USER MOD reduce.3.24.130724 H: found=0, std=0, add=539, rem=0, adj=26 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 -171:sc= -3.57! USER MOD Set 1.2: B 14 CYS SG : rot 180:sc= -1.17! USER MOD Set 1.3: B 27 HIS :FLIP no HE2:sc= -6.71! C(o=-14!,f=-11!) USER MOD Set 1.4: B 32 CYS SG : rot -81:sc= 0.574 USER MOD Set 2.1: A 220 THR OG1 : rot -142:sc= 0.148 USER MOD Set 2.2: A 222 HIS : no HD1:sc= -1.06 K(o=-2.4,f=-7.3!) USER MOD Set 2.3: A 232 HIS : no HE2:sc= -1.93! C(o=-2.4!,f=-13!) USER MOD Set 2.4: A 238 ASN :FLIP amide:sc= 0.435 F(o=-3.1,f=-2.4) USER MOD Set 3.1: A 231 TYR OH : rot -138:sc= 2.28 USER MOD Set 3.2: A 237 GLN : amide:sc= 1.13 K(o=3.4,f=2) USER MOD Set 4.1: A 204 CYS SG : rot 152:sc= 2.66! USER MOD Set 4.2: A 207 CYS SG : rot -15:sc= 2.45 USER MOD Set 4.3: A 225 CYS SG : rot -137:sc= 3.61 USER MOD Set 4.4: A 228 CYS SG : rot 80:sc= 0.457 USER MOD Single : A 206 ASN :FLIP amide:sc= -0.854 F(o=-3.2!,f=-0.85) USER MOD Single : A 210 THR OG1 : rot -160:sc= 2.11 USER MOD Single : A 212 THR OG1 : rot -117:sc= -0.88 USER MOD Single : A 223 TYR OH : rot 180:sc= 0.952 USER MOD Single : A 226 ASN : amide:sc= 0.914 K(o=0.91,f=-0.0015) USER MOD Single : A 233 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 234 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 235 ASN : amide:sc= 0.67 K(o=0.67,f=0) USER MOD Single : B 1 GLY N :NH3+ -135:sc= 0.0143 (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 -173:sc= 0 (180deg=-0.109) USER MOD Single : B 19 SER OG : rot 27:sc= 1.74 USER MOD Single : B 20 SER OG : rot 120:sc= 1.67 USER MOD Single : B 22 SER OG : rot 180:sc= 0.106 USER MOD Single : B 23 THR OG1 : rot 12:sc= -1.16 USER MOD Single : B 28 GLN : amide:sc= 0.00124 X(o=0.0012,f=0) USER MOD Single : B 30 TYR OH : rot 177:sc= 1.25 USER MOD Single : B 31 TYR OH : rot -178:sc= 1.22 USER MOD Single : B 33 SER OG : rot 180:sc= 0 USER MOD Single : B 34 HIS : no HD1:sc= -0.314 X(o=-0.31,f=-0.13) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 200 -2.516 -13.494 2.183 1.00 1.00 N ATOM 2 CA GLU A 200 -3.036 -14.630 1.391 1.00 1.00 C ATOM 3 C GLU A 200 -3.340 -14.199 -0.040 1.00 1.00 C ATOM 4 O GLU A 200 -2.800 -14.759 -0.995 1.00 1.00 O ATOM 5 CB GLU A 200 -4.297 -15.205 2.043 1.00 1.00 C ATOM 6 CG GLU A 200 -4.012 -16.051 3.276 1.00 1.00 C ATOM 7 CD GLU A 200 -3.865 -15.228 4.537 1.00 1.00 C ATOM 8 OE1 GLU A 200 -2.975 -14.358 4.584 1.00 1.00 O ATOM 9 OE2 GLU A 200 -4.636 -15.450 5.489 1.00 1.00 O ATOM 0 HA GLU A 200 -2.268 -15.403 1.365 1.00 1.00 H new ATOM 0 HB2 GLU A 200 -4.959 -14.385 2.320 1.00 1.00 H new ATOM 0 HB3 GLU A 200 -4.830 -15.812 1.311 1.00 1.00 H new ATOM 0 HG2 GLU A 200 -4.820 -16.771 3.411 1.00 1.00 H new ATOM 0 HG3 GLU A 200 -3.099 -16.623 3.114 1.00 1.00 H new ATOM 16 N ALA A 201 -4.197 -13.198 -0.182 1.00 1.00 N ATOM 17 CA ALA A 201 -4.573 -12.702 -1.495 1.00 1.00 C ATOM 18 C ALA A 201 -3.654 -11.567 -1.927 1.00 1.00 C ATOM 19 O ALA A 201 -2.951 -11.675 -2.930 1.00 1.00 O ATOM 20 CB ALA A 201 -6.023 -12.243 -1.489 1.00 1.00 C ATOM 0 H ALA A 201 -4.644 -12.714 0.597 1.00 1.00 H new ATOM 0 HA ALA A 201 -4.468 -13.515 -2.214 1.00 1.00 H new ATOM 0 HB1 ALA A 201 -6.292 -11.874 -2.479 1.00 1.00 H new ATOM 0 HB2 ALA A 201 -6.669 -13.081 -1.227 1.00 1.00 H new ATOM 0 HB3 ALA A 201 -6.149 -11.445 -0.757 1.00 1.00 H new ATOM 26 N ARG A 202 -3.649 -10.489 -1.154 1.00 1.00 N ATOM 27 CA ARG A 202 -2.821 -9.328 -1.455 1.00 1.00 C ATOM 28 C ARG A 202 -2.562 -8.537 -0.178 1.00 1.00 C ATOM 29 O ARG A 202 -2.792 -9.045 0.921 1.00 1.00 O ATOM 30 CB ARG A 202 -3.502 -8.448 -2.513 1.00 1.00 C ATOM 31 CG ARG A 202 -2.528 -7.767 -3.471 1.00 1.00 C ATOM 32 CD ARG A 202 -1.964 -8.741 -4.498 1.00 1.00 C ATOM 33 NE ARG A 202 -1.159 -9.798 -3.879 1.00 1.00 N ATOM 34 CZ ARG A 202 0.151 -9.702 -3.650 1.00 1.00 C ATOM 35 NH1 ARG A 202 0.821 -8.630 -4.039 1.00 1.00 N ATOM 36 NH2 ARG A 202 0.800 -10.685 -3.040 1.00 1.00 N ATOM 0 H ARG A 202 -4.212 -10.394 -0.309 1.00 1.00 H new ATOM 0 HA ARG A 202 -1.865 -9.663 -1.858 1.00 1.00 H new ATOM 0 HB2 ARG A 202 -4.195 -9.061 -3.090 1.00 1.00 H new ATOM 0 HB3 ARG A 202 -4.095 -7.684 -2.009 1.00 1.00 H new ATOM 0 HG2 ARG A 202 -3.036 -6.951 -3.985 1.00 1.00 H new ATOM 0 HG3 ARG A 202 -1.710 -7.325 -2.903 1.00 1.00 H new ATOM 0 HD2 ARG A 202 -2.784 -9.192 -5.056 1.00 1.00 H new ATOM 0 HD3 ARG A 202 -1.352 -8.195 -5.216 1.00 1.00 H new ATOM 0 HE ARG A 202 -1.630 -10.661 -3.606 1.00 1.00 H new ATOM 0 HH11 ARG A 202 0.336 -7.871 -4.517 1.00 1.00 H new ATOM 0 HH12 ARG A 202 1.823 -8.562 -3.861 1.00 1.00 H new ATOM 0 HH21 ARG A 202 0.297 -11.521 -2.743 1.00 1.00 H new ATOM 0 HH22 ARG A 202 1.802 -10.605 -2.868 1.00 1.00 H new ATOM 50 N GLU A 203 -2.090 -7.306 -0.318 1.00 1.00 N ATOM 51 CA GLU A 203 -1.799 -6.460 0.829 1.00 1.00 C ATOM 52 C GLU A 203 -2.438 -5.087 0.655 1.00 1.00 C ATOM 53 O GLU A 203 -3.096 -4.825 -0.354 1.00 1.00 O ATOM 54 CB GLU A 203 -0.283 -6.301 1.015 1.00 1.00 C ATOM 55 CG GLU A 203 0.562 -7.225 0.141 1.00 1.00 C ATOM 56 CD GLU A 203 0.850 -6.642 -1.233 1.00 1.00 C ATOM 57 OE1 GLU A 203 -0.087 -6.142 -1.887 1.00 1.00 O ATOM 58 OE2 GLU A 203 2.019 -6.685 -1.671 1.00 1.00 O ATOM 0 H GLU A 203 -1.900 -6.870 -1.220 1.00 1.00 H new ATOM 0 HA GLU A 203 -2.216 -6.939 1.715 1.00 1.00 H new ATOM 0 HB2 GLU A 203 -0.010 -5.268 0.800 1.00 1.00 H new ATOM 0 HB3 GLU A 203 -0.037 -6.485 2.061 1.00 1.00 H new ATOM 0 HG2 GLU A 203 1.505 -7.433 0.647 1.00 1.00 H new ATOM 0 HG3 GLU A 203 0.046 -8.178 0.025 1.00 1.00 H new ATOM 65 N CYS A 204 -2.232 -4.223 1.644 1.00 1.00 N ATOM 66 CA CYS A 204 -2.765 -2.869 1.623 1.00 1.00 C ATOM 67 C CYS A 204 -1.619 -1.879 1.805 1.00 1.00 C ATOM 68 O CYS A 204 -0.478 -2.279 2.022 1.00 1.00 O ATOM 69 CB CYS A 204 -3.814 -2.687 2.731 1.00 1.00 C ATOM 70 SG CYS A 204 -4.595 -1.039 2.789 1.00 1.00 S ATOM 0 H CYS A 204 -1.691 -4.443 2.481 1.00 1.00 H new ATOM 0 HA CYS A 204 -3.252 -2.686 0.665 1.00 1.00 H new ATOM 0 HB2 CYS A 204 -4.593 -3.438 2.600 1.00 1.00 H new ATOM 0 HB3 CYS A 204 -3.342 -2.883 3.694 1.00 1.00 H new ATOM 0 HG CYS A 204 -5.792 -1.143 3.286 1.00 1.00 H new ATOM 75 N VAL A 205 -1.922 -0.596 1.731 1.00 1.00 N ATOM 76 CA VAL A 205 -0.901 0.434 1.882 1.00 1.00 C ATOM 77 C VAL A 205 -0.921 1.023 3.284 1.00 1.00 C ATOM 78 O VAL A 205 0.009 1.718 3.692 1.00 1.00 O ATOM 79 CB VAL A 205 -1.088 1.596 0.881 1.00 1.00 C ATOM 80 CG1 VAL A 205 -1.416 1.091 -0.510 1.00 1.00 C ATOM 81 CG2 VAL A 205 -2.160 2.569 1.358 1.00 1.00 C ATOM 0 H VAL A 205 -2.863 -0.239 1.568 1.00 1.00 H new ATOM 0 HA VAL A 205 0.051 -0.060 1.688 1.00 1.00 H new ATOM 0 HB VAL A 205 -0.138 2.128 0.830 1.00 1.00 H new ATOM 0 HG11 VAL A 205 -1.540 1.938 -1.185 1.00 1.00 H new ATOM 0 HG12 VAL A 205 -0.604 0.458 -0.868 1.00 1.00 H new ATOM 0 HG13 VAL A 205 -2.340 0.514 -0.479 1.00 1.00 H new ATOM 0 HG21 VAL A 205 -2.268 3.375 0.633 1.00 1.00 H new ATOM 0 HG22 VAL A 205 -3.109 2.043 1.460 1.00 1.00 H new ATOM 0 HG23 VAL A 205 -1.870 2.985 2.323 1.00 1.00 H new ATOM 91 N ASN A 206 -1.993 0.764 4.010 1.00 1.00 N ATOM 92 CA ASN A 206 -2.140 1.313 5.348 1.00 1.00 C ATOM 93 C ASN A 206 -2.187 0.230 6.411 1.00 1.00 C ATOM 94 O ASN A 206 -1.958 0.506 7.592 1.00 1.00 O ATOM 95 CB ASN A 206 -3.406 2.165 5.423 1.00 1.00 C ATOM 96 CG ASN A 206 -3.142 3.646 5.214 1.00 1.00 C ATOM 97 OD1 ASN A 206 -2.182 3.983 4.359 1.00 1.00 O flip ATOM 98 ND2 ASN A 206 -3.806 4.489 5.814 1.00 1.00 N flip ATOM 0 H ASN A 206 -2.771 0.181 3.700 1.00 1.00 H new ATOM 0 HA ASN A 206 -1.263 1.930 5.546 1.00 1.00 H new ATOM 0 HB2 ASN A 206 -4.115 1.819 4.671 1.00 1.00 H new ATOM 0 HB3 ASN A 206 -3.877 2.020 6.395 1.00 1.00 H new ATOM 0 HD21 ASN A 206 -4.536 4.196 6.464 1.00 1.00 H new ATOM 0 HD22 ASN A 206 -3.627 5.482 5.662 1.00 1.00 H new ATOM 105 N CYS A 207 -2.477 -0.995 6.007 1.00 1.00 