USER MOD reduce.3.24.130724 H: found=0, std=0, add=555, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 556 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 NoAdj-H: B 27 HIS HE2 : B 27 HIS NE2 : B 37 ZNZN :(H bumps) USER MOD Set 1.1: A 231 TYR OH : rot 34:sc= 1.13 USER MOD Set 1.2: A 237 GLN : amide:sc= 1.07 K(o=2.2,f=-0.89) USER MOD Set 2.1: A 220 THR OG1 : rot -75:sc= 1.31 USER MOD Set 2.2: A 232 HIS : +bothHN:sc= -0.311 K(o=1.9,f=-7.4!) USER MOD Set 2.3: A 238 ASN : amide:sc= 0.89 K(o=1.9,f=-1.6!) USER MOD Single : A 206 ASN : amide:sc= -8.04! C(o=-8!,f=-9.8!) USER MOD Single : A 210 THR OG1 : rot -30:sc= 1.54 USER MOD Single : A 212 THR OG1 : rot -98:sc= 1.19 USER MOD Single : A 222 HIS : no HD1:sc= -1.84! C(o=-1.8!,f=-4.7!) USER MOD Single : A 223 TYR OH : rot 180:sc= 0.485 USER MOD Single : A 226 ASN :FLIP amide:sc= -0.102 F(o=-1.4!,f=-0.1) USER MOD Single : A 233 LYS NZ :NH3+ 165:sc= -0.0284 (180deg=-0.358) USER MOD Single : A 234 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 235 ASN : amide:sc= 0 X(o=0,f=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 79:sc= 0.86 USER MOD Single : B 22 SER OG : rot 180:sc= 0.0025 USER MOD Single : B 23 THR OG1 : rot 180:sc= -1.9! USER MOD Single : B 28 GLN : amide:sc= 0.853 K(o=0.85,f=-0.76) USER MOD Single : B 30 TYR OH : rot -121:sc= 1.6 USER MOD Single : B 31 TYR OH : rot 180:sc= 0 USER MOD Single : B 33 SER OG : rot 180:sc= 0 USER MOD Single : B 34 HIS : no HD1:sc= -0.0592 X(o=-0.059,f=-0.01) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 200 -2.600 -13.874 -1.589 1.00 1.00 N ATOM 2 CA GLU A 200 -3.514 -14.519 -2.558 1.00 1.00 C ATOM 3 C GLU A 200 -3.894 -13.548 -3.668 1.00 1.00 C ATOM 4 O GLU A 200 -3.632 -13.801 -4.844 1.00 1.00 O ATOM 5 CB GLU A 200 -4.773 -15.033 -1.849 1.00 1.00 C ATOM 6 CG GLU A 200 -4.590 -16.388 -1.178 1.00 1.00 C ATOM 7 CD GLU A 200 -3.839 -16.310 0.136 1.00 1.00 C ATOM 8 OE1 GLU A 200 -2.719 -15.760 0.162 1.00 1.00 O ATOM 9 OE2 GLU A 200 -4.359 -16.816 1.148 1.00 1.00 O ATOM 0 HA GLU A 200 -2.994 -15.367 -3.004 1.00 1.00 H new ATOM 0 HB2 GLU A 200 -5.079 -14.304 -1.098 1.00 1.00 H new ATOM 0 HB3 GLU A 200 -5.584 -15.103 -2.574 1.00 1.00 H new ATOM 0 HG2 GLU A 200 -5.569 -16.834 -1.003 1.00 1.00 H new ATOM 0 HG3 GLU A 200 -4.054 -17.052 -1.856 1.00 1.00 H new ATOM 16 N ALA A 201 -4.514 -12.435 -3.296 1.00 1.00 N ATOM 17 CA ALA A 201 -4.925 -11.440 -4.275 1.00 1.00 C ATOM 18 C ALA A 201 -3.893 -10.329 -4.399 1.00 1.00 C ATOM 19 O ALA A 201 -3.402 -10.045 -5.490 1.00 1.00 O ATOM 20 CB ALA A 201 -6.283 -10.862 -3.912 1.00 1.00 C ATOM 0 H ALA A 201 -4.742 -12.201 -2.330 1.00 1.00 H new ATOM 0 HA ALA A 201 -5.003 -11.937 -5.242 1.00 1.00 H new ATOM 0 HB1 ALA A 201 -6.573 -10.120 -4.656 1.00 1.00 H new ATOM 0 HB2 ALA A 201 -7.024 -11.661 -3.888 1.00 1.00 H new ATOM 0 HB3 ALA A 201 -6.227 -10.390 -2.931 1.00 1.00 H new ATOM 26 N ARG A 202 -3.563 -9.713 -3.273 1.00 1.00 N ATOM 27 CA ARG A 202 -2.595 -8.628 -3.237 1.00 1.00 C ATOM 28 C ARG A 202 -2.199 -8.359 -1.790 1.00 1.00 C ATOM 29 O ARG A 202 -2.715 -9.005 -0.876 1.00 1.00 O ATOM 30 CB ARG A 202 -3.192 -7.361 -3.872 1.00 1.00 C ATOM 31 CG ARG A 202 -2.152 -6.333 -4.292 1.00 1.00 C ATOM 32 CD ARG A 202 -1.771 -6.467 -5.762 1.00 1.00 C ATOM 33 NE ARG A 202 -1.898 -7.838 -6.261 1.00 1.00 N ATOM 34 CZ ARG A 202 -1.041 -8.408 -7.106 1.00 1.00 C ATOM 35 NH1 ARG A 202 0.090 -7.795 -7.433 1.00 1.00 N ATOM 36 NH2 ARG A 202 -1.300 -9.611 -7.596 1.00 1.00 N ATOM 0 H ARG A 202 -3.957 -9.950 -2.363 1.00 1.00 H new ATOM 0 HA ARG A 202 -1.710 -8.911 -3.807 1.00 1.00 H new ATOM 0 HB2 ARG A 202 -3.780 -7.646 -4.745 1.00 1.00 H new ATOM 0 HB3 ARG A 202 -3.879 -6.900 -3.162 1.00 1.00 H new ATOM 0 HG2 ARG A 202 -2.540 -5.331 -4.109 1.00 1.00 H new ATOM 0 HG3 ARG A 202 -1.261 -6.448 -3.675 1.00 1.00 H new ATOM 0 HD2 ARG A 202 -2.404 -5.809 -6.358 1.00 1.00 H new ATOM 0 HD3 ARG A 202 -0.743 -6.130 -5.898 1.00 1.00 H new ATOM 0 HE ARG A 202 -2.693 -8.391 -5.941 1.00 1.00 H new ATOM 0 HH11 ARG A 202 0.308 -6.881 -7.036 1.00 1.00 H new ATOM 0 HH12 ARG A 202 0.741 -8.238 -8.081 1.00 1.00 H new ATOM 0 HH21 ARG A 202 -2.154 -10.099 -7.326 1.00 1.00 H new ATOM 0 HH22 ARG A 202 -0.645 -10.050 -8.243 1.00 1.00 H new ATOM 50 N GLU A 203 -1.265 -7.446 -1.590 1.00 1.00 N ATOM 51 CA GLU A 203 -0.824 -7.076 -0.257 1.00 1.00 C ATOM 52 C GLU A 203 -1.338 -5.684 0.079 1.00 1.00 C ATOM 53 O GLU A 203 -1.043 -4.731 -0.643 1.00 1.00 O ATOM 54 CB GLU A 203 0.710 -7.096 -0.156 1.00 1.00 C ATOM 55 CG GLU A 203 1.420 -7.723 -1.350 1.00 1.00 C ATOM 56 CD GLU A 203 1.581 -6.763 -2.515 1.00 1.00 C ATOM 57 OE1 GLU A 203 2.543 -5.967 -2.509 1.00 1.00 O ATOM 58 OE2 GLU A 203 0.757 -6.810 -3.450 1.00 1.00 O ATOM 0 H GLU A 203 -0.794 -6.943 -2.342 1.00 1.00 H new ATOM 0 HA GLU A 203 -1.224 -7.802 0.451 1.00 1.00 H new ATOM 0 HB2 GLU A 203 1.066 -6.073 -0.036 1.00 1.00 H new ATOM 0 HB3 GLU A 203 0.994 -7.640 0.745 1.00 1.00 H new ATOM 0 HG2 GLU A 203 2.403 -8.075 -1.038 1.00 1.00 H new ATOM 0 HG3 GLU A 203 0.859 -8.597 -1.681 1.00 1.00 H new ATOM 65 N CYS A 204 -2.129 -5.571 1.148 1.00 1.00 N ATOM 66 CA CYS A 204 -2.659 -4.278 1.563 1.00 1.00 C ATOM 67 C CYS A 204 -1.519 -3.296 1.799 1.00 1.00 C ATOM 68 O CYS A 204 -0.426 -3.683 2.213 1.00 1.00 O ATOM 69 CB CYS A 204 -3.507 -4.408 2.831 1.00 1.00 C ATOM 70 SG CYS A 204 -3.843 -2.819 3.667 1.00 1.00 S ATOM 0 H CYS A 204 -2.413 -6.355 1.736 1.00 1.00 H new ATOM 0 HA CYS A 204 -3.298 -3.903 0.763 1.00 1.00 H new ATOM 0 HB2 CYS A 204 -4.456 -4.879 2.574 1.00 1.00 H new ATOM 0 HB3 CYS A 204 -2.999 -5.074 3.529 1.00 1.00 H new ATOM 75 N VAL A 205 -1.799 -2.027 1.566 1.00 1.00 N ATOM 76 CA VAL A 205 -0.810 -0.970 1.719 1.00 1.00 C ATOM 77 C VAL A 205 -0.309 -0.845 3.156 1.00 1.00 C ATOM 78 O VAL A 205 0.787 -0.347 3.394 1.00 1.00 O ATOM 79 CB VAL A 205 -1.376 0.394 1.267 1.00 1.00 C ATOM 80 CG1 VAL A 205 -1.797 0.342 -0.193 1.00 1.00 C ATOM 81 CG2 VAL A 205 -2.547 0.811 2.145 1.00 1.00 C ATOM 0 H VAL A 205 -2.716 -1.698 1.266 1.00 1.00 H new ATOM 0 HA VAL A 205 0.030 -1.250 1.083 1.00 1.00 H new ATOM 0 HB VAL A 205 -0.588 1.140 1.372 1.00 1.00 H new ATOM 0 HG11 VAL A 205 -2.193 1.312 -0.492 1.00 1.00 H new ATOM 0 HG12 VAL A 205 -0.934 0.096 -0.812 1.00 1.00 H new ATOM 0 HG13 VAL A 205 -2.566 -0.419 -0.323 1.00 1.00 H new ATOM 0 HG21 VAL A 205 -2.929 1.774 1.808 1.00 1.00 H new ATOM 0 HG22 VAL A 205 -3.337 0.063 2.077 1.00 1.00 H new ATOM 0 HG23 VAL A 205 -2.214 0.894 3.180 1.00 1.00 H new ATOM 91 N ASN A 206 -1.095 -1.301 4.117 1.00 1.00 N ATOM 92 CA ASN A 206 -0.692 -1.186 5.513 1.00 1.00 C ATOM 93 C ASN A 206 -0.878 -2.487 6.273 1.00 1.00 C ATOM 94 O ASN A 206 -0.070 -2.827 7.139 1.00 1.00 O ATOM 95 CB ASN A 206 -1.462 -0.055 6.194 1.00 1.00 C ATOM 96 CG ASN A 206 -0.778 1.283 6.001 1.00 1.00 C ATOM 97 OD1 ASN A 206 0.116 1.644 6.758 1.00 1.00 O ATOM 98 ND2 ASN A 206 -1.190 2.031 4.986 1.00 1.00 N ATOM 0 H ASN A 206 -2.000 -1.747 3.964 1.00 1.00 H new ATOM 0 HA ASN A 206 0.373 -0.955 5.527 1.00 1.00 H new ATOM 0 HB2 ASN A 206 -2.473 -0.008 5.790 1.00 1.00 H new ATOM 0 HB3 ASN A 206 -1.554 -0.267 7.259 1.00 1.00 H new ATOM 0 HD21 ASN A 206 -0.760 2.940 4.815 1.00 1.00 H new ATOM 0 HD22 ASN A 206 -1.937 1.697 4.377 1.00 1.00 H new ATOM 105 N CYS A 207 -1.927 -3.219 5.950 1.00 1.00 N ATOM 106 CA CYS A 207 -2.196 -4.472 6.621 1.00 1.00 C ATOM 107 C CYS A 207 -1.374 -5.597 6.005 1.00 1.00 C ATOM 108 O CYS A 207 -0.920 -6.502 6.706 1.00 1.00 O ATOM 109 CB CYS A 207 -3.689 -4.794 6.538 1.00 1.00 C ATOM 110 SG CYS A 207 -4.774 -3.400 6.992 1.00 1.00 S ATOM 0 H CYS A 207 -2.604 -2.967 5.229 1.00 1.00 H new ATOM 0 HA CYS A 207 -1.911 -4.378 7.669 1.00 1.00 H new ATOM 0 HB2 CYS A 207 -3.926 -5.110 5.522 1.00 1.00 H new ATOM 0 HB3 CYS A 207 -3.905 -5.638 7.193 1.00 1.00 H new ATOM 115 N GLY A 208 -1.184 -5.522 4.692 1.00 1.00 N ATOM 116 CA GLY A 208 -0.435 -6.540 3.979 1.00 1.00 C ATOM 117 C GLY A 208 -1.147 -7.872 4.022 1.00 1.00 C ATOM 118 O GLY A 208 -0.533 -8.930 3.872 1.00 1.00 