USER MOD reduce.3.24.130724 H: found=0, std=0, add=539, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 532 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 11 CYS SG : rot -156:sc= -1.15! USER MOD Set 1.2: B 14 CYS SG : rot -160:sc= 1.36 USER MOD Set 1.3: B 27 HIS : no HD1:sc= -2.86! C(o=-2.4!,f=-3.2!) USER MOD Set 1.4: B 32 CYS SG : rot 44:sc= 0.273 USER MOD Set 2.1: A 226 ASN : amide:sc= 1.02 K(o=2.3,f=-8.2!) USER MOD Set 2.2: A 233 LYS NZ :NH3+ 139:sc= 1.25 (180deg=0) USER MOD Set 3.1: A 222 HIS : no HD1:sc= -1.16! C(o=-1.2!,f=-7.6!) USER MOD Set 3.2: A 232 HIS : no HE2:sc= -1.35 K(o=-1.2,f=-8.5!) USER MOD Set 3.3: A 238 ASN :FLIP amide:sc= 0.237 F(o=-4.8!,f=-1.2) USER MOD Set 3.4: B 30 TYR OH : rot 167:sc= 1.06 USER MOD Set 4.1: A 204 CYS SG : rot -159:sc= 1.64 USER MOD Set 4.2: A 207 CYS SG : rot -96:sc= -0.278 USER MOD Set 4.3: A 225 CYS SG : rot -163:sc= -0.091 USER MOD Set 4.4: A 228 CYS SG : rot 68:sc= 0.0323 USER MOD Set 5.1: A 223 TYR OH : rot 30:sc= 0.23 USER MOD Set 5.2: B 22 SER OG : rot 146:sc= 0.369 USER MOD Single : A 206 ASN :FLIP amide:sc= -0.0155 F(o=-1.7,f=-0.016) USER MOD Single : A 210 THR OG1 : rot -160:sc= 0.944 USER MOD Single : A 212 THR OG1 : rot -121:sc= 1.09 USER MOD Single : A 220 THR OG1 : rot 102:sc= 1.32 USER MOD Single : A 231 TYR OH : rot 180:sc= 0 USER MOD Single : A 234 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 235 ASN : amide:sc= -0.378 K(o=-0.38,f=-1.8) USER MOD Single : A 237 GLN : amide:sc=-0.00123 K(o=-0.0012,f=-1.9!) 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 -167:sc= 0 (180deg=-0.106) USER MOD Single : B 19 SER OG : rot 180:sc= 0 USER MOD Single : B 20 SER OG : rot 111:sc= 1.22 USER MOD Single : B 23 THR OG1 : rot -81:sc= -1.65! USER MOD Single : B 28 GLN : amide:sc= 0.833 K(o=0.83,f=0) USER MOD Single : B 31 TYR OH : rot 57:sc= 1.22 USER MOD Single : B 33 SER OG : rot 180:sc= 0 USER MOD Single : B 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 200 -2.277 -15.452 0.332 1.00 1.00 N ATOM 2 CA GLU A 200 -2.678 -14.032 0.381 1.00 1.00 C ATOM 3 C GLU A 200 -2.964 -13.510 -1.021 1.00 1.00 C ATOM 4 O GLU A 200 -2.188 -13.741 -1.948 1.00 1.00 O ATOM 5 CB GLU A 200 -1.573 -13.191 1.024 1.00 1.00 C ATOM 6 CG GLU A 200 -1.253 -13.589 2.456 1.00 1.00 C ATOM 7 CD GLU A 200 -2.486 -13.667 3.330 1.00 1.00 C ATOM 8 OE1 GLU A 200 -3.153 -14.720 3.327 1.00 1.00 O ATOM 9 OE2 GLU A 200 -2.801 -12.671 4.014 1.00 1.00 O ATOM 0 HA GLU A 200 -3.585 -13.954 0.981 1.00 1.00 H new ATOM 0 HB2 GLU A 200 -0.668 -13.276 0.422 1.00 1.00 H new ATOM 0 HB3 GLU A 200 -1.870 -12.143 1.006 1.00 1.00 H new ATOM 0 HG2 GLU A 200 -0.751 -14.556 2.456 1.00 1.00 H new ATOM 0 HG3 GLU A 200 -0.556 -12.868 2.882 1.00 1.00 H new ATOM 16 N ALA A 201 -4.086 -12.816 -1.183 1.00 1.00 N ATOM 17 CA ALA A 201 -4.452 -12.256 -2.478 1.00 1.00 C ATOM 18 C ALA A 201 -3.500 -11.129 -2.864 1.00 1.00 C ATOM 19 O ALA A 201 -3.056 -11.040 -4.008 1.00 1.00 O ATOM 20 CB ALA A 201 -5.886 -11.757 -2.456 1.00 1.00 C ATOM 0 H ALA A 201 -4.755 -12.629 -0.436 1.00 1.00 H new ATOM 0 HA ALA A 201 -4.373 -13.044 -3.227 1.00 1.00 H new ATOM 0 HB1 ALA A 201 -6.142 -11.342 -3.431 1.00 1.00 H new ATOM 0 HB2 ALA A 201 -6.556 -12.586 -2.227 1.00 1.00 H new ATOM 0 HB3 ALA A 201 -5.991 -10.984 -1.694 1.00 1.00 H new ATOM 26 N ARG A 202 -3.189 -10.275 -1.900 1.00 1.00 N ATOM 27 CA ARG A 202 -2.280 -9.159 -2.123 1.00 1.00 C ATOM 28 C ARG A 202 -1.771 -8.642 -0.783 1.00 1.00 C ATOM 29 O ARG A 202 -2.275 -9.047 0.267 1.00 1.00 O ATOM 30 CB ARG A 202 -2.979 -8.036 -2.906 1.00 1.00 C ATOM 31 CG ARG A 202 -2.016 -7.082 -3.608 1.00 1.00 C ATOM 32 CD ARG A 202 -1.518 -7.632 -4.941 1.00 1.00 C ATOM 33 NE ARG A 202 -1.269 -9.076 -4.906 1.00 1.00 N ATOM 34 CZ ARG A 202 -0.134 -9.653 -5.297 1.00 1.00 C ATOM 35 NH1 ARG A 202 0.893 -8.917 -5.698 1.00 1.00 N ATOM 36 NH2 ARG A 202 -0.014 -10.975 -5.268 1.00 1.00 N ATOM 0 H ARG A 202 -3.555 -10.334 -0.950 1.00 1.00 H new ATOM 0 HA ARG A 202 -1.434 -9.504 -2.717 1.00 1.00 H new ATOM 0 HB2 ARG A 202 -3.640 -8.481 -3.649 1.00 1.00 H new ATOM 0 HB3 ARG A 202 -3.607 -7.465 -2.222 1.00 1.00 H new ATOM 0 HG2 ARG A 202 -2.513 -6.127 -3.776 1.00 1.00 H new ATOM 0 HG3 ARG A 202 -1.163 -6.887 -2.957 1.00 1.00 H new ATOM 0 HD2 ARG A 202 -2.253 -7.414 -5.715 1.00 1.00 H new ATOM 0 HD3 ARG A 202 -0.599 -7.117 -5.220 1.00 1.00 H new ATOM 0 HE ARG A 202 -2.015 -9.679 -4.559 1.00 1.00 H new ATOM 0 HH11 ARG A 202 0.818 -7.900 -5.709 1.00 1.00 H new ATOM 0 HH12 ARG A 202 1.758 -9.368 -5.996 1.00 1.00 H new ATOM 0 HH21 ARG A 202 -0.792 -11.551 -4.946 1.00 1.00 H new ATOM 0 HH22 ARG A 202 0.856 -11.415 -5.568 1.00 1.00 H new ATOM 50 N GLU A 203 -0.771 -7.775 -0.819 1.00 1.00 N ATOM 51 CA GLU A 203 -0.203 -7.214 0.396 1.00 1.00 C ATOM 52 C GLU A 203 -0.721 -5.799 0.627 1.00 1.00 C ATOM 53 O GLU A 203 -0.940 -5.045 -0.321 1.00 1.00 O ATOM 54 CB GLU A 203 1.329 -7.200 0.329 1.00 1.00 C ATOM 55 CG GLU A 203 1.917 -7.946 -0.863 1.00 1.00 C ATOM 56 CD GLU A 203 1.963 -7.100 -2.122 1.00 1.00 C ATOM 57 OE1 GLU A 203 0.983 -7.117 -2.894 1.00 1.00 O ATOM 58 OE2 GLU A 203 2.982 -6.422 -2.349 1.00 1.00 O ATOM 0 H GLU A 203 -0.335 -7.444 -1.680 1.00 1.00 H new ATOM 0 HA GLU A 203 -0.510 -7.845 1.230 1.00 1.00 H new ATOM 0 HB2 GLU A 203 1.669 -6.165 0.297 1.00 1.00 H new ATOM 0 HB3 GLU A 203 1.724 -7.637 1.246 1.00 1.00 H new ATOM 0 HG2 GLU A 203 2.926 -8.278 -0.617 1.00 1.00 H new ATOM 0 HG3 GLU A 203 1.325 -8.841 -1.054 1.00 1.00 H new ATOM 65 N CYS A 204 -0.925 -5.449 1.889 1.00 1.00 N ATOM 66 CA CYS A 204 -1.406 -4.128 2.249 1.00 1.00 C ATOM 67 C CYS A 204 -0.333 -3.374 3.025 1.00 1.00 C ATOM 68 O CYS A 204 0.639 -3.958 3.506 1.00 1.00 O ATOM 69 CB CYS A 204 -2.692 -4.223 3.082 1.00 1.00 C ATOM 70 SG CYS A 204 -3.384 -2.614 3.616 1.00 1.00 S ATOM 0 H CYS A 204 -0.763 -6.068 2.683 1.00 1.00 H new ATOM 0 HA CYS A 204 -1.632 -3.583 1.332 1.00 1.00 H new ATOM 0 HB2 CYS A 204 -3.447 -4.752 2.500 1.00 1.00 H new ATOM 0 HB3 CYS A 204 -2.491 -4.827 3.967 1.00 1.00 H new ATOM 0 HG CYS A 204 -4.169 -2.796 4.636 1.00 1.00 H new ATOM 75 N VAL A 205 -0.534 -2.078 3.146 1.00 1.00 N ATOM 76 CA VAL A 205 0.386 -1.205 3.851 1.00 1.00 C ATOM 77 C VAL A 205 -0.091 -0.984 5.272 1.00 1.00 C ATOM 78 O VAL A 205 0.704 -0.852 6.204 1.00 1.00 O ATOM 79 CB VAL A 205 0.494 0.172 3.142 1.00 1.00 C ATOM 80 CG1 VAL A 205 -0.740 0.427 2.289 1.00 1.00 C ATOM 81 CG2 VAL A 205 0.672 1.311 4.146 1.00 1.00 C ATOM 0 H VAL A 205 -1.344 -1.597 2.756 1.00 1.00 H new ATOM 0 HA VAL A 205 1.365 -1.685 3.856 1.00 1.00 H new ATOM 0 HB VAL A 205 1.377 0.142 2.503 1.00 1.00 H new ATOM 0 HG11 VAL A 205 -0.649 1.396 1.798 1.00 1.00 H new ATOM 0 HG12 VAL A 205 -0.829 -0.355 1.535 1.00 1.00 H new ATOM 0 HG13 VAL A 205 -1.627 0.422 2.922 1.00 1.00 H new ATOM 0 HG21 VAL A 205 0.744 2.259 3.612 1.00 1.00 H new ATOM 0 HG22 VAL A 205 -0.184 1.338 4.821 1.00 1.00 H new ATOM 0 HG23 VAL A 205 1.583 1.149 4.722 1.00 1.00 H new ATOM 91 N ASN A 206 -1.400 -0.977 5.424 1.00 1.00 N ATOM 92 CA ASN A 206 -2.013 -0.702 6.701 1.00 1.00 C ATOM 93 C ASN A 206 -2.224 -1.972 7.517 1.00 1.00 C ATOM 94 O ASN A 206 -2.237 -1.921 8.748 1.00 1.00 O ATOM 95 CB ASN A 206 -3.321 0.055 6.478 1.00 1.00 C ATOM 96 CG ASN A 206 -3.097 1.535 6.197 1.00 1.00 C ATOM 97 OD1 ASN A 206 -2.714 1.883 4.962 1.00 1.00 O flip ATOM 98 ND2 ASN A 206 -3.251 2.367 7.089 1.00 1.00 N flip ATOM 0 H ASN A 206 -2.062 -1.161 4.670 1.00 1.00 H new ATOM 0 HA ASN A 206 -1.339 -0.077 7.287 1.00 1.00 H new ATOM 0 HB2 ASN A 206 -3.858 -0.393 5.642 1.00 1.00 H new ATOM 0 HB3 ASN A 206 -3.954 -0.053 7.359 1.00 1.00 H new ATOM 0 HD21 ASN A 206 -3.544 2.069 8.020 1.00 1.00 H new ATOM 0 HD22 ASN A 206 -3.086 3.355 6.898 1.00 1.00 H new ATOM 105 N CYS A 207 -2.389 -3.107 6.848 1.00 1.00 N ATOM 106 CA