USER MOD reduce.3.24.130724 H: found=0, std=0, add=169, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 172 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 135 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 140 HIS : no HD1:sc= -2.5 K(o=-2.5,f=-7.7!) USER MOD Single : A 143 ASN : amide:sc= 0.552 K(o=0.55,f=-0.047) USER MOD Single : A 145 TYR OH : rot -157:sc= 1.21 USER MOD Single : A 149 TYR OH : rot 30:sc= 0 USER MOD Single : A 150 TYR OH : rot 180:sc= 0 USER MOD Single : A 153 ASN : amide:sc= -0.671 K(o=-0.67,f=-0.15) USER MOD Single : A 154 MET CE :methyl 165:sc= 0 (180deg=-0.195) USER MOD Single : A 155 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 135 1.115 -1.048 1.687 1.00 1.00 N ATOM 2 CA SER A 135 1.861 0.128 1.273 1.00 1.00 C ATOM 3 C SER A 135 2.542 -0.102 -0.078 1.00 1.00 C ATOM 4 O SER A 135 3.337 -1.027 -0.228 1.00 1.00 O ATOM 5 CB SER A 135 2.935 0.345 2.341 1.00 1.00 C ATOM 6 OG SER A 135 3.629 1.576 2.159 1.00 1.00 O ATOM 0 HA SER A 135 1.197 0.986 1.168 1.00 1.00 H new ATOM 0 HB2 SER A 135 2.472 0.332 3.328 1.00 1.00 H new ATOM 0 HB3 SER A 135 3.647 -0.480 2.312 1.00 1.00 H new ATOM 0 HG SER A 135 4.305 1.678 2.862 1.00 1.00 H new ATOM 14 N ARG A 136 2.204 0.758 -1.028 1.00 1.00 N ATOM 15 CA ARG A 136 2.982 0.868 -2.251 1.00 1.00 C ATOM 16 C ARG A 136 3.675 2.229 -2.320 1.00 1.00 C ATOM 17 O ARG A 136 3.090 3.204 -2.790 1.00 1.00 O ATOM 18 CB ARG A 136 2.097 0.690 -3.485 1.00 1.00 C ATOM 19 CG ARG A 136 2.925 0.767 -4.769 1.00 1.00 C ATOM 20 CD ARG A 136 3.300 -0.632 -5.265 1.00 1.00 C ATOM 21 NE ARG A 136 4.451 -1.150 -4.491 1.00 1.00 N ATOM 22 CZ ARG A 136 5.719 -0.759 -4.676 1.00 1.00 C ATOM 23 NH1 ARG A 136 6.002 0.189 -5.580 1.00 1.00 N ATOM 24 NH2 ARG A 136 6.703 -1.315 -3.957 1.00 1.00 N ATOM 0 H ARG A 136 1.402 1.385 -0.976 1.00 1.00 H new ATOM 0 HA ARG A 136 3.731 0.076 -2.239 1.00 1.00 H new ATOM 0 HB2 ARG A 136 1.586 -0.271 -3.435 1.00 1.00 H new ATOM 0 HB3 ARG A 136 1.326 1.461 -3.498 1.00 1.00 H new ATOM 0 HG2 ARG A 136 2.359 1.290 -5.540 1.00 1.00 H new ATOM 0 HG3 ARG A 136 3.830 1.347 -4.588 1.00 1.00 H new ATOM 0 HD2 ARG A 136 2.449 -1.304 -5.161 1.00 1.00 H new ATOM 0 HD3 ARG A 136 3.550 -0.596 -6.325 1.00 1.00 H new ATOM 0 HE ARG A 136 4.267 -1.849 -3.771 1.00 1.00 H new ATOM 0 HH11 ARG A 136 5.252 0.612 -6.127 1.00 1.00 H new ATOM 0 HH12 ARG A 136 6.967 0.487 -5.721 1.00 1.00 H new ATOM 0 HH21 ARG A 136 6.487 -2.036 -3.269 1.00 1.00 H new ATOM 0 HH22 ARG A 136 7.668 -1.017 -4.098 1.00 1.00 H new ATOM 38 N PRO A 137 4.944 2.256 -1.830 1.00 1.00 N ATOM 39 CA