O ATOM 0 H GLY A 208 -1.539 -4.767 4.105 1.00 1.00 H new ATOM 0 HA2 GLY A 208 -0.294 -6.233 2.943 1.00 1.00 H new ATOM 0 HA3 GLY A 208 0.557 -6.640 4.419 1.00 1.00 H new ATOM 122 N ALA A 209 -2.453 -7.801 4.227 1.00 1.00 N ATOM 123 CA ALA A 209 -3.292 -8.978 4.302 1.00 1.00 C ATOM 124 C ALA A 209 -3.928 -9.263 2.953 1.00 1.00 C ATOM 125 O ALA A 209 -3.857 -8.442 2.044 1.00 1.00 O ATOM 126 CB ALA A 209 -4.364 -8.781 5.360 1.00 1.00 C ATOM 0 H ALA A 209 -2.958 -6.923 4.346 1.00 1.00 H new ATOM 0 HA ALA A 209 -2.675 -9.833 4.578 1.00 1.00 H new ATOM 0 HB1 ALA A 209 -4.992 -9.670 5.412 1.00 1.00 H new ATOM 0 HB2 ALA A 209 -3.893 -8.613 6.328 1.00 1.00 H new ATOM 0 HB3 ALA A 209 -4.977 -7.918 5.100 1.00 1.00 H new ATOM 132 N THR A 210 -4.546 -10.426 2.830 1.00 1.00 N ATOM 133 CA THR A 210 -5.197 -10.820 1.593 1.00 1.00 C ATOM 134 C THR A 210 -6.445 -11.655 1.889 1.00 1.00 C ATOM 135 O THR A 210 -7.057 -12.226 0.985 1.00 1.00 O ATOM 136 CB THR A 210 -4.223 -11.618 0.699 1.00 1.00 C ATOM 137 OG1 THR A 210 -4.865 -12.017 -0.522 1.00 1.00 O ATOM 138 CG2 THR A 210 -3.703 -12.846 1.435 1.00 1.00 C ATOM 0 H THR A 210 -4.610 -11.117 3.577 1.00 1.00 H new ATOM 0 HA THR A 210 -5.498 -9.917 1.061 1.00 1.00 H new ATOM 0 HB THR A 210 -3.381 -10.969 0.457 1.00 1.00 H new ATOM 0 HG1 THR A 210 -5.823 -12.143 -0.361 1.00 1.00 H new ATOM 0 HG21 THR A 210 -3.018 -13.395 0.788 1.00 1.00 H new ATOM 0 HG22 THR A 210 -3.178 -12.534 2.338 1.00 1.00 H new ATOM 0 HG23 THR A 210 -4.540 -13.489 1.706 1.00 1.00 H new ATOM 146 N ALA A 211 -6.824 -11.694 3.161 1.00 1.00 N ATOM 147 CA ALA A 211 -7.983 -12.462 3.606 1.00 1.00 C ATOM 148 C ALA A 211 -9.299 -11.777 3.255 1.00 1.00 C ATOM 149 O ALA A 211 -10.364 -12.381 3.355 1.00 1.00 O ATOM 150 CB ALA A 211 -7.906 -12.699 5.106 1.00 1.00 C ATOM 0 H ALA A 211 -6.341 -11.198 3.910 1.00 1.00 H new ATOM 0 HA ALA A 211 -7.961 -13.417 3.080 1.00 1.00 H new ATOM 0 HB1 ALA A 211 -8.775 -13.273 5.429 1.00 1.00 H new ATOM 0 HB2 ALA A 211 -6.997 -13.254 5.341 1.00 1.00 H new ATOM 0 HB3 ALA A 211 -7.890 -11.741 5.625 1.00 1.00 H new ATOM 156 N THR A 212 -9.233 -10.517 2.854 1.00 1.00 N ATOM 157 CA THR A 212 -10.438 -9.786 2.497 1.00 1.00 C ATOM 158 C THR A 212 -10.967 -10.261 1.139 1.00 1.00 C ATOM 159 O THR A 212 -10.220 -10.334 0.162 1.00 1.00 O ATOM 160 CB THR A 212 -10.198 -8.255 2.482 1.00 1.00 C ATOM 161 OG1 THR A 212 -11.380 -7.566 2.044 1.00 1.00 O ATOM 162 CG2 THR A 212 -9.028 -7.884 1.582 1.00 1.00 C ATOM 0 H THR A 212 -8.368 -9.984 2.768 1.00 1.00 H new ATOM 0 HA THR A 212 -11.188 -9.992 3.261 1.00 1.00 H new ATOM 0 HB THR A 212 -9.958 -7.951 3.501 1.00 1.00 H new ATOM 0 HG1 THR A 212 -11.298 -7.348 1.092 1.00 1.00 H new ATOM 0 HG21 THR A 212 -8.888 -6.803 1.595 1.00 1.00 H new ATOM 0 HG22 THR A 212 -8.122 -8.372 1.943 1.00 1.00 H new ATOM 0 HG23 THR A 212 -9.235 -8.211 0.563 1.00 1.00 H new ATOM 170 N PRO A 213 -12.264 -10.615 1.071 1.00 1.00 N ATOM 171 CA PRO A 213 -12.893 -11.095 -0.164 1.00 1.00 C ATOM 172 C PRO A 213 -13.180 -9.963 -1.149 1.00 1.00 C ATOM 173 O PRO A 213 -13.522 -10.201 -2.310 1.00 1.00 O ATOM 174 CB PRO A 213 -14.196 -11.724 0.331 1.00 1.00 C ATOM 175 CG PRO A 213 -14.532 -10.970 1.571 1.00 1.00 C ATOM 176 CD PRO A 213 -13.217 -10.581 2.198 1.00 1.00 C ATOM 0 HA PRO A 213 -12.251 -11.785 -0.711 1.00 1.00 H new ATOM 0 HB2 PRO A 213 -14.987 -11.634 -0.414 1.00 1.00 H new ATOM 0 HB3 PRO A 213 -14.070 -12.787 0.536 1.00 1.00 H new ATOM 0 HG2 PRO A 213 -15.129 -10.088 1.340 1.00 1.00 H new ATOM 0 HG3 PRO A 213 -15.121 -11.584 2.252 1.00 1.00 H new ATOM 0 HD2 PRO A 213 -13.267 -9.590 2.649 1.00 1.00 H new ATOM 0 HD3 PRO A 213 -12.929 -11.276 2.986 1.00 1.00 H new ATOM 184 N LEU A 214 -13.044 -8.737 -0.675 1.00 1.00 N ATOM 185 CA LEU A 214 -13.277 -7.569 -1.502 1.00 1.00 C ATOM 186 C LEU A 214 -12.065 -6.652 -1.455 1.00 1.00 C ATOM 187 O LEU A 214 -11.518 -6.391 -0.385 1.00 1.00 O ATOM 188 CB LEU A 214 -14.523 -6.817 -1.028 1.00 1.00 C ATOM 189 CG LEU A 214 -14.849 -5.542 -1.807 1.00 1.00 C ATOM 190 CD1 LEU A 214 -15.402 -5.878 -3.182 1.00 1.00 C ATOM 191 CD2 LEU A 214 -15.833 -4.684 -1.034 1.00 1.00 C ATOM 0 H LEU A 214 -12.772 -8.525 0.285 1.00 1.00 H new ATOM 0 HA LEU A 214 -13.439 -7.895 -2.529 1.00 1.00 H new ATOM 0 HB2 LEU A 214 -15.379 -7.489 -1.088 1.00 1.00 H new ATOM 0 HB3 LEU A 214 -14.394 -6.559 0.023 1.00 1.00 H new ATOM 0 HG LEU A 214 -13.926 -4.977 -1.939 1.00 1.00 H new ATOM 0 HD11 LEU A 214 -15.627 -4.956 -3.719 1.00 1.00 H new ATOM 0 HD12 LEU A 214 -14.663 -6.452 -3.741 1.00 1.00 H new ATOM 0 HD13 LEU A 214 -16.313 -6.467 -3.074 1.00 1.00 H new ATOM 0 HD21 LEU A 214 -16.054 -3.781 -1.603 1.00 1.00 H new ATOM 0 HD22 LEU A 214 -16.754 -5.244 -0.870 1.00 1.00 H new ATOM 0 HD23 LEU A 214 -15.399 -4.410 -0.072 1.00 1.00 H new ATOM 203 N TRP A 215 -11.646 -6.173 -2.615 1.00 1.00 N ATOM 204 CA TRP A 215 -10.498 -5.283 -2.703 1.00 1.00 C ATOM 205 C TRP A 215 -10.911 -3.945 -3.290 1.00 1.00 C ATOM 206 O TRP A 215 -11.456 -3.880 -4.395 1.00 1.00 O ATOM 207 CB TRP A 215 -9.386 -5.916 -3.538 1.00 1.00 C ATOM 208 CG TRP A 215 -8.651 -6.985 -2.798 1.00 1.00 C ATOM 209 CD1 TRP A 215 -8.988 -8.304 -2.714 1.00 1.00 C ATOM 210 CD2 TRP A 215 -7.461 -6.822 -2.022 1.00 1.00 C ATOM 211 NE1 TRP A 215 -8.079 -8.973 -1.934 1.00 1.00 N ATOM 212 CE2 TRP A 215 -7.130 -8.083 -1.498 1.00 1.00 C ATOM 213 CE3 TRP A 215 -6.647 -5.729 -1.721 1.00 1.00 C ATOM 214 CZ2 TRP A 215 -6.013 -8.283 -0.693 1.00 1.00 C ATOM 215 CZ3 TRP A 215 -5.539 -5.929 -0.921 1.00 1.00 C ATOM 216 CH2 TRP A 215 -5.232 -7.195 -0.415 1.00 1.00 C ATOM 0 H TRP A 215 -12.084 -6.386 -3.511 1.00 1.00 H new ATOM 0 HA TRP A 215 -10.114 -5.116 -1.697 1.00 1.00 H new ATOM 0 HB2 TRP A 215 -9.814 -6.337 -4.447 1.00 1.00 H new ATOM 0 HB3 TRP A 215 -8.682 -5.143 -3.846 1.00 1.00 H new ATOM 0 HD1 TRP A 215 -9.845 -8.756 -3.192 1.00 1.00 H new ATOM 0 HE1 TRP A 215 -8.104 -9.969 -1.714 1.00 1.00 H new ATOM 0 HE3 TRP A 215 -6.879 -4.747 -2.106 1.00 1.00 H new ATOM 0 HZ2 TRP A 215 -5.772 -9.261 -0.302 1.00 1.00 H new ATOM 0 HZ3 TRP A 215 -4.899 -5.093 -0.682 1.00 1.00 H new ATOM 0 HH2 TRP A 215 -4.359 -7.317 0.209 1.00 1.00 H new ATOM 227 N ARG A 216 -10.654 -2.884 -2.544 1.00 1.00 N ATOM 228 CA ARG A 216 -11.002 -1.542 -2.977 1.00 1.00 C ATOM 229 C ARG A 216 -9.816 -0.881 -3.669 1.00 1.00 C ATOM 230 O ARG A 216 -8.841 -0.505 -3.024 1.00 1.00 O ATOM 231 CB ARG A 216 -11.462 -0.697 -1.783 1.00 1.00 C ATOM 232 CG ARG A 216 -11.623 0.782 -2.102 1.00 1.00 C ATOM 233 CD ARG A 216 -12.728 1.021 -3.121 1.00 1.00 C ATOM 234 NE ARG A 216 -12.433 2.160 -3.994 1.00 1.00 N ATOM 235 CZ ARG A 216 -13.137 3.295 -4.011 1.00 1.00 C ATOM 236 NH1 ARG A 216 -14.191 3.442 -3.219 1.00 1.00 N ATOM 237 NH2 ARG A 216 -12.787 4.281 -4.827 1.00 1.00 N ATOM 0 H ARG A 216 -10.203 -2.927 -1.630 1.00 1.00 H new ATOM 0 HA ARG A 216 -11.824 -1.612 -3.690 1.00 1.00 H new ATOM 0 HB2 ARG A 216 -12.413 -1.086 -1.420 1.00 1.00 H new ATOM 0 HB3 ARG A 216 -10.742 -0.808 -0.973 1.00 1.00 H new ATOM 0 HG2 ARG A 216 -11.848 1.329 -1.187 1.00 1.00 H new ATOM 0 HG3 ARG A 216 -10.682 1.176 -2.486 1.00 1.00 H new ATOM 0 HD2 ARG A 216 -12.862 0.125 -3.727 1.00 1.00 H new ATOM 0 HD3 ARG A 216 -13.669 1.198 -2.600 1.00 1.00 H new ATOM 0 HE ARG A 216 -11.639 2.081 -4.630 1.00 1.00 H new ATOM 0 HH11 ARG A 216 -14.468 2.686 -2.593 1.00 1.00 H new ATOM 0 HH12 ARG A 216 -14.725 4.311 -3.236 1.00 1.00 H new ATOM 0 HH21 ARG A 216 -11.980 4.172 -5.442 1.00 1.00 H new ATOM 0 HH22 ARG A 216 -13.325 5.148 -4.840 1.00 1.00 H new ATOM 251 N ARG A 217 -9.901 -0.754 -4.983 1.00 1.00 N ATOM 252 CA ARG A 217 -8.839 -0.128 -5.755 1.00 1.00 C ATOM 253 C ARG A 217 -9.250 1.286 -6.144 1.00 1.00 C ATOM 254 O ARG A 217 -10.392 1.692 -5.912 1.00 1.00 O ATOM 255 CB ARG A 217 -8.514 -0.955 -7.007 1.00 1.00 C ATOM 256 CG ARG A 217 -9.640 -0.993 -8.026 1.00 1.00 C ATOM 257 CD ARG A 217 -9.200 -0.412 -9.362 1.00 1.00 C ATOM 258 NE ARG A 217 -8.147 -1.209 -9.994 1.00 1.00 N ATOM 259 CZ ARG A 217 -7.036 -0.701 -10.535 1.00 