134 1.00 1.00 C ATOM 578 C ASN A 238 -2.385 -9.594 0.811 1.00 1.00 C ATOM 579 O ASN A 238 -1.439 -10.376 0.608 1.00 1.00 O ATOM 580 CB ASN A 238 -2.134 -9.585 3.299 1.00 1.00 C ATOM 581 CG ASN A 238 -1.164 -8.425 3.137 1.00 1.00 C ATOM 582 OD1 ASN A 238 -1.501 -7.272 3.407 1.00 1.00 O ATOM 583 ND2 ASN A 238 0.050 -8.723 2.698 1.00 1.00 N ATOM 0 H ASN A 238 -3.378 -11.706 2.614 1.00 1.00 H new ATOM 0 HA ASN A 238 -3.824 -8.854 2.217 1.00 1.00 H new ATOM 0 HB2 ASN A 238 -2.685 -9.467 4.232 1.00 1.00 H new ATOM 0 HB3 ASN A 238 -1.573 -10.516 3.376 1.00 1.00 H new ATOM 0 HD21 ASN A 238 0.743 -7.985 2.573 1.00 1.00 H new ATOM 0 HD22 ASN A 238 0.292 -9.691 2.485 1.00 1.00 H new ATOM 591 N GLY B 1 25.183 -0.042 8.770 1.00 1.00 N ATOM 592 CA GLY B 1 24.216 -1.080 9.193 1.00 1.00 C ATOM 593 C GLY B 1 23.165 -1.339 8.137 1.00 1.00 C ATOM 594 O GLY B 1 23.500 -1.610 6.982 1.00 1.00 O ATOM 0 H1 GLY B 1 25.886 0.105 9.522 1.00 1.00 H new ATOM 0 H2 GLY B 1 25.665 -0.350 7.901 1.00 1.00 H new ATOM 0 H3 GLY B 1 24.679 0.849 8.589 1.00 1.00 H new ATOM 0 HA2 GLY B 1 24.749 -2.006 9.409 1.00 1.00 H new ATOM 0 HA3 GLY B 1 23.731 -0.768 10.118 1.00 1.00 H new ATOM 600 N SER B 2 21.896 -1.276 8.546 1.00 1.00 N ATOM 601 CA SER B 2 20.758 -1.487 7.650 1.00 1.00 C ATOM 602 C SER B 2 20.657 -2.944 7.199 1.00 1.00 C ATOM 603 O SER B 2 19.859 -3.283 6.325 1.00 1.00 O ATOM 604 CB SER B 2 20.839 -0.552 6.439 1.00 1.00 C ATOM 605 OG SER B 2 20.924 0.805 6.849 1.00 1.00 O ATOM 0 H SER B 2 21.629 -1.077 9.510 1.00 1.00 H new ATOM 0 HA SER B 2 19.853 -1.252 8.210 1.00 1.00 H new ATOM 0 HB2 SER B 2 21.709 -0.808 5.835 1.00 1.00 H new ATOM 0 HB3 SER B 2 19.961 -0.691 5.808 1.00 1.00 H new ATOM 0 HG SER B 2 20.976 1.383 6.059 1.00 1.00 H new ATOM 611 N LEU B 3 21.453 -3.809 7.810 1.00 1.00 N ATOM 612 CA LEU B 3 21.422 -5.219 7.474 1.00 1.00 C ATOM 613 C LEU B 3 20.182 -5.844 8.098 1.00 1.00 C ATOM 614 O LEU B 3 19.976 -5.735 9.307 1.00 1.00 O ATOM 615 CB LEU B 3 22.693 -5.923 7.959 1.00 1.00 C ATOM 616 CG LEU B 3 23.988 -5.455 7.286 1.00 1.00 C ATOM 617 CD1 LEU B 3 25.183 -6.194 7.866 1.00 1.00 C ATOM 618 CD2 LEU B 3 23.910 -5.663 5.779 1.00 1.00 C ATOM 0 H LEU B 3 22.124 -3.558 8.537 1.00 1.00 H new ATOM 0 HA LEU B 3 21.381 -5.335 6.391 1.00 1.00 H new ATOM 0 HB2 LEU B 3 22.785 -5.773 9.035 1.00 1.00 H new ATOM 0 HB3 LEU B 3 22.582 -6.995 7.794 1.00 1.00 H new ATOM 0 HG LEU B 3 24.114 -4.390 7.480 1.00 1.00 H new ATOM 0 HD11 LEU B 3 26.095 -5.851 7.378 1.00 1.00 H new ATOM 0 HD12 LEU B 3 25.248 -5.997 8.936 1.00 1.00 H new ATOM 0 HD13 LEU B 3 25.064 -7.265 7.700 1.00 1.00 H new ATOM 0 HD21 LEU B 3 24.838 -5.325 5.317 1.00 1.00 H new ATOM 0 HD22 LEU B 3 23.762 -6.721 5.565 1.00 1.00 H new ATOM 0 HD23 LEU B 3 23.074 -5.091 5.376 1.00 1.00 H new ATOM 630 N LEU B 4 19.344 -6.457 7.259 1.00 1.00 N ATOM 631 CA LEU B 4 18.094 -7.076 7.711 1.00 1.00 C ATOM 632 C LEU B 4 17.119 -6.002 8.192 1.00 1.00 C ATOM 633 O LEU B 4 16.163 -6.287 8.911 1.00 1.00 O ATOM 634 CB LEU B 4 18.348 -8.105 8.828 1.00 1.00 C ATOM 635 CG LEU B 4 18.630 -9.539 8.364 1.00 1.00 C ATOM 636 CD1 LEU B 4 17.552 -10.014 7.399 1.00 1.00 C ATOM 637 CD2 LEU B 4 20.013 -9.643 7.729 1.00 1.00 C ATOM 0 H LEU B 4 19.510 -6.539 6.256 1.00 1.00 H new ATOM 0 HA LEU B 4 17.655 -7.604 6.865 1.00 1.00 H new ATOM 0 HB2 LEU B 4 19.194 -7.764 9.425 1.00 1.00 H new ATOM 0 HB3 LEU B 4 17.479 -8.121 9.486 1.00 1.00 H new ATOM 0 HG LEU B 4 18.613 -10.189 9.239 1.00 1.00 H new ATOM 0 HD11 LEU B 4 17.771 -11.034 