USER MOD reduce.3.24.130724 H: found=0, std=0, add=458, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 459 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 Single : A 146 TYR OH : rot -73:sc= 0.0124 USER MOD Single : A 151 GLN : amide:sc= 0 X(o=0,f=-0.0051) USER MOD Single : A 156 LYS NZ :NH3+ -129:sc= 0 (180deg=-0.879) USER MOD Single : A 166 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 167 ASN : amide:sc= -0.105 X(o=-0.11,f=0) USER MOD Single : A 175 THR OG1 : rot 180:sc= 0 USER MOD Single : A 178 THR OG1 : rot -170:sc= 0.125 USER MOD Single : A 186 TYR OH : rot 180:sc= -0.0382 USER MOD Single : A 193 MET CE :methyl 161:sc= -5.72! (180deg=-7.33!) USER MOD Single : A 196 SER OG : rot 24:sc= 0.0339 USER MOD Single : A 201 ASN :FLIP amide:sc= -2.84! C(o=-8.2!,f=-2.8!) USER MOD ----------------------------------------------------------------- ATOM 40 N TYR A 146 5.465 -3.384 -6.757 1.00 0.00 N ATOM 41 CA TYR A 146 4.182 -3.464 -6.000 1.00 0.00 C ATOM 42 C TYR A 146 3.367 -2.195 -6.237 1.00 0.00 C ATOM 43 O TYR A 146 3.840 -1.095 -6.032 1.00 0.00 O ATOM 44 CB TYR A 146 4.475 -3.589 -4.504 1.00 0.00 C ATOM 45 CG TYR A 146 5.206 -4.875 -4.221 1.00 0.00 C ATOM 46 CD1 TYR A 146 4.946 -6.019 -4.987 1.00 0.00 C ATOM 47 CD2 TYR A 146 6.138 -4.926 -3.180 1.00 0.00 C ATOM 48 CE1 TYR A 146 5.622 -7.214 -4.710 1.00 0.00 C ATOM 49 CE2 TYR A 146 6.813 -6.118 -2.902 1.00 0.00 C ATOM 50 CZ TYR A 146 6.557 -7.264 -3.666 1.00 0.00 C ATOM 51 OH TYR A 146 7.224 -8.440 -3.392 1.00 0.00 O ATOM 0 HA TYR A 146 3.621 -4.334 -6.342 1.00 0.00 H new ATOM 0 HB2 TYR A 146 5.074 -2.741 -4.172 1.00 0.00 H new ATOM 0 HB3 TYR A 146 3.543 -3.561 -3.940 1.00 0.00 H new ATOM 0 HD1 TYR A 146 4.225 -5.979 -5.790 1.00 0.00 H new ATOM 0 HD2 TYR A 146 6.337 -4.043 -2.590 1.00 0.00 H new ATOM 0 HE1 TYR A 146 5.423 -8.096 -5.300 1.00 0.00 H new ATOM 0 HE2 TYR A 146 7.533 -6.156 -2.097 1.00 0.00 H new ATOM 0 HH TYR A 146 6.608 -9.075 -2.970 1.00 0.00 H new ATOM 61 N ARG A 147 2.139 -2.333 -6.654 1.00 0.00 N ATOM 62 CA ARG A 147 1.298 -1.126 -6.886 1.00 0.00 C ATOM 63 C ARG A 147 1.011 -0.456 -5.542 1.00 0.00 C ATOM 64 O ARG A 147 0.243 -0.951 -4.740 1.00 0.00 O ATOM 65 CB ARG A 147 -0.016 -1.524 -7.550 1.00 0.00 C ATOM 66 CG ARG A 147 -0.510 -2.826 -6.935 1.00 0.00 C ATOM 