CYS A 207 -2.568 -4.368 7.557 1.00 1.00 C ATOM 107 C CYS A 207 -1.574 -5.414 7.057 1.00 1.00 C ATOM 108 O CYS A 207 -0.886 -6.065 7.845 1.00 1.00 O ATOM 109 CB CYS A 207 -4.008 -4.881 7.415 1.00 1.00 C ATOM 110 SG CYS A 207 -4.541 -5.203 5.701 1.00 1.00 S ATOM 0 H CYS A 207 -2.403 -3.181 5.831 1.00 1.00 H new ATOM 0 HA CYS A 207 -2.376 -4.188 8.615 1.00 1.00 H new ATOM 0 HB2 CYS A 207 -4.109 -5.801 7.991 1.00 1.00 H new ATOM 0 HB3 CYS A 207 -4.684 -4.151 7.860 1.00 1.00 H new ATOM 0 HG CYS A 207 -5.190 -4.172 5.247 1.00 1.00 H new ATOM 115 N GLY A 208 -1.517 -5.574 5.744 1.00 1.00 N ATOM 116 CA GLY A 208 -0.608 -6.530 5.145 1.00 1.00 C ATOM 117 C GLY A 208 -1.207 -7.913 5.072 1.00 1.00 C ATOM 118 O GLY A 208 -0.490 -8.907 4.952 1.00 1.00 O ATOM 0 H GLY A 208 -2.088 -5.055 5.078 1.00 1.00 H new ATOM 0 HA2 GLY A 208 -0.342 -6.197 4.142 1.00 1.00 H new ATOM 0 HA3 GLY A 208 0.314 -6.565 5.725 1.00 1.00 H new ATOM 122 N ALA A 209 -2.527 -7.976 5.143 1.00 1.00 N ATOM 123 CA ALA A 209 -3.236 -9.243 5.082 1.00 1.00 C ATOM 124 C ALA A 209 -4.421 -9.143 4.132 1.00 1.00 C ATOM 125 O ALA A 209 -4.892 -8.044 3.832 1.00 1.00 O ATOM 126 CB ALA A 209 -3.704 -9.657 6.469 1.00 1.00 C ATOM 0 H ALA A 209 -3.131 -7.160 5.243 1.00 1.00 H new ATOM 0 HA ALA A 209 -2.552 -10.004 4.705 1.00 1.00 H new ATOM 0 HB1 ALA A 209 -4.233 -10.608 6.406 1.00 1.00 H new ATOM 0 HB2 ALA A 209 -2.842 -9.765 7.127 1.00 1.00 H new ATOM 0 HB3 ALA A 209 -4.373 -8.895 6.870 1.00 1.00 H new ATOM 132 N THR A 210 -4.904 -10.281 3.660 1.00 1.00 N ATOM 133 CA THR A 210 -6.036 -10.297 2.745 1.00 1.00 C ATOM 134 C THR A 210 -7.325 -10.700 3.473 1.00 1.00 C ATOM 135 O THR A 210 -7.907 -11.758 3.230 1.00 1.00 O ATOM 136 CB THR A 210 -5.758 -11.217 1.529 1.00 1.00 C ATOM 137 OG1 THR A 210 -6.873 -11.221 0.631 1.00 1.00 O ATOM 138 CG2 THR A 210 -5.446 -12.640 1.960 1.00 1.00 C ATOM 0 H THR A 210 -4.533 -11.202 3.893 1.00 1.00 H new ATOM 0 HA THR A 210 -6.176 -9.285 2.364 1.00 1.00 H new ATOM 0 HB THR A 210 -4.884 -10.815 1.017 1.00 1.00 H new ATOM 0 HG1 THR A 210 -6.830 -12.016 0.059 1.00 1.00 H new ATOM 0 HG21 THR A 210 -5.257 -13.254 1.079 1.00 1.00 H new ATOM 0 HG22 THR A 210 -4.563 -12.641 2.599 1.00 1.00 H new ATOM 0 HG23 THR A 210 -6.294 -13.047 2.511 1.00 1.00 H new ATOM 146 N ALA A 211 -7.770 -9.831 4.370 1.00 1.00 N ATOM 147 CA ALA A 211 -8.979 -10.078 5.142 1.00 1.00 C ATOM 148 C ALA A 211 -10.203 -9.589 4.384 1.00 1.00 C ATOM 149 O ALA A 211 -11.337 -9.969 4.687 1.00 1.00 O ATOM 150 CB ALA A 211 -8.886 -9.395 6.498 1.00 1.00 C ATOM 0 H ALA A 211 -7.310 -8.946 4.581 1.00 1.00 H new ATOM 0 HA ALA A 211 -9.078 -11.152 5.299 1.00 1.00 H new ATOM 0 HB1 ALA A 211 -9.796 -9.587 7.066 1.00 1.00 H new ATOM 0 HB2 ALA A 211 -8.028 -9.787 7.045 1.00 1.00 H new ATOM 0 HB3 ALA A 211 -8.767 -8.321 6.357 1.00 1.00 H new ATOM 156 N THR A 212 -9.958 -8.740 3.401 1.00 1.00 N ATOM 157 CA THR A 212 -11.019 -8.180 2.581 1.00 1.00 C ATOM 158 C THR A 212 -11.575 -9.221 1.609 1.00 1.00 C ATOM 159 O THR A 212 -10.834 -10.057 1.086 1.00 1.00 O ATOM 160 CB THR A 212 -10.510 -6.954 1.785 1.00 1.00 C ATOM 161 OG1 THR A 212 -11.594 -6.295 1.119 1.00 1.00 O ATOM 162 CG2 THR A 212 -9.463 -7.364 0.761 1.00 1.00 C ATOM 0 H THR A 212 -9.023 -8.420 3.149 1.00 1.00 H new ATOM 0 HA THR A 212 -11.817 -7.865 3.253 1.00 1.00 H new ATOM 0 HB THR A 212 -10.056 -6.266 2.498 1.00 1.00 H new ATOM 0 HG1 THR A 212 -11.424 -6.280 0.154 1.00 1.00 H new ATOM 0 HG21 THR A 212 -9.123 -6.483 0.216 1.00 1.00 H new ATOM 0 HG22 THR A 212 -8.617 -7.825 1.270 1.00 1.00 H new ATOM 0 HG23 THR A 212 -9.898 -8.078 0.062 1.00 1.00 H new ATOM 170 N PRO A 213 -12.897 -9.199 1.375 1.00 1.00 N ATOM 171 CA PRO A 213 -13.543 -10.121 0.442 1.00 1.00 C ATOM 172 C PRO A 213 -13.221 -9.767 -1.008 1.00 1.00 C ATOM 173 O PRO A 213 -13.429 -10.569 -1.918 1.00 1.00 O ATOM 174 CB PRO A 213 -15.035 -9.933 0.728 1.00 1.00 C ATOM 175 CG PRO A 213 -15.148 -8.552 1.275 1.00 1.00 C ATOM 176 CD PRO A 213 -13.868 -8.294 2.024 1.00 1.00 C ATOM 0 HA PRO A 213 -13.207 -11.150 0.572 1.00 1.00 H new ATOM 0 HB2 PRO A 213 -15.629 -10.049 -0.179 1.00 1.00 H new ATOM 0 HB3 PRO A 213 -15.397 -10.672 1.443 1.00 1.00 H new ATOM 0 HG2 PRO A 213 -15.284 -7.825 0.474 1.00 1.00 H new ATOM 0 HG3 PRO A 213 -16.011 -8.464 1.935 1.00 1.00 H new ATOM 0 HD2 PRO A 213 -13.560 -7.252 1.944 1.00 1.00 H new ATOM 0 HD3 PRO A 213 -13.974 -8.515 3.086 1.00 1.00 H new ATOM 184 N LEU A 214 -12.710 -8.556 -1.209 1.00 1.00 N ATOM 185 CA LEU A 214 -12.345 -8.078 -2.534 1.00 1.00 C ATOM 186 C LEU A 214 -11.371 -6.911 -2.412 1.00 1.00 C ATOM 187 O LEU A 214 -11.579 -6.006 -1.603 1.00 1.00 O ATOM 188 CB LEU A 214 -13.595 -7.642 -3.311 1.00 1.00 C ATOM 189 CG LEU A 214 -13.350 -7.215 -4.762 1.00 1.00 C ATOM 190 CD1 LEU A 214 -12.806 -8.380 -5.580 1.00 1.00 C ATOM 191 CD2 LEU A 214 -14.632 -6.675 -5.378 1.00 1.00 C ATOM 0 H LEU A 214 -12.539 -7.884 -0.461 1.00 1.00 H new ATOM 0 HA LEU A 214 -11.865 -8.890 -3.080 1.00 1.00 H new ATOM 0 HB2 LEU A 214 -14.310 -8.465 -3.308 1.00 1.00 H new ATOM 0 HB3 LEU A 214 -14.062 -6.813 -2.780 1.00 1.00 H new ATOM 0 HG LEU A 214 -12.604 -6.420 -4.768 1.00 1.00 H new ATOM 0 HD11 LEU A 214 -12.639 -8.056 -6.607 1.00 1.00 H new ATOM 0 HD12 LEU A 214 -11.864 -8.719 -5.148 1.00 1.00 H new ATOM 0 HD13 LEU A 214 -13.525 -9.199 -5.570 1.00 1.00 H new ATOM 0 HD21 LEU A 214 -14.442 -6.376 -6.409 1.00 1.00 H new ATOM 0 HD22 LEU A 214 -15.399 -7.450 -5.360 1.00 1.00 H new ATOM 0 HD23 LEU A 214 -14.975 -5.812 -4.807 1.00 1.00 H new ATOM 203 N TRP A 215 -10.302 -6.950 -3.192 1.00 1.00 N ATOM 204 CA TRP A 215 -9.300 -5.891 -3.179 1.00 1.00 C ATOM 205 C TRP A 215 -9.665 -4.825 -4.200 1.00 1.00 C ATOM 206 O TRP A 215 -10.271 -5.130 -5.228 1.00 1.00 O ATOM 207 CB TRP A 215 -7.913 -6.463 -3.492 1.00 1.00 C ATOM 208 CG TRP A 215 -7.309 -7.222 -2.352 1.00 1.00 C ATOM 209 CD1 TRP A 215 -7.574 -8.512 -1.993 1.00 1.00 C ATOM 210 CD2 TRP A 215 -6.338 -6.736 -1.420 1.00 1.00 C ATOM 211 NE1 TRP A 215 -6.832 -8.855 -0.890 1.00 1.00 N ATOM 212 CE2 TRP A 215 -6.063 -7.781 -0.520 1.00 1.00 C ATOM 213 CE3 TRP A 215 -5.676 -5.516 -1.258 1.00 1.00 C ATOM 214 CZ2 TRP A 215 -5.155 -7.644 0.525 1.00 1.00 C ATOM 215 CZ3 TRP A 215 -4.774 -5.382 -0.221 1.00 1.00 C ATOM 216 CH2 TRP A 215 -4.521 -6.440 0.660 1.00 1.00 C ATOM 0 H TRP A 215 -10.104 -7.707 -3.846 1.00 1.00 H new ATOM 0 HA TRP A 215 -9.275 -5.443 -2.185 1.00 1.00 H new ATOM 0 HB2 TRP A 215 -7.987 -7.121 -4.358 1.00 1.00 H new ATOM 0 HB3 TRP A 215 -7.246 -5.647 -3.769 1.00 1.00 H new ATOM 0 HD1 TRP A 215 -8.266 -9.167 -2.502 1.00 1.00 H new ATOM 0 HE1 TRP A 215 -6.850 -9.761 -0.422 1.00 1.00 H new ATOM 0 HE3 TRP A 215 -5.866 -4.693 -1.931 1.00 1.00 H new ATOM 0 HZ2 TRP A 215 -4.958 -8.459 1.205 1.00 1.00 H new ATOM 0 HZ3 TRP A 215 -4.255 -4.445 -0.087 1.00 1.00 H new ATOM 0 HH2 TRP A 215 -3.811 -6.303 1.462 1.00 1.00 H new ATOM 227 N ARG A 216 -9.315 -3.578 -3.915 1.00 1.00 N ATOM 228 CA ARG A 216 -9.610 -2.481 -4.825 1.00 1.00 C ATOM 229 C ARG A 216 -8.324 -1.836 -5.318 1.00 1.00 C ATOM 230 O ARG A 216 -7.281 -1.937 -4.672 1.00 1.00 O ATOM 231 CB ARG A 216 -10.504 -1.425 -4.164 1.00 1.00 C ATOM 232 CG ARG A 216 -11.947 -1.871 -3.951 1.00 1.00 C ATOM 233 CD ARG A 216 -12.454 -2.758 -5.083 1.00 1.00 C ATOM 234 NE ARG A 216 -12.390 -2.106 -6.398 1.00 1.00 N ATOM 235 CZ ARG A 216 -11.856 -2.674 -7.483 1.00 1.00 C ATOM 236 NH1 ARG A 216 -11.293 -3.871 -7.393 1.00 1.00 N ATOM 237 NH2 ARG A 216 -11.866 -2.038 -8.649 1.00 1.00 N ATOM 0 H ARG A 216 -8.828 -3.302 -3.063 1.00 1.00 H new ATOM 0 HA ARG A 216 -10.150 -2.898 -5.675 1.00 1.00 H new ATOM 0 HB2 ARG A 216 -10.074 -1.153 -3.200 1.00 1.00 H new ATOM 0 HB3 ARG A 216 -10.501 -0.526 -4.780 1.00 1.00 H new ATOM 0 HG2 ARG A 216 -12.022 -2.412 -3.008 1.00 1.00 