PRO A 137 5.676 3.505 -1.714 1.00 1.00 C ATOM 40 C PRO A 137 6.157 3.989 -3.084 1.00 1.00 C ATOM 41 O PRO A 137 7.024 3.368 -3.695 1.00 1.00 O ATOM 42 CB PRO A 137 6.817 3.204 -0.756 1.00 1.00 C ATOM 43 CG PRO A 137 6.956 1.691 -0.735 1.00 1.00 C ATOM 44 CD PRO A 137 5.712 1.099 -1.378 1.00 1.00 C ATOM 0 HA PRO A 137 5.060 4.320 -1.335 1.00 1.00 H new ATOM 0 HB2 PRO A 137 7.741 3.676 -1.089 1.00 1.00 H new ATOM 0 HB3 PRO A 137 6.602 3.590 0.240 1.00 1.00 H new ATOM 0 HG2 PRO A 137 7.850 1.382 -1.277 1.00 1.00 H new ATOM 0 HG3 PRO A 137 7.064 1.332 0.288 1.00 1.00 H new ATOM 0 HD2 PRO A 137 5.970 0.444 -2.211 1.00 1.00 H new ATOM 0 HD3 PRO A 137 5.144 0.500 -0.666 1.00 1.00 H new ATOM 52 N LEU A 138 5.571 5.093 -3.524 1.00 1.00 N ATOM 53 CA LEU A 138 5.987 5.714 -4.771 1.00 1.00 C ATOM 54 C LEU A 138 6.121 7.223 -4.562 1.00 1.00 C ATOM 55 O LEU A 138 5.957 8.000 -5.502 1.00 1.00 O ATOM 56 CB LEU A 138 5.033 5.331 -5.903 1.00 1.00 C ATOM 57 CG LEU A 138 5.051 3.861 -6.328 1.00 1.00 C ATOM 58 CD1 LEU A 138 3.834 3.526 -7.193 1.00 1.00 C ATOM 59 CD2 LEU A 138 6.365 3.506 -7.024 1.00 1.00 C ATOM 0 H LEU A 138 4.812 5.573 -3.040 1.00 1.00 H new ATOM 0 HA LEU A 138 6.967 5.346 -5.074 1.00 1.00 H new ATOM 0 HB2 LEU A 138 4.018 5.588 -5.599 1.00 1.00 H new ATOM 0 HB3 LEU A 138 5.270 5.943 -6.773 1.00 1.00 H new ATOM 0 HG LEU A 138 4.988 3.246 -5.431 1.00 1.00 H new ATOM 0 HD11 LEU A 138 3.871 2.476 -7.482 1.00 1.00 H new ATOM 0 HD12 LEU A 138 2.922 3.715 -6.627 1.00 1.00 H new ATOM 0 HD13 LEU A 138 3.841 4.149 -8.088 1.00 1.00 H new ATOM 0 HD21 LEU A 138 6.350 2.456 -7.315 1.00 1.00 H new ATOM 0 HD22 LEU A 138 6.486 4.127 -7.912 1.00 1.00 H new ATOM 0 HD23 LEU A 138 7.197 3.682 -6.342 1.00 1.00 H new ATOM 71 N ILE A 139 6.418 7.594 -3.325 1.00 1.00 N ATOM 72 CA ILE A 139 5.584 8.544 -2.608 1.00 1.00 C ATOM 73 C ILE A 139 4.112 8.250 -2.906 1.00 1.00 C ATOM 74 O ILE A 139 3.706 8.206 -4.066 1.00 1.00 O ATOM 75 CB ILE A 139 6.002 9.979 -2.937 1.00 1.00 C ATOM 76 CG1 ILE A 139 7.524 10.133 -2.881 1.00 1.00 C ATOM 77 CG2 ILE A 139 5.291 10.980 -2.024 1.00 1.00 C ATOM 78 CD1 ILE A 139 8.059 9.784 -1.491 1.00 1.00 C ATOM 0 H ILE A 139 7.224 7.254 -2.801 1.00 1.00 H new ATOM 0 HA ILE A 139 5.721 8.435 -1.532 1.00 1.00 H new ATOM 0 HB ILE A 139 5.693 10.199 -3.959 1.00 1.00 H new ATOM 0 HG12 ILE A 139 7.986 9.485 -3.626 1.00 1.00 H new ATOM 0 HG13 ILE A 139 7.799 11.157 -3.134 1.00 1.00 H new ATOM 0 HG21 ILE A 139 5.606 11.992 -2.279 1.00 1.00 H new ATOM 0 HG22 ILE A 139 4.213 10.891 -2.157 1.00 1.00 H new ATOM 0 HG23 ILE A 139 5.547 