67 CD ARG A 147 -2.008 -2.975 -7.194 1.00 0.00 C ATOM 68 NE ARG A 147 -2.249 -4.193 -8.018 1.00 0.00 N ATOM 69 CZ ARG A 147 -3.318 -4.915 -7.820 1.00 0.00 C ATOM 70 NH1 ARG A 147 -4.460 -4.334 -7.572 1.00 0.00 N ATOM 71 NH2 ARG A 147 -3.246 -6.217 -7.872 1.00 0.00 N ATOM 0 H ARG A 147 1.683 -3.226 -6.843 1.00 0.00 H new ATOM 0 HA ARG A 147 1.828 -0.434 -7.541 1.00 0.00 H new ATOM 0 HB2 ARG A 147 -0.759 -0.738 -7.414 1.00 0.00 H new ATOM 0 HB3 ARG A 147 0.127 -1.646 -8.624 1.00 0.00 H new ATOM 0 HG2 ARG A 147 0.030 -3.671 -7.363 1.00 0.00 H new ATOM 0 HG3 ARG A 147 -0.313 -2.832 -5.863 1.00 0.00 H new ATOM 0 HD2 ARG A 147 -2.546 -3.050 -6.249 1.00 0.00 H new ATOM 0 HD3 ARG A 147 -2.389 -2.093 -7.709 1.00 0.00 H new ATOM 0 HE ARG A 147 -1.578 -4.463 -8.737 1.00 0.00 H new ATOM 0 HH11 ARG A 147 -4.517 -3.316 -7.533 1.00 0.00 H new ATOM 0 HH12 ARG A 147 -5.296 -4.898 -7.417 1.00 0.00 H new ATOM 0 HH21 ARG A 147 -2.354 -6.671 -8.067 1.00 0.00 H new ATOM 0 HH22 ARG A 147 -4.082 -6.781 -7.717 1.00 0.00 H new ATOM 85 N GLY A 148 1.628 0.661 -5.288 1.00 0.00 N ATOM 86 CA GLY A 148 1.404 1.364 -3.993 1.00 0.00 C ATOM 87 C GLY A 148 2.743 1.524 -3.269 1.00 0.00 C ATOM 88 O GLY A 148 2.979 2.501 -2.586 1.00 0.00 O ATOM 0 H GLY A 148 2.281 1.121 -5.923 1.00 0.00 H new ATOM 0 HA2 GLY A 148 0.953 2.341 -4.169 1.00 0.00 H new ATOM 0 HA3 GLY A 148 0.708 0.798 -3.374 1.00 0.00 H new ATOM 92 N VAL A 149 3.623 0.571 -3.417 1.00 0.00 N ATOM 93 CA VAL A 149 4.950 0.666 -2.746 1.00 0.00 C ATOM 94 C VAL A 149 5.872 1.560 -3.577 1.00 0.00 C ATOM 95 O VAL A 149 6.152 1.281 -4.726 1.00 0.00 O ATOM 96 CB VAL A 149 5.560 -0.734 -2.632 1.00 0.00 C ATOM 97 CG1 VAL A 149 6.869 -0.666 -1.850 1.00 0.00 C ATOM 98 CG2 VAL A 149 4.588 -1.657 -1.898 1.00 0.00 C ATOM 0 H VAL A 149 3.479 -0.271 -3.975 1.00 0.00 H new ATOM 0 HA VAL A 149 4.830 1.092 -1.750 1.00 0.00 H new ATOM 0 HB VAL A 149 5.753 -1.121 -3.633 1.00 0.00 H new ATOM 0 HG11 VAL A 149 7.299 -1.665 -1.772 1.00 0.00 H new ATOM 0 HG12 VAL A 149 7.568 -0.010 -2.368 1.00 0.00 H new ATOM 0 HG13 VAL A 149 6.676 -0.275 -0.851 1.00 0.00 H new ATOM 0 HG21 VAL A 149 5.023 -2.653 -1.817 1.00 0.00 H new ATOM 0 HG22 VAL A 149 4.396 -1.263 -0.900 1.00 0.00 H new ATOM 0 HG23 VAL A 149 3.651 -1.714 -2.452 1.00 0.00 H new ATOM 108 N ARG