N ATOM 106 CA CYS A 207 -2.553 -2.087 6.958 1.00 1.00 C ATOM 107 C CYS A 207 -2.016 -3.382 6.366 1.00 1.00 C ATOM 108 O CYS A 207 -0.908 -3.819 6.686 1.00 1.00 O ATOM 109 CB CYS A 207 -4.002 -2.269 7.414 1.00 1.00 C ATOM 110 SG CYS A 207 -5.221 -2.195 6.062 1.00 1.00 S ATOM 0 H CYS A 207 -2.662 -1.255 5.038 1.00 1.00 H new ATOM 0 HA CYS A 207 -1.930 -1.838 7.817 1.00 1.00 H new ATOM 0 HB2 CYS A 207 -4.095 -3.230 7.920 1.00 1.00 H new ATOM 0 HB3 CYS A 207 -4.241 -1.498 8.147 1.00 1.00 H new ATOM 0 HG CYS A 207 -4.667 -1.678 5.006 1.00 1.00 H new ATOM 115 N GLY A 208 -2.806 -3.973 5.495 1.00 1.00 N ATOM 116 CA GLY A 208 -2.438 -5.223 4.872 1.00 1.00 C ATOM 117 C GLY A 208 -3.446 -6.301 5.192 1.00 1.00 C ATOM 118 O GLY A 208 -3.098 -7.474 5.333 1.00 1.00 O ATOM 0 H GLY A 208 -3.711 -3.604 5.202 1.00 1.00 H new ATOM 0 HA2 GLY A 208 -2.372 -5.090 3.792 1.00 1.00 H new ATOM 0 HA3 GLY A 208 -1.450 -5.529 5.217 1.00 1.00 H new ATOM 122 N ALA A 209 -4.703 -5.890 5.319 1.00 1.00 N ATOM 123 CA ALA A 209 -5.783 -6.809 5.633 1.00 1.00 C ATOM 124 C ALA A 209 -6.129 -7.684 4.435 1.00 1.00 C ATOM 125 O ALA A 209 -7.004 -7.358 3.637 1.00 1.00 O ATOM 126 CB ALA A 209 -7.006 -6.044 6.116 1.00 1.00 C ATOM 0 H ALA A 209 -4.997 -4.920 5.208 1.00 1.00 H new ATOM 0 HA ALA A 209 -5.446 -7.466 6.435 1.00 1.00 H new ATOM 0 HB1 ALA A 209 -7.807 -6.747 6.347 1.00 1.00 H new ATOM 0 HB2 ALA A 209 -6.751 -5.477 7.011 1.00 1.00 H new ATOM 0 HB3 ALA A 209 -7.338 -5.359 5.336 1.00 1.00 H new ATOM 132 N THR A 210 -5.433 -8.805 4.324 1.00 1.00 N ATOM 133 CA THR A 210 -5.649 -9.737 3.234 1.00 1.00 C ATOM 134 C THR A 210 -6.878 -10.608 3.492 1.00 1.00 C ATOM 135 O THR A 210 -7.310 -11.357 2.618 1.00 1.00 O ATOM 136 CB THR A 210 -4.406 -10.631 3.007 1.00 1.00 C ATOM 137 OG1 THR A 210 -4.717 -11.708 2.110 1.00 1.00 O ATOM 138 CG2 THR A 210 -3.895 -11.197 4.321 1.00 1.00 C ATOM 0 H THR A 210 -4.708 -9.091 4.983 1.00 1.00 H new ATOM 0 HA THR A 210 -5.821 -9.149 2.333 1.00 1.00 H new ATOM 0 HB THR A 210 -3.627 -10.009 2.566 1.00 1.00 H new ATOM 0 HG1 THR A 210 -4.060 -12.426 2.221 1.00 1.00 H new ATOM 0 HG21 THR A 210 -3.021 -11.821 4.133 1.00 1.00 H new ATOM 0 HG22 THR A 210 -3.620 -10.379 4.987 1.00 1.00 H new ATOM 0 HG23 THR A 210 -4.676 -11.797 4.787 1.00 1.00 H new ATOM 146 N ALA A 211 -7.438 -10.504 4.691 1.00 1.00 N ATOM 147 CA ALA A 211 -8.618 -11.278 5.051 1.00 1.00 C ATOM 148 C ALA A 211 -9.888 -10.459 4.839 1.00 1.00 C ATOM 149 O ALA A 211 -10.927 -10.725 5.446 1.00 1.00 O ATOM 150 CB ALA A 211 -8.520 -11.751 6.493 1.00 1.00 C ATOM 0 H ALA A 211 -7.094 -9.891 5.430 1.00 1.00 H new ATOM 0 HA ALA A 211 -8.667 -12.152 4.402 1.00 1.00 H new ATOM 0 HB1 ALA A 211 -9.409 -12.328 6.748 1.00 1.00 H new ATOM 0 HB2 ALA A 211 -7.635 -12.376 6.611 1.00 1.00 H new ATOM 0 HB3 ALA A 211 -8.446 -10.888 7.155 1.00 1.00 H new ATOM 156 N THR A 212 -9.789 -9.456 3.979 1.00 1.00 N ATOM 157 CA THR A 212 -10.916 -8.595 3.668 1.00 1.00 C ATOM 158 C THR A 212 -11.943 -9.349 2.821 1.00 1.00 C ATOM 159 O THR A 212 -11.577 -10.115 1.927 1.00 1.00 O ATOM 160 CB THR A 212 -10.451 -7.317 2.925 1.00 1.00 C ATOM 161 OG1 THR A 212 -11.575 -6.534 2.506 1.00 1.00 O ATOM 162 CG2 THR A 212 -9.602 -7.666 1.714 1.00 1.00 C ATOM 0 H THR A 212 -8.931 -9.219 3.481 1.00 1.00 H new ATOM 0 HA THR A 212 -11.381 -8.295 4.607 1.00 1.00 H new ATOM 0 HB THR A 212 -9.849 -6.736 3.623 1.00 1.00 H new ATOM 0 HG1 THR A 212 -11.593 -6.486 1.527 1.00 1.00 H new ATOM 0 HG21 THR A 212 -9.290 -6.750 1.212 1.00 1.00 H new ATOM 0 HG22 THR A 212 -8.721 -8.222 2.035 1.00 1.00 H new ATOM 0 HG23 THR A 212 -10.185 -8.277 1.025 1.00 1.00 H new ATOM 170 N PRO A 213 -13.243 -9.156 3.102 1.00 1.00 N ATOM 171 CA PRO A 213 -14.324 -9.818 2.360 1.00 1.00 C ATOM 172 C PRO A 213 -14.350 -9.424 0.883 1.00 1.00 C ATOM 173 O PRO A 213 -14.896 -10.148 0.048 1.00 1.00 O ATOM 174 CB PRO A 213 -15.598 -9.335 3.063 1.00 1.00 C ATOM 175 CG PRO A 213 -15.196 -8.092 3.780 1.00 1.00 C ATOM 176 CD PRO A 213 -13.761 -8.292 4.173 1.00 1.00 C ATOM 0 HA PRO A 213 -14.205 -10.902 2.363 1.00 1.00 H new ATOM 0 HB2 PRO A 213 -16.394 -9.137 2.345 1.00 1.00 H new ATOM 0 HB3 PRO A 213 -15.975 -10.086 3.757 1.00 1.00 H new ATOM 0 HG2 PRO A 213 -15.308 -7.217 3.139 1.00 1.00 H new ATOM 0 HG3 PRO A 213 -15.822 -7.927 4.657 1.00 1.00 H new ATOM 0 HD2 PRO A 213 -13.221 -7.346 4.226 1.00 1.00 H new ATOM 0 HD3 PRO A 213 -13.672 -8.764 5.151 1.00 1.00 H new ATOM 184 N LEU A 214 -13.761 -8.275 0.566 1.00 1.00 N ATOM 185 CA LEU A 214 -13.718 -7.790 -0.805 1.00 1.00 C ATOM 186 C LEU A 214 -12.714 -6.652 -0.941 1.00 1.00 C ATOM 187 O LEU A 214 -12.841 -5.618 -0.279 1.00 1.00 O ATOM 188 CB LEU A 214 -15.105 -7.318 -1.251 1.00 1.00 C ATOM 189 CG LEU A 214 -15.238 -7.015 -2.745 1.00 1.00 C ATOM 190 CD1 LEU A 214 -15.047 -8.281 -3.568 1.00 1.00 C ATOM 191 CD2 LEU A 214 -16.592 -6.390 -3.037 1.00 1.00 C ATOM 0 H LEU A 214 -13.306 -7.663 1.243 1.00 1.00 H new ATOM 0 HA LEU A 214 -13.403 -8.613 -1.446 1.00 1.00 H new ATOM 0 HB2 LEU A 214 -15.835 -8.082 -0.985 1.00 1.00 H new ATOM 0 HB3 LEU A 214 -15.364 -6.420 -0.690 1.00 1.00 H new ATOM 0 HG LEU A 214 -14.459 -6.305 -3.024 1.00 1.00 H new ATOM 0 HD11 LEU A 214 -15.145 -8.045 -4.627 1.00 1.00 H new ATOM 0 HD12 LEU A 214 -14.055 -8.692 -3.378 1.00 1.00 H new ATOM 0 HD13 LEU A 214 -15.803 -9.014 -3.288 1.00 1.00 H new ATOM 0 HD21 LEU A 214 -16.673 -6.180 -4.103 1.00 1.00 H new ATOM 0 HD22 LEU A 214 -17.382 -7.080 -2.742 1.00 1.00 H new ATOM 0 HD23 LEU A 214 -16.693 -5.461 -2.475 1.00 1.00 H new ATOM 203 N TRP A 215 -11.718 -6.855 -1.797 1.00 1.00 N ATOM 204 CA TRP A 215 -10.686 -5.852 -2.036 1.00 1.00 C ATOM 205 C TRP A 215 -11.279 -4.632 -2.720 1.00 1.00 C ATOM 206 O TRP A 215 -11.979 -4.752 -3.724 1.00 1.00 O ATOM 207 CB TRP A 215 -9.564 -6.439 -2.897 1.00 1.00 C ATOM 208 CG TRP A 215 -8.757 -7.474 -2.181 1.00 1.00 C ATOM 209 CD1 TRP A 215 -8.886 -8.829 -2.275 1.00 1.00 C ATOM 210 CD2 TRP A 215 -7.698 -7.234 -1.253 1.00 1.00 C ATOM 211 NE1 TRP A 215 -7.972 -9.446 -1.458 1.00 1.00 N ATOM 212 CE2 TRP A 215 -7.229 -8.487 -0.820 1.00 1.00 C ATOM 213 CE3 TRP A 215 -7.101 -6.080 -0.747 1.00 1.00 C ATOM 214 CZ2 TRP A 215 -6.193 -8.614 0.099 1.00 1.00 C ATOM 215 CZ3 TRP A 215 -6.073 -6.206 0.164 1.00 1.00 C ATOM 216 CH2 TRP A 215 -5.627 -7.465 0.578 1.00 1.00 C ATOM 0 H TRP A 215 -11.603 -7.711 -2.340 1.00 1.00 H new ATOM 0 HA TRP A 215 -10.272 -5.549 -1.074 1.00 1.00 H new ATOM 0 HB2 TRP A 215 -9.996 -6.881 -3.795 1.00 1.00 H new ATOM 0 HB3 TRP A 215 -8.905 -5.634 -3.223 1.00 1.00 H new ATOM 0 HD1 TRP A 215 -9.602 -9.341 -2.901 1.00 1.00 H new ATOM 0 HE1 TRP A 215 -7.863 -10.454 -1.344 1.00 1.00 H new ATOM 0 HE3 TRP A 215 -7.438 -5.104 -1.063 1.00 1.00 H new ATOM 0 HZ2 TRP A 215 -5.848 -9.585 0.423 1.00 1.00 H new ATOM 0 HZ3 TRP A 215 -5.605 -5.318 0.564 1.00 1.00 H new ATOM 0 HH2 TRP A 215 -4.819 -7.531 1.291 1.00 1.00 H new ATOM 227 N ARG A 216 -11.001 -3.461 -2.180 1.00 1.00 N ATOM 228 CA ARG A 216 -11.529 -2.236 -2.748 1.00 1.00 C ATOM 229 C ARG A 216 -10.484 -1.530 -3.600 1.00 1.00 C ATOM 230 O ARG A 216 -9.609 -0.833 -3.088 1.00 1.00 O ATOM 231 CB ARG A 216 -12.038 -1.306 -1.646 1.00 1.00 C ATOM 232 CG ARG A 216 -12.868 -0.137 -2.166 1.00 1.00 C ATOM 233 CD ARG A 216 -14.026 -0.600 -3.036 1.00 1.00 C ATOM 234 NE ARG A 216 -13.690 -0.589 -4.461 1.00 1.00 N ATOM 235 CZ ARG A 216 -13.898 -1.614 -5.289 1.00 1.00 C ATOM 236 NH1 ARG A 216 -14.386 -2.761 -4.828 1.00 1.00 N ATOM 237 NH2 ARG A 216 -13.590 -1.494 -6.575 1.00 1.00 N ATOM 0 H ARG A 216 -10.416 -3.332 -1.354 1.00 1.00 H new ATOM 0 HA ARG A 216 -12.367 -2.501 -3.393 1.00 1.00 H new ATOM 0 HB2 ARG A 216 -12.640 -1.884 -0.944 1.00 1.00 H new ATOM 0 HB3 ARG A 216 -11.186 -0.916 -1.089 1.00 1.00 H new ATOM 0 HG2 ARG A 216 -13.255 0.436 -1.323 1.00 1.00 