7.082 1.00 1.00 H new ATOM 0 HD12 LEU B 4 16.582 -9.989 7.896 1.00 1.00 H new ATOM 0 HD13 LEU B 4 17.530 -9.360 6.527 1.00 1.00 H new ATOM 0 HD21 LEU B 4 20.190 -10.670 7.408 1.00 1.00 H new ATOM 0 HD22 LEU B 4 20.068 -8.979 6.867 1.00 1.00 H new ATOM 0 HD23 LEU B 4 20.771 -9.355 8.458 1.00 1.00 H new ATOM 649 N LYS B 5 17.362 -4.765 7.775 1.00 1.00 N ATOM 650 CA LYS B 5 16.525 -3.640 8.162 1.00 1.00 C ATOM 651 C LYS B 5 16.127 -2.820 6.944 1.00 1.00 C ATOM 652 O LYS B 5 16.981 -2.382 6.174 1.00 1.00 O ATOM 653 CB LYS B 5 17.258 -2.750 9.167 1.00 1.00 C ATOM 654 CG LYS B 5 16.883 -3.021 10.614 1.00 1.00 C ATOM 655 CD LYS B 5 16.380 -1.759 11.297 1.00 1.00 C ATOM 656 CE LYS B 5 15.001 -1.362 10.793 1.00 1.00 C ATOM 657 NZ LYS B 5 14.652 0.030 11.177 1.00 1.00 N ATOM 0 H LYS B 5 18.140 -4.516 7.163 1.00 1.00 H new ATOM 0 HA LYS B 5 15.623 -4.035 8.628 1.00 1.00 H new ATOM 0 HB2 LYS B 5 18.332 -2.891 9.047 1.00 1.00 H new ATOM 0 HB3 LYS B 5 17.046 -1.706 8.936 1.00 1.00 H new ATOM 0 HG2 LYS B 5 16.113 -3.791 10.655 1.00 1.00 H new ATOM 0 HG3 LYS B 5 17.749 -3.408 11.151 1.00 1.00 H new ATOM 0 HD2 LYS B 5 16.342 -1.918 12.375 1.00 1.00 H new ATOM 0 HD3 LYS B 5 17.082 -0.944 11.119 1.00 1.00 H new ATOM 0 HE2 LYS B 5 14.969 -1.458 9.708 1.00 1.00 H new ATOM 0 HE3 LYS B 5 14.256 -2.048 11.196 1.00 1.00 H new ATOM 0 HZ1 LYS B 5 13.705 0.263 10.815 1.00 1.00 H new ATOM 0 HZ2 LYS B 5 14.657 0.116 12.213 1.00 1.00 H new ATOM 0 HZ3 LYS B 5 15.349 0.687 10.772 1.00 1.00 H new ATOM 671 N PRO B 6 14.816 -2.623 6.744 1.00 1.00 N ATOM 672 CA PRO B 6 14.296 -1.845 5.618 1.00 1.00 C ATOM 673 C PRO B 6 14.584 -0.352 5.770 1.00 1.00 C ATOM 674 O PRO B 6 13.922 0.349 6.536 1.00 1.00 O ATOM 675 CB PRO B 6 12.788 -2.116 5.655 1.00 1.00 C ATOM 676 CG PRO B 6 12.500 -2.475 7.072 1.00 1.00 C ATOM 677 CD PRO B 6 13.734 -3.164 7.589 1.00 1.00 C ATOM 0 HA PRO B 6 14.761 -2.129 4.674 1.00 1.00 H new ATOM 0 HB2 PRO B 6 12.221 -1.238 5.346 1.00 1.00 H new ATOM 0 HB3 PRO B 6 12.515 -2.926 4.978 1.00 1.00 H new ATOM 0 HG2 PRO B 6 12.275 -1.586 7.661 1.00 1.00 H new ATOM 0 HG3 PRO B 6 11.631 -3.130 7.139 1.00 1.00 H new ATOM 0 HD2 PRO B 6 13.902 -2.946 8.644 1.00 1.00 H new ATOM 0 HD3 PRO B 6 13.657 -4.247 7.496 1.00 1.00 H new ATOM 685 N ALA B 7 15.584 0.127 5.048 1.00 1.00 N ATOM 686 CA ALA B 7 15.957 1.533 5.111 1.00 1.00 C ATOM 687 C ALA B 7 15.543 2.267 3.841 1.00 1.00 C ATOM 688 O ALA B 7 15.927 3.415 3.617 1.00 1.00 O ATOM 689 CB ALA B 7 17.456 1.670 5.345 1.00 1.00 C ATOM 0 H ALA B 7 16.151 -0.434 4.413 1.00 1.00 H new ATOM 0 HA ALA B 7 15.429 1.989 5.948 1.00 1.00 H new ATOM 0 HB1 ALA B 7 17.722 2.726 5.390 1.00 1.00 H new ATOM 0 HB2 ALA B 7 17.723 1.188 6.285 1.00 1.00 H new ATOM 0 HB3 ALA B 7 17.997 1.194 4.527 1.00 1.00 H new ATOM 695 N ARG B 8 14.754 1.601 3.012 1.00 1.00 N ATOM 696 CA ARG B 8 14.291 2.191 1.766 1.00 1.00 C ATOM 697 C ARG B 8 12.772 2.233 1.716 1.00 1.00 C ATOM 698 O ARG B 8 12.104 1.220 1.928 1.00 1.00 O ATOM 699 CB ARG B 8 14.833 1.415 0.564 1.00 1.00 C ATOM 700 CG ARG B 8 16.280 1.742 0.234 1.00 1.00 C ATOM 701 CD ARG B 8 16.451 3.215 -0.108 1.00 1.00 C ATOM 702 NE ARG B 8 17.842 3.557 -0.401 1.00 1.00 N ATOM 703 CZ ARG B 8 18.360 4.776 -0.259 1.00 1.00 C ATOM 704 NH1 ARG B 8 17.605 5.771 0.194 1.00 1.00 N ATOM 705 NH2 ARG B 8 19.632 4.992 -0.573 1.00 1.00 N ATOM 0 H ARG B 8 14.421 0.652 3.180 1.00 1.00 H new ATOM 0 HA ARG B 8 14.668 3.213 1.722 1.00 1.00 H new ATOM 0 HB2 ARG B 8 14.746 0.347 0.762 1.00 1.00 H new ATOM 