A 150 6.340 2.638 -3.010 1.00 0.00 N ATOM 109 CA ARG A 150 7.236 3.552 -3.773 1.00 0.00 C ATOM 110 C ARG A 150 8.689 3.316 -3.361 1.00 0.00 C ATOM 111 O ARG A 150 9.134 3.777 -2.329 1.00 0.00 O ATOM 112 CB ARG A 150 6.854 5.003 -3.471 1.00 0.00 C ATOM 113 CG ARG A 150 5.674 5.414 -4.350 1.00 0.00 C ATOM 114 CD ARG A 150 5.761 6.910 -4.654 1.00 0.00 C ATOM 115 NE ARG A 150 4.851 7.241 -5.787 1.00 0.00 N ATOM 116 CZ ARG A 150 3.696 7.802 -5.554 1.00 0.00 C ATOM 117 NH1 ARG A 150 2.739 7.118 -4.988 1.00 0.00 N ATOM 118 NH2 ARG A 150 3.498 9.048 -5.888 1.00 0.00 N ATOM 0 H ARG A 150 6.141 2.925 -2.052 1.00 0.00 H new ATOM 0 HA ARG A 150 7.127 3.356 -4.840 1.00 0.00 H new ATOM 0 HB2 ARG A 150 6.591 5.109 -2.418 1.00 0.00 H new ATOM 0 HB3 ARG A 150 7.704 5.660 -3.655 1.00 0.00 H new ATOM 0 HG2 ARG A 150 5.682 4.842 -5.278 1.00 0.00 H new ATOM 0 HG3 ARG A 150 4.735 5.189 -3.845 1.00 0.00 H new ATOM 0 HD2 ARG A 150 5.486 7.488 -3.772 1.00 0.00 H new ATOM 0 HD3 ARG A 150 6.786 7.182 -4.906 1.00 0.00 H new ATOM 0 HE ARG A 150 5.131 7.029 -6.745 1.00 0.00 H new ATOM 0 HH11 ARG A 150 2.894 6.144 -4.727 1.00 0.00 H new ATOM 0 HH12 ARG A 150 1.837 7.558 -4.806 1.00 0.00 H new ATOM 0 HH21 ARG A 150 4.246 9.582 -6.331 1.00 0.00 H new ATOM 0 HH22 ARG A 150 2.596 9.487 -5.706 1.00 0.00 H new ATOM 132 N GLN A 151 9.435 2.607 -4.163 1.00 0.00 N ATOM 133 CA GLN A 151 10.861 2.353 -3.819 1.00 0.00 C ATOM 134 C GLN A 151 11.611 3.685 -3.777 1.00 0.00 C ATOM 135 O GLN A 151 11.337 4.586 -4.546 1.00 0.00 O ATOM 136 CB GLN A 151 11.486 1.440 -4.874 1.00 0.00 C ATOM 137 CG GLN A 151 11.304 2.061 -6.260 1.00 0.00 C ATOM 138 CD GLN A 151 12.579 1.863 -7.081 1.00 0.00 C ATOM 139 OE1 GLN A 151 13.596 2.465 -6.802 1.00 0.00 O ATOM 140 NE2 GLN A 151 12.567 1.037 -8.091 1.00 0.00 N ATOM 0 H GLN A 151 9.119 2.193 -5.040 1.00 0.00 H new ATOM 0 HA GLN A 151 10.925 1.868 -2.845 1.00 0.00 H new ATOM 0 HB2 GLN A 151 12.546 1.297 -4.664 1.00 0.00 H new ATOM 0 HB3 GLN A 151 11.019 0.456 -4.841 1.00 0.00 H new ATOM 0 HG2 GLN A 151 10.457 1.600 -6.768 1.00 0.00 H new ATOM 0 HG3 GLN A 151 11.080 3.124 -6.167 1.00 0.00 H new ATOM 0 HE21 GLN A 151 11.713 0.531 -8.326 1.00 0.00 H new ATOM 0 HE22 GLN A 151 13.412 0.897 -8.646 1.00 0.00 H new ATOM 149 N ARG A 152 12.548 3.822 -2.881 1.00 0.00 