10.771 -0.985 1.00 1.00 H new ATOM 0 HD11 ILE A 139 9.143 9.902 -1.478 1.00 1.00 H new ATOM 0 HD12 ILE A 139 7.613 10.449 -0.752 1.00 1.00 H new ATOM 0 HD13 ILE A 139 7.803 8.752 -1.251 1.00 1.00 H new ATOM 90 N HIS A 140 3.353 8.055 -1.837 1.00 1.00 N ATOM 91 CA HIS A 140 1.982 7.594 -1.967 1.00 1.00 C ATOM 92 C HIS A 140 1.144 8.141 -0.809 1.00 1.00 C ATOM 93 O HIS A 140 0.582 7.376 -0.028 1.00 1.00 O ATOM 94 CB HIS A 140 1.929 6.068 -2.067 1.00 1.00 C ATOM 95 CG HIS A 140 2.207 5.357 -0.764 1.00 1.00 C ATOM 96 ND1 HIS A 140 1.455 4.283 -0.320 1.00 1.00 N ATOM 97 CD2 HIS A 140 3.162 5.576 0.185 1.00 1.00 C ATOM 98 CE1 HIS A 140 1.943 3.883 0.845 1.00 1.00 C ATOM 99 NE2 HIS A 140 3.000 4.687 1.157 1.00 1.00 N ATOM 0 H HIS A 140 3.662 8.208 -0.877 1.00 1.00 H new ATOM 0 HA HIS A 140 1.553 7.976 -2.893 1.00 1.00 H new ATOM 0 HB2 HIS A 140 0.944 5.772 -2.428 1.00 1.00 H new ATOM 0 HB3 HIS A 140 2.654 5.738 -2.811 1.00 1.00 H new ATOM 0 HD2 HIS A 140 3.921 6.343 0.151 1.00 1.00 H new ATOM 0 HE1 HIS A 140 1.570 3.064 1.443 1.00 1.00 H new ATOM 0 HE2 HIS A 140 3.572 4.617 1.999 1.00 1.00 H new ATOM 108 N PHE A 141 1.087 9.463 -0.735 1.00 1.00 N ATOM 109 CA PHE A 141 0.163 10.123 0.171 1.00 1.00 C ATOM 110 C PHE A 141 -1.171 9.377 0.232 1.00 1.00 C ATOM 111 O PHE A 141 -1.745 9.038 -0.802 1.00 1.00 O ATOM 112 CB PHE A 141 -0.077 11.530 -0.382 1.00 1.00 C ATOM 113 CG PHE A 141 0.882 12.586 0.168 1.00 1.00 C ATOM 114 CD1 PHE A 141 2.213 12.316 0.257 1.00 1.00 C ATOM 115 CD2 PHE A 141 0.407 13.796 0.567 1.00 1.00 C ATOM 116 CE1 PHE A 141 3.105 13.297 0.767 1.00 1.00 C ATOM 117 CE2 PHE A 141 1.298 14.777 1.077 1.00 1.00 C ATOM 118 CZ PHE A 141 2.628 14.507 1.166 1.00 1.00 C ATOM 0 H PHE A 141 1.666 10.095 -1.288 1.00 1.00 H new ATOM 0 HA PHE A 141 0.581 10.147 1.177 1.00 1.00 H new ATOM 0 HB2 PHE A 141 0.013 11.503 -1.468 1.00 1.00 H new ATOM 0 HB3 PHE A 141 -1.100 11.829 -0.154 1.00 1.00 H new ATOM 0 HD1 PHE A 141 2.591 11.355 -0.060 1.00 1.00 H new ATOM 0 HD2 PHE A 141 -0.649 14.011 0.496 1.00 1.00 H new ATOM 0 HE1 PHE A 141 4.161 13.082 0.838 1.00 1.00 H new ATOM 0 HE2 PHE A 141 0.920 15.737 1.394 1.00 1.00 H new ATOM 0 HZ PHE A 141 3.306 15.253 1.554 1.00 1.00 H new ATOM 128 N GLY A 142 -1.627 9.143 1.454 1.00 1.00 N ATOM 129 CA GLY A 142 -0.715 8.967 2.572 1.00 1.00 C ATOM 130 C GLY A 142 -1.412 8.273 3.744 1.00 1.00 C ATOM 131 O GLY A 142 -1.496 8.829 4.837 1.00 1.00 O ATOM 0 H GLY A 142 -2.616 9.071 1.694 1.00 1.00 H new ATOM 0 HA2 GLY A 142 0.145 8.377 2.255 1.00 1.00 H new ATOM 0 HA3 GLY A 142 -0.336 9.937 2.893 1.00 