H new ATOM 0 HG3 ARG A 216 -12.229 0.534 -2.741 1.00 1.00 H new ATOM 0 HD2 ARG A 216 -14.318 -1.608 -2.742 1.00 1.00 H new ATOM 0 HD3 ARG A 216 -14.888 0.045 -2.863 1.00 1.00 H new ATOM 0 HE ARG A 216 -13.270 0.257 -4.845 1.00 1.00 H new ATOM 0 HH11 ARG A 216 -14.604 -2.861 -3.836 1.00 1.00 H new ATOM 0 HH12 ARG A 216 -14.543 -3.541 -5.466 1.00 1.00 H new ATOM 0 HH21 ARG A 216 -13.196 -0.621 -6.926 1.00 1.00 H new ATOM 0 HH22 ARG A 216 -13.747 -2.275 -7.212 1.00 1.00 H new ATOM 251 N ARG A 217 -10.581 -1.732 -4.903 1.00 1.00 N ATOM 252 CA ARG A 217 -9.665 -1.112 -5.847 1.00 1.00 C ATOM 253 C ARG A 217 -10.224 0.228 -6.311 1.00 1.00 C ATOM 254 O ARG A 217 -11.442 0.423 -6.347 1.00 1.00 O ATOM 255 CB ARG A 217 -9.444 -2.020 -7.060 1.00 1.00 C ATOM 256 CG ARG A 217 -8.850 -3.378 -6.723 1.00 1.00 C ATOM 257 CD ARG A 217 -8.697 -4.231 -7.973 1.00 1.00 C ATOM 258 NE ARG A 217 -8.210 -5.578 -7.673 1.00 1.00 N ATOM 259 CZ ARG A 217 -8.829 -6.696 -8.051 1.00 1.00 C ATOM 260 NH1 ARG A 217 -9.983 -6.632 -8.707 1.00 1.00 N ATOM 261 NH2 ARG A 217 -8.292 -7.876 -7.769 1.00 1.00 N ATOM 0 H ARG A 217 -11.290 -2.325 -5.334 1.00 1.00 H new ATOM 0 HA ARG A 217 -8.710 -0.955 -5.346 1.00 1.00 H new ATOM 0 HB2 ARG A 217 -10.398 -2.169 -7.567 1.00 1.00 H new ATOM 0 HB3 ARG A 217 -8.785 -1.512 -7.764 1.00 1.00 H new ATOM 0 HG2 ARG A 217 -7.878 -3.246 -6.247 1.00 1.00 H new ATOM 0 HG3 ARG A 217 -9.490 -3.891 -6.005 1.00 1.00 H new ATOM 0 HD2 ARG A 217 -9.658 -4.300 -8.482 1.00 1.00 H new ATOM 0 HD3 ARG A 217 -8.006 -3.743 -8.661 1.00 1.00 H new ATOM 0 HE ARG A 217 -7.344 -5.667 -7.142 1.00 1.00 H new ATOM 0 HH11 ARG A 217 -10.397 -5.725 -8.923 1.00 1.00 H new ATOM 0 HH12 ARG A 217 -10.454 -7.490 -8.995 1.00 1.00 H new ATOM 0 HH21 ARG A 217 -7.407 -7.926 -7.264 1.00 1.00 H new ATOM 0 HH22 ARG A 217 -8.764 -8.733 -8.057 1.00 1.00 H new ATOM 275 N ASP A 218 -9.337 1.146 -6.658 1.00 1.00 N ATOM 276 CA ASP A 218 -9.742 2.462 -7.127 1.00 1.00 C ATOM 277 C ASP A 218 -9.308 2.656 -8.582 1.00 1.00 C ATOM 278 O ASP A 218 -8.787 1.729 -9.202 1.00 1.00 O ATOM 279 CB ASP A 218 -9.147 3.547 -6.226 1.00 1.00 C ATOM 280 CG ASP A 218 -7.820 4.059 -6.735 1.00 1.00 C ATOM 281 OD1 ASP A 218 -6.841 3.292 -6.744 1.00 1.00 O ATOM 282 OD2 ASP A 218 -7.758 5.230 -7.155 1.00 1.00 O ATOM 0 H ASP A 218 -8.328 1.004 -6.624 1.00 1.00 H new ATOM 0 HA ASP A 218 -10.828 2.541 -7.082 1.00 1.00 H new ATOM 0 HB2 ASP A 218 -9.849 4.378 -6.151 1.00 1.00 H new ATOM 0 HB3 ASP A 218 -9.017 3.148 -5.220 1.00 1.00 H new ATOM 287 N ARG A 219 -9.500 3.857 -9.120 1.00 1.00 N ATOM 288 CA ARG A 219 -9.149 4.136 -10.509 1.00 1.00 C ATOM 289 C ARG A 219 -7.637 4.316 -10.704 1.00 1.00 C ATOM 290 O ARG A 219 -7.121 4.054 -11.791 1.00 1.00 O ATOM 291 CB ARG A 219 -9.901 5.374 -11.014 1.00 1.00 C ATOM 292 CG ARG A 219 -9.777 5.588 -12.517 1.00 1.00 C ATOM 293 CD ARG A 219 -10.251 4.371 -13.301 1.00 1.00 C ATOM 294 NE ARG A 219 -9.666 4.321 -14.640 1.00 1.00 N ATOM 295 CZ ARG A 219 -9.737 3.265 -15.458 1.00 1.00 C ATOM 296 NH1 ARG A 219 -10.430 2.187 -15.111 1.00 1.00 N ATOM 297 NH2 ARG A 219 -9.128 3.299 -16.635 1.00 1.00 N ATOM 0 H ARG A 219 -9.896 4.651 -8.617 1.00 1.00 H new ATOM 0 HA ARG A 219 -9.450 3.268 -11.096 1.00 1.00 H new ATOM 0 HB2 ARG A 219 -10.955 5.280 -10.754 1.00 1.00 H new ATOM 0 HB3 ARG A 219 -9.522 6.256 -10.497 1.00 1.00 H new ATOM 0 HG2 ARG A 219 -10.362 6.460 -12.810 1.00 1.00 H new ATOM 0 HG3 ARG A 219 -8.738 5.802 -12.770 1.00 1.00 H new ATOM 0 HD2 ARG A 219 -9.988 3.464 -12.756 1.00 1.00 H new ATOM 0 HD3 ARG A 219 -11.338 4.392 -13.381 1.00 1.00 H new ATOM 0 HE ARG A 219 -9.170 5.148 -14.973 1.00 1.00 H new ATOM 0 HH11 ARG A 219 -10.914 2.159 -14.214 1.00 1.00 H new ATOM 0 HH12 ARG A 219 -10.478 1.387 -15.742 1.00 1.00 H new ATOM 0 HH21 ARG A 219 -8.606 4.129 -16.916 1.00 1.00 H new ATOM 0 HH22 ARG A 219 -9.181 2.495 -17.260 1.00 1.00 H new ATOM 311 N THR A 220 -6.920 4.743 -9.667 1.00 1.00 N ATOM 312 CA THR A 220 -5.475 4.940 -9.782 1.00 1.00 C ATOM 313 C THR A 220 -4.743 3.602 -9.761 1.00 1.00 C ATOM 314 O THR A 220 -3.576 3.507 -10.152 1.00 1.00 O ATOM 315 CB THR A 220 -4.911 5.847 -8.661 1.00 1.00 C ATOM 316 OG1 THR A 220 -5.034 5.212 -7.381 1.00 1.00 O ATOM 317 CG2 THR A 220 -5.631 7.186 -8.629 1.00 1.00 C ATOM 0 H THR A 220 -7.308 4.957 -8.748 1.00 1.00 H new ATOM 0 HA THR A 220 -5.307 5.438 -10.737 1.00 1.00 H new ATOM 0 HB THR A 220 -3.856 6.016 -8.878 1.00 1.00 H new ATOM 0 HG1 THR A 220 -5.273 5.881 -6.706 1.00 1.00 H new ATOM 0 HG21 THR A 220 -5.215 7.804 -7.833 1.00 1.00 H new ATOM 0 HG22 THR A 220 -5.501 7.692 -9.586 1.00 1.00 H new ATOM 0 HG23 THR A 220 -6.693 7.024 -8.445 1.00 1.00 H new ATOM 325 N GLY A 221 -5.443 2.568 -9.310 1.00 1.00 N ATOM 326 CA GLY A 221 -4.859 1.246 -9.241 1.00 1.00 C ATOM 327 C GLY A 221 -4.199 0.991 -7.906 1.00 1.00 C ATOM 328 O GLY A 221 -3.295 0.164 -7.797 1.00 1.00 O ATOM 0 H GLY A 221 -6.410 2.624 -8.990 1.00 1.00 H new ATOM 0 HA2 GLY A 221 -5.633 0.498 -9.412 1.00 1.00 H new ATOM 0 HA3 GLY A 221 -4.124 1.132 -10.037 1.00 1.00 H new ATOM 332 N HIS A 222 -4.654 1.703 -6.887 1.00 1.00 N ATOM 333 CA HIS A 222 -4.103 1.560 -5.553 1.00 1.00 C ATOM 334 C HIS A 222 -4.745 0.382 -4.838 1.00 1.00 C ATOM 335 O HIS A 222 -5.932 0.413 -4.510 1.00 1.00 O ATOM 336 CB HIS A 222 -4.317 2.845 -4.746 1.00 1.00 C ATOM 337 CG HIS A 222 -3.102 3.282 -3.991 1.00 1.00 C ATOM 338 ND1 HIS A 222 -3.156 3.947 -2.785 1.00 1.00 N ATOM 339 CD2 HIS A 222 -1.789 3.141 -4.278 1.00 1.00 C ATOM 340 CE1 HIS A 222 -1.932 4.190 -2.367 1.00 1.00 C ATOM 341 NE2 HIS A 222 -1.081 3.714 -3.253 1.00 1.00 N ATOM 0 H HIS A 222 -5.406 2.388 -6.961 1.00 1.00 H new ATOM 0 HA HIS A 222 -3.032 1.376 -5.641 1.00 1.00 H new ATOM 0 HB2 HIS A 222 -4.622 3.643 -5.422 1.00 1.00 H new ATOM 0 HB3 HIS A 222 -5.136 2.692 -4.044 1.00 1.00 H new ATOM 0 HD2 HIS A 222 -1.374 2.665 -5.154 1.00 1.00 H new ATOM 0 HE1 HIS A 222 -1.669 4.696 -1.450 1.00 1.00 H new ATOM 0 HE2 HIS A 222 -0.064 3.763 -3.187 1.00 1.00 H new ATOM 350 N TYR A 223 -3.962 -0.664 -4.627 1.00 1.00 N ATOM 351 CA TYR A 223 -4.444 -1.849 -3.940 1.00 1.00 C ATOM 352 C TYR A 223 -4.643 -1.552 -2.464 1.00 1.00 C ATOM 353 O TYR A 223 -3.691 -1.221 -1.757 1.00 1.00 O ATOM 354 CB TYR A 223 -3.463 -3.008 -4.117 1.00 1.00 C ATOM 355 CG TYR A 223 -4.053 -4.176 -4.863 1.00 1.00 C ATOM 356 CD1 TYR A 223 -4.959 -5.030 -4.248 1.00 1.00 C ATOM 357 CD2 TYR A 223 -3.715 -4.417 -6.186 1.00 1.00 C ATOM 358 CE1 TYR A 223 -5.509 -6.095 -4.931 1.00 1.00 C ATOM 359 CE2 TYR A 223 -4.259 -5.480 -6.876 1.00 1.00 C ATOM 360 CZ TYR A 223 -5.157 -6.315 -6.246 1.00 1.00 C ATOM 361 OH TYR A 223 -5.708 -7.370 -6.934 1.00 1.00 O ATOM 0 H TYR A 223 -2.987 -0.715 -4.923 1.00 1.00 H new ATOM 0 HA TYR A 223 -5.401 -2.137 -4.375 1.00 1.00 H new ATOM 0 HB2 TYR A 223 -2.582 -2.652 -4.651 1.00 1.00 H new ATOM 0 HB3 TYR A 223 -3.127 -3.344 -3.136 1.00 1.00 H new ATOM 0 HD1 TYR A 223 -5.237 -4.858 -3.219 1.00 1.00 H new ATOM 0 HD2 TYR A 223 -3.015 -3.762 -6.684 1.00 1.00 H new ATOM 0 HE1 TYR A 223 -6.211 -6.752 -4.439 1.00 1.00 H new ATOM 0 HE2 TYR A 223 -3.983 -5.657 -7.905 1.00 1.00 H new ATOM 0 HH TYR A 223 -5.356 -7.384 -7.848 1.00 1.00 H new ATOM 371 N LEU A 224 -5.883 -1.647 -2.014 1.00 1.00 N ATOM 372 CA LEU A 224 -6.217 -1.379 -0.628 1.00 1.00 C ATOM 373 C LEU A 224 -7.173 -2.441 -0.104 1.00 1.00 C ATOM 374 O LEU A 224 -7.927 -3.040 -0.877 1.00 1.00 O ATOM 375 CB LEU A 224 -6.842 0.013 -0.506 1.00 1.00 C ATOM 376 CG LEU A 224 -5.984 1.156 -1.058 1.00 1.00 C ATOM 377 CD1 LEU A 224 -6.813 2.412 -1.264 1.00 1.00 C ATOM 378 CD2 LEU A 224 -4.819 1.439 -0.126 1.00 1.00 C ATOM 0 H LEU A 224 -6.679 -1.910 -2.595 1.00 1.00 H new ATOM 0 HA LEU A 224 -5.307 -1.409 -0.028 1.00 1.00 H new ATOM 0 HB2 LEU A 224 -7.799 0.012 -1.027 1.00 1.00 H new ATOM 