0 HB3 ARG B 8 14.213 1.629 -0.306 1.00 1.00 H new ATOM 0 HG2 ARG B 8 16.915 1.488 1.083 1.00 1.00 H new ATOM 0 HG3 ARG B 8 16.611 1.131 -0.606 1.00 1.00 H new ATOM 0 HD2 ARG B 8 15.829 3.461 -0.969 1.00 1.00 H new ATOM 0 HD3 ARG B 8 16.097 3.823 0.725 1.00 1.00 H new ATOM 0 HE ARG B 8 18.455 2.814 -0.736 1.00 1.00 H new ATOM 0 HH11 ARG B 8 16.628 5.602 0.433 1.00 1.00 H new ATOM 0 HH12 ARG B 8 18.002 6.704 0.302 1.00 1.00 H new ATOM 0 HH21 ARG B 8 20.208 4.226 -0.921 1.00 1.00 H new ATOM 0 HH22 ARG B 8 20.033 5.924 -0.466 1.00 1.00 H new ATOM 719 N PHE B 9 12.234 3.409 1.434 1.00 1.00 N ATOM 720 CA PHE B 9 10.787 3.590 1.350 1.00 1.00 C ATOM 721 C PHE B 9 10.397 4.162 -0.007 1.00 1.00 C ATOM 722 O PHE B 9 9.343 4.779 -0.164 1.00 1.00 O ATOM 723 CB PHE B 9 10.282 4.492 2.488 1.00 1.00 C ATOM 724 CG PHE B 9 11.217 5.608 2.862 1.00 1.00 C ATOM 725 CD1 PHE B 9 11.150 6.832 2.218 1.00 1.00 C ATOM 726 CD2 PHE B 9 12.159 5.434 3.864 1.00 1.00 C ATOM 727 CE1 PHE B 9 12.003 7.861 2.564 1.00 1.00 C ATOM 728 CE2 PHE B 9 13.015 6.460 4.215 1.00 1.00 C ATOM 729 CZ PHE B 9 12.937 7.675 3.564 1.00 1.00 C ATOM 0 H PHE B 9 12.775 4.256 1.259 1.00 1.00 H new ATOM 0 HA PHE B 9 10.314 2.614 1.458 1.00 1.00 H new ATOM 0 HB2 PHE B 9 9.323 4.921 2.196 1.00 1.00 H new ATOM 0 HB3 PHE B 9 10.101 3.876 3.369 1.00 1.00 H new ATOM 0 HD1 PHE B 9 10.421 6.984 1.435 1.00 1.00 H new ATOM 0 HD2 PHE B 9 12.224 4.485 4.376 1.00 1.00 H new ATOM 0 HE1 PHE B 9 11.940 8.810 2.053 1.00 1.00 H new ATOM 0 HE2 PHE B 9 13.744 6.312 4.998 1.00 1.00 H new ATOM 0 HZ PHE B 9 13.605 8.479 3.836 1.00 1.00 H new ATOM 739 N MET B 10 11.252 3.934 -0.988 1.00 1.00 N ATOM 740 CA MET B 10 11.020 4.415 -2.340 1.00 1.00 C ATOM 741 C MET B 10 11.264 3.296 -3.342 1.00 1.00 C ATOM 742 O MET B 10 12.303 2.637 -3.301 1.00 1.00 O ATOM 743 CB MET B 10 11.937 5.604 -2.647 1.00 1.00 C ATOM 744 CG MET B 10 11.929 6.024 -4.111 1.00 1.00 C ATOM 745 SD MET B 10 13.198 7.249 -4.486 1.00 1.00 S ATOM 746 CE MET B 10 13.065 7.333 -6.271 1.00 1.00 C ATOM 0 H MET B 10 12.122 3.414 -0.872 1.00 1.00 H new ATOM 0 HA MET B 10 9.984 4.743 -2.420 1.00 1.00 H new ATOM 0 HB2 MET B 10 11.634 6.453 -2.034 1.00 1.00 H new ATOM 0 HB3 MET B 10 12.956 5.349 -2.357 1.00 1.00 H new ATOM 0 HG2 MET B 10 12.080 5.146 -4.738 1.00 1.00 H new ATOM 0 HG3 MET B 10 10.950 6.431 -4.363 1.00 1.00 H new ATOM 0 HE1 MET B 10 13.789 8.051 -6.656 1.00 1.00 H new ATOM 0 HE2 MET B 10 13.267 6.350 -6.698 1.00 1.00 H new ATOM 0 HE3 MET B 10 12.059 7.648 -6.546 1.00 1.00 H new ATOM 756 N CYS B 11 10.298 3.073 -4.224 1.00 1.00 N ATOM 757 CA CYS B 11 10.421 2.036 -5.233 1.00 1.00 C ATOM 758 C CYS B 11 11.258 2.528 -6.405 1.00 1.00 C ATOM 759 O CYS B 11 11.006 3.598 -6.966 1.00 1.00 O ATOM 760 CB CYS B 11 9.043 1.590 -5.724 1.00 1.00 C ATOM 761 SG CYS B 11 9.078 0.125 -6.811 1.00 1.00 S ATOM 0 H CYS B 11 9.423 3.597 -4.259 1.00 1.00 H new ATOM 0 HA CYS B 11 10.921 1.181 -4.778 1.00 1.00 H new ATOM 0 HB2 CYS B 11 8.414 1.374 -4.861 1.00 1.00 H new ATOM 0 HB3 CYS B 11 8.575 2.416 -6.260 1.00 1.00 H new ATOM 0 HG CYS B 11 8.451 -0.858 -6.235 1.00 1.00 H new ATOM 766 N LEU B 12 12.256 1.744 -6.759 1.00 1.00 N ATOM 767 CA LEU B 12 13.130 2.076 -7.870 1.00 1.00 C ATOM 768 C LEU B 12 12.531 1.579 -9.193 1.00 1.00 C ATOM 769 O LEU B 12 12.390 2.363 -10.132 1.00 1.00 O ATOM 770 CB LEU B 12 14.536 1.494 -7.661 1.00 1.00 C ATOM 771 CG LEU B 12 15.227 1.900 -6.355 1.00 1.00 C ATOM 772 CD1 LEU B 12 16.522 1.121 -6.171 1.00 1.00 C ATOM 773 CD2 