N ATOM 150 CA ARG A 152 13.303 5.103 -2.786 1.00 0.00 C ATOM 151 C ARG A 152 14.796 4.840 -3.007 1.00 0.00 C ATOM 152 O ARG A 152 15.248 3.716 -2.901 1.00 0.00 O ATOM 153 CB ARG A 152 13.087 5.705 -1.395 1.00 0.00 C ATOM 154 CG ARG A 152 11.680 6.300 -1.314 1.00 0.00 C ATOM 155 CD ARG A 152 11.774 7.813 -1.110 1.00 0.00 C ATOM 156 NE ARG A 152 10.461 8.332 -0.634 1.00 0.00 N ATOM 157 CZ ARG A 152 9.718 9.054 -1.428 1.00 0.00 C ATOM 158 NH1 ARG A 152 9.704 8.809 -2.709 1.00 0.00 N ATOM 159 NH2 ARG A 152 8.989 10.020 -0.940 1.00 0.00 N ATOM 0 H ARG A 152 12.824 3.104 -2.211 1.00 0.00 H new ATOM 0 HA ARG A 152 12.948 5.797 -3.548 1.00 0.00 H new ATOM 0 HB2 ARG A 152 13.215 4.938 -0.631 1.00 0.00 H new ATOM 0 HB3 ARG A 152 13.832 6.476 -1.200 1.00 0.00 H new ATOM 0 HG2 ARG A 152 11.128 6.080 -2.228 1.00 0.00 H new ATOM 0 HG3 ARG A 152 11.129 5.845 -0.491 1.00 0.00 H new ATOM 0 HD2 ARG A 152 12.554 8.045 -0.385 1.00 0.00 H new ATOM 0 HD3 ARG A 152 12.053 8.300 -2.044 1.00 0.00 H new ATOM 0 HE ARG A 152 10.143 8.123 0.312 1.00 0.00 H new ATOM 0 HH11 ARG A 152 10.274 8.053 -3.090 1.00 0.00 H new ATOM 0 HH12 ARG A 152 9.124 9.373 -3.330 1.00 0.00 H new ATOM 0 HH21 ARG A 152 9.000 10.211 0.062 1.00 0.00 H new ATOM 0 HH22 ARG A 152 8.408 10.584 -1.560 1.00 0.00 H new ATOM 173 N PRO A 153 15.519 5.890 -3.306 1.00 0.00 N ATOM 174 CA PRO A 153 16.971 5.812 -3.548 1.00 0.00 C ATOM 175 C PRO A 153 17.724 5.681 -2.221 1.00 0.00 C ATOM 176 O PRO A 153 18.350 6.613 -1.756 1.00 0.00 O ATOM 177 CB PRO A 153 17.293 7.142 -4.236 1.00 0.00 C ATOM 178 CG PRO A 153 16.158 8.120 -3.848 1.00 0.00 C ATOM 179 CD PRO A 153 14.956 7.253 -3.431 1.00 0.00 C ATOM 0 HA PRO A 153 17.263 4.950 -4.148 1.00 0.00 H new ATOM 0 HB2 PRO A 153 18.262 7.523 -3.912 1.00 0.00 H new ATOM 0 HB3 PRO A 153 17.345 7.017 -5.318 1.00 0.00 H new ATOM 0 HG2 PRO A 153 16.469 8.770 -3.030 1.00 0.00 H new ATOM 0 HG3 PRO A 153 15.898 8.765 -4.687 1.00 0.00 H new ATOM 0 HD2 PRO A 153 14.526 7.594 -2.489 1.00 0.00 H new ATOM 0 HD3 PRO A 153 14.161 7.289 -4.176 1.00 0.00 H new ATOM 187 N TRP A 154 17.662 4.531 -1.607 1.00 0.00 N ATOM 188 CA TRP A 154 18.368 4.342 -0.307 1.00 0.00 C ATOM 189 C TRP A 154 18.131 2.918 0.204 1.00 0.00 C ATOM 190 O TRP A 154 18.972 2.337 0.861 1.00 0.00 O ATOM 191 CB TRP A 154 