0 HB3 LEU A 224 -7.051 0.210 0.545 1.00 1.00 H new ATOM 0 HG LEU A 224 -5.593 0.847 -2.027 1.00 1.00 H new ATOM 0 HD11 LEU A 224 -6.178 3.207 -1.656 1.00 1.00 H new ATOM 0 HD12 LEU A 224 -7.616 2.206 -1.972 1.00 1.00 H new ATOM 0 HD13 LEU A 224 -7.241 2.726 -0.312 1.00 1.00 H new ATOM 0 HD21 LEU A 224 -4.218 2.253 -0.531 1.00 1.00 H new ATOM 0 HD22 LEU A 224 -5.199 1.722 0.856 1.00 1.00 H new ATOM 0 HD23 LEU A 224 -4.202 0.545 -0.033 1.00 1.00 H new ATOM 390 N CYS A 225 -7.118 -2.665 1.205 1.00 1.00 N ATOM 391 CA CYS A 225 -7.951 -3.650 1.884 1.00 1.00 C ATOM 392 C CYS A 225 -9.431 -3.496 1.540 1.00 1.00 C ATOM 393 O CYS A 225 -9.987 -4.222 0.708 1.00 1.00 O ATOM 394 CB CYS A 225 -7.763 -3.487 3.393 1.00 1.00 C ATOM 395 SG CYS A 225 -7.863 -1.751 3.955 1.00 1.00 S ATOM 0 H CYS A 225 -6.488 -2.163 1.830 1.00 1.00 H new ATOM 0 HA CYS A 225 -7.643 -4.641 1.552 1.00 1.00 H new ATOM 0 HB2 CYS A 225 -8.522 -4.073 3.911 1.00 1.00 H new ATOM 0 HB3 CYS A 225 -6.794 -3.898 3.677 1.00 1.00 H new ATOM 0 HG CYS A 225 -6.923 -1.521 4.823 1.00 1.00 H new ATOM 400 N ASN A 226 -10.061 -2.557 2.212 1.00 1.00 N ATOM 401 CA ASN A 226 -11.470 -2.274 2.021 1.00 1.00 C ATOM 402 C ASN A 226 -11.782 -0.902 2.586 1.00 1.00 C ATOM 403 O ASN A 226 -12.315 -0.039 1.890 1.00 1.00 O ATOM 404 CB ASN A 226 -12.333 -3.335 2.714 1.00 1.00 C ATOM 405 CG ASN A 226 -13.814 -3.156 2.436 1.00 1.00 C ATOM 406 OD1 ASN A 226 -14.524 -2.484 3.185 1.00 1.00 O ATOM 407 ND2 ASN A 226 -14.296 -3.767 1.365 1.00 1.00 N ATOM 0 H ASN A 226 -9.610 -1.965 2.909 1.00 1.00 H new ATOM 0 HA ASN A 226 -11.697 -2.294 0.955 1.00 1.00 H new ATOM 0 HB2 ASN A 226 -12.022 -4.325 2.381 1.00 1.00 H new ATOM 0 HB3 ASN A 226 -12.161 -3.292 3.790 1.00 1.00 H new ATOM 0 HD21 ASN A 226 -15.287 -3.690 1.137 1.00 1.00 H new ATOM 0 HD22 ASN A 226 -13.676 -4.315 0.768 1.00 1.00 H new ATOM 414 N ALA A 227 -11.403 -0.700 3.846 1.00 1.00 N ATOM 415 CA ALA A 227 -11.635 0.566 4.530 1.00 1.00 C ATOM 416 C ALA A 227 -10.867 1.687 3.846 1.00 1.00 C ATOM 417 O ALA A 227 -11.442 2.715 3.478 1.00 1.00 O ATOM 418 CB ALA A 227 -11.236 0.460 5.993 1.00 1.00 C ATOM 0 H ALA A 227 -10.931 -1.403 4.415 1.00 1.00 H new ATOM 0 HA ALA A 227 -12.699 0.797 4.480 1.00 1.00 H new ATOM 0 HB1 ALA A 227 -11.416 1.414 6.489 1.00 1.00 H new ATOM 0 HB2 ALA A 227 -11.828 -0.317 6.476 1.00 1.00 H new ATOM 0 HB3 ALA A 227 -10.178 0.208 6.064 1.00 1.00 H new ATOM 424 N CYS A 228 -9.570 1.476 3.662 1.00 1.00 N ATOM 425 CA CYS A 228 -8.726 2.457 3.008 1.00 1.00 C ATOM 426 C CYS A 228 -9.140 2.609 1.544 1.00 1.00 C ATOM 427 O CYS A 228 -9.014 3.681 0.954 1.00 1.00 O ATOM 428 CB CYS A 228 -7.267 2.025 3.126 1.00 1.00 C ATOM 429 SG CYS A 228 -6.827 1.407 4.788 1.00 1.00 S ATOM 0 H CYS A 228 -9.082 0.631 3.959 1.00 1.00 H new ATOM 0 HA CYS A 228 -8.842 3.427 3.492 1.00 1.00 H new ATOM 0 HB2 CYS A 228 -7.066 1.245 2.391 1.00 1.00 H new ATOM 0 HB3 CYS A 228 -6.624 2.870 2.878 1.00 1.00 H new ATOM 0 HG CYS A 228 -7.235 0.179 4.917 1.00 1.00 H new ATOM 434 N GLY A 229 -9.657 1.525 0.975 1.00 1.00 N ATOM 435 CA GLY A 229 -10.103 1.548 -0.405 1.00 1.00 C ATOM 436 C GLY A 229 -11.262 2.505 -0.602 1.00 1.00 C ATOM 437 O GLY A 229 -11.333 3.217 -1.605 1.00 1.00 O ATOM 0 H GLY A 229 -9.775 0.629 1.447 1.00 1.00 H new ATOM 0 HA2 GLY A 229 -9.275 1.841 -1.051 1.00 1.00 H new ATOM 0 HA3 GLY A 229 -10.404 0.545 -0.707 1.00 1.00 H new ATOM 441 N LEU A 230 -12.174 2.519 0.366 1.00 1.00 N ATOM 442 CA LEU A 230 -13.337 3.397 0.314 1.00 1.00 C ATOM 443 C LEU A 230 -12.905 4.848 0.501 1.00 1.00 C ATOM 444 O LEU A 230 -13.417 5.751 -0.162 1.00 1.00 O ATOM 445 CB LEU A 230 -14.356 3.006 1.390 1.00 1.00 C ATOM 446 CG LEU A 230 -14.896 1.575 1.296 1.00 1.00 C ATOM 447 CD1 LEU A 230 -15.622 1.196 2.577 1.00 1.00 C ATOM 448 CD2 LEU A 230 -15.822 1.429 0.098 1.00 1.00 C ATOM 0 H LEU A 230 -12.129 1.930 1.198 1.00 1.00 H new ATOM 0 HA LEU A 230 -13.809 3.290 -0.663 1.00 1.00 H new ATOM 0 HB2 LEU A 230 -13.894 3.138 2.368 1.00 1.00 H new ATOM 0 HB3 LEU A 230 -15.197 3.698 1.338 1.00 1.00 H new ATOM 0 HG LEU A 230 -14.052 0.898 1.162 1.00 1.00 H new ATOM 0 HD11 LEU A 230 -15.999 0.177 2.493 1.00 1.00 H new ATOM 0 HD12 LEU A 230 -14.932 1.260 3.419 1.00 1.00 H new ATOM 0 HD13 LEU A 230 -16.456 1.879 2.739 1.00 1.00 H new ATOM 0 HD21 LEU A 230 -16.195 0.406 0.049 1.00 1.00 H new ATOM 0 HD22 LEU A 230 -16.661 2.117 0.201 1.00 1.00 H new ATOM 0 HD23 LEU A 230 -15.274 1.660 -0.816 1.00 1.00 H new ATOM 460 N TYR A 231 -11.934 5.056 1.387 1.00 1.00 N ATOM 461 CA TYR A 231 -11.412 6.390 1.667 1.00 1.00 C ATOM 462 C TYR A 231 -10.792 7.000 0.408 1.00 1.00 C ATOM 463 O TYR A 231 -10.903 8.207 0.169 1.00 1.00 O ATOM 464 CB TYR A 231 -10.396 6.318 2.826 1.00 1.00 C ATOM 465 CG TYR A 231 -9.045 6.962 2.554 1.00 1.00 C ATOM 466 CD1 TYR A 231 -8.849 8.326 2.738 1.00 1.00 C ATOM 467 CD2 TYR A 231 -7.965 6.199 2.121 1.00 1.00 C ATOM 468 CE1 TYR A 231 -7.618 8.908 2.498 1.00 1.00 C ATOM 469 CE2 TYR A 231 -6.732 6.774 1.880 1.00 1.00 C ATOM 470 CZ TYR A 231 -6.564 8.128 2.067 1.00 1.00 C ATOM 471 OH TYR A 231 -5.337 8.703 1.826 1.00 1.00 O ATOM 0 H TYR A 231 -11.491 4.312 1.926 1.00 1.00 H new ATOM 0 HA TYR A 231 -12.231 7.042 1.972 1.00 1.00 H new ATOM 0 HB2 TYR A 231 -10.836 6.794 3.702 1.00 1.00 H new ATOM 0 HB3 TYR A 231 -10.235 5.270 3.080 1.00 1.00 H new ATOM 0 HD1 TYR A 231 -9.671 8.941 3.074 1.00 1.00 H new ATOM 0 HD2 TYR A 231 -8.093 5.137 1.970 1.00 1.00 H new ATOM 0 HE1 TYR A 231 -7.482 9.969 2.647 1.00 1.00 H new ATOM 0 HE2 TYR A 231 -5.905 6.165 1.547 1.00 1.00 H new ATOM 0 HH TYR A 231 -4.958 8.332 1.002 1.00 1.00 H new ATOM 481 N HIS A 232 -10.174 6.151 -0.409 1.00 1.00 N ATOM 482 CA HIS A 232 -9.537 6.589 -1.647 1.00 1.00 C ATOM 483 C HIS A 232 -10.561 7.183 -2.609 1.00 1.00 C ATOM 484 O HIS A 232 -10.246 8.087 -3.380 1.00 1.00 O ATOM 485 CB HIS A 232 -8.814 5.415 -2.324 1.00 1.00 C ATOM 486 CG HIS A 232 -7.765 5.830 -3.320 1.00 1.00 C ATOM 487 ND1 HIS A 232 -7.916 6.889 -4.189 1.00 1.00 N ATOM 488 CD2 HIS A 232 -6.536 5.324 -3.566 1.00 1.00 C ATOM 489 CE1 HIS A 232 -6.827 7.014 -4.923 1.00 1.00 C ATOM 490 NE2 HIS A 232 -5.971 6.077 -4.566 1.00 1.00 N ATOM 0 H HIS A 232 -10.101 5.149 -0.234 1.00 1.00 H new ATOM 0 HA HIS A 232 -8.810 7.360 -1.392 1.00 1.00 H new ATOM 0 HB2 HIS A 232 -8.347 4.799 -1.556 1.00 1.00 H new ATOM 0 HB3 HIS A 232 -9.551 4.791 -2.828 1.00 1.00 H new ATOM 0 HD1 HIS A 232 -8.742 7.484 -4.254 1.00 1.00 H new ATOM 0 HD2 HIS A 232 -6.081 4.481 -3.067 1.00 1.00 H new ATOM 0 HE1 HIS A 232 -6.664 7.759 -5.688 1.00 1.00 H new ATOM 499 N LYS A 233 -11.786 6.681 -2.559 1.00 1.00 N ATOM 500 CA LYS A 233 -12.834 7.166 -3.446 1.00 1.00 C ATOM 501 C LYS A 233 -13.642 8.287 -2.796 1.00 1.00 C ATOM 502 O LYS A 233 -13.969 9.281 -3.444 1.00 1.00 O ATOM 503 CB LYS A 233 -13.758 6.017 -3.855 1.00 1.00 C ATOM 504 CG LYS A 233 -14.697 6.372 -4.998 1.00 1.00 C ATOM 505 CD LYS A 233 -15.354 5.135 -5.584 1.00 1.00 C ATOM 506 CE LYS A 233 -16.162 5.463 -6.827 1.00 1.00 C ATOM 507 NZ LYS A 233 -16.587 4.232 -7.542 1.00 1.00 N ATOM 0 H LYS A 233 -12.078 5.943 -1.918 1.00 1.00 H new ATOM 0 HA LYS A 233 -12.354 7.572 -4.337 1.00 1.00 H new ATOM 0 HB2 LYS A 233 -13.152 5.159 -4.146 1.00 1.00 H new ATOM 0 HB3 LYS A 233 -14.349 5.711 -2.992 1.00 1.00 H new ATOM 0 HG2 LYS A 233 -15.465 7.058 -4.640 1.00 1.00 H new ATOM 0 HG3 LYS A 233 -14.142 6.894 -5.777 1.00 1.00 H new ATOM 0 HD2 LYS A 233 -14.589 4.399 -5.831 1.00 1.00 H new ATOM 0 HD3 LYS A 233 -16.004 4.680 -4.837 1.00 1.00 H new ATOM 0 HE2 LYS A 233 -17.041 6.044 -6.548 1.00 1.00 H new ATOM 0 HE3 LYS A 233 -15.567 6.086 -7.495 1.00 1.00 H new ATOM 0 HZ1 LYS A 233 -17.136 4.493 -8.386 1.00 1.00 H new ATOM 0 HZ2 LYS A 233 -15.747 3.690 -7.830 1.00 1.00 H new ATOM 0 HZ3 LYS A 233 -17.175 3.650 -6.912 1.00 