1.00 H new ATOM 135 N ASN A 143 -1.892 7.068 3.475 1.00 1.00 N ATOM 136 CA ASN A 143 -2.774 6.389 4.410 1.00 1.00 C ATOM 137 C ASN A 143 -2.743 4.885 4.132 1.00 1.00 C ATOM 138 O ASN A 143 -3.328 4.101 4.878 1.00 1.00 O ATOM 139 CB ASN A 143 -4.218 6.868 4.252 1.00 1.00 C ATOM 140 CG ASN A 143 -4.786 7.350 5.589 1.00 1.00 C ATOM 141 OD1 ASN A 143 -5.813 6.891 6.058 1.00 1.00 O ATOM 142 ND2 ASN A 143 -4.061 8.301 6.173 1.00 1.00 N ATOM 0 H ASN A 143 -1.687 6.544 2.624 1.00 1.00 H new ATOM 0 HA ASN A 143 -2.429 6.610 5.420 1.00 1.00 H new ATOM 0 HB2 ASN A 143 -4.259 7.677 3.523 1.00 1.00 H new ATOM 0 HB3 ASN A 143 -4.833 6.057 3.863 1.00 1.00 H new ATOM 0 HD21 ASN A 143 -4.356 8.690 7.068 1.00 1.00 H new ATOM 0 HD22 ASN A 143 -3.210 8.641 5.725 1.00 1.00 H new ATOM 149 N ASP A 144 -2.053 4.527 3.059 1.00 1.00 N ATOM 150 CA ASP A 144 -1.923 3.130 2.684 1.00 1.00 C ATOM 151 C ASP A 144 -3.317 2.512 2.544 1.00 1.00 C ATOM 152 O ASP A 144 -3.643 1.546 3.230 1.00 1.00 O ATOM 153 CB ASP A 144 -1.163 2.342 3.752 1.00 1.00 C ATOM 154 CG ASP A 144 -0.607 0.994 3.287 1.00 1.00 C ATOM 155 OD1 ASP A 144 -1.058 0.533 2.216 1.00 1.00 O ATOM 156 OD2 ASP A 144 0.255 0.454 4.014 1.00 1.00 O ATOM 0 H ASP A 144 -1.578 5.181 2.437 1.00 1.00 H new ATOM 0 HA ASP A 144 -1.376 3.083 1.743 1.00 1.00 H new ATOM 0 HB2 ASP A 144 -0.337 2.954 4.114 1.00 1.00 H new ATOM 0 HB3 ASP A 144 -1.828 2.171 4.598 1.00 1.00 H new ATOM 161 N TYR A 145 -4.101 3.096 1.650 1.00 1.00 N ATOM 162 CA TYR A 145 -5.402 2.541 1.319 1.00 1.00 C ATOM 163 C TYR A 145 -5.269 1.383 0.329 1.00 1.00 C ATOM 164 O TYR A 145 -6.183 1.121 -0.451 1.00 1.00 O ATOM 165 CB TYR A 145 -6.189 3.674 0.658 1.00 1.00 C ATOM 166 CG TYR A 145 -5.328 4.625 -0.177 1.00 1.00 C ATOM 167 CD1 TYR A 145 -4.927 4.258 -1.446 1.00 1.00 C ATOM 168 CD2 TYR A 145 -4.951 5.849 0.339 1.00 1.00 C ATOM 169 CE1 TYR A 145 -4.117 5.152 -2.231 1.00 1.00 C ATOM 170 CE2 TYR A 145 -4.141 6.742 -0.448 1.00 1.00 C ATOM 171 CZ TYR A 145 -3.764 6.350 -1.693 1.00 1.00 C ATOM 172 OH TYR A 145 -2.999 7.194 -2.436 1.00 1.00 O ATOM 0 H TYR A 145 -3.860 3.948 1.144 1.00 1.00 H new ATOM 0 HA TYR A 145 -5.893 2.157 2.213 1.00 1.00 H new ATOM 0 HB2 TYR A 145 -6.960 3.243 0.019 1.00 1.00 H new ATOM 0 HB3 TYR A 145 -6.700 4.247 1.432 1.00 1.00 H new ATOM 0 HD1 TYR A 145 -5.221 3.300 -1.850 1.00 1.00 H new ATOM 0 HD2 TYR A 145 -5.263 6.136 1.332 1.00 1.00 H new ATOM 0 HE1 TYR A 145 -3.797 4.877 -3.225 1.00 1.00 H new ATOM 0 HE2 TYR A 145 -3.840 7.703 -0.057 1.00 1.00 H new ATOM 0 HH TYR A 145 -2.524 7.812 -1.843 1.00 1.00 H new ATOM 