H new ATOM 0 HG3 ARG A 216 -12.587 -0.993 -3.866 1.00 1.00 H new ATOM 0 HD2 ARG A 216 -11.865 -3.675 -5.110 1.00 1.00 H new ATOM 0 HD3 ARG A 216 -13.485 -3.047 -4.877 1.00 1.00 H new ATOM 0 HE ARG A 216 -12.775 -1.166 -6.488 1.00 1.00 H new ATOM 0 HH11 ARG A 216 -11.268 -4.357 -6.496 1.00 1.00 H new ATOM 0 HH12 ARG A 216 -10.885 -4.306 -8.220 1.00 1.00 H new ATOM 0 HH21 ARG A 216 -12.283 -1.110 -8.720 1.00 1.00 H new ATOM 0 HH22 ARG A 216 -11.456 -2.478 -9.473 1.00 1.00 H new ATOM 251 N ARG A 217 -8.406 -1.187 -6.470 1.00 1.00 N ATOM 252 CA ARG A 217 -7.257 -0.524 -7.062 1.00 1.00 C ATOM 253 C ARG A 217 -7.661 0.829 -7.630 1.00 1.00 C ATOM 254 O ARG A 217 -8.828 1.218 -7.563 1.00 1.00 O ATOM 255 CB ARG A 217 -6.648 -1.394 -8.162 1.00 1.00 C ATOM 256 CG ARG A 217 -5.812 -2.545 -7.632 1.00 1.00 C ATOM 257 CD ARG A 217 -5.435 -3.511 -8.740 1.00 1.00 C ATOM 258 NE ARG A 217 -4.789 -2.832 -9.862 1.00 1.00 N ATOM 259 CZ ARG A 217 -4.348 -3.448 -10.956 1.00 1.00 C ATOM 260 NH1 ARG A 217 -4.416 -4.768 -11.060 1.00 1.00 N ATOM 261 NH2 ARG A 217 -3.824 -2.729 -11.939 1.00 1.00 N ATOM 0 H ARG A 217 -9.264 -1.106 -7.016 1.00 1.00 H new ATOM 0 HA ARG A 217 -6.510 -0.369 -6.284 1.00 1.00 H new ATOM 0 HB2 ARG A 217 -7.449 -1.794 -8.783 1.00 1.00 H new ATOM 0 HB3 ARG A 217 -6.027 -0.770 -8.805 1.00 1.00 H new ATOM 0 HG2 ARG A 217 -4.908 -2.155 -7.164 1.00 1.00 H new ATOM 0 HG3 ARG A 217 -6.368 -3.075 -6.859 1.00 1.00 H new ATOM 0 HD2 ARG A 217 -4.765 -4.274 -8.343 1.00 1.00 H new ATOM 0 HD3 ARG A 217 -6.329 -4.025 -9.093 1.00 1.00 H new ATOM 0 HE ARG A 217 -4.669 -1.821 -9.802 1.00 1.00 H new ATOM 0 HH11 ARG A 217 -4.809 -5.320 -10.298 1.00 1.00 H new ATOM 0 HH12 ARG A 217 -4.075 -5.231 -11.902 1.00 1.00 H new ATOM 0 HH21 ARG A 217 -3.762 -1.715 -11.852 1.00 1.00 H new ATOM 0 HH22 ARG A 217 -3.483 -3.190 -12.782 1.00 1.00 H new ATOM 275 N ASP A 218 -6.697 1.537 -8.197 1.00 1.00 N ATOM 276 CA ASP A 218 -6.944 2.851 -8.779 1.00 1.00 C ATOM 277 C ASP A 218 -5.907 3.152 -9.855 1.00 1.00 C ATOM 278 O ASP A 218 -5.082 2.297 -10.178 1.00 1.00 O ATOM 279 CB ASP A 218 -6.909 3.934 -7.694 1.00 1.00 C ATOM 280 CG ASP A 218 -5.497 4.337 -7.310 1.00 1.00 C ATOM 281 OD1 ASP A 218 -4.652 3.445 -7.100 1.00 1.00 O ATOM 282 OD2 ASP A 218 -5.228 5.551 -7.220 1.00 1.00 O ATOM 0 H ASP A 218 -5.729 1.223 -8.268 1.00 1.00 H new ATOM 0 HA ASP A 218 -7.934 2.848 -9.234 1.00 1.00 H new ATOM 0 HB2 ASP A 218 -7.449 4.813 -8.047 1.00 1.00 H new ATOM 0 HB3 ASP A 218 -7.432 3.572 -6.809 1.00 1.00 H new ATOM 287 N ARG A 219 -5.947 4.367 -10.396 1.00 1.00 N ATOM 288 CA ARG A 219 -5.014 4.781 -11.443 1.00 1.00 C ATOM 289 C ARG A 219 -3.561 4.697 -10.971 1.00 1.00 C ATOM 290 O ARG A 219 -2.677 4.283 -11.725 1.00 1.00 O ATOM 291 CB ARG A 219 -5.328 6.210 -11.895 1.00 1.00 C ATOM 292 CG ARG A 219 -4.494 6.678 -13.080 1.00 1.00 C ATOM 293 CD ARG A 219 -3.704 7.933 -12.747 1.00 1.00 C ATOM 294 NE ARG A 219 -4.577 9.054 -12.412 1.00 1.00 N ATOM 295 CZ ARG A 219 -4.397 9.851 -11.363 1.00 1.00 C ATOM 296 NH1 ARG A 219 -3.377 9.652 -10.536 1.00 1.00 N ATOM 297 NH2 ARG A 219 -5.242 10.849 -11.147 1.00 1.00 N ATOM 0 H ARG A 219 -6.618 5.086 -10.126 1.00 1.00 H new ATOM 0 HA ARG A 219 -5.137 4.096 -12.282 1.00 1.00 H new ATOM 0 HB2 ARG A 219 -6.384 6.274 -12.158 1.00 1.00 H new ATOM 0 HB3 ARG A 219 -5.166 6.889 -11.058 1.00 1.00 H new ATOM 0 HG2 ARG A 219 -3.809 5.885 -13.379 1.00 1.00 H new ATOM 0 HG3 ARG A 219 -5.147 6.873 -13.931 1.00 1.00 H new ATOM 0 HD2 ARG A 219 -3.037 7.730 -11.910 1.00 1.00 H new ATOM 0 HD3 ARG A 219 -3.077 8.203 -13.596 1.00 1.00 H new ATOM 0 HE ARG A 219 -5.375 9.237 -13.021 1.00 1.00 H new ATOM 0 HH11 ARG A 219 -2.727 8.884 -10.704 1.00 1.00 H new ATOM 0 HH12 ARG A 219 -3.244 10.267 -9.733 1.00 1.00 H new ATOM 0 HH21 ARG A 219 -6.024 11.002 -11.783 1.00 1.00 H new ATOM 0 HH22 ARG A 219 -5.110 11.464 -10.344 1.00 1.00 H new ATOM 311 N THR A 220 -3.318 5.093 -9.728 1.00 1.00 N ATOM 312 CA THR A 220 -1.978 5.060 -9.163 1.00 1.00 C ATOM 313 C THR A 220 -1.506 3.621 -8.961 1.00 1.00 C ATOM 314 O THR A 220 -0.332 3.307 -9.150 1.00 1.00 O ATOM 315 CB THR A 220 -1.928 5.804 -7.815 1.00 1.00 C ATOM 316 OG1 THR A 220 -2.998 6.758 -7.739 1.00 1.00 O ATOM 317 CG2 THR A 220 -0.598 6.521 -7.645 1.00 1.00 C ATOM 0 H THR A 220 -4.035 5.442 -9.091 1.00 1.00 H new ATOM 0 HA THR A 220 -1.315 5.559 -9.870 1.00 1.00 H new ATOM 0 HB THR A 220 -2.037 5.070 -7.017 1.00 1.00 H new ATOM 0 HG1 THR A 220 -3.717 6.399 -7.178 1.00 1.00 H new ATOM 0 HG21 THR A 220 -0.584 7.040 -6.686 1.00 1.00 H new ATOM 0 HG22 THR A 220 0.214 5.794 -7.676 1.00 1.00 H new ATOM 0 HG23 THR A 220 -0.469 7.244 -8.451 1.00 1.00 H new ATOM 325 N GLY A 221 -2.431 2.749 -8.587 1.00 1.00 N ATOM 326 CA GLY A 221 -2.091 1.361 -8.369 1.00 1.00 C ATOM 327 C GLY A 221 -2.044 1.030 -6.897 1.00 1.00 C ATOM 328 O GLY A 221 -1.202 0.256 -6.449 1.00 1.00 O ATOM 0 H GLY A 221 -3.412 2.980 -8.431 1.00 1.00 H new ATOM 0 HA2 GLY A 221 -2.824 0.723 -8.864 1.00 1.00 H new ATOM 0 HA3 GLY A 221 -1.124 1.146 -8.823 1.00 1.00 H new ATOM 332 N HIS A 222 -2.950 1.631 -6.139 1.00 1.00 N ATOM 333 CA HIS A 222 -3.015 1.406 -4.705 1.00 1.00 C ATOM 334 C HIS A 222 -3.860 0.185 -4.381 1.00 1.00 C ATOM 335 O HIS A 222 -5.088 0.252 -4.380 1.00 1.00 O ATOM 336 CB HIS A 222 -3.578 2.640 -3.990 1.00 1.00 C ATOM 337 CG HIS A 222 -2.531 3.661 -3.678 1.00 1.00 C ATOM 338 ND1 HIS A 222 -2.287 4.136 -2.405 1.00 1.00 N ATOM 339 CD2 HIS A 222 -1.630 4.267 -4.483 1.00 1.00 C ATOM 340 CE1 HIS A 222 -1.275 4.982 -2.443 1.00 1.00 C ATOM 341 NE2 HIS A 222 -0.864 5.081 -3.692 1.00 1.00 N ATOM 0 H HIS A 222 -3.651 2.280 -6.496 1.00 1.00 H new ATOM 0 HA HIS A 222 -2.000 1.225 -4.350 1.00 1.00 H new ATOM 0 HB2 HIS A 222 -4.348 3.095 -4.614 1.00 1.00 H new ATOM 0 HB3 HIS A 222 -4.061 2.328 -3.064 1.00 1.00 H new ATOM 0 HD2 HIS A 222 -1.532 4.134 -5.550 1.00 1.00 H new ATOM 0 HE1 HIS A 222 -0.855 5.504 -1.596 1.00 1.00 H new ATOM 0 HE2 HIS A 222 -0.097 5.670 -4.017 1.00 1.00 H new ATOM 350 N TYR A 223 -3.190 -0.933 -4.134 1.00 1.00 N ATOM 351 CA TYR A 223 -3.870 -2.170 -3.777 1.00 1.00 C ATOM 352 C TYR A 223 -4.333 -2.073 -2.333 1.00 1.00 C ATOM 353 O TYR A 223 -3.552 -2.291 -1.409 1.00 1.00 O ATOM 354 CB TYR A 223 -2.937 -3.379 -3.935 1.00 1.00 C ATOM 355 CG TYR A 223 -2.190 -3.432 -5.249 1.00 1.00 C ATOM 356 CD1 TYR A 223 -2.743 -4.053 -6.360 1.00 1.00 C ATOM 357 CD2 TYR A 223 -0.928 -2.871 -5.373 1.00 1.00 C ATOM 358 CE1 TYR A 223 -2.058 -4.112 -7.558 1.00 1.00 C ATOM 359 CE2 TYR A 223 -0.237 -2.925 -6.564 1.00 1.00 C ATOM 360 CZ TYR A 223 -0.805 -3.545 -7.654 1.00 1.00 C ATOM 361 OH TYR A 223 -0.118 -3.597 -8.845 1.00 1.00 O ATOM 0 H TYR A 223 -2.174 -1.008 -4.175 1.00 1.00 H new ATOM 0 HA TYR A 223 -4.722 -2.309 -4.443 1.00 1.00 H new ATOM 0 HB2 TYR A 223 -2.213 -3.371 -3.121 1.00 1.00 H new ATOM 0 HB3 TYR A 223 -3.525 -4.291 -3.830 1.00 1.00 H new ATOM 0 HD1 TYR A 223 -3.725 -4.497 -6.287 1.00 1.00 H new ATOM 0 HD2 TYR A 223 -0.479 -2.383 -4.521 1.00 1.00 H new ATOM 0 HE1 TYR A 223 -2.501 -4.599 -8.414 1.00 1.00 H new ATOM 0 HE2 TYR A 223 0.745 -2.483 -6.642 1.00 1.00 H new ATOM 0 HH TYR A 223 -0.755 -3.607 -9.590 1.00 1.00 H new ATOM 371 N LEU A 224 -5.588 -1.712 -2.136 1.00 1.00 N ATOM 372 CA LEU A 224 -6.123 -1.571 -0.795 1.00 1.00 C ATOM 373 C LEU A 224 -7.333 -2.471 -0.595 1.00 1.00 C ATOM 374 O LEU A 224 -7.995 -2.869 -1.559 1.00 1.00 O ATOM 375 CB LEU A 224 -6.499 -0.112 -0.528 1.00 1.00 C ATOM 376 CG LEU A 224 -5.350 0.897 -0.657 1.00 1.00 C ATOM 377 CD1 LEU A 224 -5.867 2.314 -0.470 1.00 1.00 C ATOM 378 CD2 LEU A 224 -4.245 0.598 0.351 1.00 1.00 C ATOM 0 H LEU A 224 -6.253 -1.512 -2.884 1.00 1.00 H new ATOM 0 HA LEU A 224 -5.352 -1.874 -0.086 1.00 1.00 H new ATOM 0 HB2 LEU A 224 -7.291 0.174 -1.220 1.00 1.00 H new