1.00 H new ATOM 521 N MET A 234 -13.957 8.125 -1.517 1.00 1.00 N ATOM 522 CA MET A 234 -14.736 9.119 -0.786 1.00 1.00 C ATOM 523 C MET A 234 -13.986 10.441 -0.670 1.00 1.00 C ATOM 524 O MET A 234 -14.486 11.490 -1.079 1.00 1.00 O ATOM 525 CB MET A 234 -15.086 8.600 0.610 1.00 1.00 C ATOM 526 CG MET A 234 -15.833 9.610 1.471 1.00 1.00 C ATOM 527 SD MET A 234 -16.236 8.969 3.106 1.00 1.00 S ATOM 528 CE MET A 234 -17.084 10.379 3.819 1.00 1.00 C ATOM 0 H MET A 234 -13.685 7.313 -0.963 1.00 1.00 H new ATOM 0 HA MET A 234 -15.654 9.295 -1.347 1.00 1.00 H new ATOM 0 HB2 MET A 234 -15.694 7.701 0.511 1.00 1.00 H new ATOM 0 HB3 MET A 234 -14.168 8.310 1.121 1.00 1.00 H new ATOM 0 HG2 MET A 234 -15.226 10.509 1.577 1.00 1.00 H new ATOM 0 HG3 MET A 234 -16.752 9.904 0.964 1.00 1.00 H new ATOM 0 HE1 MET A 234 -17.398 10.139 4.835 1.00 1.00 H new ATOM 0 HE2 MET A 234 -16.411 11.236 3.840 1.00 1.00 H new ATOM 0 HE3 MET A 234 -17.960 10.620 3.216 1.00 1.00 H new ATOM 538 N ASN A 235 -12.781 10.383 -0.121 1.00 1.00 N ATOM 539 CA ASN A 235 -11.971 11.579 0.064 1.00 1.00 C ATOM 540 C ASN A 235 -11.249 11.942 -1.226 1.00 1.00 C ATOM 541 O ASN A 235 -10.866 13.092 -1.432 1.00 1.00 O ATOM 542 CB ASN A 235 -10.954 11.361 1.190 1.00 1.00 C ATOM 543 CG ASN A 235 -10.646 12.629 1.971 1.00 1.00 C ATOM 544 OD1 ASN A 235 -10.527 12.597 3.196 1.00 1.00 O ATOM 545 ND2 ASN A 235 -10.503 13.751 1.278 1.00 1.00 N ATOM 0 H ASN A 235 -12.343 9.521 0.204 1.00 1.00 H new ATOM 0 HA ASN A 235 -12.631 12.402 0.336 1.00 1.00 H new ATOM 0 HB2 ASN A 235 -11.336 10.604 1.875 1.00 1.00 H new ATOM 0 HB3 ASN A 235 -10.030 10.970 0.765 1.00 1.00 H new ATOM 0 HD21 ASN A 235 -10.287 14.624 1.760 1.00 1.00 H new ATOM 0 HD22 ASN A 235 -10.609 13.741 0.264 1.00 1.00 H new ATOM 552 N GLY A 236 -11.062 10.951 -2.089 1.00 1.00 N ATOM 553 CA GLY A 236 -10.379 11.181 -3.347 1.00 1.00 C ATOM 554 C GLY A 236 -8.879 11.255 -3.169 1.00 1.00 C ATOM 555 O GLY A 236 -8.156 11.684 -4.066 1.00 1.00 O ATOM 0 H GLY A 236 -11.372 9.991 -1.939 1.00 1.00 H new ATOM 0 HA2 GLY A 236 -10.623 10.379 -4.044 1.00 1.00 H new ATOM 0 HA3 GLY A 236 -10.738 12.110 -3.791 1.00 1.00 H new ATOM 559 N GLN A 237 -8.417 10.832 -2.002 1.00 1.00 N ATOM 560 CA GLN A 237 -7.002 10.848 -1.680 1.00 1.00 C ATOM 561 C GLN A 237 -6.402 9.475 -1.957 1.00 1.00 C ATOM 562 O GLN A 237 -7.083 8.460 -1.811 1.00 1.00 O ATOM 563 CB GLN A 237 -6.817 11.240 -0.212 1.00 1.00 C ATOM 564 CG GLN A 237 -5.387 11.584 0.169 1.00 1.00 C ATOM 565 CD GLN A 237 -5.290 12.206 1.547 1.00 1.00 C ATOM 566 OE1 GLN A 237 -5.322 13.428 1.693 1.00 1.00 O ATOM 567 NE2 GLN A 237 -5.177 11.371 2.568 1.00 1.00 N ATOM 0 H GLN A 237 -9.011 10.470 -1.256 1.00 1.00 H new ATOM 0 HA GLN A 237 -6.487 11.581 -2.301 1.00 1.00 H new ATOM 0 HB2 GLN A 237 -7.455 12.097 0.006 1.00 1.00 H new ATOM 0 HB3 GLN A 237 -7.160 10.419 0.417 1.00 1.00 H new ATOM 0 HG2 GLN A 237 -4.778 10.680 0.138 1.00 1.00 H new ATOM 0 HG3 GLN A 237 -4.973 12.273 -0.568 1.00 1.00 H new ATOM 0 HE21 GLN A 237 -5.154 10.365 2.404 1.00 1.00 H new ATOM 0 HE22 GLN A 237 -5.113 11.734 3.519 1.00 1.00 H new ATOM 576 N ASN A 238 -5.142 9.453 -2.370 1.00 1.00 N ATOM 577 CA ASN A 238 -4.451 8.205 -2.685 1.00 1.00 C ATOM 578 C ASN A 238 -4.299 7.334 -1.443 1.00 1.00 C ATOM 579 O ASN A 238 -4.052 7.894 -0.355 1.00 1.00 O ATOM 580 CB ASN A 238 -3.074 8.492 -3.291 1.00 1.00 C ATOM 581 CG ASN A 238 -2.482 7.284 -3.997 1.00 1.00 C ATOM 582 OD1 ASN A 238 -1.166 7.137 -3.914 1.00 1.00 O flip ATOM 583 ND2 ASN A 238 -3.200 6.491 -4.611 1.00 1.00 N flip ATOM 0 H ASN A 238 -4.573 10.290 -2.496 1.00 1.00 H new ATOM 0 HA ASN A 238 -5.055 7.665 -3.414 1.00 1.00 H new ATOM 0 HB2 ASN A 238 -3.158 9.317 -3.999 1.00 1.00 H new ATOM 0 HB3 ASN A 238 -2.395 8.816 -2.503 1.00 1.00 H new ATOM 0 HD21 ASN A 238 -4.208 6.641 -4.650 1.00 1.00 H new ATOM 0 HD22 ASN A 238 -2.786 5.685 -5.079 1.00 1.00 H new ATOM 591 N GLY B 1 25.148 2.678 -13.550 1.00 1.00 N ATOM 592 CA GLY B 1 23.922 2.102 -12.951 1.00 1.00 C ATOM 593 C GLY B 1 24.097 1.824 -11.477 1.00 1.00 C ATOM 594 O GLY B 1 24.733 2.612 -10.777 1.00 1.00 O ATOM 0 H1 GLY B 1 24.892 3.481 -14.160 1.00 1.00 H new ATOM 0 H2 GLY B 1 25.783 3.006 -12.794 1.00 1.00 H new ATOM 0 H3 GLY B 1 25.631 1.953 -14.117 1.00 1.00 H new ATOM 0 HA2 GLY B 1 23.089 2.790 -13.095 1.00 1.00 H new ATOM 0 HA3 GLY B 1 23.665 1.177 -13.468 1.00 1.00 H new ATOM 600 N SER B 2 23.530 0.707 -11.016 1.00 1.00 N ATOM 601 CA SER B 2 23.609 0.287 -9.614 1.00 1.00 C ATOM 602 C SER B 2 22.767 1.186 -8.707 1.00 1.00 C ATOM 603 O SER B 2 21.798 0.728 -8.099 1.00 1.00 O ATOM 604 CB SER B 2 25.063 0.253 -9.133 1.00 1.00 C ATOM 605 OG SER B 2 25.884 -0.444 -10.060 1.00 1.00 O ATOM 0 H SER B 2 23.001 0.065 -11.607 1.00 1.00 H new ATOM 0 HA SER B 2 23.201 -0.722 -9.555 1.00 1.00 H new ATOM 0 HB2 SER B 2 25.433 1.270 -9.006 1.00 1.00 H new ATOM 0 HB3 SER B 2 25.117 -0.230 -8.157 1.00 1.00 H new ATOM 0 HG SER B 2 26.809 -0.453 -9.736 1.00 1.00 H new ATOM 611 N LEU B 3 23.131 2.460 -8.631 1.00 1.00 N ATOM 612 CA LEU B 3 22.421 3.419 -7.798 1.00 1.00 C ATOM 613 C LEU B 3 21.207 3.973 -8.536 1.00 1.00 C ATOM 614 O LEU B 3 21.065 3.764 -9.743 1.00 1.00 O ATOM 615 CB LEU B 3 23.363 4.550 -7.393 1.00 1.00 C ATOM 616 CG LEU B 3 24.558 4.114 -6.544 1.00 1.00 C ATOM 617 CD1 LEU B 3 25.568 5.243 -6.423 1.00 1.00 C ATOM 618 CD2 LEU B 3 24.096 3.663 -5.165 1.00 1.00 C ATOM 0 H LEU B 3 23.921 2.854 -9.142 1.00 1.00 H new ATOM 0 HA LEU B 3 22.070 2.913 -6.899 1.00 1.00 H new ATOM 0 HB2 LEU B 3 23.734 5.036 -8.295 1.00 1.00 H new ATOM 0 HB3 LEU B 3 22.795 5.297 -6.839 1.00 1.00 H new ATOM 0 HG LEU B 3 25.042 3.272 -7.039 1.00 1.00 H new ATOM 0 HD11 LEU B 3 26.411 4.914 -5.815 1.00 1.00 H new ATOM 0 HD12 LEU B 3 25.923 5.522 -7.415 1.00 1.00 H new ATOM 0 HD13 LEU B 3 25.096 6.105 -5.951 1.00 1.00 H new ATOM 0 HD21 LEU B 3 24.959 3.356 -4.574 1.00 1.00 H new ATOM 0 HD22 LEU B 3 23.588 4.487 -4.664 1.00 1.00 H new ATOM 0 HD23 LEU B 3 23.410 2.822 -5.268 1.00 1.00 H new ATOM 630 N LEU B 4 20.334 4.668 -7.797 1.00 1.00 N ATOM 631 CA LEU B 4 19.110 5.257 -8.354 1.00 1.00 C ATOM 632 C LEU B 4 18.135 4.163 -8.779 1.00 1.00 C ATOM 633 O LEU B 4 17.179 4.411 -9.520 1.00 1.00 O ATOM 634 CB LEU B 4 19.427 6.180 -9.543 1.00 1.00 C ATOM 635 CG LEU B 4 19.417 7.684 -9.241 1.00 1.00 C ATOM 636 CD1 LEU B 4 18.031 8.135 -8.811 1.00 1.00 C ATOM 637 CD2 LEU B 4 20.445 8.033 -8.175 1.00 1.00 C ATOM 0 H LEU B 4 20.455 4.838 -6.799 1.00 1.00 H new ATOM 0 HA LEU B 4 18.645 5.859 -7.573 1.00 1.00 H new ATOM 0 HB2 LEU B 4 20.409 5.913 -9.934 1.00 1.00 H new ATOM 0 HB3 LEU B 4 18.704 5.983 -10.335 1.00 1.00 H new ATOM 0 HG LEU B 4 19.684 8.212 -10.156 1.00 1.00 H new ATOM 0 HD11 LEU B 4 18.045 9.205 -8.601 1.00 1.00 H new ATOM 0 HD12 LEU B 4 17.318 7.931 -9.610 1.00 1.00 H new ATOM 0 HD13 LEU B 4 17.734 7.593 -7.913 1.00 1.00 H new ATOM 0 HD21 LEU B 4 20.417 9.105 -7.980 1.00 1.00 H new ATOM 0 HD22 LEU B 4 20.216 7.491 -7.257 1.00 1.00 H new ATOM 0 HD23 LEU B 4 21.439 7.753 -8.523 1.00 1.00 H new ATOM 649 N LYS B 5 18.375 2.955 -8.289 1.00 1.00 N ATOM 650 CA LYS B 5 17.538 1.813 -8.616 1.00 1.00 C ATOM 651 C LYS B 5 17.048 1.116 -7.353 1.00 1.00 C ATOM 652 O LYS B 5 17.848 0.715 -6.506 1.00 1.00 O ATOM 653 CB LYS B 5 18.317 0.819 -9.482 1.00 1.00 C ATOM 654 CG LYS B 5 18.656 1.336 -10.873 1.00 1.00 C ATOM 655 CD LYS B 5 17.511 1.115 -11.849 1.00 1.00 C ATOM 656 CE LYS B 5 16.500 2.251 -11.804 1.00 1.00 C ATOM 657 NZ LYS B 5 15.227 1.890 -12.479 1.00 1.00 N ATOM 0 H LYS B 5 19.149 2.741 -7.659 1.00 1.00 H new ATOM 0 HA LYS B 5 16.673 2.177 -9.170 1.00 1.00 H new ATOM 0 HB2 LYS B 5 19.242 0.555 -8.969 1.00 1.00 H new ATOM 0 HB3 LYS B 5 17.733 -0.096 -9.579 1.00 1.00 H new ATOM 0 HG2 LYS B 5 18.888 2.400 -10.819 1.00 1.00 H new ATOM 0 HG3 