1.00 C ATOM 260 NH1 ARG A 217 -6.824 0.608 -10.533 1.00 1.00 N ATOM 261 NH2 ARG A 217 -6.137 -1.507 -11.080 1.00 1.00 N ATOM 0 H ARG A 217 -10.694 -1.076 -5.538 1.00 1.00 H new ATOM 0 HA ARG A 217 -7.941 -0.082 -5.139 1.00 1.00 H new ATOM 0 HB2 ARG A 217 -7.622 -0.545 -7.480 1.00 1.00 H new ATOM 0 HB3 ARG A 217 -8.275 -1.975 -6.705 1.00 1.00 H new ATOM 0 HG2 ARG A 217 -9.971 -2.022 -8.166 1.00 1.00 H new ATOM 0 HG3 ARG A 217 -10.494 -0.432 -7.647 1.00 1.00 H new ATOM 0 HD2 ARG A 217 -10.059 -0.353 -10.031 1.00 1.00 H new ATOM 0 HD3 ARG A 217 -8.842 0.607 -9.213 1.00 1.00 H new ATOM 0 HE ARG A 217 -8.270 -2.221 -10.023 1.00 1.00 H new ATOM 0 HH11 ARG A 217 -7.512 1.235 -10.116 1.00 1.00 H new ATOM 0 HH12 ARG A 217 -5.973 0.987 -10.948 1.00 1.00 H new ATOM 0 HH21 ARG A 217 -6.293 -2.515 -11.087 1.00 1.00 H new ATOM 0 HH22 ARG A 217 -5.289 -1.120 -11.493 1.00 1.00 H new ATOM 275 N ASP A 218 -8.320 2.034 -6.712 1.00 1.00 N ATOM 276 CA ASP A 218 -8.592 3.398 -7.145 1.00 1.00 C ATOM 277 C ASP A 218 -8.324 3.528 -8.643 1.00 1.00 C ATOM 278 O ASP A 218 -8.338 2.530 -9.362 1.00 1.00 O ATOM 279 CB ASP A 218 -7.739 4.390 -6.349 1.00 1.00 C ATOM 280 CG ASP A 218 -6.324 4.501 -6.873 1.00 1.00 C ATOM 281 OD1 ASP A 218 -5.628 3.472 -6.941 1.00 1.00 O ATOM 282 OD2 ASP A 218 -5.913 5.617 -7.249 1.00 1.00 O ATOM 0 H ASP A 218 -7.365 1.720 -6.886 1.00 1.00 H new ATOM 0 HA ASP A 218 -9.640 3.630 -6.958 1.00 1.00 H new ATOM 0 HB2 ASP A 218 -8.210 5.372 -6.379 1.00 1.00 H new ATOM 0 HB3 ASP A 218 -7.711 4.081 -5.304 1.00 1.00 H new ATOM 287 N ARG A 219 -8.073 4.743 -9.112 1.00 1.00 N ATOM 288 CA ARG A 219 -7.813 4.972 -10.523 1.00 1.00 C ATOM 289 C ARG A 219 -6.362 4.638 -10.892 1.00 1.00 C ATOM 290 O ARG A 219 -6.087 4.223 -12.018 1.00 1.00 O ATOM 291 CB ARG A 219 -8.138 6.425 -10.887 1.00 1.00 C ATOM 292 CG ARG A 219 -8.419 6.646 -12.366 1.00 1.00 C ATOM 293 CD ARG A 219 -9.478 5.686 -12.889 1.00 1.00 C ATOM 294 NE ARG A 219 -8.890 4.446 -13.399 1.00 1.00 N ATOM 295 CZ ARG A 219 -9.478 3.250 -13.325 1.00 1.00 C ATOM 296 NH1 ARG A 219 -10.687 3.125 -12.790 1.00 1.00 N ATOM 297 NH2 ARG A 219 -8.860 2.173 -13.793 1.00 1.00 N ATOM 0 H ARG A 219 -8.044 5.583 -8.535 1.00 1.00 H new ATOM 0 HA ARG A 219 -8.458 4.306 -11.096 1.00 1.00 H new ATOM 0 HB2 ARG A 219 -9.005 6.747 -10.311 1.00 1.00 H new ATOM 0 HB3 ARG A 219 -7.303 7.059 -10.588 1.00 1.00 H new ATOM 0 HG2 ARG A 219 -8.749 7.673 -12.524 1.00 1.00 H new ATOM 0 HG3 ARG A 219 -7.498 6.516 -12.934 1.00 1.00 H new ATOM 0 HD2 ARG A 219 -10.181 5.452 -12.090 1.00 1.00 H new ATOM 0 HD3 ARG A 219 -10.047 6.171 -13.683 1.00 1.00 H new ATOM 0 HE ARG A 219 -7.972 4.500 -13.839 1.00 1.00 H new ATOM 0 HH11 ARG A 219 -11.174 3.947 -12.432 1.00 1.00 H new ATOM 0 HH12 ARG A 219 -11.129 2.207 -12.737 1.00 1.00 H new ATOM 0 HH21 ARG A 219 -7.933 2.258 -14.211 1.00 1.00 H new ATOM 0 HH22 ARG A 219 -9.312 1.260 -13.735 1.00 1.00 H new ATOM 311 N THR A 220 -5.440 4.804 -9.945 1.00 1.00 N ATOM 312 CA THR A 220 -4.030 4.520 -10.208 1.00 1.00 C ATOM 313 C THR A 220 -3.725 3.029 -10.085 1.00 1.00 C ATOM 314 O THR A 220 -3.256 2.404 -11.038 1.00 1.00 O ATOM 315 CB THR A 220 -3.086 5.321 -9.279 1.00 1.00 C ATOM 316 OG1 THR A 220 -3.421 5.122 -7.897 1.00 1.00 O ATOM 317 CG2 THR A 220 -3.141 6.803 -9.612 1.00 1.00 C ATOM 0 H THR A 220 -5.640 5.130 -8.999 1.00 1.00 H new ATOM 0 HA THR A 220 -3.845 4.836 -11.235 1.00 1.00 H new ATOM 0 HB THR A 220 -2.073 4.954 -9.444 1.00 1.00 H new ATOM 0 HG1 THR A 220 -4.230 5.631 -7.680 1.00 1.00 H new ATOM 0 HG21 THR A 220 -2.471 7.350 -8.949 1.00 1.00 H new ATOM 0 HG22 THR A 220 -2.832 6.955 -10.646 1.00 1.00 H new ATOM 0 HG23 THR A 220 -4.160 7.168 -9.480 1.00 1.00 H new ATOM 325 N GLY A 221 -4.006 2.457 -8.921 1.00 1.00 N ATOM 326 CA GLY A 221 -3.745 1.047 -8.709 1.00 1.00 C ATOM 327 C GLY A 221 -3.479 0.718 -7.253 1.00 1.00 C ATOM 328 O GLY A 221 -2.701 -0.187 -6.944 1.00 1.00 O ATOM 0 H GLY A 221 -4.410 2.944 -8.121 1.00 1.00 H new ATOM 0 HA2 GLY A 221 -4.598 0.466 -9.059 1.00 1.00 H new ATOM 0 HA3 GLY A 221 -2.886 0.746 -9.309 1.00 1.00 H new ATOM 332 N HIS A 222 -4.113 1.455 -6.355 1.00 1.00 N ATOM 333 CA HIS A 222 -3.952 1.235 -4.927 1.00 1.00 C ATOM 334 C HIS A 222 -4.980 0.232 -4.431 1.00 1.00 C ATOM 335 O HIS A 222 -6.125 0.586 -4.156 1.00 1.00 O ATOM 336 CB HIS A 222 -4.091 2.553 -4.158 1.00 1.00 C ATOM 337 CG HIS A 222 -2.788 3.258 -3.933 1.00 1.00 C ATOM 338 ND1 HIS A 222 -2.488 3.927 -2.771 1.00 1.00 N ATOM 339 CD2 HIS A 222 -1.697 3.383 -4.725 1.00 1.00 C ATOM 340 CE1 HIS A 222 -1.273 4.426 -2.854 1.00 1.00 C ATOM 341 NE2 HIS A 222 -0.767 4.116 -4.028 1.00 1.00 N ATOM 0 H HIS A 222 -4.749 2.216 -6.593 1.00 1.00 H new ATOM 0 HA HIS A 222 -2.953 0.835 -4.752 1.00 1.00 H new ATOM 0 HB2 HIS A 222 -4.762 3.214 -4.706 1.00 1.00 H new ATOM 0 HB3 HIS A 222 -4.558 2.353 -3.193 1.00 1.00 H new ATOM 0 HD2 HIS A 222 -1.579 2.981 -5.720 1.00 1.00 H new ATOM 0 HE1 HIS A 222 -0.774 4.996 -2.085 1.00 1.00 H new ATOM 0 HE2 HIS A 222 0.160 4.376 -4.364 1.00 1.00 H new ATOM 350 N TYR A 223 -4.575 -1.023 -4.356 1.00 1.00 N ATOM 351 CA TYR A 223 -5.454 -2.079 -3.884 1.00 1.00 C ATOM 352 C TYR A 223 -5.487 -2.082 -2.365 1.00 1.00 C ATOM 353 O TYR A 223 -4.517 -2.461 -1.711 1.00 1.00 O ATOM 354 CB TYR A 223 -4.997 -3.440 -4.413 1.00 1.00 C ATOM 355 CG TYR A 223 -5.220 -3.620 -5.899 1.00 1.00 C ATOM 356 CD1 TYR A 223 -4.293 -3.152 -6.821 1.00 1.00 C ATOM 357 CD2 TYR A 223 -6.357 -4.257 -6.379 1.00 1.00 C ATOM 358 CE1 TYR A 223 -4.492 -3.311 -8.177 1.00 1.00 C ATOM 359 CE2 TYR A 223 -6.565 -4.421 -7.735 1.00 1.00 C ATOM 360 CZ TYR A 223 -5.629 -3.946 -8.629 1.00 1.00 C ATOM 361 OH TYR A 223 -5.829 -4.108 -9.981 1.00 1.00 O ATOM 0 H TYR A 223 -3.640 -1.337 -4.617 1.00 1.00 H new ATOM 0 HA TYR A 223 -6.460 -1.891 -4.259 1.00 1.00 H new ATOM 0 HB2 TYR A 223 -3.937 -3.567 -4.195 1.00 1.00 H new ATOM 0 HB3 TYR A 223 -5.529 -4.226 -3.877 1.00 1.00 H new ATOM 0 HD1 TYR A 223 -3.401 -2.655 -6.470 1.00 1.00 H new ATOM 0 HD2 TYR A 223 -7.091 -4.631 -5.680 1.00 1.00 H new ATOM 0 HE1 TYR A 223 -3.761 -2.940 -8.880 1.00 1.00 H new ATOM 0 HE2 TYR A 223 -7.455 -4.918 -8.092 1.00 1.00 H new ATOM 0 HH TYR A 223 -6.677 -4.575 -10.133 1.00 1.00 H new ATOM 371 N LEU A 224 -6.597 -1.629 -1.815 1.00 1.00 N ATOM 372 CA LEU A 224 -6.769 -1.569 -0.376 1.00 1.00 C ATOM 373 C LEU A 224 -7.744 -2.640 0.078 1.00 1.00 C ATOM 374 O LEU A 224 -8.523 -3.156 -0.727 1.00 1.00 O ATOM 375 CB LEU A 224 -7.277 -0.186 0.030 1.00 1.00 C ATOM 376 CG LEU A 224 -6.592 0.983 -0.686 1.00 1.00 C ATOM 377 CD1 LEU A 224 -7.450 2.228 -0.610 1.00 1.00 C ATOM 378 CD2 LEU A 224 -5.220 1.252 -0.090 1.00 1.00 C ATOM 0 H LEU A 224 -7.400 -1.294 -2.348 1.00 1.00 H new ATOM 0 HA LEU A 224 -5.807 -1.747 0.104 1.00 1.00 H new ATOM 0 HB2 LEU A 224 -8.348 -0.136 -0.164 1.00 1.00 H new ATOM 0 HB3 LEU A 224 -7.142 -0.065 1.105 1.00 1.00 H new ATOM 0 HG LEU A 224 -6.464 0.711 -1.734 1.00 1.00 H new ATOM 0 HD11 LEU A 224 -6.948 3.048 -1.124 1.00 1.00 H new ATOM 0 HD12 LEU A 224 -8.412 2.037 -1.086 1.00 1.00 H new ATOM 0 HD13 LEU A 224 -7.609 2.497 0.434 1.00 1.00 H new ATOM 0 HD21 LEU A 224 -4.753 2.086 -0.614 1.00 1.00 H new ATOM 0 HD22 LEU A 224 -5.324 1.500 0.966 1.00 1.00 H new ATOM 0 HD23 LEU A 224 -4.597 0.363 -0.194 1.00 1.00 H new ATOM 390 N CYS A 225 -7.703 -2.961 1.363 1.00 1.00 N ATOM 391 CA CYS A 225 -8.577 -3.973 1.933 1.00 1.00 C ATOM 392 C CYS A 225 -10.024 -3.486 1.960 1.00 1.00 C ATOM 393 O CYS A 225 -10.781 -3.634 0.998 1.00 1.00 O ATOM 394 CB CYS A 225 -8.114 -4.303 3.358 1.00 1.00 C ATOM 395 SG CYS A 225 -7.813 -2.830 4.399 1.00 1.00 S ATOM 0 H CYS A 225 -7.068 -2.530 2.035 1.00 1.00 H new ATOM 0 HA CYS A 225 -8.527 -4.868 1.313 1.00 1.00 H new ATOM 0 HB2 CYS A 225 -8.867 -4.928 3.839 1.00 1.00 H new ATOM 0 HB3 CYS A 225 -7.198 -4.892 3.305 1.00 1.00 H new ATOM 400 N ASN A 226 -10.380 -2.887 3.077 1.00 1.00 N ATOM 401 CA ASN A 226 -11.711 -2.351 3.300 1.00 1.00 C ATOM 402 C ASN A 226 -11.610 -1.184 4.263 1.00 1.00 C ATOM 403 O