LEU B 12 15.495 3.400 -6.332 1.00 1.00 C ATOM 0 H LEU B 12 12.484 0.867 -6.291 1.00 1.00 H new ATOM 0 HA LEU B 12 13.219 3.161 -7.916 1.00 1.00 H new ATOM 0 HB2 LEU B 12 14.469 0.407 -7.694 1.00 1.00 H new ATOM 0 HB3 LEU B 12 15.166 1.801 -8.496 1.00 1.00 H new ATOM 0 HG LEU B 12 14.561 1.660 -5.526 1.00 1.00 H new ATOM 0 HD11 LEU B 12 16.999 1.423 -5.238 1.00 1.00 H new ATOM 0 HD12 LEU B 12 16.303 0.054 -6.138 1.00 1.00 H new ATOM 0 HD13 LEU B 12 17.193 1.328 -7.005 1.00 1.00 H new ATOM 0 HD21 LEU B 12 15.986 3.668 -5.396 1.00 1.00 H new ATOM 0 HD22 LEU B 12 16.139 3.667 -7.169 1.00 1.00 H new ATOM 0 HD23 LEU B 12 14.551 3.939 -6.414 1.00 1.00 H new ATOM 785 N PRO B 13 12.164 0.274 -9.294 1.00 1.00 N ATOM 786 CA PRO B 13 11.581 -0.288 -10.519 1.00 1.00 C ATOM 787 C PRO B 13 10.256 0.366 -10.899 1.00 1.00 C ATOM 788 O PRO B 13 10.120 0.892 -12.006 1.00 1.00 O ATOM 789 CB PRO B 13 11.367 -1.771 -10.185 1.00 1.00 C ATOM 790 CG PRO B 13 12.271 -2.033 -9.035 1.00 1.00 C ATOM 791 CD PRO B 13 12.300 -0.756 -8.250 1.00 1.00 C ATOM 0 HA PRO B 13 12.233 -0.123 -11.376 1.00 1.00 H new ATOM 0 HB2 PRO B 13 10.328 -1.972 -9.926 1.00 1.00 H new ATOM 0 HB3 PRO B 13 11.613 -2.408 -11.035 1.00 1.00 H new ATOM 0 HG2 PRO B 13 11.903 -2.859 -8.427 1.00 1.00 H new ATOM 0 HG3 PRO B 13 13.270 -2.307 -9.375 1.00 1.00 H new ATOM 0 HD2 PRO B 13 11.486 -0.708 -7.526 1.00 1.00 H new ATOM 0 HD3 PRO B 13 13.230 -0.646 -7.692 1.00 1.00 H new ATOM 799 N CYS B 14 9.287 0.343 -9.987 1.00 1.00 N ATOM 800 CA CYS B 14 7.980 0.930 -10.255 1.00 1.00 C ATOM 801 C CYS B 14 8.075 2.446 -10.364 1.00 1.00 C ATOM 802 O CYS B 14 7.691 3.035 -11.376 1.00 1.00 O ATOM 803 CB CYS B 14 6.984 0.547 -9.158 1.00 1.00 C ATOM 804 SG CYS B 14 6.759 -1.247 -8.945 1.00 1.00 S ATOM 0 H CYS B 14 9.383 -0.074 -9.061 1.00 1.00 H new ATOM 0 HA CYS B 14 7.626 0.536 -11.208 1.00 1.00 H new ATOM 0 HB2 CYS B 14 7.320 0.974 -8.213 1.00 1.00 H new ATOM 0 HB3 CYS B 14 6.018 0.998 -9.386 1.00 1.00 H new ATOM 0 HG CYS B 14 7.172 -1.599 -7.764 1.00 1.00 H new ATOM 809 N GLY B 15 8.591 3.069 -9.321 1.00 1.00 N ATOM 810 CA GLY B 15 8.727 4.510 -9.313 1.00 1.00 C ATOM 811 C GLY B 15 7.667 5.180 -8.466 1.00 1.00 C ATOM 812 O GLY B 15 7.798 6.348 -8.102 1.00 1.00 O ATOM 0 H GLY B 15 8.920 2.603 -8.476 1.00 1.00 H new ATOM 0 HA2 GLY B 15 9.714 4.778 -8.936 1.00 1.00 H new ATOM 0 HA3 GLY B 15 8.664 4.885 -10.335 1.00 1.00 H new ATOM 816 N ILE B 16 6.606 4.440 -8.157 1.00 1.00 N ATOM 817 CA ILE B 16 5.523 4.969 -7.341 1.00 1.00 C ATOM 818 C ILE B 16 5.964 5.037 -5.881 1.00 1.00 C ATOM 819 O ILE B 16 5.821 4.073 -5.126 1.00 1.00 O ATOM 820 CB ILE B 16 4.224 4.127 -7.453 1.00 1.00 C ATOM 821 CG1 ILE B 16 3.715 4.074 -8.899 1.00 1.00 C ATOM 822 CG2 ILE B 16 3.141 4.700 -6.552 1.00 1.00 C ATOM 823 CD1 ILE B 16 4.250 2.902 -9.695 1.00 1.00 C ATOM 0 H ILE B 16 6.475 3.475 -8.460 1.00 1.00 H new ATOM 0 HA ILE B 16 5.296 5.967 -7.716 1.00 1.00 H new ATOM 0 HB ILE B 16 4.461 3.112 -7.134 1.00 1.00 H new ATOM 0 HG12 ILE B 16 2.626 4.027 -8.889 1.00 1.00 H new ATOM 0 HG13 ILE B 16 3.990 5.000 -9.405 1.00 1.00 H new ATOM 0 HG21 ILE B 16 2.237 4.098 -6.642 1.00 1.00 H new ATOM 0 HG22 ILE B 16 3.484 4.687 -5.517 1.00 1.00 H new ATOM 0 HG23 ILE B 16 2.925 5.726 -6.850 1.00 1.00 H new ATOM 0 HD11 ILE B 16 3.845 2.934 -10.706 1.00 1.00 H new ATOM 0 HD12 ILE B 16 5.338 2.958 -9.738 1.00 1.00 H new ATOM 0 HD13 ILE B 16 3.953 1.970 -9.214 1.00 1.00 H new ATOM 835 N ALA B 17 6.538 6.168 -5.505 1.00 1.00 N ATOM 836 CA