182 N GLU A 146 -4.123 0.721 0.392 1.00 1.00 N ATOM 183 CA GLU A 146 -3.628 -0.027 -0.751 1.00 1.00 C ATOM 184 C GLU A 146 -3.575 -1.520 -0.424 1.00 1.00 C ATOM 185 O GLU A 146 -3.016 -2.307 -1.187 1.00 1.00 O ATOM 186 CB GLU A 146 -2.254 0.487 -1.188 1.00 1.00 C ATOM 187 CG GLU A 146 -2.276 2.002 -1.398 1.00 1.00 C ATOM 188 CD GLU A 146 -0.869 2.592 -1.292 1.00 1.00 C ATOM 189 OE1 GLU A 146 -0.120 2.118 -0.410 1.00 1.00 O ATOM 190 OE2 GLU A 146 -0.572 3.502 -2.095 1.00 1.00 O ATOM 0 H GLU A 146 -3.523 0.687 1.216 1.00 1.00 H new ATOM 0 HA GLU A 146 -4.317 0.119 -1.583 1.00 1.00 H new ATOM 0 HB2 GLU A 146 -1.510 0.232 -0.434 1.00 1.00 H new ATOM 0 HB3 GLU A 146 -1.954 -0.007 -2.112 1.00 1.00 H new ATOM 0 HG2 GLU A 146 -2.697 2.231 -2.377 1.00 1.00 H new ATOM 0 HG3 GLU A 146 -2.925 2.466 -0.656 1.00 1.00 H new ATOM 197 N ASP A 147 -4.165 -1.867 0.710 1.00 1.00 N ATOM 198 CA ASP A 147 -4.081 -3.227 1.212 1.00 1.00 C ATOM 199 C ASP A 147 -4.497 -4.201 0.108 1.00 1.00 C ATOM 200 O ASP A 147 -3.914 -5.276 -0.030 1.00 1.00 O ATOM 201 CB ASP A 147 -5.020 -3.435 2.402 1.00 1.00 C ATOM 202 CG ASP A 147 -4.991 -4.837 3.013 1.00 1.00 C ATOM 203 OD1 ASP A 147 -3.885 -5.257 3.417 1.00 1.00 O ATOM 204 OD2 ASP A 147 -6.076 -5.458 3.060 1.00 1.00 O ATOM 0 H ASP A 147 -4.704 -1.229 1.296 1.00 1.00 H new ATOM 0 HA ASP A 147 -3.053 -3.406 1.528 1.00 1.00 H new ATOM 0 HB2 ASP A 147 -4.765 -2.712 3.177 1.00 1.00 H new ATOM 0 HB3 ASP A 147 -6.039 -3.215 2.084 1.00 1.00 H new ATOM 209 N ARG A 148 -5.502 -3.791 -0.651 1.00 1.00 N ATOM 210 CA ARG A 148 -6.187 -4.708 -1.547 1.00 1.00 C ATOM 211 C ARG A 148 -5.268 -5.109 -2.701 1.00 1.00 C ATOM 212 O ARG A 148 -5.562 -6.052 -3.435 1.00 1.00 O ATOM 213 CB ARG A 148 -7.460 -4.075 -2.114 1.00 1.00 C ATOM 214 CG ARG A 148 -8.423 -3.681 -0.992 1.00 1.00 C ATOM 215 CD ARG A 148 -9.632 -2.926 -1.548 1.00 1.00 C ATOM 216 NE ARG A 148 -9.187 -1.687 -2.224 1.00 1.00 N ATOM 217 CZ ARG A 148 -8.704 -0.613 -1.585 1.00 1.00 C ATOM 218 NH1 ARG A 148 -8.584 -0.626 -0.250 1.00 1.00 N ATOM 219 NH2 ARG A 148 -8.340 0.474 -2.280 1.00 1.00 N ATOM 0 H ARG A 148 -5.859 -2.836 -0.664 1.00 1.00 H new ATOM 0 HA ARG A 148 -6.459 -5.593 -0.971 1.00 1.00 H new ATOM 0 HB2 ARG A 148 -7.202 -3.195 -2.702 1.00 1.00 H new ATOM 0 HB3 ARG A 148 -7.950 -4.777 -2.789 1.00 1.00 H new ATOM 0 HG2 ARG A 148 -8.758 -4.574 -0.465 1.00 1.00 H new ATOM 0 HG3 ARG A 148 -7.904 -3.058 -0.264 1.00 1.00 H new ATOM 0 HD2 ARG A 148 -10.175 -3.559 -2.250 1.00 1.00 H new ATOM 0 HD3 ARG A 148 -10.322 -2.682 -0.740 1.00 1.00 H new ATOM 0 HE ARG A 