LYS B 5 19.550 0.832 -11.241 1.00 1.00 H new ATOM 0 HD2 LYS B 5 17.908 1.022 -12.860 1.00 1.00 H new ATOM 0 HD3 LYS B 5 17.011 0.175 -11.616 1.00 1.00 H new ATOM 0 HE2 LYS B 5 16.298 2.515 -10.766 1.00 1.00 H new ATOM 0 HE3 LYS B 5 16.925 3.134 -12.281 1.00 1.00 H new ATOM 0 HZ1 LYS B 5 14.566 2.691 -12.426 1.00 1.00 H new ATOM 0 HZ2 LYS B 5 15.415 1.662 -13.476 1.00 1.00 H new ATOM 0 HZ3 LYS B 5 14.807 1.063 -12.009 1.00 1.00 H new ATOM 671 N PRO B 6 15.724 0.981 -7.200 1.00 1.00 N ATOM 672 CA PRO B 6 15.135 0.308 -6.046 1.00 1.00 C ATOM 673 C PRO B 6 15.292 -1.209 -6.138 1.00 1.00 C ATOM 674 O PRO B 6 15.023 -1.812 -7.181 1.00 1.00 O ATOM 675 CB PRO B 6 13.661 0.708 -6.112 1.00 1.00 C ATOM 676 CG PRO B 6 13.401 0.996 -7.552 1.00 1.00 C ATOM 677 CD PRO B 6 14.700 1.487 -8.134 1.00 1.00 C ATOM 0 HA PRO B 6 15.615 0.591 -5.109 1.00 1.00 H new ATOM 0 HB2 PRO B 6 13.018 -0.094 -5.748 1.00 1.00 H new ATOM 0 HB3 PRO B 6 13.462 1.583 -5.493 1.00 1.00 H new ATOM 0 HG2 PRO B 6 13.058 0.101 -8.070 1.00 1.00 H new ATOM 0 HG3 PRO B 6 12.619 1.747 -7.662 1.00 1.00 H new ATOM 0 HD2 PRO B 6 14.856 1.104 -9.143 1.00 1.00 H new ATOM 0 HD3 PRO B 6 14.722 2.575 -8.199 1.00 1.00 H new ATOM 685 N ALA B 7 15.731 -1.823 -5.052 1.00 1.00 N ATOM 686 CA ALA B 7 15.929 -3.265 -5.024 1.00 1.00 C ATOM 687 C ALA B 7 15.391 -3.869 -3.734 1.00 1.00 C ATOM 688 O ALA B 7 15.639 -5.036 -3.429 1.00 1.00 O ATOM 689 CB ALA B 7 17.404 -3.600 -5.185 1.00 1.00 C ATOM 0 H ALA B 7 15.957 -1.347 -4.178 1.00 1.00 H new ATOM 0 HA ALA B 7 15.375 -3.696 -5.858 1.00 1.00 H new ATOM 0 HB1 ALA B 7 17.536 -4.682 -5.162 1.00 1.00 H new ATOM 0 HB2 ALA B 7 17.764 -3.211 -6.137 1.00 1.00 H new ATOM 0 HB3 ALA B 7 17.971 -3.148 -4.371 1.00 1.00 H new ATOM 695 N ARG B 8 14.664 -3.067 -2.971 1.00 1.00 N ATOM 696 CA ARG B 8 14.095 -3.526 -1.713 1.00 1.00 C ATOM 697 C ARG B 8 12.575 -3.413 -1.735 1.00 1.00 C ATOM 698 O ARG B 8 12.024 -2.424 -2.225 1.00 1.00 O ATOM 699 CB ARG B 8 14.645 -2.707 -0.540 1.00 1.00 C ATOM 700 CG ARG B 8 16.165 -2.640 -0.480 1.00 1.00 C ATOM 701 CD ARG B 8 16.779 -3.978 -0.102 1.00 1.00 C ATOM 702 NE ARG B 8 18.144 -3.820 0.400 1.00 1.00 N ATOM 703 CZ ARG B 8 19.018 -4.817 0.527 1.00 1.00 C ATOM 704 NH1 ARG B 8 18.681 -6.054 0.189 1.00 1.00 N ATOM 705 NH2 ARG B 8 20.231 -4.569 0.999 1.00 1.00 N ATOM 0 H ARG B 8 14.454 -2.096 -3.201 1.00 1.00 H new ATOM 0 HA ARG B 8 14.375 -4.572 -1.584 1.00 1.00 H new ATOM 0 HB2 ARG B 8 14.251 -1.693 -0.604 1.00 1.00 H new ATOM 0 HB3 ARG B 8 14.275 -3.135 0.392 1.00 1.00 H new ATOM 0 HG2 ARG B 8 16.553 -2.324 -1.448 1.00 1.00 H new ATOM 0 HG3 ARG B 8 16.466 -1.885 0.246 1.00 1.00 H new ATOM 0 HD2 ARG B 8 16.164 -4.460 0.658 1.00 1.00 H new ATOM 0 HD3 ARG B 8 16.784 -4.636 -0.971 1.00 1.00 H new ATOM 0 HE ARG B 8 18.446 -2.884 0.671 1.00 1.00 H new ATOM 0 HH11 ARG B 8 17.747 -6.248 -0.171 1.00 1.00 H new ATOM 0 HH12 ARG B 8 19.356 -6.812 0.289 1.00 1.00 H new ATOM 0 HH21 ARG B 8 20.491 -3.619 1.263 1.00 1.00 H new ATOM 0 HH22 ARG B 8 20.905 -5.328 1.099 1.00 1.00 H new ATOM 719 N PHE B 9 11.907 -4.431 -1.210 1.00 1.00 N ATOM 720 CA PHE B 9 10.450 -4.442 -1.141 1.00 1.00 C ATOM 721 C PHE B 9 10.008 -4.679 0.297 1.00 1.00 C ATOM 722 O PHE B 9 8.824 -4.834 0.593 1.00 1.00 O ATOM 723 CB PHE B 9 9.855 -5.502 -2.077 1.00 1.00 C ATOM 724 CG PHE B 9 10.541 -6.842 -2.026 1.00 1.00 C ATOM 725 CD1 PHE B 9 10.216 -7.771 -1.050 1.00 1.00 C ATOM 726 CD2 PHE B 9 11.502 -7.174 -2.967 1.00 1.00 C ATOM 727 CE1 PHE B 9 10.840 -9.004 -1.012 1.00 1.00 C ATOM 728 CE2 PHE B 9 12.129 -8.405 -2.934 1.00 1.00 C ATOM 729 CZ PHE B 9 11.796 -9.322 -1.956 1.00 1.00 C ATOM 0 H PHE B 9 12.352 -5.264 -0.824 1.00 1.00 H new ATOM 0 HA PHE B 9 10.079 -3.472 -1.473 1.00 1.00 H new ATOM 0 HB2 PHE B 9 8.803 -5.638 -1.828 1.00 1.00 H new ATOM 0 HB3 PHE B 9 9.894 -5.127 -3.100 1.00 1.00 H new ATOM 0 HD1 PHE B 9 9.467 -7.529 -0.311 1.00 1.00 H new ATOM 0 HD2 PHE B 9 11.764 -6.462 -3.736 1.00 1.00 H new ATOM 0 HE1 PHE B 9 10.580 -9.718 -0.245 1.00 1.00 H new ATOM 0 HE2 PHE B 9 12.879 -8.650 -3.672 1.00 1.00 H new ATOM 0 HZ PHE B 9 12.283 -10.286 -1.930 1.00 1.00 H new ATOM 739 N MET B 10 10.987 -4.705 1.185 1.00 1.00 N ATOM 740 CA MET B 10 10.745 -4.906 2.601 1.00 1.00 C ATOM 741 C MET B 10 11.174 -3.665 3.372 1.00 1.00 C ATOM 742 O MET B 10 12.216 -3.075 3.075 1.00 1.00 O ATOM 743 CB MET B 10 11.517 -6.133 3.097 1.00 1.00 C ATOM 744 CG MET B 10 11.334 -6.425 4.578 1.00 1.00 C ATOM 745 SD MET B 10 12.196 -7.925 5.093 1.00 1.00 S ATOM 746 CE MET B 10 11.674 -8.047 6.804 1.00 1.00 C ATOM 0 H MET B 10 11.971 -4.587 0.944 1.00 1.00 H new ATOM 0 HA MET B 10 9.681 -5.077 2.764 1.00 1.00 H new ATOM 0 HB2 MET B 10 11.200 -7.004 2.524 1.00 1.00 H new ATOM 0 HB3 MET B 10 12.578 -5.987 2.895 1.00 1.00 H new ATOM 0 HG2 MET B 10 11.701 -5.580 5.161 1.00 1.00 H new ATOM 0 HG3 MET B 10 10.271 -6.526 4.797 1.00 1.00 H new ATOM 0 HE1 MET B 10 12.220 -8.853 7.294 1.00 1.00 H new ATOM 0 HE2 MET B 10 11.879 -7.106 7.315 1.00 1.00 H new ATOM 0 HE3 MET B 10 10.605 -8.256 6.844 1.00 1.00 H new ATOM 756 N CYS B 11 10.361 -3.252 4.331 1.00 1.00 N ATOM 757 CA CYS B 11 10.676 -2.090 5.138 1.00 1.00 C ATOM 758 C CYS B 11 11.709 -2.449 6.197 1.00 1.00 C ATOM 759 O CYS B 11 11.793 -3.597 6.634 1.00 1.00 O ATOM 760 CB CYS B 11 9.410 -1.547 5.803 1.00 1.00 C ATOM 761 SG CYS B 11 9.607 0.099 6.553 1.00 1.00 S ATOM 0 H CYS B 11 9.479 -3.706 4.568 1.00 1.00 H new ATOM 0 HA CYS B 11 11.090 -1.318 4.489 1.00 1.00 H new ATOM 0 HB2 CYS B 11 8.614 -1.502 5.060 1.00 1.00 H new ATOM 0 HB3 CYS B 11 9.088 -2.248 6.573 1.00 1.00 H new ATOM 0 HG CYS B 11 8.547 0.389 7.247 1.00 1.00 H new ATOM 766 N LEU B 12 12.488 -1.467 6.602 1.00 1.00 N ATOM 767 CA LEU B 12 13.504 -1.673 7.618 1.00 1.00 C ATOM 768 C LEU B 12 12.985 -1.225 8.985 1.00 1.00 C ATOM 769 O LEU B 12 13.041 -1.998 9.940 1.00 1.00 O ATOM 770 CB LEU B 12 14.809 -0.960 7.255 1.00 1.00 C ATOM 771 CG LEU B 12 15.681 -1.697 6.237 1.00 1.00 C ATOM 772 CD1 LEU B 12 15.307 -1.294 4.818 1.00 1.00 C ATOM 773 CD2 LEU B 12 17.153 -1.427 6.507 1.00 1.00 C ATOM 0 H LEU B 12 12.438 -0.514 6.242 1.00 1.00 H new ATOM 0 HA LEU B 12 13.725 -2.739 7.669 1.00 1.00 H new ATOM 0 HB2 LEU B 12 14.569 0.027 6.860 1.00 1.00 H new ATOM 0 HB3 LEU B 12 15.388 -0.807 8.165 1.00 1.00 H new ATOM 0 HG LEU B 12 15.505 -2.768 6.341 1.00 1.00 H new ATOM 0 HD11 LEU B 12 15.939 -1.829 4.109 1.00 1.00 H new ATOM 0 HD12 LEU B 12 14.262 -1.543 4.633 1.00 1.00 H new ATOM 0 HD13 LEU B 12 15.452 -0.221 4.694 1.00 1.00 H new ATOM 0 HD21 LEU B 12 17.761 -1.958 5.774 1.00 1.00 H new ATOM 0 HD22 LEU B 12 17.346 -0.357 6.431 1.00 1.00 H new ATOM 0 HD23 LEU B 12 17.408 -1.772 7.509 1.00 1.00 H new ATOM 785 N PRO B 13 12.482 0.025 9.119 1.00 1.00 N ATOM 786 CA PRO B 13 11.933 0.500 10.389 1.00 1.00 C ATOM 787 C PRO B 13 10.680 -0.285 10.771 1.00 1.00 C ATOM 788 O PRO B 13 10.555 -0.765 11.902 1.00 1.00 O ATOM 789 CB PRO B 13 11.590 1.974 10.126 1.00 1.00 C ATOM 790 CG PRO B 13 12.341 2.334 8.891 1.00 1.00 C ATOM 791 CD PRO B 13 12.423 1.072 8.085 1.00 1.00 C ATOM 0 HA PRO B 13 12.633 0.373 11.215 1.00 1.00 H new ATOM 0 HB2 PRO B 13 10.517 2.110 9.989 1.00 1.00 H new ATOM 0 HB3 PRO B 13 11.887 2.603 10.965 1.00 1.00 H new ATOM 0 HG2 PRO B 13 11.829 3.120 8.336 1.00 1.00 H new ATOM 0 HG3 PRO B 13 13.335 2.710 9.133 1.00 1.00 H new ATOM 0 HD2 PRO B 13 11.556 0.950 7.436 1.00 1.00 H new ATOM 0 HD3 PRO B 13 13.305 1.058 7.445 1.00 1.00 H new ATOM 799 N CYS B 14 9.768 -0.434 9.812 1.00 1.00 N ATOM 800 CA CYS B 14 8.530 -1.161 10.035 1.00 1.00 C ATOM 801 C CYS B 14 8.771 -2.664 9.993 1.00 1.00 C ATOM 802 O CYS B 14 8.379 -3.394 10.906 1.00 1.00 O ATOM 803 CB CYS B 14 7.498 -0.766 8.981 1.00 1.00 C ATOM 804 SG CYS B 14 7.216 1.028 8.864 1.00 1.00 S ATOM 0 H CYS B 14 9.869 -0.057 8.870 1.00 