ASN A 226 -12.184 -0.121 4.033 1.00 1.00 O ATOM 404 CB ASN A 226 -12.647 -3.426 3.867 1.00 1.00 C ATOM 405 CG ASN A 226 -13.755 -3.822 2.904 1.00 1.00 C ATOM 406 OD1 ASN A 226 -13.437 -3.909 1.623 1.00 1.00 O flip ATOM 407 ND2 ASN A 226 -14.886 -4.077 3.314 1.00 1.00 N flip ATOM 0 H ASN A 226 -9.747 -2.756 3.866 1.00 1.00 H new ATOM 0 HA ASN A 226 -12.127 -2.016 2.350 1.00 1.00 H new ATOM 0 HB2 ASN A 226 -12.063 -4.310 4.122 1.00 1.00 H new ATOM 0 HB3 ASN A 226 -13.092 -3.060 4.792 1.00 1.00 H new ATOM 0 HD21 ASN A 226 -15.097 -4.000 4.309 1.00 1.00 H new ATOM 0 HD22 ASN A 226 -15.613 -4.366 2.659 1.00 1.00 H new ATOM 414 N ALA A 227 -10.836 -1.382 5.326 1.00 1.00 N ATOM 415 CA ALA A 227 -10.635 -0.353 6.331 1.00 1.00 C ATOM 416 C ALA A 227 -9.713 0.731 5.795 1.00 1.00 C ATOM 417 O ALA A 227 -9.975 1.924 5.962 1.00 1.00 O ATOM 418 CB ALA A 227 -10.073 -0.961 7.605 1.00 1.00 C ATOM 0 H ALA A 227 -10.337 -2.252 5.511 1.00 1.00 H new ATOM 0 HA ALA A 227 -11.597 0.102 6.568 1.00 1.00 H new ATOM 0 HB1 ALA A 227 -9.928 -0.178 8.349 1.00 1.00 H new ATOM 0 HB2 ALA A 227 -10.770 -1.704 7.992 1.00 1.00 H new ATOM 0 HB3 ALA A 227 -9.117 -1.438 7.389 1.00 1.00 H new ATOM 424 N CYS A 228 -8.636 0.314 5.138 1.00 1.00 N ATOM 425 CA CYS A 228 -7.692 1.252 4.557 1.00 1.00 C ATOM 426 C CYS A 228 -8.328 1.936 3.349 1.00 1.00 C ATOM 427 O CYS A 228 -7.962 3.052 2.980 1.00 1.00 O ATOM 428 CB CYS A 228 -6.407 0.526 4.161 1.00 1.00 C ATOM 429 SG CYS A 228 -5.637 -0.411 5.524 1.00 1.00 S ATOM 0 H CYS A 228 -8.398 -0.668 4.996 1.00 1.00 H new ATOM 0 HA CYS A 228 -7.436 2.014 5.293 1.00 1.00 H new ATOM 0 HB2 CYS A 228 -6.626 -0.158 3.341 1.00 1.00 H new ATOM 0 HB3 CYS A 228 -5.690 1.256 3.785 1.00 1.00 H new ATOM 434 N GLY A 229 -9.311 1.260 2.760 1.00 1.00 N ATOM 435 CA GLY A 229 -10.010 1.797 1.607 1.00 1.00 C ATOM 436 C GLY A 229 -10.807 3.042 1.945 1.00 1.00 C ATOM 437 O GLY A 229 -11.038 3.893 1.084 1.00 1.00 O ATOM 0 H GLY A 229 -9.637 0.343 3.064 1.00 1.00 H new ATOM 0 HA2 GLY A 229 -9.288 2.032 0.824 1.00 1.00 H new ATOM 0 HA3 GLY A 229 -10.680 1.037 1.205 1.00 1.00 H new ATOM 441 N LEU A 230 -11.216 3.150 3.206 1.00 1.00 N ATOM 442 CA LEU A 230 -11.985 4.297 3.673 1.00 1.00 C ATOM 443 C LEU A 230 -11.156 5.576 3.575 1.00 1.00 C ATOM 444 O LEU A 230 -11.680 6.646 3.270 1.00 1.00 O ATOM 445 CB LEU A 230 -12.435 4.083 5.123 1.00 1.00 C ATOM 446 CG LEU A 230 -13.253 2.817 5.381 1.00 1.00 C ATOM 447 CD1 LEU A 230 -13.379 2.565 6.876 1.00 1.00 C ATOM 448 CD2 LEU A 230 -14.629 2.926 4.741 1.00 1.00 C ATOM 0 H LEU A 230 -11.026 2.452 3.925 1.00 1.00 H new ATOM 0 HA LEU A 230 -12.865 4.398 3.037 1.00 1.00 H new ATOM 0 HB2 LEU A 230 -11.550 4.058 5.759 1.00 1.00 H new ATOM 0 HB3 LEU A 230 -13.026 4.945 5.432 1.00 1.00 H new ATOM 0 HG LEU A 230 -12.733 1.973 4.929 1.00 1.00 H new ATOM 0 HD11 LEU A 230 -13.964 1.661 7.045 1.00 1.00 H new ATOM 0 HD12 LEU A 230 -12.386 2.441 7.309 1.00 1.00 H new ATOM 0 HD13 LEU A 230 -13.877 3.412 7.347 1.00 1.00 H new ATOM 0 HD21 LEU A 230 -15.194 2.015 4.937 1.00 1.00 H new ATOM 0 HD22 LEU A 230 -15.160 3.780 5.162 1.00 1.00 H new ATOM 0 HD23 LEU A 230 -14.520 3.061 3.665 1.00 1.00 H new ATOM 460 N TYR A 231 -9.855 5.454 3.808 1.00 1.00 N ATOM 461 CA TYR A 231 -8.955 6.601 3.757 1.00 1.00 C ATOM 462 C TYR A 231 -8.894 7.172 2.342 1.00 1.00 C ATOM 463 O TYR A 231 -8.919 8.389 2.145 1.00 1.00 O ATOM 464 CB TYR A 231 -7.555 6.190 4.228 1.00 1.00 C ATOM 465 CG TYR A 231 -6.647 7.349 4.574 1.00 1.00 C ATOM 466 CD1 TYR A 231 -6.012 8.082 3.581 1.00 1.00 C ATOM 467 CD2 TYR A 231 -6.419 7.705 5.897 1.00 1.00 C ATOM 468 CE1 TYR A 231 -5.179 9.135 3.895 1.00 1.00 C ATOM 469 CE2 TYR A 231 -5.584 8.760 6.219 1.00 1.00 C ATOM 470 CZ TYR A 231 -4.968 9.470 5.214 1.00 1.00 C ATOM 471 OH TYR A 231 -4.138 10.526 5.520 1.00 1.00 O ATOM 0 H TYR A 231 -9.398 4.571 4.035 1.00 1.00 H new ATOM 0 HA TYR A 231 -9.337 7.375 4.422 1.00 1.00 H new ATOM 0 HB2 TYR A 231 -7.653 5.548 5.103 1.00 1.00 H new ATOM 0 HB3 TYR A 231 -7.082 5.595 3.447 1.00 1.00 H new ATOM 0 HD1 TYR A 231 -6.173 7.823 2.545 1.00 1.00 H new ATOM 0 HD2 TYR A 231 -6.901 7.149 6.687 1.00 1.00 H new ATOM 0 HE1 TYR A 231 -4.694 9.695 3.109 1.00 1.00 H new ATOM 0 HE2 TYR A 231 -5.417 9.025 7.253 1.00 1.00 H new ATOM 0 HH TYR A 231 -4.219 11.217 4.829 1.00 1.00 H new ATOM 481 N HIS A 232 -8.843 6.288 1.356 1.00 1.00 N ATOM 482 CA HIS A 232 -8.774 6.711 -0.039 1.00 1.00 C ATOM 483 C HIS A 232 -10.105 7.299 -0.497 1.00 1.00 C ATOM 484 O HIS A 232 -10.157 8.044 -1.476 1.00 1.00 O ATOM 485 CB HIS A 232 -8.396 5.535 -0.943 1.00 1.00 C ATOM 486 CG HIS A 232 -7.705 5.943 -2.214 1.00 1.00 C ATOM 487 ND1 HIS A 232 -8.302 6.710 -3.192 1.00 1.00 N ATOM 488 CD2 HIS A 232 -6.450 5.694 -2.653 1.00 1.00 C ATOM 489 CE1 HIS A 232 -7.443 6.918 -4.171 1.00 1.00 C ATOM 490 NE2 HIS A 232 -6.309 6.313 -3.872 1.00 1.00 N ATOM 0 H HIS A 232 -8.848 5.277 1.493 1.00 1.00 H new ATOM 0 HA HIS A 232 -8.005 7.480 -0.113 1.00 1.00 H new ATOM 0 HB2 HIS A 232 -7.746 4.857 -0.389 1.00 1.00 H new ATOM 0 HB3 HIS A 232 -9.298 4.977 -1.194 1.00 1.00 H new ATOM 0 HD1 HIS A 232 -9.259 7.062 -3.163 1.00 1.00 H new ATOM 0 HD2 HIS A 232 -5.697 5.115 -2.140 1.00 1.00 H new ATOM 0 HE1 HIS A 232 -7.636 7.488 -5.068 1.00 1.00 H new ATOM 0 HE2 HIS A 232 -5.468 6.306 -4.449 1.00 1.00 H new ATOM 499 N LYS A 233 -11.176 6.956 0.203 1.00 1.00 N ATOM 500 CA LYS A 233 -12.500 7.450 -0.143 1.00 1.00 C ATOM 501 C LYS A 233 -12.796 8.779 0.548 1.00 1.00 C ATOM 502 O LYS A 233 -13.142 9.763 -0.108 1.00 1.00 O ATOM 503 CB LYS A 233 -13.568 6.418 0.233 1.00 1.00 C ATOM 504 CG LYS A 233 -14.967 6.808 -0.213 1.00 1.00 C ATOM 505 CD LYS A 233 -16.010 5.813 0.269 1.00 1.00 C ATOM 506 CE LYS A 233 -17.404 6.197 -0.208 1.00 1.00 C ATOM 507 NZ LYS A 233 -17.481 6.276 -1.692 1.00 1.00 N ATOM 0 H LYS A 233 -11.154 6.338 1.014 1.00 1.00 H new ATOM 0 HA LYS A 233 -12.522 7.614 -1.220 1.00 1.00 H new ATOM 0 HB2 LYS A 233 -13.307 5.458 -0.212 1.00 1.00 H new ATOM 0 HB3 LYS A 233 -13.565 6.280 1.314 1.00 1.00 H new ATOM 0 HG2 LYS A 233 -15.207 7.800 0.169 1.00 1.00 H new ATOM 0 HG3 LYS A 233 -14.998 6.869 -1.301 1.00 1.00 H new ATOM 0 HD2 LYS A 233 -15.760 4.816 -0.095 1.00 1.00 H new ATOM 0 HD3 LYS A 233 -15.996 5.767 1.358 1.00 1.00 H new ATOM 0 HE2 LYS A 233 -18.126 5.465 0.154 1.00 1.00 H new ATOM 0 HE3 LYS A 233 -17.682 7.159 0.222 1.00 1.00 H new ATOM 0 HZ1 LYS A 233 -18.478 6.286 -1.988 1.00 1.00 H new ATOM 0 HZ2 LYS A 233 -17.014 7.146 -2.018 1.00 1.00 H new ATOM 0 HZ3 LYS A 233 -17.005 5.451 -2.109 1.00 1.00 H new ATOM 521 N MET A 234 -12.658 8.799 1.868 1.00 1.00 N ATOM 522 CA MET A 234 -12.931 9.996 2.656 1.00 1.00 C ATOM 523 C MET A 234 -11.881 11.074 2.431 1.00 1.00 C ATOM 524 O MET A 234 -12.179 12.134 1.882 1.00 1.00 O ATOM 525 CB MET A 234 -13.004 9.645 4.145 1.00 1.00 C ATOM 526 CG MET A 234 -14.373 9.163 4.595 1.00 1.00 C ATOM 527 SD MET A 234 -14.771 7.507 3.994 1.00 1.00 S ATOM 528 CE MET A 234 -16.419 7.303 4.665 1.00 1.00 C ATOM 0 H MET A 234 -12.357 7.995 2.419 1.00 1.00 H new ATOM 0 HA MET A 234 -13.892 10.391 2.327 1.00 1.00 H new ATOM 0 HB2 MET A 234 -12.267 8.872 4.363 1.00 1.00 H new ATOM 0 HB3 MET A 234 -12.728 10.523 4.730 1.00 1.00 H new ATOM 0 HG2 MET A 234 -14.414 9.168 5.684 1.00 1.00 H new ATOM 0 HG3 MET A 234 -15.132 9.863 4.245 1.00 1.00 H new ATOM 0 HE1 MET A 234 -16.809 6.325 4.382 1.00 1.00 H new ATOM 0 HE2 MET A 234 -16.381 7.378 5.752 1.00 1.00 H new ATOM 0 HE3 MET A 234 -17.072 8.082 4.270 1.00 1.00 H new ATOM 538 N ASN A 235 -10.650 10.792 2.844 1.00 1.00 N ATOM 539 CA ASN A 235 -9.552 11.746 2.705 1.00 1.00 C ATOM 540 C ASN A 235 -9.296 12.079 1.247 1.00 1.00 C ATOM 541 O ASN A 235 -8.932 13.205 0.908 1.00 1.00 O ATOM 542 CB ASN A 235 -8.274 11.191 3.333 1.00 1.00 C ATOM 543 CG ASN A 235 -8.248 11.349 4.838 1.00 1.00 C ATOM 544 OD1 ASN A 235 -8.779 10.514 5.571 1.00 1.00 O ATOM 545 ND2 ASN A 235 -7.627 12.418 5.308 1.00 1.00 N ATOM 0 H ASN A 235 -10.386 9.908 3.279 1.00 1.00 H new ATOM 0 HA ASN A 