148 -9.252 -1.648 -3.241 1.00 1.00 H new ATOM 0 HH11 ARG A 148 -8.860 -1.453 0.279 1.00 1.00 H new ATOM 0 HH12 ARG A 148 -8.216 0.191 0.237 1.00 1.00 H new ATOM 0 HH21 ARG A 148 -8.431 0.484 -3.296 1.00 1.00 H new ATOM 0 HH22 ARG A 148 -7.972 1.291 -1.793 1.00 1.00 H new ATOM 233 N TYR A 149 -4.172 -4.374 -2.827 1.00 1.00 N ATOM 234 CA TYR A 149 -3.275 -4.555 -3.956 1.00 1.00 C ATOM 235 C TYR A 149 -1.863 -4.904 -3.482 1.00 1.00 C ATOM 236 O TYR A 149 -1.258 -5.856 -3.973 1.00 1.00 O ATOM 237 CB TYR A 149 -3.237 -3.209 -4.683 1.00 1.00 C ATOM 238 CG TYR A 149 -4.611 -2.558 -4.858 1.00 1.00 C ATOM 239 CD1 TYR A 149 -5.560 -3.152 -5.666 1.00 1.00 C ATOM 240 CD2 TYR A 149 -4.901 -1.376 -4.208 1.00 1.00 C ATOM 241 CE1 TYR A 149 -6.851 -2.539 -5.832 1.00 1.00 C ATOM 242 CE2 TYR A 149 -6.194 -0.762 -4.373 1.00 1.00 C ATOM 243 CZ TYR A 149 -7.105 -1.374 -5.176 1.00 1.00 C ATOM 244 OH TYR A 149 -8.326 -0.795 -5.332 1.00 1.00 O ATOM 0 H TYR A 149 -3.885 -3.652 -2.166 1.00 1.00 H new ATOM 0 HA TYR A 149 -3.621 -5.367 -4.596 1.00 1.00 H new ATOM 0 HB2 TYR A 149 -2.591 -2.527 -4.130 1.00 1.00 H new ATOM 0 HB3 TYR A 149 -2.785 -3.350 -5.665 1.00 1.00 H new ATOM 0 HD1 TYR A 149 -5.333 -4.078 -6.174 1.00 1.00 H new ATOM 0 HD2 TYR A 149 -4.159 -0.911 -3.576 1.00 1.00 H new ATOM 0 HE1 TYR A 149 -7.601 -2.993 -6.463 1.00 1.00 H new ATOM 0 HE2 TYR A 149 -6.434 0.163 -3.870 1.00 1.00 H new ATOM 0 HH TYR A 149 -8.998 -1.489 -5.497 1.00 1.00 H new ATOM 254 N TYR A 150 -1.378 -4.115 -2.534 1.00 1.00 N ATOM 255 CA TYR A 150 0.018 -4.188 -2.141 1.00 1.00 C ATOM 256 C TYR A 150 0.167 -4.076 -0.623 1.00 1.00 C ATOM 257 O TYR A 150 0.539 -3.021 -0.108 1.00 1.00 O ATOM 258 CB TYR A 150 0.705 -2.990 -2.799 1.00 1.00 C ATOM 259 CG TYR A 150 0.823 -3.100 -4.321 1.00 1.00 C ATOM 260 CD1 TYR A 150 1.775 -3.928 -4.881 1.00 1.00 C ATOM 261 CD2 TYR A 150 -0.022 -2.370 -5.134 1.00 1.00 C ATOM 262 CE1 TYR A 150 1.885 -4.031 -6.313 1.00 1.00 C ATOM 263 CE2 TYR A 150 0.090 -2.473 -6.566 1.00 1.00 C ATOM 264 CZ TYR A 150 1.038 -3.299 -7.084 1.00 1.00 C ATOM 265 OH TYR A 150 1.144 -3.396 -8.437 1.00 1.00 O ATOM 0 H TYR A 150 -1.928 -3.422 -2.027 1.00 1.00 H new ATOM 0 HA TYR A 150 0.453 -5.139 -2.447 1.00 1.00 H new ATOM 0 HB2 TYR A 150 0.150 -2.085 -2.552 1.00 1.00 H new ATOM 0 HB3 TYR A 150 1.703 -2.878 -2.374 1.00 1.00 H new ATOM 0 HD1 TYR A 150 2.437 -4.498 -4.246 1.00 1.00 H new ATOM 0 HD2 TYR A 150 -0.767 -1.722 -4.696 1.00 1.00 H new ATOM 0 HE1 TYR A 150 2.624 -4.676 -6.765 1.00 1.00 H new ATOM 0 HE2 TYR A 150 -0.564 -1.907 -7.213 1.00 1.00 H new ATOM 0 