1.00 H new ATOM 0 HA CYS B 14 8.150 -0.902 11.024 1.00 1.00 H new ATOM 0 HB2 CYS B 14 7.825 -1.137 8.009 1.00 1.00 H new ATOM 0 HB3 CYS B 14 6.553 -1.259 9.209 1.00 1.00 H new ATOM 0 HG CYS B 14 6.329 1.269 7.945 1.00 1.00 H new ATOM 809 N GLY B 15 9.404 -3.119 8.923 1.00 1.00 N ATOM 810 CA GLY B 15 9.699 -4.530 8.770 1.00 1.00 C ATOM 811 C GLY B 15 8.721 -5.229 7.851 1.00 1.00 C ATOM 812 O GLY B 15 9.011 -6.303 7.327 1.00 1.00 O ATOM 0 H GLY B 15 9.721 -2.532 8.152 1.00 1.00 H new ATOM 0 HA2 GLY B 15 10.709 -4.646 8.377 1.00 1.00 H new ATOM 0 HA3 GLY B 15 9.680 -5.010 9.748 1.00 1.00 H new ATOM 816 N ILE B 16 7.564 -4.615 7.646 1.00 1.00 N ATOM 817 CA ILE B 16 6.539 -5.196 6.788 1.00 1.00 C ATOM 818 C ILE B 16 6.990 -5.179 5.330 1.00 1.00 C ATOM 819 O ILE B 16 7.398 -4.141 4.809 1.00 1.00 O ATOM 820 CB ILE B 16 5.188 -4.451 6.914 1.00 1.00 C ATOM 821 CG1 ILE B 16 4.679 -4.482 8.356 1.00 1.00 C ATOM 822 CG2 ILE B 16 4.146 -5.061 5.989 1.00 1.00 C ATOM 823 CD1 ILE B 16 4.976 -3.220 9.134 1.00 1.00 C ATOM 0 H ILE B 16 7.311 -3.718 8.060 1.00 1.00 H new ATOM 0 HA ILE B 16 6.394 -6.225 7.117 1.00 1.00 H new ATOM 0 HB ILE B 16 5.355 -3.414 6.623 1.00 1.00 H new ATOM 0 HG12 ILE B 16 3.602 -4.648 8.348 1.00 1.00 H new ATOM 0 HG13 ILE B 16 5.128 -5.330 8.872 1.00 1.00 H new ATOM 0 HG21 ILE B 16 3.205 -4.521 6.095 1.00 1.00 H new ATOM 0 HG22 ILE B 16 4.490 -4.991 4.957 1.00 1.00 H new ATOM 0 HG23 ILE B 16 3.995 -6.108 6.251 1.00 1.00 H new ATOM 0 HD11 ILE B 16 4.585 -3.316 10.147 1.00 1.00 H new ATOM 0 HD12 ILE B 16 6.054 -3.063 9.175 1.00 1.00 H new ATOM 0 HD13 ILE B 16 4.504 -2.370 8.642 1.00 1.00 H new ATOM 835 N ALA B 17 6.918 -6.330 4.683 1.00 1.00 N ATOM 836 CA ALA B 17 7.318 -6.451 3.292 1.00 1.00 C ATOM 837 C ALA B 17 6.099 -6.561 2.389 1.00 1.00 C ATOM 838 O ALA B 17 5.139 -7.258 2.717 1.00 1.00 O ATOM 839 CB ALA B 17 8.219 -7.662 3.105 1.00 1.00 C ATOM 0 H ALA B 17 6.584 -7.198 5.102 1.00 1.00 H new ATOM 0 HA ALA B 17 7.872 -5.553 3.016 1.00 1.00 H new ATOM 0 HB1 ALA B 17 8.511 -7.740 2.058 1.00 1.00 H new ATOM 0 HB2 ALA B 17 9.110 -7.551 3.723 1.00 1.00 H new ATOM 0 HB3 ALA B 17 7.683 -8.564 3.400 1.00 1.00 H new ATOM 845 N PHE B 18 6.137 -5.875 1.259 1.00 1.00 N ATOM 846 CA PHE B 18 5.036 -5.909 0.312 1.00 1.00 C ATOM 847 C PHE B 18 5.527 -6.397 -1.041 1.00 1.00 C ATOM 848 O PHE B 18 6.731 -6.449 -1.290 1.00 1.00 O ATOM 849 CB PHE B 18 4.388 -4.527 0.173 1.00 1.00 C ATOM 850 CG PHE B 18 3.505 -4.153 1.333 1.00 1.00 C ATOM 851 CD1 PHE B 18 2.877 -5.131 2.090 1.00 1.00 C ATOM 852 CD2 PHE B 18 3.307 -2.825 1.670 1.00 1.00 C ATOM 853 CE1 PHE B 18 2.069 -4.791 3.157 1.00 1.00 C ATOM 854 CE2 PHE B 18 2.498 -2.481 2.736 1.00 1.00 C ATOM 855 CZ PHE B 18 1.882 -3.464 3.483 1.00 1.00 C ATOM 0 H PHE B 18 6.920 -5.287 0.975 1.00 1.00 H new ATOM 0 HA PHE B 18 4.282 -6.601 0.689 1.00 1.00 H new ATOM 0 HB2 PHE B 18 5.172 -3.777 0.068 1.00 1.00 H new ATOM 0 HB3 PHE B 18 3.799 -4.502 -0.744 1.00 1.00 H new ATOM 0 HD1 PHE B 18 3.022 -6.172 1.842 1.00 1.00 H new ATOM 0 HD2 PHE B 18 3.790 -2.050 1.094 1.00 1.00 H new ATOM 0 HE1 PHE B 18 1.584 -5.563 3.736 1.00 1.00 H new ATOM 0 HE2 PHE B 18 2.348 -1.441 2.985 1.00 1.00 H new ATOM 0 HZ PHE B 18 1.255 -3.195 4.320 1.00 1.00 H new ATOM 865 N SER B 19 4.596 -6.751 -1.906 1.00 1.00 N ATOM 866 CA SER B 19 4.935 -7.235 -3.232 1.00 1.00 C ATOM 867 C SER B 19 4.396 -6.291 -4.302 1.00 1.00 C ATOM 868 O SER B 19 5.068 -6.022 -5.301 1.00 1.00 O ATOM 869 CB SER B 19 4.393 -8.655 -3.441 1.00 1.00 C ATOM 870 OG SER B 19 3.196 -8.873 -2.705 1.00 1.00 O ATOM 0 H SER B 19 3.595 -6.712 -1.714 1.00 1.00 H new ATOM 0 HA SER B 19 6.021 -7.266 -3.319 1.00 1.00 H new ATOM 0 HB2 SER B 19 4.204 -8.820 -4.502 1.00 1.00 H new ATOM 0 HB3 SER B 19 5.146 -9.381 -3.135 1.00 1.00 H new ATOM 0 HG SER B 19 2.737 -8.018 -2.566 1.00 1.00 H new ATOM 876 N SER B 20 3.187 -5.780 -4.084 1.00 1.00 N ATOM 877 CA SER B 20 2.571 -4.863 -5.029 1.00 1.00 C ATOM 878 C SER B 20 3.249 -3.497 -4.953 1.00 1.00 C ATOM 879 O SER B 20 3.490 -2.971 -3.865 1.00 1.00 O ATOM 880 CB SER B 20 1.073 -4.721 -4.739 1.00 1.00 C ATOM 881 OG SER B 20 0.493 -5.973 -4.416 1.00 1.00 O ATOM 0 H SER B 20 2.619 -5.987 -3.263 1.00 1.00 H new ATOM 0 HA SER B 20 2.695 -5.266 -6.034 1.00 1.00 H new ATOM 0 HB2 SER B 20 0.924 -4.024 -3.914 1.00 1.00 H new ATOM 0 HB3 SER B 20 0.570 -4.298 -5.608 1.00 1.00 H new ATOM 0 HG SER B 20 0.116 -5.936 -3.512 1.00 1.00 H new ATOM 887 N PRO B 21 3.580 -2.908 -6.109 1.00 1.00 N ATOM 888 CA PRO B 21 4.230 -1.598 -6.164 1.00 1.00 C ATOM 889 C PRO B 21 3.334 -0.502 -5.595 1.00 1.00 C ATOM 890 O PRO B 21 3.815 0.463 -5.004 1.00 1.00 O ATOM 891 CB PRO B 21 4.477 -1.372 -7.662 1.00 1.00 C ATOM 892 CG PRO B 21 3.527 -2.286 -8.354 1.00 1.00 C ATOM 893 CD PRO B 21 3.360 -3.475 -7.450 1.00 1.00 C ATOM 0 HA PRO B 21 5.144 -1.567 -5.571 1.00 1.00 H new ATOM 0 HB2 PRO B 21 4.297 -0.333 -7.939 1.00 1.00 H new ATOM 0 HB3 PRO B 21 5.509 -1.599 -7.930 1.00 1.00 H new ATOM 0 HG2 PRO B 21 2.571 -1.793 -8.531 1.00 1.00 H new ATOM 0 HG3 PRO B 21 3.915 -2.588 -9.327 1.00 1.00 H new ATOM 0 HD2 PRO B 21 2.368 -3.916 -7.543 1.00 1.00 H new ATOM 0 HD3 PRO B 21 4.081 -4.260 -7.679 1.00 1.00 H new ATOM 901 N SER B 22 2.030 -0.679 -5.759 1.00 1.00 N ATOM 902 CA SER B 22 1.049 0.281 -5.285 1.00 1.00 C ATOM 903 C SER B 22 0.958 0.303 -3.759 1.00 1.00 C ATOM 904 O SER B 22 0.784 1.363 -3.159 1.00 1.00 O ATOM 905 CB SER B 22 -0.308 -0.065 -5.888 1.00 1.00 C ATOM 906 OG SER B 22 -0.155 -1.017 -6.929 1.00 1.00 O ATOM 0 H SER B 22 1.625 -1.492 -6.224 1.00 1.00 H new ATOM 0 HA SER B 22 1.361 1.277 -5.600 1.00 1.00 H new ATOM 0 HB2 SER B 22 -0.966 -0.463 -5.116 1.00 1.00 H new ATOM 0 HB3 SER B 22 -0.782 0.836 -6.277 1.00 1.00 H new ATOM 0 HG SER B 22 -1.033 -1.232 -7.307 1.00 1.00 H new ATOM 912 N THR B 23 1.080 -0.861 -3.131 1.00 1.00 N ATOM 913 CA THR B 23 0.991 -0.947 -1.683 1.00 1.00 C ATOM 914 C THR B 23 2.281 -0.473 -1.026 1.00 1.00 C ATOM 915 O THR B 23 2.249 0.273 -0.045 1.00 1.00 O ATOM 916 CB THR B 23 0.653 -2.377 -1.227 1.00 1.00 C ATOM 917 OG1 THR B 23 1.449 -3.326 -1.943 1.00 1.00 O ATOM 918 CG2 THR B 23 -0.816 -2.671 -1.467 1.00 1.00 C ATOM 0 H THR B 23 1.240 -1.752 -3.601 1.00 1.00 H new ATOM 0 HA THR B 23 0.181 -0.289 -1.367 1.00 1.00 H new ATOM 0 HB THR B 23 0.867 -2.458 -0.161 1.00 1.00 H new ATOM 0 HG1 THR B 23 2.160 -2.857 -2.427 1.00 1.00 H new ATOM 0 HG21 THR B 23 -1.042 -3.686 -1.140 1.00 1.00 H new ATOM 0 HG22 THR B 23 -1.425 -1.964 -0.904 1.00 1.00 H new ATOM 0 HG23 THR B 23 -1.037 -2.574 -2.530 1.00 1.00 H new ATOM 926 N LEU B 24 3.412 -0.889 -1.589 1.00 1.00 N ATOM 927 CA LEU B 24 4.716 -0.499 -1.065 1.00 1.00 C ATOM 928 C LEU B 24 4.927 1.007 -1.209 1.00 1.00 C ATOM 929 O LEU B 24 5.613 1.628 -0.394 1.00 1.00 O ATOM 930 CB LEU B 24 5.829 -1.258 -1.793 1.00 1.00 C ATOM 931 CG LEU B 24 7.232 -1.082 -1.206 1.00 1.00 C ATOM 932 CD1 LEU B 24 7.306 -1.681 0.191 1.00 1.00 C ATOM 933 CD2 LEU B 24 8.274 -1.713 -2.120 1.00 1.00 C ATOM 0 H LEU B 24 3.451 -1.496 -2.408 1.00 1.00 H new ATOM 0 HA LEU B 24 4.749 -0.753 -0.006 1.00 1.00 H new ATOM 0 HB2 LEU B 24 5.583 -2.320 -1.792 1.00 1.00 H new ATOM 0 HB3 LEU B 24 5.845 -0.936 -2.834 1.00 1.00 H new ATOM 0 HG LEU B 24 7.444 -0.016 -1.130 1.00 1.00 H new ATOM 0 HD11 LEU B 24 8.311 -1.546 0.592 1.00 1.00 H new ATOM 0 HD12 LEU B 24 6.586 -1.181 0.840 1.00 1.00 H new ATOM 0 HD13 LEU B 24 7.074 -2.745 0.143 1.00 1.00 H new ATOM 0 HD21 LEU B 24 9.266 -1.579 -1.688 1.00 1.00 H new ATOM 0 HD22 LEU B 24 8.066 -2.778 -2.228 1.00 1.00 H new ATOM 0 HD23 LEU B 24 8.237 -1.235 -3.099 1.00 1.00 H new ATOM 945 N GLU B 25 4.320 1.585 -2.244 1.00 1.00 N ATOM 946 CA GLU B 25 4.428 3.016 -2.510 1.00 1.00 C ATOM 947 C GLU B 25 3.900 3.837 -1.337 1.00 1.00 C ATOM 948 O GLU B 25 4.628 4.642 -0.757 1.00 