235 -9.842 12.658 3.226 1.00 1.00 H new ATOM 0 HB2 ASN A 235 -8.179 10.135 3.081 1.00 1.00 H new ATOM 0 HB3 ASN A 235 -7.412 11.700 2.903 1.00 1.00 H new ATOM 0 HD21 ASN A 235 -7.574 12.576 6.314 1.00 1.00 H new ATOM 0 HD22 ASN A 235 -7.201 13.084 4.664 1.00 1.00 H new ATOM 552 N GLY A 236 -9.484 11.094 0.386 1.00 1.00 N ATOM 553 CA GLY A 236 -9.265 11.301 -1.029 1.00 1.00 C ATOM 554 C GLY A 236 -7.794 11.259 -1.383 1.00 1.00 C ATOM 555 O GLY A 236 -7.393 11.695 -2.463 1.00 1.00 O ATOM 0 H GLY A 236 -9.785 10.153 0.641 1.00 1.00 H new ATOM 0 HA2 GLY A 236 -9.797 10.536 -1.595 1.00 1.00 H new ATOM 0 HA3 GLY A 236 -9.682 12.264 -1.324 1.00 1.00 H new ATOM 559 N GLN A 237 -6.989 10.744 -0.463 1.00 1.00 N ATOM 560 CA GLN A 237 -5.554 10.629 -0.676 1.00 1.00 C ATOM 561 C GLN A 237 -5.249 9.326 -1.404 1.00 1.00 C ATOM 562 O GLN A 237 -6.145 8.722 -1.989 1.00 1.00 O ATOM 563 CB GLN A 237 -4.808 10.694 0.658 1.00 1.00 C ATOM 564 CG GLN A 237 -4.544 12.114 1.131 1.00 1.00 C ATOM 565 CD GLN A 237 -3.938 12.169 2.519 1.00 1.00 C ATOM 566 OE1 GLN A 237 -4.652 12.274 3.516 1.00 1.00 O ATOM 567 NE2 GLN A 237 -2.618 12.090 2.600 1.00 1.00 N ATOM 0 H GLN A 237 -7.308 10.398 0.442 1.00 1.00 H new ATOM 0 HA GLN A 237 -5.215 11.463 -1.290 1.00 1.00 H new ATOM 0 HB2 GLN A 237 -5.388 10.168 1.416 1.00 1.00 H new ATOM 0 HB3 GLN A 237 -3.858 10.168 0.561 1.00 1.00 H new ATOM 0 HG2 GLN A 237 -3.874 12.607 0.427 1.00 1.00 H new ATOM 0 HG3 GLN A 237 -5.479 12.673 1.126 1.00 1.00 H new ATOM 0 HE21 GLN A 237 -2.059 12.004 1.751 1.00 1.00 H new ATOM 0 HE22 GLN A 237 -2.161 12.115 3.511 1.00 1.00 H new ATOM 576 N ASN A 238 -4.004 8.887 -1.366 1.00 1.00 N ATOM 577 CA ASN A 238 -3.622 7.657 -2.044 1.00 1.00 C ATOM 578 C ASN A 238 -3.257 6.581 -1.034 1.00 1.00 C ATOM 579 O ASN A 238 -2.412 6.856 -0.163 1.00 1.00 O ATOM 580 CB ASN A 238 -2.452 7.909 -2.997 1.00 1.00 C ATOM 581 CG ASN A 238 -2.678 7.292 -4.364 1.00 1.00 C ATOM 582 OD1 ASN A 238 -3.817 7.097 -4.793 1.00 1.00 O ATOM 583 ND2 ASN A 238 -1.597 6.980 -5.063 1.00 1.00 N ATOM 0 H ASN A 238 -3.243 9.359 -0.877 1.00 1.00 H new ATOM 0 HA ASN A 238 -4.475 7.310 -2.627 1.00 1.00 H new ATOM 0 HB2 ASN A 238 -2.301 8.983 -3.106 1.00 1.00 H new ATOM 0 HB3 ASN A 238 -1.539 7.501 -2.563 1.00 1.00 H new ATOM 0 HD21 ASN A 238 -1.691 6.564 -5.989 1.00 1.00 H new ATOM 0 HD22 ASN A 238 -0.670 7.156 -4.675 1.00 1.00 H new TER 590 ASN A 238 ATOM 591 N GLY B 1 24.856 7.261 -10.492 1.00 1.00 N ATOM 592 CA GLY B 1 25.160 8.140 -9.336 1.00 1.00 C ATOM 593 C GLY B 1 25.046 7.400 -8.021 1.00 1.00 C ATOM 594 O GLY B 1 24.147 7.678 -7.224 1.00 1.00 O ATOM 0 H1 GLY B 1 24.945 7.804 -11.374 1.00 1.00 H new ATOM 0 H2 GLY B 1 25.524 6.464 -10.507 1.00 1.00 H new ATOM 0 H3 GLY B 1 23.885 6.897 -10.406 1.00 1.00 H new ATOM 0 HA2 GLY B 1 26.168 8.542 -9.440 1.00 1.00 H new ATOM 0 HA3 GLY B 1 24.476 8.989 -9.336 1.00 1.00 H new ATOM 600 N SER B 2 25.950 6.439 -7.815 1.00 1.00 N ATOM 601 CA SER B 2 25.999 5.620 -6.600 1.00 1.00 C ATOM 602 C SER B 2 24.821 4.643 -6.511 1.00 1.00 C ATOM 603 O SER B 2 25.025 3.429 -6.472 1.00 1.00 O ATOM 604 CB SER B 2 26.076 6.506 -5.351 1.00 1.00 C ATOM 605 OG SER B 2 27.235 7.324 -5.390 1.00 1.00 O ATOM 0 H SER B 2 26.675 6.205 -8.493 1.00 1.00 H new ATOM 0 HA SER B 2 26.906 5.018 -6.653 1.00 1.00 H new ATOM 0 HB2 SER B 2 25.185 7.131 -5.286 1.00 1.00 H new ATOM 0 HB3 SER B 2 26.094 5.883 -4.457 1.00 1.00 H new ATOM 0 HG SER B 2 27.267 7.884 -4.586 1.00 1.00 H new ATOM 611 N LEU B 3 23.597 5.157 -6.490 1.00 1.00 N ATOM 612 CA LEU B 3 22.420 4.304 -6.405 1.00 1.00 C ATOM 613 C LEU B 3 21.224 4.949 -7.103 1.00 1.00 C ATOM 614 O LEU B 3 21.089 4.848 -8.321 1.00 1.00 O ATOM 615 CB LEU B 3 22.081 3.995 -4.942 1.00 1.00 C ATOM 616 CG LEU B 3 20.980 2.953 -4.739 1.00 1.00 C ATOM 617 CD1 LEU B 3 21.424 1.601 -5.278 1.00 1.00 C ATOM 618 CD2 LEU B 3 20.604 2.850 -3.270 1.00 1.00 C ATOM 0 H LEU B 3 23.395 6.156 -6.531 1.00 1.00 H new ATOM 0 HA LEU B 3 22.647 3.368 -6.915 1.00 1.00 H new ATOM 0 HB2 LEU B 3 22.985 3.649 -4.441 1.00 1.00 H new ATOM 0 HB3 LEU B 3 21.779 4.920 -4.452 1.00 1.00 H new ATOM 0 HG LEU B 3 20.097 3.271 -5.293 1.00 1.00 H new ATOM 0 HD11 LEU B 3 20.630 0.870 -5.126 1.00 1.00 H new ATOM 0 HD12 LEU B 3 21.639 1.687 -6.343 1.00 1.00 H new ATOM 0 HD13 LEU B 3 22.321 1.276 -4.751 1.00 1.00 H new ATOM 0 HD21 LEU B 3 19.819 2.104 -3.147 1.00 1.00 H new ATOM 0 HD22 LEU B 3 21.479 2.556 -2.690 1.00 1.00 H new ATOM 0 HD23 LEU B 3 20.244 3.817 -2.918 1.00 1.00 H new ATOM 630 N LEU B 4 20.364 5.609 -6.318 1.00 1.00 N ATOM 631 CA LEU B 4 19.162 6.275 -6.835 1.00 1.00 C ATOM 632 C LEU B 4 18.218 5.279 -7.512 1.00 1.00 C ATOM 633 O LEU B 4 17.390 5.657 -8.341 1.00 1.00 O ATOM 634 CB LEU B 4 19.533 7.398 -7.813 1.00 1.00 C ATOM 635 CG LEU B 4 19.572 8.808 -7.213 1.00 1.00 C ATOM 636 CD1 LEU B 4 18.207 9.196 -6.663 1.00 1.00 C ATOM 637 CD2 LEU B 4 20.628 8.902 -6.124 1.00 1.00 C ATOM 0 H LEU B 4 20.481 5.696 -5.309 1.00 1.00 H new ATOM 0 HA LEU B 4 18.642 6.712 -5.982 1.00 1.00 H new ATOM 0 HB2 LEU B 4 20.511 7.176 -8.240 1.00 1.00 H new ATOM 0 HB3 LEU B 4 18.818 7.391 -8.635 1.00 1.00 H new ATOM 0 HG LEU B 4 19.835 9.506 -8.008 1.00 1.00 H new ATOM 0 HD11 LEU B 4 18.256 10.200 -6.242 1.00 1.00 H new ATOM 0 HD12 LEU B 4 17.472 9.176 -7.467 1.00 1.00 H new ATOM 0 HD13 LEU B 4 17.914 8.490 -5.886 1.00 1.00 H new ATOM 0 HD21 LEU B 4 20.638 9.911 -5.713 1.00 1.00 H new ATOM 0 HD22 LEU B 4 20.398 8.190 -5.332 1.00 1.00 H new ATOM 0 HD23 LEU B 4 21.607 8.673 -6.545 1.00 1.00 H new ATOM 649 N LYS B 5 18.333 4.013 -7.137 1.00 1.00 N ATOM 650 CA LYS B 5 17.501 2.964 -7.707 1.00 1.00 C ATOM 651 C LYS B 5 16.988 2.030 -6.617 1.00 1.00 C ATOM 652 O LYS B 5 17.777 1.430 -5.889 1.00 1.00 O ATOM 653 CB LYS B 5 18.294 2.159 -8.747 1.00 1.00 C ATOM 654 CG LYS B 5 18.341 2.804 -10.124 1.00 1.00 C ATOM 655 CD LYS B 5 17.312 2.195 -11.067 1.00 1.00 C ATOM 656 CE LYS B 5 15.896 2.610 -10.700 1.00 1.00 C ATOM 657 NZ LYS B 5 14.876 1.737 -11.332 1.00 1.00 N ATOM 0 H LYS B 5 18.999 3.687 -6.436 1.00 1.00 H new ATOM 0 HA LYS B 5 16.648 3.436 -8.195 1.00 1.00 H new ATOM 0 HB2 LYS B 5 19.313 2.023 -8.386 1.00 1.00 H new ATOM 0 HB3 LYS B 5 17.853 1.166 -8.837 1.00 1.00 H new ATOM 0 HG2 LYS B 5 18.160 3.875 -10.031 1.00 1.00 H new ATOM 0 HG3 LYS B 5 19.338 2.685 -10.548 1.00 1.00 H new ATOM 0 HD2 LYS B 5 17.528 2.504 -12.090 1.00 1.00 H new ATOM 0 HD3 LYS B 5 17.391 1.108 -11.039 1.00 1.00 H new ATOM 0 HE2 LYS B 5 15.779 2.578 -9.617 1.00 1.00 H new ATOM 0 HE3 LYS B 5 15.730 3.642 -11.008 1.00 1.00 H new ATOM 0 HZ1 LYS B 5 13.926 2.056 -11.055 1.00 1.00 H new ATOM 0 HZ2 LYS B 5 14.970 1.787 -12.367 1.00 1.00 H new ATOM 0 HZ3 LYS B 5 15.017 0.755 -11.018 1.00 1.00 H new ATOM 671 N PRO B 6 15.659 1.917 -6.475 1.00 1.00 N ATOM 672 CA PRO B 6 15.049 1.036 -5.477 1.00 1.00 C ATOM 673 C PRO B 6 15.172 -0.433 -5.877 1.00 1.00 C ATOM 674 O PRO B 6 14.943 -0.794 -7.034 1.00 1.00 O ATOM 675 CB PRO B 6 13.584 1.477 -5.461 1.00 1.00 C ATOM 676 CG PRO B 6 13.343 2.050 -6.815 1.00 1.00 C ATOM 677 CD PRO B 6 14.652 2.645 -7.265 1.00 1.00 C ATOM 0 HA PRO B 6 15.530 1.111 -4.502 1.00 1.00 H new ATOM 0 HB2 PRO B 6 12.920 0.635 -5.264 1.00 1.00 H new ATOM 0 HB3 PRO B 6 13.402 2.216 -4.681 1.00 1.00 H new ATOM 0 HG2 PRO B 6 13.008 1.279 -7.509 1.00 1.00 H new ATOM 0 HG3 PRO B 6 12.562 2.810 -6.782 1.00 1.00 H new ATOM 0 HD2 PRO B 6 14.807 2.507 -8.335 1.00 1.00 H new ATOM 0 HD3 PRO B 6 14.691 3.717 -7.073 1.00 1.00 H new ATOM 685 N ALA B 7 15.543 -1.275 -4.925 1.00 1.00 N ATOM 686 CA ALA B 7 15.707 -2.697 -5.196 1.00 1.00 C ATOM 687 C ALA B 7 15.101 -3.556 -4.094 1.00 1.00 C ATOM 688 O ALA B 7 15.137 -4.783 -4.165 1.00 1.00 O ATOM 689 CB ALA B 7 17.181 -3.027 -5.367 1.00 1.00 C ATOM 0 H ALA B 7 15.736 -1.001 -3.962 1.00 1.00 H new ATOM 0 HA ALA B 7 15.175 -2.923 -6.120 1.00 1.00 H new ATOM 0 HB1 ALA B 7 17.294 -4.092 -5.569 1.00 1.00 H new ATOM 0 HB2 ALA B 7 17.588 -2.454 -6.200 1.00 1.00 H new ATOM 0 HB3 ALA B 7 17.719 -2.772 -4.454 1.00 