ALA B 17 7.005 6.373 -4.144 1.00 1.00 C ATOM 837 C ALA B 17 5.848 6.733 -3.221 1.00 1.00 C ATOM 838 O ALA B 17 4.943 7.481 -3.603 1.00 1.00 O ATOM 839 CB ALA B 17 8.073 7.456 -4.107 1.00 1.00 C ATOM 0 H ALA B 17 6.692 6.962 -6.127 1.00 1.00 H new ATOM 0 HA ALA B 17 7.443 5.440 -3.790 1.00 1.00 H new ATOM 0 HB1 ALA B 17 8.412 7.598 -3.081 1.00 1.00 H new ATOM 0 HB2 ALA B 17 8.916 7.157 -4.730 1.00 1.00 H new ATOM 0 HB3 ALA B 17 7.657 8.390 -4.484 1.00 1.00 H new ATOM 845 N PHE B 18 5.883 6.198 -2.010 1.00 1.00 N ATOM 846 CA PHE B 18 4.839 6.457 -1.030 1.00 1.00 C ATOM 847 C PHE B 18 5.364 7.345 0.086 1.00 1.00 C ATOM 848 O PHE B 18 6.464 7.889 -0.007 1.00 1.00 O ATOM 849 CB PHE B 18 4.306 5.145 -0.451 1.00 1.00 C ATOM 850 CG PHE B 18 3.451 4.371 -1.412 1.00 1.00 C ATOM 851 CD1 PHE B 18 2.793 5.011 -2.451 1.00 1.00 C ATOM 852 CD2 PHE B 18 3.304 3.003 -1.274 1.00 1.00 C ATOM 853 CE1 PHE B 18 2.006 4.298 -3.333 1.00 1.00 C ATOM 854 CE2 PHE B 18 2.519 2.287 -2.153 1.00 1.00 C ATOM 855 CZ PHE B 18 1.870 2.934 -3.183 1.00 1.00 C ATOM 0 H PHE B 18 6.625 5.580 -1.682 1.00 1.00 H new ATOM 0 HA PHE B 18 4.021 6.973 -1.533 1.00 1.00 H new ATOM 0 HB2 PHE B 18 5.148 4.524 -0.144 1.00 1.00 H new ATOM 0 HB3 PHE B 18 3.726 5.362 0.446 1.00 1.00 H new ATOM 0 HD1 PHE B 18 2.897 6.079 -2.572 1.00 1.00 H new ATOM 0 HD2 PHE B 18 3.809 2.490 -0.469 1.00 1.00 H new ATOM 0 HE1 PHE B 18 1.498 4.807 -4.139 1.00 1.00 H new ATOM 0 HE2 PHE B 18 2.413 1.219 -2.035 1.00 1.00 H new ATOM 0 HZ PHE B 18 1.256 2.373 -3.872 1.00 1.00 H new ATOM 865 N SER B 19 4.574 7.499 1.133 1.00 1.00 N ATOM 866 CA SER B 19 4.962 8.322 2.261 1.00 1.00 C ATOM 867 C SER B 19 4.957 7.498 3.543 1.00 1.00 C ATOM 868 O SER B 19 5.754 7.731 4.448 1.00 1.00 O ATOM 869 CB SER B 19 4.013 9.518 2.382 1.00 1.00 C ATOM 870 OG SER B 19 3.733 10.073 1.103 1.00 1.00 O ATOM 0 H SER B 19 3.657 7.063 1.224 1.00 1.00 H new ATOM 0 HA SER B 19 5.974 8.694 2.100 1.00 1.00 H new ATOM 0 HB2 SER B 19 3.084 9.204 2.858 1.00 1.00 H new ATOM 0 HB3 SER B 19 4.459 10.278 3.023 1.00 1.00 H new ATOM 0 HG SER B 19 3.124 10.834 1.203 1.00 1.00 H new ATOM 876 N SER B 20 4.071 6.520 3.605 1.00 1.00 N ATOM 877 CA SER B 20 3.963 5.667 4.773 1.00 1.00 C ATOM 878 C SER B 20 4.529 4.276 4.481 1.00 1.00 C ATOM 879 O SER B 20 4.308 3.720 3.405 1.00 1.00 O ATOM 880 CB SER B 20 2.498 5.576 5.197 1.00 1.00 C ATOM 881 OG SER B 20 1.830 6.810 4.972 1.00 1.00 O ATOM 0 H SER B 20 3.414 6.297 2.857 1.00 1.00 H new ATOM 0 HA SER B 20 4.546 6.098 5.587 1.00 1.00 H new ATOM 0 HB2 SER B 20 2.002 4.782 4.639 1.00 1.00 H new ATOM 0 HB3 SER B 20 2.436 5.311 6.252 1.00 1.00 H new ATOM 0 HG SER B 20 1.277 6.740 4.166 1.00 1.00 H new ATOM 887 N PRO B 21 5.284 3.701 5.429 1.00 1.00 N ATOM 888 CA PRO B 21 5.877 2.367 5.269 1.00 1.00 C ATOM 889 C PRO B 21 4.820 1.267 5.172 1.00 1.00 C ATOM 890 O PRO B 21 5.022 0.259 4.494 1.00 1.00 O ATOM 891 CB PRO B 21 6.721 2.191 6.537 1.00 1.00 C ATOM 892 CG PRO B 21 6.144 3.147 7.521 1.00 1.00 C ATOM 893 CD PRO B 21 5.640 4.310 6.720 1.00 1.00 C ATOM 0 HA PRO B 21 6.453 2.289 4.347 1.00 1.00 H new ATOM 0 HB2 PRO B 21 6.670 1.167 6.906 1.00 1.00 H new ATOM 0 HB3 PRO B 21 7.772 2.409 6.345 1.00 1.00 H new ATOM 0 HG2 PRO B 21 5.336 2.684 8.087 1.00 1.00 H new ATOM 0 HG3 PRO B 21 6.896 3.467 8.242 1.00 1.00 H new ATOM 0 HD2 PRO B 21 4.779 4.782 7.193 1.00 1.00 H new ATOM 0 HD3 PRO B 21 6.403 5.080 6.605 1.00 1.00 H new ATOM 901 N SER B 22 3.683 1.480 5.832 1.00 1.00 N ATOM 902 CA SER B 22 2.596 0.508 