17.825 5.339 0.714 1.00 0.00 C ATOM 192 CG TRP A 154 18.952 6.125 1.297 1.00 0.00 C ATOM 193 CD1 TRP A 154 20.174 5.629 1.600 1.00 0.00 C ATOM 194 CD2 TRP A 154 18.983 7.537 1.652 1.00 0.00 C ATOM 195 NE1 TRP A 154 20.953 6.647 2.120 1.00 0.00 N ATOM 196 CE2 TRP A 154 20.263 7.843 2.172 1.00 0.00 C ATOM 197 CE3 TRP A 154 18.031 8.570 1.574 1.00 0.00 C ATOM 198 CZ2 TRP A 154 20.586 9.133 2.600 1.00 0.00 C ATOM 199 CZ3 TRP A 154 18.352 9.868 2.004 1.00 0.00 C ATOM 200 CH2 TRP A 154 19.627 10.148 2.515 1.00 0.00 C ATOM 0 H TRP A 154 17.154 3.715 -1.948 1.00 0.00 H new ATOM 0 HA TRP A 154 19.436 4.505 -0.449 1.00 0.00 H new ATOM 0 HB2 TRP A 154 17.110 6.009 0.237 1.00 0.00 H new ATOM 0 HB3 TRP A 154 17.290 4.811 1.504 1.00 0.00 H new ATOM 0 HD1 TRP A 154 20.489 4.606 1.459 1.00 0.00 H new ATOM 0 HE1 TRP A 154 21.918 6.529 2.427 1.00 0.00 H new ATOM 0 HE3 TRP A 154 17.047 8.363 1.181 1.00 0.00 H new ATOM 0 HZ2 TRP A 154 21.569 9.345 2.994 1.00 0.00 H new ATOM 0 HZ3 TRP A 154 17.614 10.654 1.941 1.00 0.00 H new ATOM 0 HH2 TRP A 154 19.869 11.148 2.843 1.00 0.00 H new ATOM 211 N GLY A 155 16.991 2.356 -0.089 1.00 0.00 N ATOM 212 CA GLY A 155 16.698 0.973 0.384 1.00 0.00 C ATOM 213 C GLY A 155 15.390 0.966 1.179 1.00 0.00 C ATOM 214 O GLY A 155 15.079 0.018 1.872 1.00 0.00 O ATOM 0 H GLY A 155 16.249 2.794 -0.635 1.00 0.00 H new ATOM 0 HA2 GLY A 155 16.621 0.296 -0.467 1.00 0.00 H new ATOM 0 HA3 GLY A 155 17.516 0.611 1.007 1.00 0.00 H new ATOM 218 N LYS A 156 14.619 2.016 1.087 1.00 0.00 N ATOM 219 CA LYS A 156 13.334 2.066 1.838 1.00 0.00 C ATOM 220 C LYS A 156 12.163 1.933 0.862 1.00 0.00 C ATOM 221 O LYS A 156 12.347 1.758 -0.326 1.00 0.00 O ATOM 222 CB LYS A 156 13.227 3.402 2.578 1.00 0.00 C ATOM 223 CG LYS A 156 14.480 3.618 3.428 1.00 0.00 C ATOM 224 CD LYS A 156 14.242 3.073 4.837 1.00 0.00 C ATOM 225 CE LYS A 156 15.556 2.535 5.407 1.00 0.00 C ATOM 226 NZ LYS A 156 15.301 1.897 6.728 1.00 0.00 N ATOM 0 H LYS A 156 14.825 2.841 0.524 1.00 0.00 H new ATOM 0 HA LYS A 156 13.304 1.246 2.556 1.00 0.00 H new ATOM 0 HB2 LYS A 156 13.115 4.217 1.863 1.00 0.00 H new ATOM 0 HB3 LYS A 156 12.340 3.409 3.211 1.00 0.00 H new ATOM 0 HG2 LYS A 156 15.333 3.115 2.972 1.00 0.00 H new ATOM 0 HG3 LYS A 156 14.723 4.680 3.474 1.00 0.00 H new ATOM 0 HD2 LYS A 156 13.850 3.860 5.481 1.00 0.00 H new ATOM 0 HD3 LYS A 156 13.494 2.281 4.810 1.00 0.00 H new ATOM 0 HE2 LYS A 156 15.993 1.811 4.720 1.00 0.00 H new ATOM 0 HE3 LYS A 156 16.276 3.346 5.