1.00 H new ATOM 695 N ARG B 8 14.533 -2.921 -3.081 1.00 1.00 N ATOM 696 CA ARG B 8 13.939 -3.653 -1.973 1.00 1.00 C ATOM 697 C ARG B 8 12.426 -3.499 -1.969 1.00 1.00 C ATOM 698 O ARG B 8 11.901 -2.424 -2.259 1.00 1.00 O ATOM 699 CB ARG B 8 14.510 -3.176 -0.637 1.00 1.00 C ATOM 700 CG ARG B 8 16.015 -3.340 -0.520 1.00 1.00 C ATOM 701 CD ARG B 8 16.446 -4.779 -0.751 1.00 1.00 C ATOM 702 NE ARG B 8 17.892 -4.939 -0.631 1.00 1.00 N ATOM 703 CZ ARG B 8 18.620 -5.752 -1.396 1.00 1.00 C ATOM 704 NH1 ARG B 8 18.039 -6.478 -2.348 1.00 1.00 N ATOM 705 NH2 ARG B 8 19.931 -5.834 -1.212 1.00 1.00 N ATOM 0 H ARG B 8 14.471 -1.906 -3.003 1.00 1.00 H new ATOM 0 HA ARG B 8 14.184 -4.707 -2.105 1.00 1.00 H new ATOM 0 HB2 ARG B 8 14.257 -2.125 -0.499 1.00 1.00 H new ATOM 0 HB3 ARG B 8 14.030 -3.728 0.171 1.00 1.00 H new ATOM 0 HG2 ARG B 8 16.509 -2.692 -1.244 1.00 1.00 H new ATOM 0 HG3 ARG B 8 16.340 -3.018 0.469 1.00 1.00 H new ATOM 0 HD2 ARG B 8 15.948 -5.428 -0.030 1.00 1.00 H new ATOM 0 HD3 ARG B 8 16.126 -5.099 -1.743 1.00 1.00 H new ATOM 0 HE ARG B 8 18.376 -4.394 0.083 1.00 1.00 H new ATOM 0 HH11 ARG B 8 17.032 -6.414 -2.495 1.00 1.00 H new ATOM 0 HH12 ARG B 8 18.601 -7.099 -2.931 1.00 1.00 H new ATOM 0 HH21 ARG B 8 20.380 -5.276 -0.486 1.00 1.00 H new ATOM 0 HH22 ARG B 8 20.490 -6.456 -1.796 1.00 1.00 H new ATOM 719 N PHE B 9 11.740 -4.586 -1.645 1.00 1.00 N ATOM 720 CA PHE B 9 10.284 -4.596 -1.588 1.00 1.00 C ATOM 721 C PHE B 9 9.813 -4.996 -0.193 1.00 1.00 C ATOM 722 O PHE B 9 8.646 -5.322 0.016 1.00 1.00 O ATOM 723 CB PHE B 9 9.711 -5.556 -2.640 1.00 1.00 C ATOM 724 CG PHE B 9 10.337 -6.927 -2.632 1.00 1.00 C ATOM 725 CD1 PHE B 9 9.917 -7.894 -1.732 1.00 1.00 C ATOM 726 CD2 PHE B 9 11.345 -7.245 -3.528 1.00 1.00 C ATOM 727 CE1 PHE B 9 10.490 -9.151 -1.726 1.00 1.00 C ATOM 728 CE2 PHE B 9 11.921 -8.501 -3.526 1.00 1.00 C ATOM 729 CZ PHE B 9 11.493 -9.455 -2.623 1.00 1.00 C ATOM 0 H PHE B 9 12.173 -5.481 -1.416 1.00 1.00 H new ATOM 0 HA PHE B 9 9.922 -3.591 -1.805 1.00 1.00 H new ATOM 0 HB2 PHE B 9 8.638 -5.658 -2.476 1.00 1.00 H new ATOM 0 HB3 PHE B 9 9.842 -5.115 -3.628 1.00 1.00 H new ATOM 0 HD1 PHE B 9 9.132 -7.662 -1.027 1.00 1.00 H new ATOM 0 HD2 PHE B 9 11.684 -6.503 -4.236 1.00 1.00 H new ATOM 0 HE1 PHE B 9 10.153 -9.895 -1.020 1.00 1.00 H new ATOM 0 HE2 PHE B 9 12.705 -8.737 -4.230 1.00 1.00 H new ATOM 0 HZ PHE B 9 11.943 -10.437 -2.619 1.00 1.00 H new ATOM 739 N MET B 10 10.730 -4.963 0.760 1.00 1.00 N ATOM 740 CA MET B 10 10.419 -5.330 2.131 1.00 1.00 C ATOM 741 C MET B 10 11.001 -4.314 3.100 1.00 1.00 C ATOM 742 O MET B 10 12.185 -3.983 3.024 1.00 1.00 O ATOM 743 CB MET B 10 10.971 -6.723 2.453 1.00 1.00 C ATOM 744 CG MET B 10 10.864 -7.099 3.926 1.00 1.00 C ATOM 745 SD MET B 10 11.393 -8.792 4.256 1.00 1.00 S ATOM 746 CE MET B 10 11.380 -8.808 6.047 1.00 1.00 C ATOM 0 H MET B 10 11.699 -4.685 0.608 1.00 1.00 H new ATOM 0 HA MET B 10 9.335 -5.344 2.240 1.00 1.00 H new ATOM 0 HB2 MET B 10 10.435 -7.463 1.858 1.00 1.00 H new ATOM 0 HB3 MET B 10 12.017 -6.768 2.151 1.00 1.00 H new ATOM 0 HG2 MET B 10 11.470 -6.412 4.516 1.00 1.00 H new ATOM 0 HG3 MET B 10 9.832 -6.975 4.254 1.00 1.00 H new ATOM 0 HE1 MET B 10 11.686 -9.791 6.404 1.00 1.00 H new ATOM 0 HE2 MET B 10 12.072 -8.054 6.423 1.00 1.00 H new ATOM 0 HE3 MET B 10 10.374 -8.588 6.406 1.00 1.00 H new ATOM 756 N CYS B 11 10.168 -3.818 3.998 1.00 1.00 N ATOM 757 CA CYS B 11 10.611 -2.855 4.984 1.00 1.00 C ATOM 758 C CYS B 11 11.184 -3.574 6.199 1.00 1.00 C ATOM 759 O CYS B 11 10.484 -4.337 6.865 1.00 1.00 O ATOM 760 CB CYS B 11 9.453 -1.954 5.397 1.00 1.00 C ATOM 761 SG CYS B 11 8.734 -1.001 4.025 1.00 1.00 S ATOM 0 H CYS B 11 9.181 -4.068 4.063 1.00 1.00 H new ATOM 0 HA CYS B 11 11.393 -2.236 4.545 1.00 1.00 H new ATOM 0 HB2 CYS B 11 8.673 -2.566 5.849 1.00 1.00 H new ATOM 0 HB3 CYS B 11 9.800 -1.262 6.164 1.00 1.00 H new ATOM 766 N LEU B 12 12.457 -3.337 6.466 1.00 1.00 N ATOM 767 CA LEU B 12 13.140 -3.952 7.596 1.00 1.00 C ATOM 768 C LEU B 12 12.552 -3.487 8.938 1.00 1.00 C ATOM 769 O LEU B 12 12.272 -4.321 9.798 1.00 1.00 O ATOM 770 CB LEU B 12 14.647 -3.666 7.537 1.00 1.00 C ATOM 771 CG LEU B 12 15.471 -4.637 6.685 1.00 1.00 C ATOM 772 CD1 LEU B 12 15.165 -4.450 5.206 1.00 1.00 C ATOM 773 CD2 LEU B 12 16.955 -4.442 6.953 1.00 1.00 C ATOM 0 H LEU B 12 13.045 -2.716 5.910 1.00 1.00 H new ATOM 0 HA LEU B 12 12.986 -5.029 7.527 1.00 1.00 H new ATOM 0 HB2 LEU B 12 14.793 -2.657 7.150 1.00 1.00 H new ATOM 0 HB3 LEU B 12 15.041 -3.678 8.553 1.00 1.00 H new ATOM 0 HG LEU B 12 15.198 -5.656 6.961 1.00 1.00 H new ATOM 0 HD11 LEU B 12 15.761 -5.149 4.620 1.00 1.00 H new ATOM 0 HD12 LEU B 12 14.106 -4.637 5.027 1.00 1.00 H new ATOM 0 HD13 LEU B 12 15.408 -3.429 4.910 1.00 1.00 H new ATOM 0 HD21 LEU B 12 17.530 -5.138 6.342 1.00 1.00 H new ATOM 0 HD22 LEU B 12 17.239 -3.420 6.703 1.00 1.00 H new ATOM 0 HD23 LEU B 12 17.162 -4.629 8.007 1.00 1.00 H new ATOM 785 N PRO B 13 12.364 -2.158 9.154 1.00 1.00 N ATOM 786 CA PRO B 13 11.799 -1.644 10.411 1.00 1.00 C ATOM 787 C PRO B 13 10.386 -2.161 10.658 1.00 1.00 C ATOM 788 O PRO B 13 10.071 -2.645 11.745 1.00 1.00 O ATOM 789 CB PRO B 13 11.776 -0.123 10.219 1.00 1.00 C ATOM 790 CG PRO B 13 12.750 0.143 9.126 1.00 1.00 C ATOM 791 CD PRO B 13 12.693 -1.058 8.228 1.00 1.00 C ATOM 0 HA PRO B 13 12.386 -1.964 11.272 1.00 1.00 H new ATOM 0 HB2 PRO B 13 10.778 0.226 9.952 1.00 1.00 H new ATOM 0 HB3 PRO B 13 12.060 0.395 11.135 1.00 1.00 H new ATOM 0 HG2 PRO B 13 12.489 1.051 8.582 1.00 1.00 H new ATOM 0 HG3 PRO B 13 13.755 0.287 9.524 1.00 1.00 H new ATOM 0 HD2 PRO B 13 11.936 -0.945 7.452 1.00 1.00 H new ATOM 0 HD3 PRO B 13 13.644 -1.228 7.723 1.00 1.00 H new ATOM 799 N CYS B 14 9.539 -2.052 9.643 1.00 1.00 N ATOM 800 CA CYS B 14 8.163 -2.503 9.736 1.00 1.00 C ATOM 801 C CYS B 14 8.090 -4.026 9.844 1.00 1.00 C ATOM 802 O CYS B 14 7.363 -4.566 10.679 1.00 1.00 O ATOM 803 CB CYS B 14 7.405 -2.008 8.509 1.00 1.00 C ATOM 804 SG CYS B 14 8.129 -0.501 7.779 1.00 1.00 S ATOM 0 H CYS B 14 9.787 -1.651 8.739 1.00 1.00 H new ATOM 0 HA CYS B 14 7.707 -2.095 10.638 1.00 1.00 H new ATOM 0 HB2 CYS B 14 7.389 -2.797 7.757 1.00 1.00 H new ATOM 0 HB3 CYS B 14 6.369 -1.809 8.785 1.00 1.00 H new ATOM 809 N GLY B 15 8.853 -4.710 9.004 1.00 1.00 N ATOM 810 CA GLY B 15 8.861 -6.160 9.017 1.00 1.00 C ATOM 811 C GLY B 15 7.856 -6.739 8.045 1.00 1.00 C ATOM 812 O GLY B 15 7.564 -7.934 8.071 1.00 1.00 O ATOM 0 H GLY B 15 9.469 -4.286 8.311 1.00 1.00 H new ATOM 0 HA2 GLY B 15 9.859 -6.520 8.765 1.00 1.00 H new ATOM 0 HA3 GLY B 15 8.639 -6.515 10.023 1.00 1.00 H new ATOM 816 N ILE B 16 7.333 -5.886 7.175 1.00 1.00 N ATOM 817 CA ILE B 16 6.347 -6.304 6.189 1.00 1.00 C ATOM 818 C ILE B 16 6.966 -6.353 4.795 1.00 1.00 C ATOM 819 O ILE B 16 7.696 -5.442 4.399 1.00 1.00 O ATOM 820 CB ILE B 16 5.127 -5.355 6.169 1.00 1.00 C ATOM 821 CG1 ILE B 16 4.540 -5.204 7.577 1.00 1.00 C ATOM 822 CG2 ILE B 16 4.070 -5.869 5.206 1.00 1.00 C ATOM 823 CD1 ILE B 16 3.300 -4.337 7.633 1.00 1.00 C ATOM 0 H ILE B 16 7.577 -4.896 7.132 1.00 1.00 H new ATOM 0 HA ILE B 16 6.010 -7.301 6.475 1.00 1.00 H new ATOM 0 HB ILE B 16 5.459 -4.375 5.827 1.00 1.00 H new ATOM 0 HG12 ILE B 16 4.299 -6.193 7.968 1.00 1.00 H new ATOM 0 HG13 ILE B 16 5.299 -4.779 8.233 1.00 1.00 H new ATOM 0 HG21 ILE B 16 3.218 -5.189 5.204 1.00 1.00 H new ATOM 0 HG22 ILE B 16 4.490 -5.927 4.202 1.00 1.00 H new ATOM 0 HG23 ILE B 16 3.743 -6.860 5.520 1.00 1.00 H new ATOM 0 HD11 ILE B 16 2.944 -4.278 8.661 1.00 1.00 H new ATOM 0 HD12 ILE B 16 3.539 -3.336 7.274 1.00 1.00 H new ATOM 0 HD13 ILE B 16 2.523 -4.772 7.004 1.00 1.00 H new ATOM 835 N ALA B 17 6.681 -7.421 4.064 1.00 1.00 N ATOM 836 CA ALA B 17 7.195 -7.592 2.714 1.00 1.00 C ATOM 837 C ALA B 17 6.074 -7.420 1.700 1.00 1.00 C ATOM 838 O ALA B 17 4.965 -7.922 1.898 1.00 1.00 O ATOM 839 CB ALA B 17 7.845 -8.959 2.562 1.00 1.00 C ATOM 0 H ALA B 17 6.091 -8.188 4.387 1.00 1.00 H new ATOM 0 HA ALA B 17 7.952 -6.830 2.529 1.00 1.00 H new ATOM 0 HB1 ALA B 17 8.224 -9.071 