HH TYR A 150 0.475 -2.818 -8.860 1.00 1.00 H new ATOM 275 N ARG A 151 -0.130 -5.175 0.053 1.00 1.00 N ATOM 276 CA ARG A 151 0.263 -5.329 1.443 1.00 1.00 C ATOM 277 C ARG A 151 1.650 -5.968 1.536 1.00 1.00 C ATOM 278 O ARG A 151 1.832 -6.969 2.226 1.00 1.00 O ATOM 279 CB ARG A 151 -0.742 -6.196 2.207 1.00 1.00 C ATOM 280 CG ARG A 151 -1.045 -7.485 1.443 1.00 1.00 C ATOM 281 CD ARG A 151 -1.793 -8.484 2.329 1.00 1.00 C ATOM 282 NE ARG A 151 -3.027 -7.865 2.860 1.00 1.00 N ATOM 283 CZ ARG A 151 -3.892 -8.490 3.669 1.00 1.00 C ATOM 284 NH1 ARG A 151 -3.591 -9.696 4.169 1.00 1.00 N ATOM 285 NH2 ARG A 151 -5.060 -7.909 3.978 1.00 1.00 N ATOM 0 H ARG A 151 -0.639 -5.969 -0.336 1.00 1.00 H new ATOM 0 HA ARG A 151 0.286 -4.336 1.892 1.00 1.00 H new ATOM 0 HB2 ARG A 151 -0.344 -6.438 3.192 1.00 1.00 H new ATOM 0 HB3 ARG A 151 -1.664 -5.637 2.364 1.00 1.00 H new ATOM 0 HG2 ARG A 151 -1.643 -7.257 0.561 1.00 1.00 H new ATOM 0 HG3 ARG A 151 -0.115 -7.931 1.091 1.00 1.00 H new ATOM 0 HD2 ARG A 151 -2.042 -9.376 1.755 1.00 1.00 H new ATOM 0 HD3 ARG A 151 -1.153 -8.803 3.152 1.00 1.00 H new ATOM 0 HE ARG A 151 -3.232 -6.902 2.593 1.00 1.00 H new ATOM 0 HH11 ARG A 151 -2.703 -10.138 3.934 1.00 1.00 H new ATOM 0 HH12 ARG A 151 -4.250 -10.172 4.785 1.00 1.00 H new ATOM 0 HH21 ARG A 151 -5.290 -6.991 3.597 1.00 1.00 H new ATOM 0 HH22 ARG A 151 -5.719 -8.385 4.594 1.00 1.00 H new ATOM 299 N GLU A 152 2.593 -5.362 0.829 1.00 1.00 N ATOM 300 CA GLU A 152 3.966 -5.839 0.850 1.00 1.00 C ATOM 301 C GLU A 152 4.643 -5.449 2.166 1.00 1.00 C ATOM 302 O GLU A 152 5.832 -5.134 2.188 1.00 1.00 O ATOM 303 CB GLU A 152 4.750 -5.303 -0.349 1.00 1.00 C ATOM 304 CG GLU A 152 4.698 -3.775 -0.402 1.00 1.00 C ATOM 305 CD GLU A 152 5.209 -3.254 -1.746 1.00 1.00 C ATOM 306 OE1 GLU A 152 4.390 -3.218 -2.689 1.00 1.00 O ATOM 307 OE2 GLU A 152 6.408 -2.904 -1.801 1.00 1.00 O ATOM 0 H GLU A 152 2.434 -4.546 0.239 1.00 1.00 H new ATOM 0 HA GLU A 152 3.954 -6.927 0.778 1.00 1.00 H new ATOM 0 HB2 GLU A 152 5.787 -5.633 -0.286 1.00 1.00 H new ATOM 0 HB3 GLU A 152 4.339 -5.716 -1.270 1.00 1.00 H new ATOM 0 HG2 GLU A 152 3.674 -3.437 -0.243 1.00 1.00 H new ATOM 0 HG3 GLU A 152 5.300 -3.359 0.406 1.00 1.00 H new ATOM 314 N ASN A 153 3.856 -5.481 3.231 1.00 1.00 N ATOM 315 CA ASN A 153 4.362 -5.126 4.547 1.00 1.00 C ATOM 316 C ASN A 153 3.471 -5.756 5.618 1.00 1.00 C ATOM 317 O ASN A 153 3.530 -5.372 6.785 1.00 1.00 O ATOM 318 CB ASN A 153 4.348 -3.610 4.752 1.00 1.00 C ATOM 319 CG ASN A 153 2.952 -3.036 4.498 1.00 1.00 C ATOM 320 OD1 ASN A 153 2.616 -2.615 3.403 1.00 1.00 