ATOM 0 HB3 LEU A 224 -6.913 -0.039 0.478 1.00 1.00 H new ATOM 0 HG LEU A 224 -4.929 0.806 -1.659 1.00 1.00 H new ATOM 0 HD11 LEU A 224 -5.040 3.018 -0.564 1.00 1.00 H new ATOM 0 HD12 LEU A 224 -6.617 2.531 -1.230 1.00 1.00 H new ATOM 0 HD13 LEU A 224 -6.315 2.410 0.519 1.00 1.00 H new ATOM 0 HD21 LEU A 224 -3.443 1.327 0.239 1.00 1.00 H new ATOM 0 HD22 LEU A 224 -4.649 0.656 1.362 1.00 1.00 H new ATOM 0 HD23 LEU A 224 -3.852 -0.403 0.174 1.00 1.00 H new ATOM 390 N CYS A 225 -7.610 -2.790 0.656 1.00 1.00 N ATOM 391 CA CYS A 225 -8.727 -3.642 1.002 1.00 1.00 C ATOM 392 C CYS A 225 -9.973 -2.819 1.311 1.00 1.00 C ATOM 393 O CYS A 225 -9.989 -1.601 1.135 1.00 1.00 O ATOM 394 CB CYS A 225 -8.346 -4.474 2.219 1.00 1.00 C ATOM 395 SG CYS A 225 -7.440 -3.533 3.487 1.00 1.00 S ATOM 0 H CYS A 225 -7.068 -2.466 1.457 1.00 1.00 H new ATOM 0 HA CYS A 225 -8.955 -4.289 0.155 1.00 1.00 H new ATOM 0 HB2 CYS A 225 -9.251 -4.889 2.663 1.00 1.00 H new ATOM 0 HB3 CYS A 225 -7.734 -5.316 1.896 1.00 1.00 H new ATOM 0 HG CYS A 225 -6.850 -4.358 4.300 1.00 1.00 H new ATOM 400 N ASN A 226 -11.009 -3.495 1.783 1.00 1.00 N ATOM 401 CA ASN A 226 -12.254 -2.835 2.152 1.00 1.00 C ATOM 402 C ASN A 226 -12.111 -2.218 3.539 1.00 1.00 C ATOM 403 O ASN A 226 -12.957 -1.443 3.986 1.00 1.00 O ATOM 404 CB ASN A 226 -13.416 -3.842 2.141 1.00 1.00 C ATOM 405 CG ASN A 226 -14.766 -3.198 2.415 1.00 1.00 C ATOM 406 OD1 ASN A 226 -15.045 -2.091 1.956 1.00 1.00 O ATOM 407 ND2 ASN A 226 -15.609 -3.883 3.176 1.00 1.00 N ATOM 0 H ASN A 226 -11.013 -4.506 1.920 1.00 1.00 H new ATOM 0 HA ASN A 226 -12.469 -2.050 1.427 1.00 1.00 H new ATOM 0 HB2 ASN A 226 -13.448 -4.340 1.172 1.00 1.00 H new ATOM 0 HB3 ASN A 226 -13.229 -4.612 2.890 1.00 1.00 H new ATOM 0 HD21 ASN A 226 -16.525 -3.495 3.399 1.00 1.00 H new ATOM 0 HD22 ASN A 226 -15.341 -4.798 3.538 1.00 1.00 H new ATOM 414 N ALA A 227 -11.015 -2.553 4.211 1.00 1.00 N ATOM 415 CA ALA A 227 -10.758 -2.054 5.550 1.00 1.00 C ATOM 416 C ALA A 227 -9.789 -0.877 5.529 1.00 1.00 C ATOM 417 O ALA A 227 -10.138 0.232 5.946 1.00 1.00 O ATOM 418 CB ALA A 227 -10.216 -3.171 6.428 1.00 1.00 C ATOM 0 H ALA A 227 -10.290 -3.171 3.846 1.00 1.00 H new ATOM 0 HA ALA A 227 -11.701 -1.699 5.965 1.00 1.00 H new ATOM 0 HB1 ALA A 227 -10.026 -2.787 7.430 1.00 1.00 H new ATOM 0 HB2 ALA A 227 -10.946 -3.979 6.481 1.00 1.00 H new ATOM 0 HB3 ALA A 227 -9.286 -3.550 6.003 1.00 1.00 H new ATOM 424 N CYS A 228 -8.577 -1.118 5.037 1.00 1.00 N ATOM 425 CA CYS A 228 -7.554 -0.083 4.977 1.00 1.00 C ATOM 426 C CYS A 228 -7.828 0.911 3.851 1.00 1.00 C ATOM 427 O CYS A 228 -7.514 2.099 3.968 1.00 1.00 O ATOM 428 CB CYS A 228 -6.181 -0.728 4.793 1.00 1.00 C ATOM 429 SG CYS A 228 -5.850 -2.104 5.945 1.00 1.00 S ATOM 0 H CYS A 228 -8.281 -2.024 4.674 1.00 1.00 H new ATOM 0 HA CYS A 228 -7.573 0.471 5.916 1.00 1.00 H new ATOM 0 HB2 CYS A 228 -6.097 -1.095 3.770 1.00 1.00 H new ATOM 0 HB3 CYS A 228 -5.412 0.034 4.922 1.00 1.00 H new ATOM 0 HG CYS A 228 -6.637 -3.101 5.667 1.00 1.00 H new ATOM 434 N GLY A 229 -8.431 0.426 2.773 1.00 1.00 N ATOM 435 CA GLY A 229 -8.726 1.279 1.637 1.00 1.00 C ATOM 436 C GLY A 229 -9.966 2.131 1.837 1.00 1.00 C ATOM 437 O GLY A 229 -10.836 2.185 0.973 1.00 1.00 O ATOM 0 H GLY A 229 -8.722 -0.546 2.665 1.00 1.00 H new ATOM 0 HA2 GLY A 229 -7.872 1.930 1.448 1.00 1.00 H new ATOM 0 HA3 GLY A 229 -8.858 0.660 0.750 1.00 1.00 H new ATOM 441 N LEU A 230 -10.042 2.809 2.973 1.00 1.00 N ATOM 442 CA LEU A 230 -11.180 3.662 3.282 1.00 1.00 C ATOM 443 C LEU A 230 -11.058 5.001 2.559 1.00 1.00 C ATOM 444 O LEU A 230 -12.061 5.605 2.166 1.00 1.00 O ATOM 445 CB LEU A 230 -11.277 3.877 4.796 1.00 1.00 C ATOM 446 CG LEU A 230 -12.487 4.688 5.272 1.00 1.00 C ATOM 447 CD1 LEU A 230 -13.786 3.989 4.895 1.00 1.00 C ATOM 448 CD2 LEU A 230 -12.420 4.907 6.776 1.00 1.00 C ATOM 0 H LEU A 230 -9.326 2.784 3.699 1.00 1.00 H new ATOM 0 HA LEU A 230 -12.090 3.171 2.938 1.00 1.00 H new ATOM 0 HB2 LEU A 230 -11.301 2.902 5.283 1.00 1.00 H new ATOM 0 HB3 LEU A 230 -10.370 4.379 5.133 1.00 1.00 H new ATOM 0 HG LEU A 230 -12.465 5.659 4.777 1.00 1.00 H new ATOM 0 HD11 LEU A 230 -14.632 4.582 5.242 1.00 1.00 H new ATOM 0 HD12 LEU A 230 -13.840 3.880 3.812 1.00 1.00 H new ATOM 0 HD13 LEU A 230 -13.818 3.004 5.361 1.00 1.00 H new ATOM 0 HD21 LEU A 230 -13.286 5.485 7.099 1.00 1.00 H new ATOM 0 HD22 LEU A 230 -12.417 3.943 7.284 1.00 1.00 H new ATOM 0 HD23 LEU A 230 -11.509 5.451 7.024 1.00 1.00 H new ATOM 460 N TYR A 231 -9.821 5.443 2.365 1.00 1.00 N ATOM 461 CA TYR A 231 -9.549 6.708 1.692 1.00 1.00 C ATOM 462 C TYR A 231 -10.074 6.700 0.259 1.00 1.00 C ATOM 463 O TYR A 231 -10.845 7.578 -0.135 1.00 1.00 O ATOM 464 CB TYR A 231 -8.048 6.998 1.700 1.00 1.00 C ATOM 465 CG TYR A 231 -7.546 7.577 3.002 1.00 1.00 C ATOM 466 CD1 TYR A 231 -7.523 8.949 3.205 1.00 1.00 C ATOM 467 CD2 TYR A 231 -7.095 6.754 4.028 1.00 1.00 C ATOM 468 CE1 TYR A 231 -7.066 9.487 4.391 1.00 1.00 C ATOM 469 CE2 TYR A 231 -6.637 7.286 5.218 1.00 1.00 C ATOM 470 CZ TYR A 231 -6.626 8.652 5.394 1.00 1.00 C ATOM 471 OH TYR A 231 -6.173 9.187 6.577 1.00 1.00 O ATOM 0 H TYR A 231 -8.986 4.941 2.666 1.00 1.00 H new ATOM 0 HA TYR A 231 -10.070 7.496 2.237 1.00 1.00 H new ATOM 0 HB2 TYR A 231 -7.508 6.074 1.492 1.00 1.00 H new ATOM 0 HB3 TYR A 231 -7.817 7.692 0.892 1.00 1.00 H new ATOM 0 HD1 TYR A 231 -7.869 9.607 2.422 1.00 1.00 H new ATOM 0 HD2 TYR A 231 -7.103 5.683 3.893 1.00 1.00 H new ATOM 0 HE1 TYR A 231 -7.053 10.558 4.532 1.00 1.00 H new ATOM 0 HE2 TYR A 231 -6.289 6.634 6.006 1.00 1.00 H new ATOM 0 HH TYR A 231 -5.900 8.464 7.180 1.00 1.00 H new ATOM 481 N HIS A 232 -9.675 5.697 -0.508 1.00 1.00 N ATOM 482 CA HIS A 232 -10.099 5.572 -1.901 1.00 1.00 C ATOM 483 C HIS A 232 -11.486 4.944 -2.022 1.00 1.00 C ATOM 484 O HIS A 232 -11.877 4.504 -3.105 1.00 1.00 O ATOM 485 CB HIS A 232 -9.094 4.724 -2.680 1.00 1.00 C ATOM 486 CG HIS A 232 -8.339 5.478 -3.736 1.00 1.00 C ATOM 487 ND1 HIS A 232 -8.902 6.467 -4.518 1.00 1.00 N ATOM 488 CD2 HIS A 232 -7.051 5.374 -4.138 1.00 1.00 C ATOM 489 CE1 HIS A 232 -7.992 6.930 -5.355 1.00 1.00 C ATOM 490 NE2 HIS A 232 -6.862 6.286 -5.146 1.00 1.00 N ATOM 0 H HIS A 232 -9.055 4.952 -0.190 1.00 1.00 H new ATOM 0 HA HIS A 232 -10.144 6.578 -2.317 1.00 1.00 H new ATOM 0 HB2 HIS A 232 -8.381 4.291 -1.979 1.00 1.00 H new ATOM 0 HB3 HIS A 232 -9.623 3.895 -3.150 1.00 1.00 H new ATOM 0 HD1 HIS A 232 -9.868 6.789 -4.458 1.00 1.00 H new ATOM 0 HD2 HIS A 232 -6.309 4.698 -3.739 1.00 1.00 H new ATOM 0 HE1 HIS A 232 -8.148 7.707 -6.089 1.00 1.00 H new ATOM 499 N LYS A 233 -12.233 4.899 -0.926 1.00 1.00 N ATOM 500 CA LYS A 233 -13.564 4.309 -0.954 1.00 1.00 C ATOM 501 C LYS A 233 -14.632 5.276 -0.454 1.00 1.00 C ATOM 502 O LYS A 233 -15.575 5.593 -1.173 1.00 1.00 O ATOM 503 CB LYS A 233 -13.607 3.027 -0.120 1.00 1.00 C ATOM 504 CG LYS A 233 -14.813 2.148 -0.422 1.00 1.00 C ATOM 505 CD LYS A 233 -14.938 0.996 0.566 1.00 1.00 C ATOM 506 CE LYS A 233 -15.479 1.470 1.909 1.00 1.00 C ATOM 507 NZ LYS A 233 -15.784 0.336 2.822 1.00 1.00 N ATOM 0 H LYS A 233 -11.944 5.260 -0.017 1.00 1.00 H new ATOM 0 HA LYS A 233 -13.781 4.074 -1.996 1.00 1.00 H new ATOM 0 HB2 LYS A 233 -12.696 2.455 -0.299 1.00 1.00 H new ATOM 0 HB3 LYS A 233 -13.615 3.291 0.938 1.00 1.00 H new ATOM 0 HG2 LYS A 233 -15.720 2.752 -0.391 1.00 1.00 H new ATOM 0 HG3 LYS A 233 -14.729 1.751 -1.434 1.00 1.00 H new ATOM 0 HD2 LYS A 233 -15.599 0.233 0.155 1.00 1.00 H new ATOM 0 HD3 LYS A 233 -13.963 0.530 0.709 1.00 1.00 H new ATOM 0 HE2 LYS A 233 -14.750 2.129 2.381 1.00 1.00 H new ATOM 0 HE3 LYS A 233 -16.382 2.058 1.748 1.00 1.00 H new ATOM 0 HZ1 LYS A 233 -15.478 0.575 3.787 1.00 1.00 H new ATOM 0 HZ2 LYS A 233 -16.808 0.153 2.819 1.00 1.00 H new ATOM 0 HZ3 LYS A 233 -15.280 -0.515 2.500 