1.546 1.00 1.00 H new ATOM 0 HB2 ALA B 17 8.669 -9.051 3.269 1.00 1.00 H new ATOM 0 HB3 ALA B 17 7.108 -9.737 2.762 1.00 1.00 H new ATOM 845 N PHE B 18 6.364 -6.709 0.623 1.00 1.00 N ATOM 846 CA PHE B 18 5.383 -6.465 -0.422 1.00 1.00 C ATOM 847 C PHE B 18 5.799 -7.141 -1.716 1.00 1.00 C ATOM 848 O PHE B 18 6.803 -7.849 -1.767 1.00 1.00 O ATOM 849 CB PHE B 18 5.227 -4.965 -0.668 1.00 1.00 C ATOM 850 CG PHE B 18 4.287 -4.283 0.281 1.00 1.00 C ATOM 851 CD1 PHE B 18 4.605 -4.153 1.623 1.00 1.00 C ATOM 852 CD2 PHE B 18 3.084 -3.766 -0.171 1.00 1.00 C ATOM 853 CE1 PHE B 18 3.742 -3.522 2.495 1.00 1.00 C ATOM 854 CE2 PHE B 18 2.218 -3.132 0.696 1.00 1.00 C ATOM 855 CZ PHE B 18 2.548 -3.010 2.032 1.00 1.00 C ATOM 0 H PHE B 18 7.277 -6.288 0.449 1.00 1.00 H new ATOM 0 HA PHE B 18 4.431 -6.879 -0.091 1.00 1.00 H new ATOM 0 HB2 PHE B 18 6.206 -4.492 -0.595 1.00 1.00 H new ATOM 0 HB3 PHE B 18 4.873 -4.810 -1.687 1.00 1.00 H new ATOM 0 HD1 PHE B 18 5.539 -4.550 1.991 1.00 1.00 H new ATOM 0 HD2 PHE B 18 2.821 -3.860 -1.214 1.00 1.00 H new ATOM 0 HE1 PHE B 18 4.001 -3.429 3.539 1.00 1.00 H new ATOM 0 HE2 PHE B 18 1.284 -2.732 0.331 1.00 1.00 H new ATOM 0 HZ PHE B 18 1.872 -2.514 2.713 1.00 1.00 H new ATOM 865 N SER B 19 5.004 -6.938 -2.748 1.00 1.00 N ATOM 866 CA SER B 19 5.281 -7.491 -4.060 1.00 1.00 C ATOM 867 C SER B 19 4.901 -6.482 -5.142 1.00 1.00 C ATOM 868 O SER B 19 5.488 -6.466 -6.227 1.00 1.00 O ATOM 869 CB SER B 19 4.526 -8.808 -4.249 1.00 1.00 C ATOM 870 OG SER B 19 4.891 -9.739 -3.242 1.00 1.00 O ATOM 0 H SER B 19 4.148 -6.385 -2.701 1.00 1.00 H new ATOM 0 HA SER B 19 6.348 -7.698 -4.143 1.00 1.00 H new ATOM 0 HB2 SER B 19 3.452 -8.627 -4.213 1.00 1.00 H new ATOM 0 HB3 SER B 19 4.746 -9.222 -5.233 1.00 1.00 H new ATOM 0 HG SER B 19 4.398 -10.576 -3.376 1.00 1.00 H new ATOM 876 N SER B 20 3.924 -5.636 -4.832 1.00 1.00 N ATOM 877 CA SER B 20 3.472 -4.612 -5.756 1.00 1.00 C ATOM 878 C SER B 20 3.969 -3.237 -5.307 1.00 1.00 C ATOM 879 O SER B 20 3.719 -2.811 -4.178 1.00 1.00 O ATOM 880 CB SER B 20 1.945 -4.619 -5.840 1.00 1.00 C ATOM 881 OG SER B 20 1.439 -5.947 -5.878 1.00 1.00 O ATOM 0 H SER B 20 3.429 -5.643 -3.940 1.00 1.00 H new ATOM 0 HA SER B 20 3.881 -4.825 -6.744 1.00 1.00 H new ATOM 0 HB2 SER B 20 1.528 -4.093 -4.981 1.00 1.00 H new ATOM 0 HB3 SER B 20 1.625 -4.079 -6.731 1.00 1.00 H new ATOM 0 HG SER B 20 1.441 -6.324 -4.973 1.00 1.00 H new ATOM 887 N PRO B 21 4.695 -2.525 -6.182 1.00 1.00 N ATOM 888 CA PRO B 21 5.227 -1.192 -5.872 1.00 1.00 C ATOM 889 C PRO B 21 4.121 -0.158 -5.669 1.00 1.00 C ATOM 890 O PRO B 21 4.305 0.837 -4.967 1.00 1.00 O ATOM 891 CB PRO B 21 6.070 -0.835 -7.106 1.00 1.00 C ATOM 892 CG PRO B 21 6.285 -2.124 -7.824 1.00 1.00 C ATOM 893 CD PRO B 21 5.076 -2.963 -7.533 1.00 1.00 C ATOM 0 HA PRO B 21 5.795 -1.193 -4.941 1.00 1.00 H new ATOM 0 HB2 PRO B 21 5.554 -0.114 -7.739 1.00 1.00 H new ATOM 0 HB3 PRO B 21 7.019 -0.383 -6.817 1.00 1.00 H new ATOM 0 HG2 PRO B 21 6.398 -1.960 -8.896 1.00 1.00 H new ATOM 0 HG3 PRO B 21 7.194 -2.616 -7.479 1.00 1.00 H new ATOM 0 HD2 PRO B 21 4.279 -2.788 -8.255 1.00 1.00 H new ATOM 0 HD3 PRO B 21 5.306 -4.028 -7.564 1.00 1.00 H new ATOM 901 N SER B 22 2.971 -0.416 -6.276 1.00 1.00 N ATOM 902 CA SER B 22 1.832 0.482 -6.182 1.00 1.00 C ATOM 903 C SER B 22 1.254 0.510 -4.766 1.00 1.00 C ATOM 904 O SER B 22 0.848 1.562 -4.276 1.00 1.00 O ATOM 905 CB SER B 22 0.766 0.054 -7.189 1.00 1.00 C ATOM 906 OG SER B 22 1.366 -0.315 -8.423 1.00 1.00 O ATOM 0 H SER B 22 2.803 -1.247 -6.843 1.00 1.00 H new ATOM 0 HA SER B 22 2.168 1.493 -6.414 1.00 1.00 H new ATOM 0 HB2 SER B 22 0.196 -0.785 -6.790 1.00 1.00 H new ATOM 0 HB3 SER B 22 0.061 0.870 -7.350 1.00 1.00 H new ATOM 0 HG SER B 22 0.670 -0.588 -9.056 1.00 1.00 H new ATOM 912 N THR B 23 1.231 -0.639 -4.103 1.00 1.00 N ATOM 913 CA THR B 23 0.698 -0.724 -2.750 1.00 1.00 C ATOM 914 C THR B 23 1.719 -0.240 -1.727 1.00 1.00 C ATOM 915 O THR B 23 1.370 0.430 -0.751 1.00 1.00 O ATOM 916 CB THR B 23 0.262 -2.162 -2.427 1.00 1.00 C ATOM 917 OG1 THR B 23 0.998 -3.079 -3.249 1.00 1.00 O ATOM 918 CG2 THR B 23 -1.228 -2.331 -2.676 1.00 1.00 C ATOM 0 H THR B 23 1.574 -1.523 -4.479 1.00 1.00 H new ATOM 0 HA THR B 23 -0.175 -0.074 -2.695 1.00 1.00 H new ATOM 0 HB THR B 23 0.466 -2.368 -1.376 1.00 1.00 H new ATOM 0 HG1 THR B 23 0.722 -3.997 -3.043 1.00 1.00 H new ATOM 0 HG21 THR B 23 -1.522 -3.354 -2.443 1.00 1.00 H new ATOM 0 HG22 THR B 23 -1.784 -1.640 -2.042 1.00 1.00 H new ATOM 0 HG23 THR B 23 -1.448 -2.120 -3.722 1.00 1.00 H new ATOM 926 N LEU B 24 2.988 -0.552 -1.972 1.00 1.00 N ATOM 927 CA LEU B 24 4.068 -0.142 -1.079 1.00 1.00 C ATOM 928 C LEU B 24 4.186 1.383 -1.028 1.00 1.00 C ATOM 929 O LEU B 24 4.743 1.942 -0.081 1.00 1.00 O ATOM 930 CB LEU B 24 5.397 -0.755 -1.534 1.00 1.00 C ATOM 931 CG LEU B 24 6.570 -0.569 -0.565 1.00 1.00 C ATOM 932 CD1 LEU B 24 7.159 -1.918 -0.170 1.00 1.00 C ATOM 933 CD2 LEU B 24 7.640 0.317 -1.188 1.00 1.00 C ATOM 0 H LEU B 24 3.295 -1.089 -2.783 1.00 1.00 H new ATOM 0 HA LEU B 24 3.834 -0.503 -0.078 1.00 1.00 H new ATOM 0 HB2 LEU B 24 5.249 -1.822 -1.698 1.00 1.00 H new ATOM 0 HB3 LEU B 24 5.669 -0.319 -2.495 1.00 1.00 H new ATOM 0 HG LEU B 24 6.197 -0.080 0.335 1.00 1.00 H new ATOM 0 HD11 LEU B 24 7.990 -1.765 0.518 1.00 1.00 H new ATOM 0 HD12 LEU B 24 6.392 -2.522 0.316 1.00 1.00 H new ATOM 0 HD13 LEU B 24 7.516 -2.434 -1.061 1.00 1.00 H new ATOM 0 HD21 LEU B 24 8.465 0.439 -0.487 1.00 1.00 H new ATOM 0 HD22 LEU B 24 8.007 -0.146 -2.104 1.00 1.00 H new ATOM 0 HD23 LEU B 24 7.214 1.293 -1.420 1.00 1.00 H new ATOM 945 N GLU B 25 3.652 2.045 -2.048 1.00 1.00 N ATOM 946 CA GLU B 25 3.686 3.499 -2.132 1.00 1.00 C ATOM 947 C GLU B 25 2.946 4.131 -0.950 1.00 1.00 C ATOM 948 O GLU B 25 3.430 5.092 -0.350 1.00 1.00 O ATOM 949 CB GLU B 25 3.075 3.956 -3.459 1.00 1.00 C ATOM 950 CG GLU B 25 3.222 5.447 -3.721 1.00 1.00 C ATOM 951 CD GLU B 25 1.915 6.198 -3.574 1.00 1.00 C ATOM 952 OE1 GLU B 25 1.030 6.028 -4.437 1.00 1.00 O ATOM 953 OE2 GLU B 25 1.768 6.959 -2.596 1.00 1.00 O ATOM 0 H GLU B 25 3.187 1.592 -2.835 1.00 1.00 H new ATOM 0 HA GLU B 25 4.724 3.828 -2.089 1.00 1.00 H new ATOM 0 HB2 GLU B 25 3.545 3.405 -4.274 1.00 1.00 H new ATOM 0 HB3 GLU B 25 2.016 3.697 -3.469 1.00 1.00 H new ATOM 0 HG2 GLU B 25 3.955 5.863 -3.030 1.00 1.00 H new ATOM 0 HG3 GLU B 25 3.612 5.598 -4.728 1.00 1.00 H new ATOM 960 N ALA B 26 1.784 3.582 -0.614 1.00 1.00 N ATOM 961 CA ALA B 26 0.994 4.095 0.503 1.00 1.00 C ATOM 962 C ALA B 26 1.577 3.611 1.819 1.00 1.00 C ATOM 963 O ALA B 26 1.439 4.263 2.855 1.00 1.00 O ATOM 964 CB ALA B 26 -0.460 3.674 0.378 1.00 1.00 C ATOM 0 H ALA B 26 1.368 2.785 -1.096 1.00 1.00 H new ATOM 0 HA ALA B 26 1.032 5.184 0.480 1.00 1.00 H new ATOM 0 HB1 ALA B 26 -1.027 4.068 1.221 1.00 1.00 H new ATOM 0 HB2 ALA B 26 -0.873 4.065 -0.552 1.00 1.00 H new ATOM 0 HB3 ALA B 26 -0.525 2.586 0.374 1.00 1.00 H new ATOM 970 N HIS B 27 2.227 2.453 1.769 1.00 1.00 N ATOM 971 CA HIS B 27 2.860 1.877 2.946 1.00 1.00 C ATOM 972 C HIS B 27 3.896 2.846 3.501 1.00 1.00 C ATOM 973 O HIS B 27 3.929 3.118 4.705 1.00 1.00 O ATOM 974 CB HIS B 27 3.516 0.540 2.598 1.00 1.00 C ATOM 975 CG HIS B 27 4.124 -0.145 3.775 1.00 1.00 C ATOM 976 ND1 HIS B 27 3.452 -1.041 4.577 1.00 1.00 N ATOM 977 CD2 HIS B 27 5.371 -0.043 4.285 1.00 1.00 C ATOM 978 CE1 HIS B 27 4.300 -1.444 5.532 1.00 1.00 C ATOM 979 NE2 HIS B 27 5.477 -0.864 5.394 1.00 1.00 N ATOM 0 H HIS B 27 2.328 1.894 0.922 1.00 1.00 H new ATOM 0 HA HIS B 27 2.098 1.699 3.705 1.00 1.00 H new ATOM 0 HB2 HIS B 27 2.770 -0.117 2.150 1.00 1.00 H new ATOM 0 HB3 HIS B 27 4.287 0.707 1.846 1.00 1.00 H new ATOM 0 HD1 HIS B 27 2.484 -1.343 4.464 1.00 1.00 H new ATOM 0 HD2 HIS B 27 6.160 0.580 3.890 1.00 1.00 H new ATOM 0 HE1 HIS B 27 4.053 -2.150 6.311 1.00 1.00 H new ATOM 987 N GLN B 28 4.719 3.382 2.603 1.00 1.00 N ATOM 988 CA GLN B 28 5.761 4.339 2.967 1.00 1.00 C ATOM 989 C GLN B 28 5.150 5.720 3.192 1.00 1.00 C ATOM 990 O GLN B 28 5.610 6.719 2.632 1.00 1.00 O ATOM 991 CB GLN