1.00 O ATOM 949 CB GLU B 25 3.666 3.374 -3.791 1.00 1.00 C ATOM 950 CG GLU B 25 3.530 4.869 -4.037 1.00 1.00 C ATOM 951 CD GLU B 25 2.087 5.290 -4.234 1.00 1.00 C ATOM 952 OE1 GLU B 25 1.220 4.824 -3.470 1.00 1.00 O ATOM 953 OE2 GLU B 25 1.813 6.087 -5.157 1.00 1.00 O ATOM 0 H GLU B 25 3.744 1.078 -2.916 1.00 1.00 H new ATOM 0 HA GLU B 25 5.483 3.256 -2.643 1.00 1.00 H new ATOM 0 HB2 GLU B 25 4.175 2.922 -4.642 1.00 1.00 H new ATOM 0 HB3 GLU B 25 2.670 2.933 -3.744 1.00 1.00 H new ATOM 0 HG2 GLU B 25 3.953 5.414 -3.193 1.00 1.00 H new ATOM 0 HG3 GLU B 25 4.110 5.144 -4.918 1.00 1.00 H new ATOM 960 N ALA B 26 2.640 3.621 -0.983 1.00 1.00 N ATOM 961 CA ALA B 26 2.030 4.357 0.114 1.00 1.00 C ATOM 962 C ALA B 26 2.607 3.929 1.457 1.00 1.00 C ATOM 963 O ALA B 26 2.658 4.729 2.391 1.00 1.00 O ATOM 964 CB ALA B 26 0.528 4.206 0.095 1.00 1.00 C ATOM 0 H ALA B 26 2.024 2.946 -1.437 1.00 1.00 H new ATOM 0 HA ALA B 26 2.264 5.413 -0.023 1.00 1.00 H new ATOM 0 HB1 ALA B 26 0.096 4.765 0.925 1.00 1.00 H new ATOM 0 HB2 ALA B 26 0.135 4.591 -0.846 1.00 1.00 H new ATOM 0 HB3 ALA B 26 0.267 3.152 0.193 1.00 1.00 H new ATOM 970 N HIS B 27 3.002 2.659 1.569 1.00 1.00 N ATOM 971 CA HIS B 27 3.627 2.166 2.799 1.00 1.00 C ATOM 972 C HIS B 27 4.766 3.100 3.197 1.00 1.00 C ATOM 973 O HIS B 27 4.867 3.510 4.353 1.00 1.00 O ATOM 974 CB HIS B 27 4.175 0.731 2.619 1.00 1.00 C ATOM 975 CG HIS B 27 4.910 0.181 3.825 1.00 1.00 C ATOM 976 ND1 HIS B 27 5.835 0.766 4.636 1.00 1.00 N flip ATOM 977 CD2 HIS B 27 4.729 -1.090 4.328 1.00 1.00 C flip ATOM 978 CE1 HIS B 27 6.214 -0.124 5.627 1.00 1.00 C flip ATOM 979 NE2 HIS B 27 5.528 -1.227 5.401 1.00 1.00 N flip ATOM 0 H HIS B 27 2.902 1.960 0.833 1.00 1.00 H new ATOM 0 HA HIS B 27 2.868 2.143 3.581 1.00 1.00 H new ATOM 0 HB2 HIS B 27 3.345 0.066 2.382 1.00 1.00 H new ATOM 0 HB3 HIS B 27 4.849 0.718 1.762 1.00 1.00 H new ATOM 0 HD1 HIS B 27 6.194 1.715 4.530 1.00 1.00 H new ATOM 0 HD2 HIS B 27 4.064 -1.842 3.931 1.00 1.00 H new ATOM 0 HE1 HIS B 27 6.925 0.050 6.421 1.00 1.00 H new ATOM 987 N GLN B 28 5.585 3.462 2.214 1.00 1.00 N ATOM 988 CA GLN B 28 6.747 4.327 2.426 1.00 1.00 C ATOM 989 C GLN B 28 6.353 5.771 2.784 1.00 1.00 C ATOM 990 O GLN B 28 7.165 6.691 2.659 1.00 1.00 O ATOM 991 CB GLN B 28 7.611 4.318 1.158 1.00 1.00 C ATOM 992 CG GLN B 28 9.060 4.718 1.390 1.00 1.00 C ATOM 993 CD GLN B 28 9.621 5.546 0.251 1.00 1.00 C ATOM 994 OE1 GLN B 28 10.241 5.019 -0.674 1.00 1.00 O ATOM 995 NE2 GLN B 28 9.393 6.849 0.307 1.00 1.00 N ATOM 0 H GLN B 28 5.464 3.165 1.246 1.00 1.00 H new ATOM 0 HA GLN B 28 7.306 3.934 3.275 1.00 1.00 H new ATOM 0 HB2 GLN B 28 7.587 3.319 0.722 1.00 1.00 H new ATOM 0 HB3 GLN B 28 7.171 4.996 0.427 1.00 1.00 H new ATOM 0 HG2 GLN B 28 9.133 5.285 2.318 1.00 1.00 H new ATOM 0 HG3 GLN B 28 9.666 3.821 1.516 1.00 1.00 H new ATOM 0 HE21 GLN B 28 8.875 7.243 1.092 1.00 1.00 H new ATOM 0 HE22 GLN B 28 9.736 7.459 -0.435 1.00 1.00 H new ATOM 1004 N ALA B 29 5.129 5.968 3.252 1.00 1.00 N ATOM 1005 CA ALA B 29 4.650 7.291 3.616 1.00 1.00 C ATOM 1006 C ALA B 29 3.632 7.223 4.750 1.00 1.00 C ATOM 1007 O ALA B 29 3.778 7.889 5.774 1.00 1.00 O ATOM 1008 CB ALA B 29 4.025 7.965 2.406 1.00 1.00 C ATOM 0 H ALA B 29 4.447 5.222 3.389 1.00 1.00 H new ATOM 0 HA ALA B 29 5.504 7.874 3.962 1.00 1.00 H new ATOM 0 HB1 ALA B 29 3.668 8.956 2.686 1.00 1.00 H new ATOM 0 HB2 ALA B 29 4.770 8.057 1.616 1.00 1.00 H new ATOM 0 HB3 ALA B 29 3.188 7.366 2.048 1.00 1.00 H new ATOM 1014 N TYR B 30 2.608 6.400 4.562 1.00 1.00 N ATOM 1015 CA TYR B 30 1.539 6.264 5.544 1.00 1.00 C ATOM 1016 C TYR B 30 1.897 5.243 6.618 1.00 1.00 C ATOM 1017 O TYR B 30 1.550 5.410 7.787 1.00 1.00 O ATOM 1018 CB TYR B 30 0.226 5.802 4.885 1.00 1.00 C ATOM 1019 CG TYR B 30 -0.240 6.550 3.639 1.00 1.00 C ATOM 1020 CD1 TYR B 30 0.637 6.938 2.640 1.00 1.00 C ATOM 1021 CD2 TYR B 30 -1.592 6.821 3.450 1.00 1.00 C ATOM 1022 CE1 TYR B 30 0.192 7.569 1.500 1.00 1.00 C ATOM 1023 CE2 TYR B 30 -2.043 7.455 2.312 1.00 1.00 C ATOM 1024 CZ TYR B 30 -1.148 7.828 1.342 1.00 1.00 C ATOM 1025 OH TYR B 30 -1.595 8.454 0.206 1.00 1.00 O ATOM 0 H TYR B 30 2.495 5.814 3.735 1.00 1.00 H new ATOM 0 HA TYR B 30 1.409 7.250 5.991 1.00 1.00 H new ATOM 0 HB2 TYR B 30 0.333 4.749 4.624 1.00 1.00 H new ATOM 0 HB3 TYR B 30 -0.566 5.867 5.632 1.00 1.00 H new ATOM 0 HD1 TYR B 30 1.692 6.741 2.758 1.00 1.00 H new ATOM 0 HD2 TYR B 30 -2.302 6.529 4.210 1.00 1.00 H new ATOM 0 HE1 TYR B 30 0.894 7.859 0.732 1.00 1.00 H new ATOM 0 HE2 TYR B 30 -3.096 7.657 2.185 1.00 1.00 H new ATOM 0 HH TYR B 30 -2.573 8.518 0.231 1.00 1.00 H new ATOM 1035 N TYR B 31 2.576 4.178 6.211 1.00 1.00 N ATOM 1036 CA TYR B 31 2.937 3.106 7.132 1.00 1.00 C ATOM 1037 C TYR B 31 4.188 3.438 7.933 1.00 1.00 C ATOM 1038 O TYR B 31 4.222 3.224 9.148 1.00 1.00 O ATOM 1039 CB TYR B 31 3.141 1.802 6.366 1.00 1.00 C ATOM 1040 CG TYR B 31 2.461 0.610 6.992 1.00 1.00 C ATOM 1041 CD1 TYR B 31 2.736 0.233 8.300 1.00 1.00 C ATOM 1042 CD2 TYR B 31 1.535 -0.137 6.275 1.00 1.00 C ATOM 1043 CE1 TYR B 31 2.110 -0.856 8.873 1.00 1.00 C ATOM 1044 CE2 TYR B 31 0.905 -1.225 6.842 1.00 1.00 C ATOM 1045 CZ TYR B 31 1.194 -1.580 8.140 1.00 1.00 C ATOM 1046 OH TYR B 31 0.561 -2.661 8.710 1.00 1.00 O ATOM 0 H TYR B 31 2.888 4.033 5.251 1.00 1.00 H new ATOM 0 HA TYR B 31 2.114 2.991 7.838 1.00 1.00 H new ATOM 0 HB2 TYR B 31 2.768 1.928 5.349 1.00 1.00 H new ATOM 0 HB3 TYR B 31 4.209 1.600 6.291 1.00 1.00 H new ATOM 0 HD1 TYR B 31 3.451 0.800 8.878 1.00 1.00 H new ATOM 0 HD2 TYR B 31 1.305 0.139 5.257 1.00 1.00 H new ATOM 0 HE1 TYR B 31 2.337 -1.139 9.890 1.00 1.00 H new ATOM 0 HE2 TYR B 31 0.188 -1.796 6.270 1.00 1.00 H new ATOM 0 HH TYR B 31 -0.030 -3.079 8.050 1.00 1.00 H new ATOM 1056 N CYS B 32 5.216 3.938 7.256 1.00 1.00 N ATOM 1057 CA CYS B 32 6.458 4.294 7.922 1.00 1.00 C ATOM 1058 C CYS B 32 6.288 5.572 8.745 1.00 1.00 C ATOM 1059 O CYS B 32 6.782 6.637 8.366 1.00 1.00 O ATOM 1060 CB CYS B 32 7.582 4.473 6.904 1.00 1.00 C ATOM 1061 SG CYS B 32 7.834 3.055 5.783 1.00 1.00 S ATOM 0 H CYS B 32 5.212 4.105 6.250 1.00 1.00 H new ATOM 0 HA CYS B 32 6.722 3.480 8.597 1.00 1.00 H new ATOM 0 HB2 CYS B 32 7.372 5.359 6.305 1.00 1.00 H new ATOM 0 HB3 CYS B 32 8.512 4.664 7.440 1.00 1.00 H new ATOM 0 HG CYS B 32 8.532 2.141 6.389 1.00 1.00 H new ATOM 1066 N SER B 33 5.567 5.444 9.854 1.00 1.00 N ATOM 1067 CA SER B 33 5.306 6.544 10.775 1.00 1.00 C ATOM 1068 C SER B 33 4.536 7.684 10.103 1.00 1.00 C ATOM 1069 O SER B 33 3.304 7.703 10.117 1.00 1.00 O ATOM 1070 CB SER B 33 6.618 7.048 11.372 1.00 1.00 C ATOM 1071 OG SER B 33 7.386 5.965 11.876 1.00 1.00 O ATOM 0 H SER B 33 5.142 4.562 10.142 1.00 1.00 H new ATOM 0 HA SER B 33 4.674 6.166 11.578 1.00 1.00 H new ATOM 0 HB2 SER B 33 7.188 7.583 10.612 1.00 1.00 H new ATOM 0 HB3 SER B 33 6.411 7.758 12.173 1.00 1.00 H new ATOM 0 HG SER B 33 8.224 6.306 12.253 1.00 1.00 H new ATOM 1077 N HIS B 34 5.257 8.630 9.516 1.00 1.00 N ATOM 1078 CA HIS B 34 4.634 9.767 8.856 1.00 1.00 C ATOM 1079 C HIS B 34 5.596 10.397 7.857 1.00 1.00 C ATOM 1080 O HIS B 34 5.891 11.591 7.938 1.00 1.00 O ATOM 1081 CB HIS B 34 4.209 10.812 9.890 1.00 1.00 C ATOM 1082 CG HIS B 34 2.726 10.999 9.995 1.00 1.00 C ATOM 1083 ND1 HIS B 34 2.116 11.480 11.128 1.00 1.00 N ATOM 1084 CD2 HIS B 34 1.733 10.783 9.099 1.00 1.00 C ATOM 1085 CE1 HIS B 34 0.816 11.553 10.931 1.00 1.00 C ATOM 1086 NE2 HIS B 34 0.553 11.137 9.707 1.00 1.00 N ATOM 0 H HIS B 34 6.276 8.631 9.484 1.00 1.00 H new ATOM 0 HA HIS B 34 3.752 9.412 8.322 1.00 1.00 H new ATOM 0 HB2 HIS B 34 4.598 10.521 10.866 1.00 1.00 H new ATOM 0 HB3 HIS B 34 4.668 11.767 9.635 1.00 1.00 H new ATOM 0 HD2 HIS B 34 1.848 10.403 8.094 1.00 1.00 H new ATOM 0 HE1 HIS B 34 0.087 11.896 11.651 1.00 1.00 H new ATOM 0 HE2 HIS B 34 -0.373 11.087 9.282 1.00 1.00 H new