1.00 1.00 H new ATOM 521 N MET A 234 -14.484 5.751 0.775 1.00 1.00 N ATOM 522 CA MET A 234 -15.476 6.652 1.353 1.00 1.00 C ATOM 523 C MET A 234 -14.916 8.051 1.588 1.00 1.00 C ATOM 524 O MET A 234 -15.638 9.037 1.481 1.00 1.00 O ATOM 525 CB MET A 234 -15.999 6.075 2.669 1.00 1.00 C ATOM 526 CG MET A 234 -17.158 6.858 3.260 1.00 1.00 C ATOM 527 SD MET A 234 -17.558 6.335 4.937 1.00 1.00 S ATOM 528 CE MET A 234 -19.015 7.324 5.256 1.00 1.00 C ATOM 0 H MET A 234 -13.697 5.532 1.386 1.00 1.00 H new ATOM 0 HA MET A 234 -16.292 6.742 0.636 1.00 1.00 H new ATOM 0 HB2 MET A 234 -16.314 5.045 2.504 1.00 1.00 H new ATOM 0 HB3 MET A 234 -15.184 6.047 3.393 1.00 1.00 H new ATOM 0 HG2 MET A 234 -16.911 7.920 3.263 1.00 1.00 H new ATOM 0 HG3 MET A 234 -18.036 6.736 2.625 1.00 1.00 H new ATOM 0 HE1 MET A 234 -19.385 7.114 6.260 1.00 1.00 H new ATOM 0 HE2 MET A 234 -18.762 8.381 5.177 1.00 1.00 H new ATOM 0 HE3 MET A 234 -19.787 7.080 4.526 1.00 1.00 H new ATOM 538 N ASN A 235 -13.631 8.136 1.900 1.00 1.00 N ATOM 539 CA ASN A 235 -12.999 9.426 2.163 1.00 1.00 C ATOM 540 C ASN A 235 -12.964 10.301 0.915 1.00 1.00 C ATOM 541 O ASN A 235 -12.947 11.530 1.012 1.00 1.00 O ATOM 542 CB ASN A 235 -11.574 9.233 2.682 1.00 1.00 C ATOM 543 CG ASN A 235 -11.519 8.975 4.172 1.00 1.00 C ATOM 544 OD1 ASN A 235 -11.540 7.829 4.615 1.00 1.00 O ATOM 545 ND2 ASN A 235 -11.436 10.038 4.956 1.00 1.00 N ATOM 0 H ASN A 235 -13.006 7.333 1.978 1.00 1.00 H new ATOM 0 HA ASN A 235 -13.600 9.927 2.922 1.00 1.00 H new ATOM 0 HB2 ASN A 235 -11.112 8.397 2.157 1.00 1.00 H new ATOM 0 HB3 ASN A 235 -10.985 10.120 2.450 1.00 1.00 H new ATOM 0 HD21 ASN A 235 -11.387 9.923 5.968 1.00 1.00 H new ATOM 0 HD22 ASN A 235 -11.421 10.973 4.548 1.00 1.00 H new ATOM 552 N GLY A 236 -12.953 9.669 -0.251 1.00 1.00 N ATOM 553 CA GLY A 236 -12.897 10.417 -1.491 1.00 1.00 C ATOM 554 C GLY A 236 -11.507 10.974 -1.722 1.00 1.00 C ATOM 555 O GLY A 236 -11.333 12.019 -2.351 1.00 1.00 O ATOM 0 H GLY A 236 -12.982 8.655 -0.360 1.00 1.00 H new ATOM 0 HA2 GLY A 236 -13.178 9.771 -2.323 1.00 1.00 H new ATOM 0 HA3 GLY A 236 -13.620 11.232 -1.462 1.00 1.00 H new ATOM 559 N GLN A 237 -10.518 10.273 -1.190 1.00 1.00 N ATOM 560 CA GLN A 237 -9.129 10.678 -1.312 1.00 1.00 C ATOM 561 C GLN A 237 -8.338 9.612 -2.062 1.00 1.00 C ATOM 562 O GLN A 237 -8.740 9.187 -3.145 1.00 1.00 O ATOM 563 CB GLN A 237 -8.533 10.926 0.079 1.00 1.00 C ATOM 564 CG GLN A 237 -9.069 12.181 0.751 1.00 1.00 C ATOM 565 CD GLN A 237 -8.606 12.324 2.188 1.00 1.00 C ATOM 566 OE1 GLN A 237 -9.307 11.936 3.121 1.00 1.00 O ATOM 567 NE2 GLN A 237 -7.414 12.870 2.373 1.00 1.00 N ATOM 0 H GLN A 237 -10.656 9.410 -0.663 1.00 1.00 H new ATOM 0 HA GLN A 237 -9.073 11.607 -1.880 1.00 1.00 H new ATOM 0 HB2 GLN A 237 -8.742 10.065 0.714 1.00 1.00 H new ATOM 0 HB3 GLN A 237 -7.449 11.003 -0.007 1.00 1.00 H new ATOM 0 HG2 GLN A 237 -8.751 13.055 0.183 1.00 1.00 H new ATOM 0 HG3 GLN A 237 -10.159 12.164 0.726 1.00 1.00 H new ATOM 0 HE21 GLN A 237 -6.864 13.179 1.571 1.00 1.00 H new ATOM 0 HE22 GLN A 237 -7.045 12.982 3.317 1.00 1.00 H new ATOM 576 N ASN A 238 -7.233 9.171 -1.483 1.00 1.00 N ATOM 577 CA ASN A 238 -6.398 8.158 -2.106 1.00 1.00 C ATOM 578 C ASN A 238 -5.981 7.118 -1.080 1.00 1.00 C ATOM 579 O ASN A 238 -5.084 7.417 -0.263 1.00 1.00 O ATOM 580 CB ASN A 238 -5.167 8.806 -2.750 1.00 1.00 C ATOM 581 CG ASN A 238 -4.129 7.793 -3.199 1.00 1.00 C ATOM 582 OD1 ASN A 238 -3.147 7.543 -2.353 1.00 1.00 O flip ATOM 583 ND2 ASN A 238 -4.204 7.246 -4.300 1.00 1.00 N flip ATOM 0 H ASN A 238 -6.893 9.500 -0.579 1.00 1.00 H new ATOM 0 HA ASN A 238 -6.973 7.661 -2.887 1.00 1.00 H new ATOM 0 HB2 ASN A 238 -5.483 9.399 -3.608 1.00 1.00 H new ATOM 0 HB3 ASN A 238 -4.711 9.494 -2.038 1.00 1.00 H new ATOM 0 HD21 ASN A 238 -4.978 7.465 -4.927 1.00 1.00 H new ATOM 0 HD22 ASN A 238 -3.492 6.574 -4.585 1.00 1.00 H new ATOM 591 N GLY B 1 29.833 4.064 -2.804 1.00 1.00 N ATOM 592 CA GLY B 1 28.354 4.036 -2.710 1.00 1.00 C ATOM 593 C GLY B 1 27.700 4.267 -4.053 1.00 1.00 C ATOM 594 O GLY B 1 27.751 3.401 -4.932 1.00 1.00 O ATOM 0 H1 GLY B 1 30.244 3.902 -1.862 1.00 1.00 H new ATOM 0 H2 GLY B 1 30.154 3.319 -3.455 1.00 1.00 H new ATOM 0 H3 GLY B 1 30.141 4.991 -3.161 1.00 1.00 H new ATOM 0 HA2 GLY B 1 28.034 3.074 -2.311 1.00 1.00 H new ATOM 0 HA3 GLY B 1 28.020 4.800 -2.007 1.00 1.00 H new ATOM 600 N SER B 2 27.093 5.440 -4.212 1.00 1.00 N ATOM 601 CA SER B 2 26.420 5.815 -5.452 1.00 1.00 C ATOM 602 C SER B 2 25.369 4.774 -5.840 1.00 1.00 C ATOM 603 O SER B 2 25.303 4.334 -6.988 1.00 1.00 O ATOM 604 CB SER B 2 27.450 5.990 -6.574 1.00 1.00 C ATOM 605 OG SER B 2 28.529 6.811 -6.149 1.00 1.00 O ATOM 0 H SER B 2 27.054 6.156 -3.487 1.00 1.00 H new ATOM 0 HA SER B 2 25.907 6.764 -5.295 1.00 1.00 H new ATOM 0 HB2 SER B 2 27.829 5.015 -6.881 1.00 1.00 H new ATOM 0 HB3 SER B 2 26.971 6.435 -7.446 1.00 1.00 H new ATOM 0 HG SER B 2 29.174 6.907 -6.880 1.00 1.00 H new ATOM 611 N LEU B 3 24.551 4.387 -4.867 1.00 1.00 N ATOM 612 CA LEU B 3 23.506 3.398 -5.088 1.00 1.00 C ATOM 613 C LEU B 3 22.376 3.982 -5.933 1.00 1.00 C ATOM 614 O LEU B 3 22.282 3.703 -7.129 1.00 1.00 O ATOM 615 CB LEU B 3 22.964 2.901 -3.745 1.00 1.00 C ATOM 616 CG LEU B 3 21.992 1.724 -3.829 1.00 1.00 C ATOM 617 CD1 LEU B 3 22.703 0.481 -4.334 1.00 1.00 C ATOM 618 CD2 LEU B 3 21.353 1.459 -2.474 1.00 1.00 C ATOM 0 H LEU B 3 24.593 4.746 -3.913 1.00 1.00 H new ATOM 0 HA LEU B 3 23.935 2.556 -5.631 1.00 1.00 H new ATOM 0 HB2 LEU B 3 23.806 2.611 -3.117 1.00 1.00 H new ATOM 0 HB3 LEU B 3 22.463 3.730 -3.245 1.00 1.00 H new ATOM 0 HG LEU B 3 21.203 1.981 -4.536 1.00 1.00 H new ATOM 0 HD11 LEU B 3 21.996 -0.346 -4.387 1.00 1.00 H new ATOM 0 HD12 LEU B 3 23.112 0.673 -5.326 1.00 1.00 H new ATOM 0 HD13 LEU B 3 23.513 0.223 -3.652 1.00 1.00 H new ATOM 0 HD21 LEU B 3 20.665 0.618 -2.555 1.00 1.00 H new ATOM 0 HD22 LEU B 3 22.129 1.224 -1.745 1.00 1.00 H new ATOM 0 HD23 LEU B 3 20.807 2.345 -2.150 1.00 1.00 H new ATOM 630 N LEU B 4 21.524 4.788 -5.299 1.00 1.00 N ATOM 631 CA LEU B 4 20.388 5.431 -5.971 1.00 1.00 C ATOM 632 C LEU B 4 19.376 4.400 -6.473 1.00 1.00 C ATOM 633 O LEU B 4 18.448 4.736 -7.208 1.00 1.00 O ATOM 634 CB LEU B 4 20.859 6.314 -7.141 1.00 1.00 C ATOM 635 CG LEU B 4 21.465 7.670 -6.756 1.00 1.00 C ATOM 636 CD1 LEU B 4 20.686 8.308 -5.617 1.00 1.00 C ATOM 637 CD2 LEU B 4 22.933 7.522 -6.386 1.00 1.00 C ATOM 0 H LEU B 4 21.599 5.015 -4.307 1.00 1.00 H new ATOM 0 HA LEU B 4 19.897 6.063 -5.231 1.00 1.00 H new ATOM 0 HB2 LEU B 4 21.599 5.757 -7.716 1.00 1.00 H new ATOM 0 HB3 LEU B 4 20.010 6.492 -7.801 1.00 1.00 H new ATOM 0 HG LEU B 4 21.398 8.327 -7.623 1.00 1.00 H new ATOM 0 HD11 LEU B 4 21.135 9.268 -5.362 1.00 1.00 H new ATOM 0 HD12 LEU B 4 19.652 8.461 -5.925 1.00 1.00 H new ATOM 0 HD13 LEU B 4 20.712 7.653 -4.746 1.00 1.00 H new ATOM 0 HD21 LEU B 4 23.340 8.497 -6.117 1.00 1.00 H new ATOM 0 HD22 LEU B 4 23.028 6.842 -5.539 1.00 1.00 H new ATOM 0 HD23 LEU B 4 23.484 7.121 -7.237 1.00 1.00 H new ATOM 649 N LYS B 5 19.554 3.148 -6.073 1.00 1.00 N ATOM 650 CA LYS B 5 18.660 2.078 -6.484 1.00 1.00 C ATOM 651 C LYS B 5 18.130 1.329 -5.269 1.00 1.00 C ATOM 652 O LYS B 5 18.839 0.518 -4.671 1.00 1.00 O ATOM 653 CB LYS B 5 19.384 1.108 -7.420 1.00 1.00 C ATOM 654 CG LYS B 5 19.600 1.647 -8.827 1.00 1.00 C ATOM 655 CD LYS B 5 18.613 1.047 -9.817 1.00 1.00 C ATOM 656 CE LYS B 5 17.203 1.556 -9.576 1.00 1.00 C ATOM 657 NZ LYS B 5 16.258 1.117 -10.635 1.00 1.00 N ATOM 0 H LYS B 5 20.314 2.849 -5.461 1.00 1.00 H new ATOM 0 HA LYS B 5 17.819 2.521 -7.017 1.00 1.00 H new ATOM 0 HB2 LYS B 5 20.352 0.856 -6.987 1.00 1.00 H new ATOM 0 HB3 LYS B 5 18.811 0.183 -7.481 1.00 1.00 H new ATOM 0 HG2 LYS B 5 19.495 2.732 -8.821 1.00 1.00 H new ATOM 0 HG3 LYS B 5 20.618 1.427 -9.149 