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 156 15.964 2.279 7.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 156 14.325 2.097 7.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 156 15.435 0.869 6.649 1.00 0.00 H new ATOM 240 N PHE A 157 10.960 2.020 1.357 1.00 0.00 N ATOM 241 CA PHE A 157 9.769 1.907 0.469 1.00 0.00 C ATOM 242 C PHE A 157 8.588 2.605 1.142 1.00 0.00 C ATOM 243 O PHE A 157 8.580 2.806 2.339 1.00 0.00 O ATOM 244 CB PHE A 157 9.428 0.429 0.245 1.00 0.00 C ATOM 245 CG PHE A 157 10.514 -0.226 -0.575 1.00 0.00 C ATOM 246 CD1 PHE A 157 11.672 -0.703 0.052 1.00 0.00 C ATOM 247 CD2 PHE A 157 10.364 -0.359 -1.964 1.00 0.00 C ATOM 248 CE1 PHE A 157 12.680 -1.312 -0.705 1.00 0.00 C ATOM 249 CE2 PHE A 157 11.372 -0.968 -2.721 1.00 0.00 C ATOM 250 CZ PHE A 157 12.531 -1.444 -2.092 1.00 0.00 C ATOM 0 H PHE A 157 10.749 2.165 2.344 1.00 0.00 H new ATOM 0 HA PHE A 157 9.981 2.373 -0.493 1.00 0.00 H new ATOM 0 HB2 PHE A 157 9.326 -0.080 1.204 1.00 0.00 H new ATOM 0 HB3 PHE A 157 8.470 0.341 -0.266 1.00 0.00 H new ATOM 0 HD1 PHE A 157 11.788 -0.601 1.121 1.00 0.00 H new ATOM 0 HD2 PHE A 157 9.471 0.008 -2.449 1.00 0.00 H new ATOM 0 HE1 PHE A 157 13.572 -1.680 -0.220 1.00 0.00 H new ATOM 0 HE2 PHE A 157 11.257 -1.071 -3.790 1.00 0.00 H new ATOM 0 HZ PHE A 157 13.309 -1.912 -2.677 1.00 0.00 H new ATOM 260 N ALA A 158 7.592 2.985 0.392 1.00 0.00 N ATOM 261 CA ALA A 158 6.429 3.673 1.017 1.00 0.00 C ATOM 262 C ALA A 158 5.131 2.976 0.613 1.00 0.00 C ATOM 263 O ALA A 158 4.715 3.024 -0.527 1.00 0.00 O ATOM 264 CB ALA A 158 6.386 5.129 0.556 1.00 0.00 C ATOM 0 H ALA A 158 7.532 2.851 -0.617 1.00 0.00 H new ATOM 0 HA ALA A 158 6.535 3.635 2.101 1.00 0.00 H new ATOM 0 HB1 ALA A 158 5.534 5.631 1.015 1.00 0.00 H new ATOM 0 HB2 ALA A 158 7.306 5.632 0.853 1.00 0.00 H new ATOM 0 HB3 ALA A 158 6.287 5.164 -0.529 1.00 0.00 H new ATOM 270 N ALA A 159 4.481 2.341 1.546 1.00 0.00 N ATOM 271 CA ALA A 159 3.202 1.654 1.227 1.00 0.00 C ATOM 272 C ALA A 159 2.089 2.699 1.174 1.00 0.00 C ATOM 273 O ALA A 159 1.885 3.444 2.110 1.00 0.00 O ATOM 274 CB ALA A 159 2.893 