5.829 1.00 1.00 C ATOM 903 C SER B 22 2.021 0.330 4.422 1.00 1.00 C ATOM 904 O SER B 22 1.556 -0.752 4.060 1.00 1.00 O ATOM 905 CB SER B 22 1.495 0.954 6.790 1.00 1.00 C ATOM 906 OG SER B 22 2.044 1.431 8.011 1.00 1.00 O ATOM 0 H SER B 22 3.492 2.321 6.377 1.00 1.00 H new ATOM 0 HA SER B 22 2.996 -0.451 6.158 1.00 1.00 H new ATOM 0 HB2 SER B 22 0.898 1.739 6.325 1.00 1.00 H new ATOM 0 HB3 SER B 22 0.823 0.119 6.991 1.00 1.00 H new ATOM 0 HG SER B 22 1.319 1.712 8.608 1.00 1.00 H new ATOM 912 N THR B 23 2.057 1.392 3.631 1.00 1.00 N ATOM 913 CA THR B 23 1.542 1.347 2.276 1.00 1.00 C ATOM 914 C THR B 23 2.489 0.571 1.364 1.00 1.00 C ATOM 915 O THR B 23 2.056 -0.156 0.464 1.00 1.00 O ATOM 916 CB THR B 23 1.337 2.771 1.733 1.00 1.00 C ATOM 917 OG1 THR B 23 1.559 3.724 2.782 1.00 1.00 O ATOM 918 CG2 THR B 23 -0.068 2.941 1.188 1.00 1.00 C ATOM 0 H THR B 23 2.439 2.296 3.908 1.00 1.00 H new ATOM 0 HA THR B 23 0.580 0.834 2.294 1.00 1.00 H new ATOM 0 HB THR B 23 2.049 2.938 0.925 1.00 1.00 H new ATOM 0 HG1 THR B 23 1.770 4.597 2.391 1.00 1.00 H new ATOM 0 HG21 THR B 23 -0.191 3.956 0.809 1.00 1.00 H new ATOM 0 HG22 THR B 23 -0.233 2.229 0.379 1.00 1.00 H new ATOM 0 HG23 THR B 23 -0.791 2.761 1.983 1.00 1.00 H new ATOM 926 N LEU B 24 3.783 0.702 1.628 1.00 1.00 N ATOM 927 CA LEU B 24 4.804 0.025 0.840 1.00 1.00 C ATOM 928 C LEU B 24 4.693 -1.494 0.976 1.00 1.00 C ATOM 929 O LEU B 24 5.056 -2.233 0.058 1.00 1.00 O ATOM 930 CB LEU B 24 6.198 0.490 1.274 1.00 1.00 C ATOM 931 CG LEU B 24 7.332 0.145 0.306 1.00 1.00 C ATOM 932 CD1 LEU B 24 7.184 0.929 -0.988 1.00 1.00 C ATOM 933 CD2 LEU B 24 8.682 0.427 0.950 1.00 1.00 C ATOM 0 H LEU B 24 4.151 1.275 2.387 1.00 1.00 H new ATOM 0 HA LEU B 24 4.648 0.283 -0.207 1.00 1.00 H new ATOM 0 HB2 LEU B 24 6.176 1.571 1.412 1.00 1.00 H new ATOM 0 HB3 LEU B 24 6.424 0.049 2.245 1.00 1.00 H new ATOM 0 HG LEU B 24 7.276 -0.918 0.071 1.00 1.00 H new ATOM 0 HD11 LEU B 24 7.999 0.671 -1.665 1.00 1.00 H new ATOM 0 HD12 LEU B 24 6.231 0.682 -1.456 1.00 1.00 H new ATOM 0 HD13 LEU B 24 7.216 1.997 -0.772 1.00 1.00 H new ATOM 0 HD21 LEU B 24 9.479 0.177 0.249 1.00 1.00 H new ATOM 0 HD22 LEU B 24 8.747 1.483 1.211 1.00 1.00 H new ATOM 0 HD23 LEU B 24 8.788 -0.177 1.851 1.00 1.00 H new ATOM 945 N GLU B 25 4.167 -1.947 2.113 1.00 1.00 N ATOM 946 CA GLU B 25 4.007 -3.378 2.378 1.00 1.00 C ATOM 947 C GLU B 25 3.147 -4.049 1.309 1.00 1.00 C ATOM 948 O GLU B 25 3.472 -5.133 0.824 1.00 1.00 O ATOM 949 CB GLU B 25 3.379 -3.595 3.755 1.00 1.00 C ATOM 950 CG GLU B 25 4.068 -2.830 4.870 1.00 1.00 C ATOM 951 CD GLU B 25 3.537 -3.194 6.243 1.00 1.00 C ATOM 952 OE1 GLU B 25 2.306 -3.147 6.447 1.00 1.00 O ATOM 953 OE2 GLU B 25 4.352 -3.531 7.124 1.00 1.00 O ATOM 0 H GLU B 25 3.843 -1.343 2.868 1.00 1.00 H new ATOM 0 HA GLU B 25 4.998 -3.832 2.355 1.00 1.00 H new ATOM 0 HB2 GLU B 25 2.331 -3.298 3.717 1.00 1.00 H new ATOM 0 HB3 GLU B 25 3.400 -4.659 3.990 1.00 1.00 H new ATOM 0 HG2 GLU B 25 5.139 -3.030 4.834 1.00 1.00 H new ATOM 0 HG3 GLU B 25 3.937 -1.760 4.706 1.00 1.00 H new ATOM 960 N ALA B 26 2.052 -3.395 0.940 1.00 1.00 N ATOM 961 CA ALA B 26 1.155 -3.931 -0.075 1.00 1.00 C ATOM 962 C ALA B 26 1.653 -3.567 -1.467 1.00 1.00 C ATOM 963 O ALA B 26 1.377 -4.270 -2.441 1.00 1.00 O ATOM 964 CB ALA B 26 -0.257 -3.432 0.151 1.00 1.00 C ATOM 0 H ALA B 26 1.765 -2.496 1.327 1.00 1.00 H new ATOM 0 HA ALA B 26 1.143 -5.018 0.004 1.00 1.00 H new ATOM 0 HB1 ALA B 26 -0.915 -3.842 -0.616 1.00 1.00 H new ATOM 0 HB2 ALA B 26 -0.603 -3.751 1.134 1.00 1.00 H new ATOM 0 HB3 ALA B 26 -0.271 -2.343 0.097 1.00 1.00 H new ATOM 970 N HIS B 27 2.376 -2.456 -1.559 1.00 1.00 N ATOM 971 CA HIS B 27 2.945 -2.017 -2.832 1.00 1.00 C ATOM 972 C HIS B 27 3.829 -3.114 -3.419 1.00 1.00 C ATOM 973 O HIS B 27 3.700 -3.459 -4.590 1.00 1.00 O ATOM 974 CB HIS B 27 3.768 -0.731 -2.642 1.00 1.00 C ATOM 975 CG HIS B 27 4.461 -0.241 -3.891 1.00 1.00 C ATOM 976 ND1 HIS B 27 5.413 -0.839 -4.655 1.00 1.00 N flip ATOM 977 CD2 HIS B 27 4.221 0.981 -4.483 1.00 1.00 C flip ATOM 978 CE1 HIS B 27 5.747 -0.008 -5.714 1.00 1.00 C flip ATOM 979 NE2 HIS B 27 5.009 1.074 -5.568 1.00 1.00 N flip ATOM 0 H HIS B 27 2.583 -1.843 -0.770 1.00 1.00 H new ATOM 0 HA HIS B 27 2.126 -1.810 -3.521 1.00 1.00 H new ATOM 0 HB2 HIS B 27 3.109 0.056 -2.275 1.00 1.00 H new ATOM 0 HB3 HIS B 27 4.518 -0.905 -1.870 1.00 1.00 H new ATOM 0 HD1 HIS B 27 5.819 -1.758 -4.477 1.00 1.00 H new ATOM 0 HD2 HIS B 27 3.524 1.730 -4.137 1.00 1.00 H new ATOM 0 HE1 HIS B 27 6.464 -0.207 -6.497 1.00 1.00 H new ATOM 987 N GLN B 28 4.703 -3.672 -2.590 1.00 1.00 N ATOM 988 CA GLN B 28 5.630 -4.717 -3.029 1.00 1.00 C ATOM 989 C GLN B 28 4.912 -6.031 -3.354 1.00 1.00 C ATOM 990 O GLN B 28 5.541 -7.004 -3.773 1.00 1.00 O ATOM 991 CB GLN B 28 6.696 -4.951 -1.955 1.00 1.00 C ATOM 992 CG GLN B 28 7.566 -3.732 -1.695 1.00 1.00 C ATOM 993 CD GLN B 28 9.002 -3.921 -2.153 1.00 1.00 C ATOM 994 OE1 GLN B 28 9.253 -3.683 -3.430 1.00 1.00 O flip ATOM 995 NE2 GLN B 28 9.878 -4.290 -1.366 1.00 1.00 N flip ATOM 0 H GLN B 28 4.792 -3.419 -1.606 1.00 1.00 H new ATOM 0 HA GLN B 28 6.102 -4.371 -3.948 1.00 1.00 H new ATOM 0 HB2 GLN B 28 6.207 -5.245 -1.026 1.00 1.00 H new ATOM 0 HB3 GLN B 28 7.331 -5.784 -2.258 1.00 1.00 H new ATOM 0 HG2 GLN B 28 7.137 -2.870 -2.207 1.00 1.00 H new ATOM 0 HG3 GLN B 28 7.557 -3.506 -0.629 1.00 1.00 H new ATOM 0 HE21 GLN B 28 9.645 -4.463 -0.388 1.00 1.00 H new ATOM 0 HE22 GLN B 28 10.835 -4.422 -1.693 1.00 1.00 H new ATOM 1004 N ALA B 29 3.601 -6.061 -3.170 1.00 1.00 N ATOM 1005 CA ALA B 29 2.826 -7.258 -3.445 1.00 1.00 C ATOM 1006 C ALA B 29 1.924 -7.068 -4.664 1.00 1.00 C ATOM 1007 O ALA B 29 1.749 -7.987 -5.469 1.00 1.00 O ATOM 1008 CB ALA B 29 1.997 -7.641 -2.228 1.00 1.00 C ATOM 0 H ALA B 29 3.053 -5.270 -2.832 1.00 1.00 H new ATOM 0 HA ALA B 29 3.523 -8.066 -3.667 1.00 1.00 H new ATOM 0 HB1 ALA B 29 1.421 -8.540 -2.448 1.00 1.00 H new ATOM 0 HB2 ALA B 29 2.658 -7.832 -1.383 1.00 1.00 H new ATOM 0 HB3 ALA B 29 1.317 -6.826 -1.980 1.00 1.00 H new ATOM 1014 N TYR B 30 1.356 -5.877 -4.802 1.00 1.00 N ATOM 1015 CA TYR B 30 0.456 -5.590 -5.914 1.00 1.00 C ATOM 1016 C TYR B 30 1.118 -4.745 -6.997 1.00 1.00 C ATOM 1017 O TYR B 30 1.059 -5.089 -8.176 1.00 1.00 O ATOM 1018 CB TYR B 30 -0.799 -4.880 -5.408 1.00 1.00 C ATOM 1019 CG TYR B 30 -1.684 -5.746 -4.538 1.00 1.00 C ATOM 1020 CD1 TYR B 30 -2.559 -6.665 -5.103 1.00 1.00 C ATOM 1021 CD2 TYR B 30 -1.647 -5.641 -3.154 1.00 1.00 C ATOM 1022 CE1 TYR B 30 -3.373 -7.453 -4.313 1.00 1.00 C ATOM 1023 CE2 TYR B 30 -2.457 -6.426 -2.359 1.00 1.00 C ATOM 1024 CZ TYR B 30 -3.317 -7.329 -2.943 1.00 1.00 C ATOM 1025 OH TYR B 30 -4.125 -8.110 -2.152 1.00 1.00 O ATOM 0 H TYR B 30 1.501 -5.097 -4.161 1.00 1.00 H new ATOM 0 HA TYR B 30 0.188 -6.548 -6.360 1.00 1.00 H new ATOM 0 HB2 TYR B 30 -0.502 -3.997 -4.842 1.00 1.00 H new ATOM 0 HB3 TYR B 30 -1.377 -4.531 -6.264 1.00 1.00 H new ATOM 0 HD1 TYR B 30 -2.604 -6.765 -6.177 1.00 1.00 H new ATOM 0 HD2 TYR B 30 -0.974 -4.934 -2.692 