1.00 1.00 H new ATOM 0 HD2 LYS B 5 18.921 1.293 -10.833 1.00 1.00 H new ATOM 0 HD3 LYS B 5 18.628 -0.040 -9.734 1.00 1.00 H new ATOM 0 HE2 LYS B 5 16.851 1.201 -8.608 1.00 1.00 H new ATOM 0 HE3 LYS B 5 17.215 2.645 -9.531 1.00 1.00 H new ATOM 0 HZ1 LYS B 5 15.309 1.488 -10.429 1.00 1.00 H new ATOM 0 HZ2 LYS B 5 16.578 1.477 -11.557 1.00 1.00 H new ATOM 0 HZ3 LYS B 5 16.225 0.078 -10.662 1.00 1.00 H new ATOM 671 N PRO B 6 16.881 1.609 -4.874 1.00 1.00 N ATOM 672 CA PRO B 6 16.252 0.955 -3.725 1.00 1.00 C ATOM 673 C PRO B 6 15.899 -0.504 -4.008 1.00 1.00 C ATOM 674 O PRO B 6 14.846 -0.808 -4.568 1.00 1.00 O ATOM 675 CB PRO B 6 14.986 1.782 -3.490 1.00 1.00 C ATOM 676 CG PRO B 6 14.670 2.379 -4.819 1.00 1.00 C ATOM 677 CD PRO B 6 15.989 2.599 -5.506 1.00 1.00 C ATOM 0 HA PRO B 6 16.917 0.921 -2.862 1.00 1.00 H new ATOM 0 HB2 PRO B 6 14.167 1.159 -3.131 1.00 1.00 H new ATOM 0 HB3 PRO B 6 15.151 2.554 -2.739 1.00 1.00 H new ATOM 0 HG2 PRO B 6 14.034 1.714 -5.403 1.00 1.00 H new ATOM 0 HG3 PRO B 6 14.129 3.319 -4.705 1.00 1.00 H new ATOM 0 HD2 PRO B 6 15.912 2.440 -6.582 1.00 1.00 H new ATOM 0 HD3 PRO B 6 16.352 3.616 -5.360 1.00 1.00 H new ATOM 685 N ALA B 7 16.790 -1.407 -3.625 1.00 1.00 N ATOM 686 CA ALA B 7 16.573 -2.831 -3.836 1.00 1.00 C ATOM 687 C ALA B 7 15.964 -3.480 -2.596 1.00 1.00 C ATOM 688 O ALA B 7 16.073 -4.690 -2.392 1.00 1.00 O ATOM 689 CB ALA B 7 17.881 -3.513 -4.206 1.00 1.00 C ATOM 0 H ALA B 7 17.672 -1.178 -3.166 1.00 1.00 H new ATOM 0 HA ALA B 7 15.869 -2.952 -4.660 1.00 1.00 H new ATOM 0 HB1 ALA B 7 17.705 -4.577 -4.361 1.00 1.00 H new ATOM 0 HB2 ALA B 7 18.274 -3.073 -5.122 1.00 1.00 H new ATOM 0 HB3 ALA B 7 18.602 -3.378 -3.400 1.00 1.00 H new ATOM 695 N ARG B 8 15.317 -2.674 -1.769 1.00 1.00 N ATOM 696 CA ARG B 8 14.699 -3.177 -0.552 1.00 1.00 C ATOM 697 C ARG B 8 13.181 -3.106 -0.661 1.00 1.00 C ATOM 698 O ARG B 8 12.616 -2.034 -0.861 1.00 1.00 O ATOM 699 CB ARG B 8 15.171 -2.380 0.668 1.00 1.00 C ATOM 700 CG ARG B 8 16.682 -2.237 0.759 1.00 1.00 C ATOM 701 CD ARG B 8 17.377 -3.590 0.798 1.00 1.00 C ATOM 702 NE ARG B 8 18.774 -3.487 0.384 1.00 1.00 N ATOM 703 CZ ARG B 8 19.365 -4.321 -0.469 1.00 1.00 C ATOM 704 NH1 ARG B 8 18.694 -5.347 -0.970 1.00 1.00 N ATOM 705 NH2 ARG B 8 20.631 -4.125 -0.814 1.00 1.00 N ATOM 0 H ARG B 8 15.206 -1.671 -1.918 1.00 1.00 H new ATOM 0 HA ARG B 8 14.999 -4.217 -0.425 1.00 1.00 H new ATOM 0 HB2 ARG B 8 14.722 -1.387 0.638 1.00 1.00 H new ATOM 0 HB3 ARG B 8 14.806 -2.867 1.572 1.00 1.00 H new ATOM 0 HG2 ARG B 8 17.045 -1.667 -0.096 1.00 1.00 H new ATOM 0 HG3 ARG B 8 16.940 -1.670 1.653 1.00 1.00 H new ATOM 0 HD2 ARG B 8 17.325 -3.998 1.807 1.00 1.00 H new ATOM 0 HD3 ARG B 8 16.853 -4.288 0.145 1.00 1.00 H new ATOM 0 HE ARG B 8 19.332 -2.727 0.773 1.00 1.00 H new ATOM 0 HH11 ARG B 8 17.722 -5.500 -0.703 1.00 1.00 H new ATOM 0 HH12 ARG B 8 19.150 -5.984 -1.623 1.00 1.00 H new ATOM 0 HH21 ARG B 8 21.149 -3.337 -0.426 1.00 1.00 H new ATOM 0 HH22 ARG B 8 21.086 -4.763 -1.467 1.00 1.00 H new ATOM 719 N PHE B 9 12.533 -4.253 -0.528 1.00 1.00 N ATOM 720 CA PHE B 9 11.080 -4.331 -0.614 1.00 1.00 C ATOM 721 C PHE B 9 10.479 -4.651 0.752 1.00 1.00 C ATOM 722 O PHE B 9 9.323 -5.058 0.855 1.00 1.00 O ATOM 723 CB PHE B 9 10.664 -5.398 -1.634 1.00 1.00 C ATOM 724 CG PHE B 9 11.232 -6.766 -1.355 1.00 1.00 C ATOM 725 CD1 PHE B 9 12.467 -7.136 -1.859 1.00 1.00 C ATOM 726 CD2 PHE B 9 10.524 -7.682 -0.591 1.00 1.00 C ATOM 727 CE1 PHE B 9 12.986 -8.390 -1.606 1.00 1.00 C ATOM 728 CE2 PHE B 9 11.037 -8.937 -0.336 1.00 1.00 C ATOM 729 CZ PHE B 9 12.269 -9.291 -0.844 1.00 1.00 C ATOM 0 H PHE B 9 12.992 -5.148 -0.359 1.00 1.00 H new ATOM 0 HA PHE B 9 10.703 -3.363 -0.942 1.00 1.00 H new ATOM 0 HB2 PHE B 9 9.576 -5.464 -1.652 1.00 1.00 H new ATOM 0 HB3 PHE B 9 10.981 -5.080 -2.627 1.00 1.00 H new ATOM 0 HD1 PHE B 9 13.031 -6.436 -2.457 1.00 1.00 H new ATOM 0 HD2 PHE B 9 9.559 -7.409 -0.191 1.00 1.00 H new ATOM 0 HE1 PHE B 9 13.952 -8.666 -2.004 1.00 1.00 H new ATOM 0 HE2 PHE B 9 10.475 -9.641 0.260 1.00 1.00 H new ATOM 0 HZ PHE B 9 12.673 -10.273 -0.646 1.00 1.00 H new ATOM 739 N MET B 10 11.272 -4.463 1.796 1.00 1.00 N ATOM 740 CA MET B 10 10.826 -4.740 3.155 1.00 1.00 C ATOM 741 C MET B 10 11.255 -3.621 4.091 1.00 1.00 C ATOM 742 O MET B 10 12.389 -3.141 4.015 1.00 1.00 O ATOM 743 CB MET B 10 11.396 -6.080 3.643 1.00 1.00 C ATOM 744 CG MET B 10 11.086 -6.390 5.101 1.00 1.00 C ATOM 745 SD MET B 10 11.692 -8.014 5.612 1.00 1.00 S ATOM 746 CE MET B 10 11.381 -7.952 7.377 1.00 1.00 C ATOM 0 H MET B 10 12.230 -4.119 1.729 1.00 1.00 H new ATOM 0 HA MET B 10 9.738 -4.801 3.154 1.00 1.00 H new ATOM 0 HB2 MET B 10 10.999 -6.881 3.019 1.00 1.00 H new ATOM 0 HB3 MET B 10 12.477 -6.075 3.505 1.00 1.00 H new ATOM 0 HG2 MET B 10 11.533 -5.624 5.734 1.00 1.00 H new ATOM 0 HG3 MET B 10 10.008 -6.343 5.257 1.00 1.00 H new ATOM 0 HE1 MET B 10 11.904 -8.773 7.868 1.00 1.00 H new ATOM 0 HE2 MET B 10 11.739 -7.003 7.776 1.00 1.00 H new ATOM 0 HE3 MET B 10 10.310 -8.042 7.561 1.00 1.00 H new ATOM 756 N CYS B 11 10.340 -3.195 4.952 1.00 1.00 N ATOM 757 CA CYS B 11 10.628 -2.145 5.909 1.00 1.00 C ATOM 758 C CYS B 11 11.321 -2.732 7.132 1.00 1.00 C ATOM 759 O CYS B 11 11.098 -3.890 7.484 1.00 1.00 O ATOM 760 CB CYS B 11 9.335 -1.436 6.323 1.00 1.00 C ATOM 761 SG CYS B 11 9.578 0.237 7.004 1.00 1.00 S ATOM 0 H CYS B 11 9.391 -3.564 5.004 1.00 1.00 H new ATOM 0 HA CYS B 11 11.291 -1.416 5.443 1.00 1.00 H new ATOM 0 HB2 CYS B 11 8.678 -1.370 5.456 1.00 1.00 H new ATOM 0 HB3 CYS B 11 8.822 -2.047 7.066 1.00 1.00 H new ATOM 0 HG CYS B 11 8.570 0.546 7.765 1.00 1.00 H new ATOM 766 N LEU B 12 12.156 -1.933 7.771 1.00 1.00 N ATOM 767 CA LEU B 12 12.877 -2.372 8.959 1.00 1.00 C ATOM 768 C LEU B 12 12.115 -2.005 10.240 1.00 1.00 C ATOM 769 O LEU B 12 11.858 -2.879 11.070 1.00 1.00 O ATOM 770 CB LEU B 12 14.295 -1.791 8.978 1.00 1.00 C ATOM 771 CG LEU B 12 15.226 -2.338 7.893 1.00 1.00 C ATOM 772 CD1 LEU B 12 16.487 -1.496 7.798 1.00 1.00 C ATOM 773 CD2 LEU B 12 15.574 -3.795 8.177 1.00 1.00 C ATOM 0 H LEU B 12 12.354 -0.973 7.489 1.00 1.00 H new ATOM 0 HA LEU B 12 12.955 -3.459 8.921 1.00 1.00 H new ATOM 0 HB2 LEU B 12 14.231 -0.708 8.870 1.00 1.00 H new ATOM 0 HB3 LEU B 12 14.741 -1.988 9.953 1.00 1.00 H new ATOM 0 HG LEU B 12 14.708 -2.287 6.935 1.00 1.00 H new ATOM 0 HD11 LEU B 12 17.137 -1.900 7.022 1.00 1.00 H new ATOM 0 HD12 LEU B 12 16.221 -0.469 7.550 1.00 1.00 H new ATOM 0 HD13 LEU B 12 17.010 -1.514 8.754 1.00 1.00 H new ATOM 0 HD21 LEU B 12 16.237 -4.170 7.397 1.00 1.00 H new ATOM 0 HD22 LEU B 12 16.073 -3.868 9.143 1.00 1.00 H new ATOM 0 HD23 LEU B 12 14.661 -4.390 8.194 1.00 1.00 H new ATOM 785 N PRO B 13 11.734 -0.718 10.434 1.00 1.00 N ATOM 786 CA PRO B 13 10.989 -0.299 11.628 1.00 1.00 C ATOM 787 C PRO B 13 9.628 -0.985 11.717 1.00 1.00 C ATOM 788 O PRO B 13 9.238 -1.486 12.777 1.00 1.00 O ATOM 789 CB PRO B 13 10.813 1.215 11.447 1.00 1.00 C ATOM 790 CG PRO B 13 11.847 1.610 10.453 1.00 1.00 C ATOM 791 CD PRO B 13 12.008 0.426 9.544 1.00 1.00 C ATOM 0 HA PRO B 13 11.514 -0.564 12.546 1.00 1.00 H new ATOM 0 HB2 PRO B 13 9.811 1.455 11.090 1.00 1.00 H new ATOM 0 HB3 PRO B 13 10.951 1.743 12.390 1.00 1.00 H new ATOM 0 HG2 PRO B 13 11.537 2.493 9.895 1.00 1.00 H new ATOM 0 HG3 PRO B 13 12.788 1.858 10.944 1.00 1.00 H new ATOM 0 HD2 PRO B 13 11.310 0.462 8.707 1.00 1.00 H new ATOM 0 HD3 PRO B 13 13.011 0.376 9.121 1.00 1.00 H new ATOM 799 N CYS B 14 8.914 -1.016 10.598 1.00 1.00 N ATOM 800 CA CYS B 14 7.609 -1.647 10.543 1.00 1.00 C ATOM 801 C CYS B 14 7.754 -3.162 10.399 1.00 1.00 C ATOM 802 O CYS B 14 7.076 -3.926 11.085 1.00 1.00 O ATOM 803 CB CYS B 14 6.808 -1.071 9.378 1.00 1.00 C ATOM 804 SG CYS B 14 6.962 0.738 9.205 1.00 1.00 S ATOM 0 H CYS B 14 9.222 -0.609 9.715 1.00 1.00 H