0.629 2.319 1.00 0.00 C ATOM 0 H ALA A 159 4.782 2.268 2.518 1.00 0.00 H new ATOM 0 HA ALA A 159 3.277 1.143 0.267 1.00 0.00 H new ATOM 0 HB1 ALA A 159 1.955 0.123 2.088 1.00 0.00 H new ATOM 0 HB2 ALA A 159 3.698 -0.104 2.368 1.00 0.00 H new ATOM 0 HB3 ALA A 159 2.805 1.136 3.280 1.00 0.00 H new ATOM 280 N GLU A 160 1.376 2.775 0.084 1.00 0.00 N ATOM 281 CA GLU A 160 0.290 3.790 -0.016 1.00 0.00 C ATOM 282 C GLU A 160 -0.845 3.258 -0.889 1.00 0.00 C ATOM 283 O GLU A 160 -0.622 2.615 -1.897 1.00 0.00 O ATOM 284 CB GLU A 160 0.853 5.070 -0.640 1.00 0.00 C ATOM 285 CG GLU A 160 -0.063 6.246 -0.304 1.00 0.00 C ATOM 286 CD GLU A 160 -0.412 7.004 -1.586 1.00 0.00 C ATOM 287 OE1 GLU A 160 -0.981 6.392 -2.476 1.00 0.00 O ATOM 288 OE2 GLU A 160 -0.103 8.181 -1.656 1.00 0.00 O ATOM 0 H GLU A 160 1.497 2.182 -0.737 1.00 0.00 H new ATOM 0 HA GLU A 160 -0.097 4.002 0.981 1.00 0.00 H new ATOM 0 HB2 GLU A 160 1.858 5.259 -0.264 1.00 0.00 H new ATOM 0 HB3 GLU A 160 0.934 4.955 -1.721 1.00 0.00 H new ATOM 0 HG2 GLU A 160 -0.972 5.886 0.177 1.00 0.00 H new ATOM 0 HG3 GLU A 160 0.429 6.914 0.403 1.00 0.00 H new ATOM 295 N ILE A 161 -2.062 3.528 -0.511 1.00 0.00 N ATOM 296 CA ILE A 161 -3.220 3.049 -1.313 1.00 0.00 C ATOM 297 C ILE A 161 -4.150 4.229 -1.605 1.00 0.00 C ATOM 298 O ILE A 161 -4.412 5.049 -0.747 1.00 0.00 O ATOM 299 CB ILE A 161 -3.979 1.979 -0.525 1.00 0.00 C ATOM 300 CG1 ILE A 161 -5.266 1.615 -1.266 1.00 0.00 C ATOM 301 CG2 ILE A 161 -4.326 2.515 0.865 1.00 0.00 C ATOM 302 CD1 ILE A 161 -5.997 0.506 -0.504 1.00 0.00 C ATOM 0 H ILE A 161 -2.305 4.062 0.323 1.00 0.00 H new ATOM 0 HA ILE A 161 -2.866 2.621 -2.251 1.00 0.00 H new ATOM 0 HB ILE A 161 -3.353 1.092 -0.426 1.00 0.00 H new ATOM 0 HG12 ILE A 161 -5.907 2.492 -1.356 1.00 0.00 H new ATOM 0 HG13 ILE A 161 -5.034 1.284 -2.278 1.00 0.00 H new ATOM 0 HG21 ILE A 161 -4.867 1.752 1.425 1.00 0.00 H new ATOM 0 HG22 ILE A 161 -3.409 2.773 1.395 1.00 0.00 H new ATOM 0 HG23 ILE A 161 -4.950 3.403 0.767 1.00 0.00 H new ATOM 0 HD11 ILE A 161 -6.915 0.246 -1.032 1.00 0.00 H new ATOM 0 HD12 ILE A 161 -5.356 -0.373 -0.437 1.00 0.00 H new ATOM 0 HD13 ILE A 161 -6.242 0.854 0.499 1.00 0.00 H new ATOM 314 N ARG A 162 -4.644 4.326 -2.808 1.00 0.00 N ATOM 315 CA ARG A 162 -5.551 5.459 -3.144 1.00 0.00 C ATOM 316 