1.00 1.00 H new ATOM 0 HE1 TYR B 30 -4.049 -8.162 -4.767 1.00 1.00 H new ATOM 0 HE2 TYR B 30 -2.417 -6.333 -1.284 1.00 1.00 H new ATOM 0 HH TYR B 30 -4.045 -7.823 -1.218 1.00 1.00 H new ATOM 1035 N TYR B 31 1.742 -3.644 -6.598 1.00 1.00 N ATOM 1036 CA TYR B 31 2.388 -2.744 -7.549 1.00 1.00 C ATOM 1037 C TYR B 31 3.695 -3.330 -8.080 1.00 1.00 C ATOM 1038 O TYR B 31 3.911 -3.365 -9.291 1.00 1.00 O ATOM 1039 CB TYR B 31 2.634 -1.372 -6.913 1.00 1.00 C ATOM 1040 CG TYR B 31 1.768 -0.273 -7.482 1.00 1.00 C ATOM 1041 CD1 TYR B 31 1.388 -0.285 -8.816 1.00 1.00 C ATOM 1042 CD2 TYR B 31 1.332 0.779 -6.685 1.00 1.00 C ATOM 1043 CE1 TYR B 31 0.599 0.717 -9.343 1.00 1.00 C ATOM 1044 CE2 TYR B 31 0.541 1.786 -7.204 1.00 1.00 C ATOM 1045 CZ TYR B 31 0.177 1.750 -8.535 1.00 1.00 C ATOM 1046 OH TYR B 31 -0.611 2.747 -9.060 1.00 1.00 O ATOM 0 H TYR B 31 1.815 -3.352 -5.624 1.00 1.00 H new ATOM 0 HA TYR B 31 1.712 -2.621 -8.396 1.00 1.00 H new ATOM 0 HB2 TYR B 31 2.457 -1.442 -5.840 1.00 1.00 H new ATOM 0 HB3 TYR B 31 3.682 -1.102 -7.047 1.00 1.00 H new ATOM 0 HD1 TYR B 31 1.715 -1.093 -9.454 1.00 1.00 H new ATOM 0 HD2 TYR B 31 1.616 0.810 -5.643 1.00 1.00 H new ATOM 0 HE1 TYR B 31 0.314 0.692 -10.384 1.00 1.00 H new ATOM 0 HE2 TYR B 31 0.209 2.597 -6.572 1.00 1.00 H new ATOM 0 HH TYR B 31 -0.889 3.355 -8.344 1.00 1.00 H new ATOM 1056 N CYS B 32 4.567 -3.771 -7.175 1.00 1.00 N ATOM 1057 CA CYS B 32 5.834 -4.368 -7.570 1.00 1.00 C ATOM 1058 C CYS B 32 5.581 -5.705 -8.263 1.00 1.00 C ATOM 1059 O CYS B 32 5.347 -6.722 -7.603 1.00 1.00 O ATOM 1060 CB CYS B 32 6.748 -4.566 -6.354 1.00 1.00 C ATOM 1061 SG CYS B 32 7.499 -3.030 -5.715 1.00 1.00 S ATOM 0 H CYS B 32 4.417 -3.725 -6.167 1.00 1.00 H new ATOM 0 HA CYS B 32 6.335 -3.692 -8.264 1.00 1.00 H new ATOM 0 HB2 CYS B 32 6.173 -5.034 -5.555 1.00 1.00 H new ATOM 0 HB3 CYS B 32 7.544 -5.260 -6.623 1.00 1.00 H new ATOM 0 HG CYS B 32 8.441 -3.327 -4.869 1.00 1.00 H new ATOM 1066 N SER B 33 5.626 -5.684 -9.591 1.00 1.00 N ATOM 1067 CA SER B 33 5.381 -6.868 -10.404 1.00 1.00 C ATOM 1068 C SER B 33 3.976 -7.413 -10.137 1.00 1.00 C ATOM 1069 O SER B 33 2.990 -6.830 -10.587 1.00 1.00 O ATOM 1070 CB SER B 33 6.448 -7.934 -10.137 1.00 1.00 C ATOM 1071 OG SER B 33 7.751 -7.377 -10.200 1.00 1.00 O ATOM 0 H SER B 33 5.833 -4.845 -10.133 1.00 1.00 H new ATOM 0 HA SER B 33 5.443 -6.590 -11.456 1.00 1.00 H new ATOM 0 HB2 SER B 33 6.286 -8.378 -9.155 1.00 1.00 H new ATOM 0 HB3 SER B 33 6.356 -8.737 -10.869 1.00 1.00 H new ATOM 0 HG SER B 33 8.415 -8.076 -10.025 1.00 1.00 H new ATOM 1077 N HIS B 34 3.892 -8.512 -9.389 1.00 1.00 N ATOM 1078 CA HIS B 34 2.617 -9.135 -9.041 1.00 1.00 C ATOM 1079 C HIS B 34 2.862 -10.366 -8.182 1.00 1.00 C ATOM 1080 O HIS B 34 3.123 -11.451 -8.696 1.00 1.00 O ATOM 1081 CB HIS B 34 1.819 -9.527 -10.293 1.00 1.00 C ATOM 1082 CG HIS B 34 0.566 -8.725 -10.472 1.00 1.00 C ATOM 1083 ND1 HIS B 34 0.100 -8.314 -11.699 1.00 1.00 N ATOM 1084 CD2 HIS B 34 -0.317 -8.253 -9.561 1.00 1.00 C ATOM 1085 CE1 HIS B 34 -1.011 -7.621 -11.538 1.00 1.00 C ATOM 1086 NE2 HIS B 34 -1.289 -7.568 -10.248 1.00 1.00 N ATOM 0 H HIS B 34 4.705 -8.995 -9.008 1.00 1.00 H new ATOM 0 HA HIS B 34 2.030 -8.406 -8.483 1.00 1.00 H new ATOM 0 HB2 HIS B 34 2.451 -9.402 -11.172 1.00 1.00 H new ATOM 0 HB3 HIS B 34 1.560 -10.584 -10.234 1.00 1.00 H new ATOM 0 HD2 HIS B 34 -0.266 -8.390 -8.491 1.00 1.00 H new ATOM 0 HE1 HIS B 34 -1.595 -7.173 -12.328 1.00 1.00 H new ATOM 0 HE2 HIS B 34 -2.092 -7.097 -9.831 1.00 1.00 H new