new ATOM 0 HA CYS B 14 7.076 -1.444 11.472 1.00 1.00 H new ATOM 0 HB2 CYS B 14 7.137 -1.545 8.453 1.00 1.00 H new ATOM 0 HB3 CYS B 14 5.757 -1.326 9.510 1.00 1.00 H new ATOM 0 HG CYS B 14 5.967 1.193 8.503 1.00 1.00 H new ATOM 809 N GLY B 15 8.644 -3.585 9.508 1.00 1.00 N ATOM 810 CA GLY B 15 8.866 -5.002 9.293 1.00 1.00 C ATOM 811 C GLY B 15 8.006 -5.553 8.173 1.00 1.00 C ATOM 812 O GLY B 15 8.120 -6.722 7.801 1.00 1.00 O ATOM 0 H GLY B 15 9.217 -2.970 8.930 1.00 1.00 H new ATOM 0 HA2 GLY B 15 9.917 -5.172 9.059 1.00 1.00 H new ATOM 0 HA3 GLY B 15 8.653 -5.545 10.214 1.00 1.00 H new ATOM 816 N ILE B 16 7.150 -4.699 7.629 1.00 1.00 N ATOM 817 CA ILE B 16 6.251 -5.091 6.554 1.00 1.00 C ATOM 818 C ILE B 16 7.004 -5.229 5.233 1.00 1.00 C ATOM 819 O ILE B 16 7.752 -4.333 4.831 1.00 1.00 O ATOM 820 CB ILE B 16 5.098 -4.075 6.389 1.00 1.00 C ATOM 821 CG1 ILE B 16 4.271 -4.001 7.677 1.00 1.00 C ATOM 822 CG2 ILE B 16 4.217 -4.445 5.201 1.00 1.00 C ATOM 823 CD1 ILE B 16 3.127 -3.011 7.609 1.00 1.00 C ATOM 0 H ILE B 16 7.060 -3.725 7.917 1.00 1.00 H new ATOM 0 HA ILE B 16 5.829 -6.059 6.824 1.00 1.00 H new ATOM 0 HB ILE B 16 5.527 -3.092 6.195 1.00 1.00 H new ATOM 0 HG12 ILE B 16 3.871 -4.990 7.899 1.00 1.00 H new ATOM 0 HG13 ILE B 16 4.927 -3.729 8.504 1.00 1.00 H new ATOM 0 HG21 ILE B 16 3.412 -3.716 5.104 1.00 1.00 H new ATOM 0 HG22 ILE B 16 4.816 -4.447 4.290 1.00 1.00 H new ATOM 0 HG23 ILE B 16 3.792 -5.436 5.358 1.00 1.00 H new ATOM 0 HD11 ILE B 16 2.587 -3.013 8.556 1.00 1.00 H new ATOM 0 HD12 ILE B 16 3.521 -2.013 7.418 1.00 1.00 H new ATOM 0 HD13 ILE B 16 2.449 -3.293 6.804 1.00 1.00 H new ATOM 835 N ALA B 17 6.811 -6.359 4.575 1.00 1.00 N ATOM 836 CA ALA B 17 7.447 -6.622 3.296 1.00 1.00 C ATOM 837 C ALA B 17 6.402 -6.627 2.189 1.00 1.00 C ATOM 838 O ALA B 17 5.260 -7.028 2.411 1.00 1.00 O ATOM 839 CB ALA B 17 8.191 -7.950 3.330 1.00 1.00 C ATOM 0 H ALA B 17 6.213 -7.115 4.909 1.00 1.00 H new ATOM 0 HA ALA B 17 8.171 -5.832 3.096 1.00 1.00 H new ATOM 0 HB1 ALA B 17 8.661 -8.129 2.363 1.00 1.00 H new ATOM 0 HB2 ALA B 17 8.957 -7.918 4.105 1.00 1.00 H new ATOM 0 HB3 ALA B 17 7.489 -8.755 3.547 1.00 1.00 H new ATOM 845 N PHE B 18 6.790 -6.177 1.006 1.00 1.00 N ATOM 846 CA PHE B 18 5.877 -6.126 -0.125 1.00 1.00 C ATOM 847 C PHE B 18 6.368 -6.995 -1.268 1.00 1.00 C ATOM 848 O PHE B 18 7.536 -7.374 -1.323 1.00 1.00 O ATOM 849 CB PHE B 18 5.711 -4.689 -0.614 1.00 1.00 C ATOM 850 CG PHE B 18 4.668 -3.917 0.137 1.00 1.00 C ATOM 851 CD1 PHE B 18 3.323 -4.176 -0.063 1.00 1.00 C ATOM 852 CD2 PHE B 18 5.031 -2.933 1.039 1.00 1.00 C ATOM 853 CE1 PHE B 18 2.358 -3.466 0.622 1.00 1.00 C ATOM 854 CE2 PHE B 18 4.071 -2.220 1.727 1.00 1.00 C ATOM 855 CZ PHE B 18 2.733 -2.486 1.519 1.00 1.00 C ATOM 0 H PHE B 18 7.732 -5.842 0.804 1.00 1.00 H new ATOM 0 HA PHE B 18 4.913 -6.507 0.213 1.00 1.00 H new ATOM 0 HB2 PHE B 18 6.667 -4.172 -0.528 1.00 1.00 H new ATOM 0 HB3 PHE B 18 5.450 -4.702 -1.672 1.00 1.00 H new ATOM 0 HD1 PHE B 18 3.025 -4.943 -0.763 1.00 1.00 H new ATOM 0 HD2 PHE B 18 6.077 -2.721 1.206 1.00 1.00 H new ATOM 0 HE1 PHE B 18 1.312 -3.677 0.457 1.00 1.00 H new ATOM 0 HE2 PHE B 18 4.367 -1.454 2.428 1.00 1.00 H new ATOM 0 HZ PHE B 18 1.981 -1.928 2.057 1.00 1.00 H new ATOM 865 N SER B 19 5.459 -7.314 -2.170 1.00 1.00 N ATOM 866 CA SER B 19 5.778 -8.120 -3.332 1.00 1.00 C ATOM 867 C SER B 19 5.482 -7.324 -4.602 1.00 1.00 C ATOM 868 O SER B 19 5.986 -7.633 -5.681 1.00 1.00 O ATOM 869 CB SER B 19 4.978 -9.423 -3.305 1.00 1.00 C ATOM 870 OG SER B 19 5.120 -10.077 -2.053 1.00 1.00 O ATOM 0 H SER B 19 4.483 -7.023 -2.118 1.00 1.00 H new ATOM 0 HA SER B 19 6.838 -8.374 -3.318 1.00 1.00 H new ATOM 0 HB2 SER B 19 3.925 -9.212 -3.493 1.00 1.00 H new ATOM 0 HB3 SER B 19 5.319 -10.081 -4.105 1.00 1.00 H new ATOM 0 HG SER B 19 4.599 -10.907 -2.057 1.00 1.00 H new ATOM 876 N SER B 20 4.656 -6.292 -4.460 1.00 1.00 N ATOM 877 CA SER B 20 4.296 -5.429 -5.571 1.00 1.00 C ATOM 878 C SER B 20 4.973 -4.064 -5.415 1.00 1.00 C ATOM 879 O SER B 20 4.872 -3.430 -4.364 1.00 1.00 O ATOM 880 CB SER B 20 2.775 -5.262 -5.629 1.00 1.00 C ATOM 881 OG SER B 20 2.115 -6.485 -5.339 1.00 1.00 O ATOM 0 H SER B 20 4.221 -6.034 -3.574 1.00 1.00 H new ATOM 0 HA SER B 20 4.636 -5.884 -6.501 1.00 1.00 H new ATOM 0 HB2 SER B 20 2.462 -4.499 -4.916 1.00 1.00 H new ATOM 0 HB3 SER B 20 2.482 -4.913 -6.619 1.00 1.00 H new ATOM 0 HG SER B 20 1.665 -6.416 -4.471 1.00 1.00 H new ATOM 887 N PRO B 21 5.671 -3.592 -6.458 1.00 1.00 N ATOM 888 CA PRO B 21 6.372 -2.303 -6.424 1.00 1.00 C ATOM 889 C PRO B 21 5.420 -1.108 -6.351 1.00 1.00 C ATOM 890 O PRO B 21 5.803 -0.026 -5.903 1.00 1.00 O ATOM 891 CB PRO B 21 7.154 -2.284 -7.739 1.00 1.00 C ATOM 892 CG PRO B 21 6.419 -3.220 -8.638 1.00 1.00 C ATOM 893 CD PRO B 21 5.840 -4.283 -7.749 1.00 1.00 C ATOM 0 HA PRO B 21 6.998 -2.213 -5.536 1.00 1.00 H new ATOM 0 HB2 PRO B 21 7.192 -1.280 -8.161 1.00 1.00 H new ATOM 0 HB3 PRO B 21 8.184 -2.607 -7.590 1.00 1.00 H new ATOM 0 HG2 PRO B 21 5.633 -2.699 -9.185 1.00 1.00 H new ATOM 0 HG3 PRO B 21 7.089 -3.655 -9.380 1.00 1.00 H new ATOM 0 HD2 PRO B 21 4.890 -4.655 -8.133 1.00 1.00 H new ATOM 0 HD3 PRO B 21 6.507 -5.141 -7.662 1.00 1.00 H new ATOM 901 N SER B 22 4.184 -1.313 -6.783 1.00 1.00 N ATOM 902 CA SER B 22 3.181 -0.256 -6.780 1.00 1.00 C ATOM 903 C SER B 22 2.693 0.054 -5.363 1.00 1.00 C ATOM 904 O SER B 22 2.394 1.206 -5.035 1.00 1.00 O ATOM 905 CB SER B 22 2.007 -0.666 -7.670 1.00 1.00 C ATOM 906 OG SER B 22 2.370 -1.759 -8.505 1.00 1.00 O ATOM 0 H SER B 22 3.850 -2.207 -7.142 1.00 1.00 H new ATOM 0 HA SER B 22 3.638 0.652 -7.173 1.00 1.00 H new ATOM 0 HB2 SER B 22 1.153 -0.942 -7.051 1.00 1.00 H new ATOM 0 HB3 SER B 22 1.696 0.180 -8.283 1.00 1.00 H new ATOM 0 HG SER B 22 1.594 -2.343 -8.636 1.00 1.00 H new ATOM 912 N THR B 23 2.638 -0.964 -4.511 1.00 1.00 N ATOM 913 CA THR B 23 2.174 -0.779 -3.142 1.00 1.00 C ATOM 914 C THR B 23 3.250 -0.150 -2.260 1.00 1.00 C ATOM 915 O THR B 23 3.003 0.171 -1.096 1.00 1.00 O ATOM 916 CB THR B 23 1.712 -2.106 -2.527 1.00 1.00 C ATOM 917 OG1 THR B 23 1.762 -3.143 -3.516 1.00 1.00 O ATOM 918 CG2 THR B 23 0.295 -1.974 -1.986 1.00 1.00 C ATOM 0 H THR B 23 2.907 -1.920 -4.743 1.00 1.00 H new ATOM 0 HA THR B 23 1.325 -0.097 -3.188 1.00 1.00 H new ATOM 0 HB THR B 23 2.378 -2.362 -1.703 1.00 1.00 H new ATOM 0 HG1 THR B 23 0.960 -3.098 -4.078 1.00 1.00 H new ATOM 0 HG21 THR B 23 -0.019 -2.924 -1.553 1.00 1.00 H new ATOM 0 HG22 THR B 23 0.269 -1.199 -1.220 1.00 1.00 H new ATOM 0 HG23 THR B 23 -0.381 -1.704 -2.798 1.00 1.00 H new ATOM 926 N LEU B 24 4.442 0.035 -2.817 1.00 1.00 N ATOM 927 CA LEU B 24 5.536 0.652 -2.078 1.00 1.00 C ATOM 928 C LEU B 24 5.191 2.106 -1.778 1.00 1.00 C ATOM 929 O LEU B 24 5.551 2.641 -0.728 1.00 1.00 O ATOM 930 CB LEU B 24 6.847 0.568 -2.864 1.00 1.00 C ATOM 931 CG LEU B 24 7.424 -0.843 -3.016 1.00 1.00 C ATOM 932 CD1 LEU B 24 8.720 -0.809 -3.807 1.00 1.00 C ATOM 933 CD2 LEU B 24 7.653 -1.472 -1.653 1.00 1.00 C ATOM 0 H LEU B 24 4.674 -0.232 -3.774 1.00 1.00 H new ATOM 0 HA LEU B 24 5.673 0.111 -1.142 1.00 1.00 H new ATOM 0 HB2 LEU B 24 6.685 0.986 -3.857 1.00 1.00 H new ATOM 0 HB3 LEU B 24 7.589 1.196 -2.371 1.00 1.00 H new ATOM 0 HG LEU B 24 6.703 -1.451 -3.563 1.00 1.00 H new ATOM 0 HD11 LEU B 24 9.114 -1.821 -3.904 1.00 1.00 H new ATOM 0 HD12 LEU B 24 8.531 -0.397 -4.798 1.00 1.00 H new ATOM 0 HD13 LEU B 24 9.447 -0.185 -3.287 1.00 1.00 H new ATOM 0 HD21 LEU B 24 8.063 -2.474 -1.779 1.00 1.00 H new ATOM 0 HD22 LEU B 24 8.354 -0.862 -1.084 1.00 1.00 H new ATOM 0 HD23 LEU B 24 6.706 -1.532 -1.116 1.00 1.00 H new ATOM 945 N GLU B 25 4.470 2.730 -2.708 1.00 1.00 N ATOM 946 CA GLU B 25 4.039 4.112 -2.554 1.00 1.00 C ATOM 947 C GLU B 25 2.976 4.191 -1.461 1.00 1.00 C ATOM 948 O GLU B 25 2.859 5.192 -0.759 