O ATOM 321 ND2 ASN A 153 2.163 -3.041 5.567 1.00 1.00 N ATOM 0 H ASN A 153 2.872 -5.747 3.210 1.00 1.00 H new ATOM 0 HA ASN A 153 5.386 -5.491 4.624 1.00 1.00 H new ATOM 0 HB2 ASN A 153 4.663 -3.374 5.768 1.00 1.00 H new ATOM 0 HB3 ASN A 153 5.066 -3.142 4.079 1.00 1.00 H new ATOM 0 HD21 ASN A 153 1.212 -2.677 5.501 1.00 1.00 H new ATOM 0 HD22 ASN A 153 2.508 -3.408 6.454 1.00 1.00 H new ATOM 328 N MET A 154 2.665 -6.714 5.185 1.00 1.00 N ATOM 329 CA MET A 154 1.731 -7.371 6.082 1.00 1.00 C ATOM 330 C MET A 154 1.274 -8.715 5.513 1.00 1.00 C ATOM 331 O MET A 154 1.111 -8.856 4.301 1.00 1.00 O ATOM 332 CB MET A 154 0.515 -6.470 6.303 1.00 1.00 C ATOM 333 CG MET A 154 -0.350 -6.986 7.456 1.00 1.00 C ATOM 334 SD MET A 154 -1.735 -5.892 7.717 1.00 1.00 S ATOM 335 CE MET A 154 -2.782 -6.389 6.360 1.00 1.00 C ATOM 0 H MET A 154 2.640 -7.051 4.223 1.00 1.00 H new ATOM 0 HA MET A 154 2.237 -7.554 7.030 1.00 1.00 H new ATOM 0 HB2 MET A 154 0.846 -5.454 6.519 1.00 1.00 H new ATOM 0 HB3 MET A 154 -0.079 -6.425 5.390 1.00 1.00 H new ATOM 0 HG2 MET A 154 -0.707 -7.991 7.232 1.00 1.00 H new ATOM 0 HG3 MET A 154 0.246 -7.055 8.366 1.00 1.00 H new ATOM 0 HE1 MET A 154 -3.790 -6.006 6.519 1.00 1.00 H new ATOM 0 HE2 MET A 154 -2.384 -5.988 5.428 1.00 1.00 H new ATOM 0 HE3 MET A 154 -2.812 -7.477 6.303 1.00 1.00 H new ATOM 345 N TYR A 155 1.079 -9.668 6.412 1.00 1.00 N ATOM 346 CA TYR A 155 0.468 -10.933 6.041 1.00 1.00 C ATOM 347 C TYR A 155 -0.979 -10.730 5.586 1.00 1.00 C ATOM 348 O TYR A 155 -1.768 -10.223 6.412 1.00 1.00 O ATOM 349 CB TYR A 155 0.475 -11.792 7.308 1.00 1.00 C ATOM 350 CG TYR A 155 -0.035 -13.219 7.095 1.00 1.00 C ATOM 351 CD1 TYR A 155 -1.387 -13.486 7.160 1.00 1.00 C ATOM 352 CD2 TYR A 155 0.859 -14.239 6.836 1.00 1.00 C ATOM 353 CE1 TYR A 155 -1.866 -14.829 6.960 1.00 1.00 C ATOM 354 CE2 TYR A 155 0.380 -15.582 6.636 1.00 1.00 C ATOM 355 CZ TYR A 155 -0.960 -15.811 6.707 1.00 1.00 C ATOM 356 OH TYR A 155 -1.412 -17.079 6.518 1.00 1.00 O ATOM 357 OXT TYR A 155 -1.263 -11.085 4.422 1.00 1.00 O ATOM 0 H TYR A 155 1.333 -9.590 7.397 1.00 1.00 H new ATOM 0 HA TYR A 155 1.013 -11.396 5.218 1.00 1.00 H new ATOM 0 HB2 TYR A 155 1.491 -11.835 7.700 1.00 1.00 H new ATOM 0 HB3 TYR A 155 -0.139 -11.307 8.067 1.00 1.00 H new ATOM 0 HD1 TYR A 155 -2.086 -12.688 7.361 1.00 1.00 H new ATOM 0 HD2 TYR A 155 1.917 -14.029 6.783 1.00 1.00 H new ATOM 0 HE1 TYR A 155 -2.922 -15.052 7.010 1.00 1.00 H new ATOM 0 HE2 TYR A 155 1.068 -16.389 6.434 1.00 1.00 H new ATOM 0 HH TYR A 155 -0.653 -17.675 6.346 1.00 1.00 H new TER 367 TYR A 155