B 28 6.823 4.412 1.867 1.00 1.00 C ATOM 992 CG GLN B 28 7.669 3.158 1.739 1.00 1.00 C ATOM 993 CD GLN B 28 9.104 3.385 2.175 1.00 1.00 C ATOM 994 OE1 GLN B 28 9.952 3.781 1.376 1.00 1.00 O ATOM 995 NE2 GLN B 28 9.389 3.129 3.439 1.00 1.00 N ATOM 0 H GLN B 28 4.683 3.167 1.607 1.00 1.00 H new ATOM 0 HA GLN B 28 6.233 4.005 3.891 1.00 1.00 H new ATOM 0 HB2 GLN B 28 6.331 4.604 0.914 1.00 1.00 H new ATOM 0 HB3 GLN B 28 7.478 5.261 2.065 1.00 1.00 H new ATOM 0 HG2 GLN B 28 7.230 2.363 2.342 1.00 1.00 H new ATOM 0 HG3 GLN B 28 7.656 2.817 0.704 1.00 1.00 H new ATOM 0 HE21 GLN B 28 8.658 2.802 4.071 1.00 1.00 H new ATOM 0 HE22 GLN B 28 10.340 3.258 3.784 1.00 1.00 H new ATOM 1004 N ALA B 29 4.107 5.757 4.007 1.00 1.00 N ATOM 1005 CA ALA B 29 3.400 6.988 4.320 1.00 1.00 C ATOM 1006 C ALA B 29 2.549 6.811 5.568 1.00 1.00 C ATOM 1007 O ALA B 29 2.473 7.701 6.415 1.00 1.00 O ATOM 1008 CB ALA B 29 2.523 7.410 3.148 1.00 1.00 C ATOM 0 H ALA B 29 3.727 4.932 4.471 1.00 1.00 H new ATOM 0 HA ALA B 29 4.138 7.768 4.507 1.00 1.00 H new ATOM 0 HB1 ALA B 29 2.001 8.333 3.398 1.00 1.00 H new ATOM 0 HB2 ALA B 29 3.145 7.572 2.268 1.00 1.00 H new ATOM 0 HB3 ALA B 29 1.795 6.627 2.938 1.00 1.00 H new ATOM 1014 N TYR B 30 1.899 5.660 5.670 1.00 1.00 N ATOM 1015 CA TYR B 30 1.041 5.371 6.809 1.00 1.00 C ATOM 1016 C TYR B 30 1.775 4.499 7.829 1.00 1.00 C ATOM 1017 O TYR B 30 1.700 4.741 9.033 1.00 1.00 O ATOM 1018 CB TYR B 30 -0.245 4.648 6.374 1.00 1.00 C ATOM 1019 CG TYR B 30 -1.082 5.321 5.288 1.00 1.00 C ATOM 1020 CD1 TYR B 30 -0.520 6.151 4.329 1.00 1.00 C ATOM 1021 CD2 TYR B 30 -2.453 5.089 5.217 1.00 1.00 C ATOM 1022 CE1 TYR B 30 -1.285 6.725 3.334 1.00 1.00 C ATOM 1023 CE2 TYR B 30 -3.226 5.665 4.225 1.00 1.00 C ATOM 1024 CZ TYR B 30 -2.636 6.484 3.287 1.00 1.00 C ATOM 1025 OH TYR B 30 -3.398 7.054 2.296 1.00 1.00 O ATOM 0 H TYR B 30 1.950 4.912 4.978 1.00 1.00 H new ATOM 0 HA TYR B 30 0.776 6.326 7.262 1.00 1.00 H new ATOM 0 HB2 TYR B 30 0.027 3.652 6.024 1.00 1.00 H new ATOM 0 HB3 TYR B 30 -0.874 4.516 7.254 1.00 1.00 H new ATOM 0 HD1 TYR B 30 0.541 6.353 4.362 1.00 1.00 H new ATOM 0 HD2 TYR B 30 -2.921 4.448 5.949 1.00 1.00 H new ATOM 0 HE1 TYR B 30 -0.822 7.362 2.595 1.00 1.00 H new ATOM 0 HE2 TYR B 30 -4.288 5.473 4.186 1.00 1.00 H new ATOM 0 HH TYR B 30 -4.092 7.616 2.699 1.00 1.00 H new ATOM 1035 N TYR B 31 2.492 3.489 7.335 1.00 1.00 N ATOM 1036 CA TYR B 31 3.219 2.563 8.200 1.00 1.00 C ATOM 1037 C TYR B 31 4.667 2.999 8.397 1.00 1.00 C ATOM 1038 O TYR B 31 5.168 3.018 9.522 1.00 1.00 O ATOM 1039 CB TYR B 31 3.181 1.151 7.612 1.00 1.00 C ATOM 1040 CG TYR B 31 2.821 0.079 8.615 1.00 1.00 C ATOM 1041 CD1 TYR B 31 1.496 -0.171 8.941 1.00 1.00 C ATOM 1042 CD2 TYR B 31 3.803 -0.690 9.225 1.00 1.00 C ATOM 1043 CE1 TYR B 31 1.156 -1.155 9.848 1.00 1.00 C ATOM 1044 CE2 TYR B 31 3.473 -1.676 10.135 1.00 1.00 C ATOM 1045 CZ TYR B 31 2.148 -1.905 10.441 1.00 1.00 C ATOM 1046 OH TYR B 31 1.814 -2.890 11.345 1.00 1.00 O ATOM 0 H TYR B 31 2.584 3.292 6.338 1.00 1.00 H new ATOM 0 HA TYR B 31 2.728 2.567 9.173 1.00 1.00 H new ATOM 0 HB2 TYR B 31 2.460 1.128 6.795 1.00 1.00 H new ATOM 0 HB3 TYR B 31 4.156 0.920 7.183 1.00 1.00 H new ATOM 0 HD1 TYR B 31 0.716 0.415 8.477 1.00 1.00 H new ATOM 0 HD2 TYR B 31 4.841 -0.515 8.984 1.00 1.00 H new ATOM 0 HE1 TYR B 31 0.119 -1.336 10.091 1.00 1.00 H new ATOM 0 HE2 TYR B 31 4.248 -2.264 10.604 1.00 1.00 H new ATOM 0 HH TYR B 31 2.629 -3.326 11.670 1.00 1.00 H new ATOM 1056 N CYS B 32 5.351 3.314 7.305 1.00 1.00 N ATOM 1057 CA CYS B 32 6.732 3.757 7.384 1.00 1.00 C ATOM 1058 C CYS B 32 6.792 5.204 7.871 1.00 1.00 C ATOM 1059 O CYS B 32 6.878 6.138 7.065 1.00 1.00 O ATOM 1060 CB CYS B 32 7.417 3.635 6.023 1.00 1.00 C ATOM 1061 SG CYS B 32 7.508 1.940 5.361 1.00 1.00 S ATOM 0 H CYS B 32 4.972 3.271 6.359 1.00 1.00 H new ATOM 0 HA CYS B 32 7.258 3.119 8.094 1.00 1.00 H new ATOM 0 HB2 CYS B 32 6.885 4.261 5.307 1.00 1.00 H new ATOM 0 HB3 CYS B 32 8.429 4.033 6.104 1.00 1.00 H new ATOM 1066 N SER B 33 6.718 5.369 9.190 1.00 1.00 N ATOM 1067 CA SER B 33 6.755 6.679 9.830 1.00 1.00 C ATOM 1068 C SER B 33 5.490 7.477 9.513 1.00 1.00 C ATOM 1069 O SER B 33 4.431 7.221 10.093 1.00 1.00 O ATOM 1070 CB SER B 33 8.013 7.452 9.419 1.00 1.00 C ATOM 1071 OG SER B 33 9.178 6.665 9.615 1.00 1.00 O ATOM 0 H SER B 33 6.630 4.593 9.846 1.00 1.00 H new ATOM 0 HA SER B 33 6.793 6.528 10.909 1.00 1.00 H new ATOM 0 HB2 SER B 33 7.939 7.745 8.372 1.00 1.00 H new ATOM 0 HB3 SER B 33 8.087 8.370 10.002 1.00 1.00 H new ATOM 0 HG SER B 33 9.968 7.178 9.345 1.00 1.00 H new ATOM 1077 N HIS B 34 5.594 8.426 8.589 1.00 1.00 N ATOM 1078 CA HIS B 34 4.458 9.252 8.212 1.00 1.00 C ATOM 1079 C HIS B 34 4.785 10.078 6.978 1.00 1.00 C ATOM 1080 O HIS B 34 5.871 10.643 6.867 1.00 1.00 O ATOM 1081 CB HIS B 34 4.065 10.188 9.359 1.00 1.00 C ATOM 1082 CG HIS B 34 2.600 10.508 9.415 1.00 1.00 C ATOM 1083 ND1 HIS B 34 1.880 10.507 10.588 1.00 1.00 N ATOM 1084 CD2 HIS B 34 1.722 10.851 8.439 1.00 1.00 C ATOM 1085 CE1 HIS B 34 0.625 10.834 10.334 1.00 1.00 C ATOM 1086 NE2 HIS B 34 0.503 11.047 9.037 1.00 1.00 N ATOM 0 H HIS B 34 6.456 8.641 8.088 1.00 1.00 H new ATOM 0 HA HIS B 34 3.622 8.589 7.990 1.00 1.00 H new ATOM 0 HB2 HIS B 34 4.363 9.732 10.303 1.00 1.00 H new ATOM 0 HB3 HIS B 34 4.626 11.118 9.263 1.00 1.00 H new ATOM 0 HD2 HIS B 34 1.942 10.951 7.386 1.00 1.00 H new ATOM 0 HE1 HIS B 34 -0.167 10.914 11.064 1.00 1.00 H new ATOM 0 HE2 HIS B 34 -0.357 11.314 8.558 1.00 1.00 H new ATOM 1095 N ARG B 35 3.844 10.124 6.054 1.00 1.00 N ATOM 1096 CA ARG B 35 3.986 10.893 4.830 1.00 1.00 C ATOM 1097 C ARG B 35 2.608 11.349 4.377 1.00 1.00 C ATOM 1098 O ARG B 35 1.614 10.661 4.623 1.00 1.00 O ATOM 1099 CB ARG B 35 4.650 10.055 3.736 1.00 1.00 C ATOM 1100 CG ARG B 35 5.095 10.860 2.529 1.00 1.00 C ATOM 1101 CD ARG B 35 5.283 9.971 1.312 1.00 1.00 C ATOM 1102 NE ARG B 35 4.064 9.874 0.503 1.00 1.00 N ATOM 1103 CZ ARG B 35 3.618 8.743 -0.048 1.00 1.00 C ATOM 1104 NH1 ARG B 35 4.250 7.600 0.181 1.00 1.00 N ATOM 1105 NH2 ARG B 35 2.528 8.757 -0.805 1.00 1.00 N ATOM 0 H ARG B 35 2.956 9.628 6.131 1.00 1.00 H new ATOM 0 HA ARG B 35 4.621 11.759 5.020 1.00 1.00 H new ATOM 0 HB2 ARG B 35 5.515 9.544 4.158 1.00 1.00 H new ATOM 0 HB3 ARG B 35 3.952 9.284 3.409 1.00 1.00 H new ATOM 0 HG2 ARG B 35 4.355 11.629 2.309 1.00 1.00 H new ATOM 0 HG3 ARG B 35 6.030 11.373 2.756 1.00 1.00 H new ATOM 0 HD2 ARG B 35 6.094 10.364 0.699 1.00 1.00 H new ATOM 0 HD3 ARG B 35 5.583 8.974 1.635 1.00 1.00 H new ATOM 0 HE ARG B 35 3.522 10.725 0.352 1.00 1.00 H new ATOM 0 HH11 ARG B 35 5.077 7.585 0.778 1.00 1.00 H new ATOM 0 HH12 ARG B 35 3.909 6.736 -0.240 1.00 1.00 H new ATOM 0 HH21 ARG B 35 2.030 9.633 -0.966 1.00 1.00 H new ATOM 0 HH22 ARG B 35 2.188 7.892 -1.226 1.00 1.00 H new ATOM 1119 N ILE B 36 2.543 12.505 3.743 1.00 1.00 N ATOM 1120 CA ILE B 36 1.276 13.042 3.270 1.00 1.00 C ATOM 1121 C ILE B 36 1.159 12.890 1.761 1.00 1.00 C ATOM 1122 O ILE B 36 2.053 13.380 1.041 1.00 1.00 O ATOM 1123 CB ILE B 36 1.103 14.526 3.660 1.00 1.00 C ATOM 1124 CG1 ILE B 36 2.394 15.308 3.398 1.00 1.00 C ATOM 1125 CG2 ILE B 36 0.687 14.635 5.119 1.00 1.00 C ATOM 1126 CD1 ILE B 36 2.307 16.774 3.764 1.00 1.00 C ATOM 1127 OXT ILE B 36 0.180 12.274 1.292 1.00 1.00 O ATOM 0 H ILE B 36 3.352 13.092 3.542 1.00 1.00 H new ATOM 0 HA ILE B 36 0.483 12.470 3.752 1.00 1.00 H new ATOM 0 HB ILE B 36 0.318 14.963 3.043 1.00 1.00 H new ATOM 0 HG12 ILE B 36 3.206 14.850 3.963 1.00 1.00 H new ATOM 0 HG13 ILE B 36 2.652 15.222 2.342 1.00 1.00 H new ATOM 0 HG21 ILE B 36 0.567 15.685 5.386 1.00 1.00 H new ATOM 0 HG22 ILE B 36 -0.258 14.113 5.268 1.00 1.00 H new ATOM 0 HG23 ILE B 36 1.453 14.185 5.750 1.00 1.00 H new ATOM 0 HD11 ILE B 36 3.259 17.260 3.550 1.00 1.00 H new ATOM 0 HD12 ILE B 36 1.518 17.249 3.180 1.00 1.00 H new ATOM 0 HD13 ILE B 36 2.081 16.871 4.826 1.00 1.00 H new TER 1139 ILE B 36 HETATM 1140 ZN ZN A 244 -5.649 -2.674 5.009 1.00 1.00 ZN HETATM 1141 ZN ZN B 37 7.294 -0.344 5.670 1.00 1.00 ZN