1.00 1.00 O ATOM 949 CB GLU B 25 3.490 4.644 -3.881 1.00 1.00 C ATOM 950 CG GLU B 25 3.313 6.151 -3.911 1.00 1.00 C ATOM 951 CD GLU B 25 1.857 6.551 -3.852 1.00 1.00 C ATOM 952 OE1 GLU B 25 1.138 6.348 -4.849 1.00 1.00 O ATOM 953 OE2 GLU B 25 1.414 7.065 -2.807 1.00 1.00 O ATOM 0 H GLU B 25 4.172 2.294 -3.581 1.00 1.00 H new ATOM 0 HA GLU B 25 4.890 4.729 -2.266 1.00 1.00 H new ATOM 0 HB2 GLU B 25 4.164 4.351 -4.686 1.00 1.00 H new ATOM 0 HB3 GLU B 25 2.529 4.171 -4.082 1.00 1.00 H new ATOM 0 HG2 GLU B 25 3.845 6.595 -3.070 1.00 1.00 H new ATOM 0 HG3 GLU B 25 3.762 6.551 -4.820 1.00 1.00 H new ATOM 960 N ALA B 26 2.211 3.113 -1.329 1.00 1.00 N ATOM 961 CA ALA B 26 1.171 3.013 -0.312 1.00 1.00 C ATOM 962 C ALA B 26 1.804 2.931 1.067 1.00 1.00 C ATOM 963 O ALA B 26 1.310 3.528 2.019 1.00 1.00 O ATOM 964 CB ALA B 26 0.298 1.799 -0.586 1.00 1.00 C ATOM 0 H ALA B 26 2.294 2.287 -1.922 1.00 1.00 H new ATOM 0 HA ALA B 26 0.541 3.902 -0.346 1.00 1.00 H new ATOM 0 HB1 ALA B 26 -0.477 1.729 0.177 1.00 1.00 H new ATOM 0 HB2 ALA B 26 -0.166 1.899 -1.567 1.00 1.00 H new ATOM 0 HB3 ALA B 26 0.911 0.898 -0.564 1.00 1.00 H new ATOM 970 N HIS B 27 2.916 2.212 1.166 1.00 1.00 N ATOM 971 CA HIS B 27 3.605 2.074 2.442 1.00 1.00 C ATOM 972 C HIS B 27 4.102 3.432 2.922 1.00 1.00 C ATOM 973 O HIS B 27 3.858 3.825 4.067 1.00 1.00 O ATOM 974 CB HIS B 27 4.772 1.089 2.342 1.00 1.00 C ATOM 975 CG HIS B 27 5.266 0.634 3.683 1.00 1.00 C ATOM 976 ND1 HIS B 27 4.852 -0.523 4.309 1.00 1.00 N ATOM 977 CD2 HIS B 27 6.152 1.220 4.531 1.00 1.00 C ATOM 978 CE1 HIS B 27 5.478 -0.595 5.494 1.00 1.00 C ATOM 979 NE2 HIS B 27 6.278 0.438 5.673 1.00 1.00 N ATOM 0 H HIS B 27 3.355 1.721 0.387 1.00 1.00 H new ATOM 0 HA HIS B 27 2.893 1.678 3.166 1.00 1.00 H new ATOM 0 HB2 HIS B 27 4.460 0.221 1.761 1.00 1.00 H new ATOM 0 HB3 HIS B 27 5.592 1.558 1.798 1.00 1.00 H new ATOM 0 HD2 HIS B 27 6.675 2.147 4.347 1.00 1.00 H new ATOM 0 HE1 HIS B 27 5.344 -1.394 6.208 1.00 1.00 H new ATOM 0 HE2 HIS B 27 6.868 0.625 6.484 1.00 1.00 H new ATOM 987 N GLN B 28 4.776 4.156 2.038 1.00 1.00 N ATOM 988 CA GLN B 28 5.295 5.477 2.368 1.00 1.00 C ATOM 989 C GLN B 28 4.243 6.542 2.081 1.00 1.00 C ATOM 990 O GLN B 28 4.452 7.448 1.267 1.00 1.00 O ATOM 991 CB GLN B 28 6.578 5.764 1.587 1.00 1.00 C ATOM 992 CG GLN B 28 7.836 5.355 2.334 1.00 1.00 C ATOM 993 CD GLN B 28 8.772 6.521 2.586 1.00 1.00 C ATOM 994 OE1 GLN B 28 9.746 6.722 1.859 1.00 1.00 O ATOM 995 NE2 GLN B 28 8.476 7.307 3.608 1.00 1.00 N ATOM 0 H GLN B 28 4.976 3.850 1.086 1.00 1.00 H new ATOM 0 HA GLN B 28 5.533 5.500 3.431 1.00 1.00 H new ATOM 0 HB2 GLN B 28 6.541 5.237 0.634 1.00 1.00 H new ATOM 0 HB3 GLN B 28 6.628 6.829 1.360 1.00 1.00 H new ATOM 0 HG2 GLN B 28 7.558 4.905 3.287 1.00 1.00 H new ATOM 0 HG3 GLN B 28 8.361 4.590 1.762 1.00 1.00 H new ATOM 0 HE21 GLN B 28 7.660 7.106 4.186 1.00 1.00 H new ATOM 0 HE22 GLN B 28 9.064 8.114 3.818 1.00 1.00 H new ATOM 1004 N ALA B 29 3.108 6.407 2.753 1.00 1.00 N ATOM 1005 CA ALA B 29 1.993 7.327 2.599 1.00 1.00 C ATOM 1006 C ALA B 29 1.096 7.266 3.823 1.00 1.00 C ATOM 1007 O ALA B 29 0.766 8.289 4.423 1.00 1.00 O ATOM 1008 CB ALA B 29 1.188 6.996 1.349 1.00 1.00 C ATOM 0 H ALA B 29 2.936 5.655 3.421 1.00 1.00 H new ATOM 0 HA ALA B 29 2.392 8.336 2.496 1.00 1.00 H new ATOM 0 HB1 ALA B 29 0.359 7.697 1.254 1.00 1.00 H new ATOM 0 HB2 ALA B 29 1.830 7.073 0.472 1.00 1.00 H new ATOM 0 HB3 ALA B 29 0.798 5.981 1.426 1.00 1.00 H new ATOM 1014 N TYR B 30 0.703 6.054 4.189 1.00 1.00 N ATOM 1015 CA TYR B 30 -0.166 5.852 5.338 1.00 1.00 C ATOM 1016 C TYR B 30 0.636 5.462 6.578 1.00 1.00 C ATOM 1017 O TYR B 30 0.348 5.924 7.681 1.00 1.00 O ATOM 1018 CB TYR B 30 -1.208 4.766 5.047 1.00 1.00 C ATOM 1019 CG TYR B 30 -1.879 4.876 3.692 1.00 1.00 C ATOM 1020 CD1 TYR B 30 -2.964 5.720 3.484 1.00 1.00 C ATOM 1021 CD2 TYR B 30 -1.429 4.119 2.621 1.00 1.00 C ATOM 1022 CE1 TYR B 30 -3.574 5.801 2.243 1.00 1.00 C ATOM 1023 CE2 TYR B 30 -2.032 4.194 1.383 1.00 1.00 C ATOM 1024 CZ TYR B 30 -3.102 5.035 1.196 1.00 1.00 C ATOM 1025 OH TYR B 30 -3.702 5.101 -0.042 1.00 1.00 O ATOM 0 H TYR B 30 0.972 5.197 3.707 1.00 1.00 H new ATOM 0 HA TYR B 30 -0.673 6.797 5.530 1.00 1.00 H new ATOM 0 HB2 TYR B 30 -0.726 3.791 5.120 1.00 1.00 H new ATOM 0 HB3 TYR B 30 -1.975 4.801 5.821 1.00 1.00 H new ATOM 0 HD1 TYR B 30 -3.336 6.320 4.301 1.00 1.00 H new ATOM 0 HD2 TYR B 30 -0.588 3.456 2.759 1.00 1.00 H new ATOM 0 HE1 TYR B 30 -4.416 6.461 2.095 1.00 1.00 H new ATOM 0 HE2 TYR B 30 -1.664 3.594 0.564 1.00 1.00 H new ATOM 0 HH TYR B 30 -3.131 4.662 -0.706 1.00 1.00 H new ATOM 1035 N TYR B 31 1.651 4.631 6.392 1.00 1.00 N ATOM 1036 CA TYR B 31 2.458 4.164 7.513 1.00 1.00 C ATOM 1037 C TYR B 31 3.741 4.973 7.671 1.00 1.00 C ATOM 1038 O TYR B 31 3.878 5.753 8.616 1.00 1.00 O ATOM 1039 CB TYR B 31 2.788 2.679 7.347 1.00 1.00 C ATOM 1040 CG TYR B 31 1.915 1.764 8.177 1.00 1.00 C ATOM 1041 CD1 TYR B 31 0.559 2.020 8.345 1.00 1.00 C ATOM 1042 CD2 TYR B 31 2.454 0.647 8.798 1.00 1.00 C ATOM 1043 CE1 TYR B 31 -0.235 1.185 9.109 1.00 1.00 C ATOM 1044 CE2 TYR B 31 1.668 -0.193 9.564 1.00 1.00 C ATOM 1045 CZ TYR B 31 0.324 0.080 9.718 1.00 1.00 C ATOM 1046 OH TYR B 31 -0.464 -0.753 10.484 1.00 1.00 O ATOM 0 H TYR B 31 1.935 4.267 5.482 1.00 1.00 H new ATOM 0 HA TYR B 31 1.868 4.304 8.419 1.00 1.00 H new ATOM 0 HB2 TYR B 31 2.686 2.409 6.296 1.00 1.00 H new ATOM 0 HB3 TYR B 31 3.831 2.515 7.618 1.00 1.00 H new ATOM 0 HD1 TYR B 31 0.119 2.885 7.871 1.00 1.00 H new ATOM 0 HD2 TYR B 31 3.505 0.430 8.681 1.00 1.00 H new ATOM 0 HE1 TYR B 31 -1.287 1.396 9.229 1.00 1.00 H new ATOM 0 HE2 TYR B 31 2.104 -1.059 10.040 1.00 1.00 H new ATOM 0 HH TYR B 31 -1.209 -1.088 9.942 1.00 1.00 H new ATOM 1056 N CYS B 32 4.675 4.788 6.751 1.00 1.00 N ATOM 1057 CA CYS B 32 5.947 5.486 6.814 1.00 1.00 C ATOM 1058 C CYS B 32 5.831 6.905 6.260 1.00 1.00 C ATOM 1059 O CYS B 32 5.975 7.123 5.054 1.00 1.00 O ATOM 1060 CB CYS B 32 7.024 4.696 6.062 1.00 1.00 C ATOM 1061 SG CYS B 32 7.792 3.350 7.032 1.00 1.00 S ATOM 0 H CYS B 32 4.575 4.161 5.953 1.00 1.00 H new ATOM 0 HA CYS B 32 6.238 5.564 7.861 1.00 1.00 H new ATOM 0 HB2 CYS B 32 6.582 4.271 5.161 1.00 1.00 H new ATOM 0 HB3 CYS B 32 7.804 5.386 5.740 1.00 1.00 H new ATOM 0 HG CYS B 32 6.869 2.694 7.670 1.00 1.00 H new ATOM 1066 N SER B 33 5.565 7.849 7.166 1.00 1.00 N ATOM 1067 CA SER B 33 5.438 9.272 6.839 1.00 1.00 C ATOM 1068 C SER B 33 4.145 9.583 6.076 1.00 1.00 C ATOM 1069 O SER B 33 3.914 9.090 4.971 1.00 1.00 O ATOM 1070 CB SER B 33 6.657 9.759 6.045 1.00 1.00 C ATOM 1071 OG SER B 33 7.861 9.556 6.773 1.00 1.00 O ATOM 0 H SER B 33 5.430 7.646 8.156 1.00 1.00 H new ATOM 0 HA SER B 33 5.393 9.811 7.786 1.00 1.00 H new ATOM 0 HB2 SER B 33 6.710 9.229 5.094 1.00 1.00 H new ATOM 0 HB3 SER B 33 6.544 10.818 5.813 1.00 1.00 H new ATOM 0 HG SER B 33 8.621 9.874 6.243 1.00 1.00 H new ATOM 1077 N HIS B 34 3.295 10.404 6.690 1.00 1.00 N ATOM 1078 CA HIS B 34 2.038 10.810 6.072 1.00 1.00 C ATOM 1079 C HIS B 34 2.305 11.829 4.973 1.00 1.00 C ATOM 1080 O HIS B 34 2.417 13.029 5.229 1.00 1.00 O ATOM 1081 CB HIS B 34 1.087 11.396 7.113 1.00 1.00 C ATOM 1082 CG HIS B 34 0.126 10.397 7.681 1.00 1.00 C ATOM 1083 ND1 HIS B 34 0.442 9.565 8.732 1.00 1.00 N ATOM 1084 CD2 HIS B 34 -1.148 10.097 7.337 1.00 1.00 C ATOM 1085 CE1 HIS B 34 -0.594 8.799 9.011 1.00 1.00 C ATOM 1086 NE2 HIS B 34 -1.572 9.104 8.180 1.00 1.00 N ATOM 0 H HIS B 34 3.456 10.801 7.616 1.00 1.00 H new ATOM 0 HA HIS B 34 1.567 9.929 5.636 1.00 1.00 H new ATOM 0 HB2 HIS B 34 1.672 11.826 7.926 1.00 1.00 H new ATOM 0 HB3 HIS B 34 0.524 12.211 6.659 1.00 1.00 H new ATOM 0 HD2 HIS B 34 -1.723 10.555 6.546 1.00 1.00 H new ATOM 0 HE1 HIS B 34 -0.635 8.050 9.788 1.00 1.00 H new ATOM 0 HE2 HIS B 34 -2.495 8.670 8.167 1.00 1.00 H new