C ARG A 162 -6.961 5.154 -2.635 1.00 0.00 C ATOM 317 O ARG A 162 -7.417 4.029 -2.675 1.00 0.00 O ATOM 318 CB ARG A 162 -5.572 5.671 -4.666 1.00 0.00 C ATOM 319 CG ARG A 162 -6.547 4.690 -5.328 1.00 0.00 C ATOM 320 CD ARG A 162 -6.082 3.253 -5.080 1.00 0.00 C ATOM 321 NE ARG A 162 -6.983 2.310 -5.801 1.00 0.00 N ATOM 322 CZ ARG A 162 -7.184 2.451 -7.083 1.00 0.00 C ATOM 323 NH1 ARG A 162 -6.324 1.965 -7.936 1.00 0.00 N ATOM 324 NH2 ARG A 162 -8.244 3.078 -7.513 1.00 0.00 N ATOM 0 H ARG A 162 -4.460 3.673 -3.570 1.00 0.00 H new ATOM 0 HA ARG A 162 -5.189 6.369 -2.666 1.00 0.00 H new ATOM 0 HB2 ARG A 162 -5.867 6.696 -4.893 1.00 0.00 H new ATOM 0 HB3 ARG A 162 -4.571 5.530 -5.073 1.00 0.00 H new ATOM 0 HG2 ARG A 162 -7.550 4.832 -4.926 1.00 0.00 H new ATOM 0 HG3 ARG A 162 -6.602 4.885 -6.399 1.00 0.00 H new ATOM 0 HD2 ARG A 162 -5.055 3.127 -5.424 1.00 0.00 H new ATOM 0 HD3 ARG A 162 -6.090 3.036 -4.012 1.00 0.00 H new ATOM 0 HE ARG A 162 -7.443 1.554 -5.293 1.00 0.00 H new ATOM 0 HH11 ARG A 162 -5.495 1.475 -7.601 1.00 0.00 H new ATOM 0 HH12 ARG A 162 -6.481 2.075 -8.938 1.00 0.00 H new ATOM 0 HH21 ARG A 162 -8.917 3.459 -6.847 1.00 0.00 H new ATOM 0 HH22 ARG A 162 -8.400 3.188 -8.515 1.00 0.00 H new ATOM 338 N ASP A 163 -7.655 6.148 -2.158 1.00 0.00 N ATOM 339 CA ASP A 163 -9.035 5.918 -1.649 1.00 0.00 C ATOM 340 C ASP A 163 -9.945 7.050 -2.130 1.00 0.00 C ATOM 341 O ASP A 163 -9.984 8.105 -1.528 1.00 0.00 O ATOM 342 CB ASP A 163 -9.019 5.896 -0.120 1.00 0.00 C ATOM 343 CG ASP A 163 -10.310 5.256 0.393 1.00 0.00 C ATOM 344 OD1 ASP A 163 -11.266 5.211 -0.363 1.00 0.00 O ATOM 345 OD2 ASP A 163 -10.320 4.821 1.533 1.00 0.00 O ATOM 0 H ASP A 163 -7.326 7.112 -2.098 1.00 0.00 H new ATOM 0 HA ASP A 163 -9.407 4.963 -2.022 1.00 0.00 H new ATOM 0 HB2 ASP A 163 -8.155 5.335 0.237 1.00 0.00 H new ATOM 0 HB3 ASP A 163 -8.924 6.910 0.268 1.00 0.00 H new ATOM 350 N PRO A 164 -10.649 6.801 -3.203 1.00 0.00 N ATOM 351 CA PRO A 164 -11.568 7.790 -3.788 1.00 0.00 C ATOM 352 C PRO A 164 -12.857 7.870 -2.966 1.00 0.00 C ATOM 353 O PRO A 164 -13.547 8.870 -2.972 1.00 0.00 O ATOM 354 CB PRO A 164 -11.838 7.242 -5.193 1.00 0.00 C ATOM 355 CG PRO A 164 -11.533 5.727 -5.137 1.00 0.00 C ATOM 356 CD PRO A 164 -10.599 5.513 -3.930 1.00 0.00 C ATOM 0 HA PRO A 164 -11.161 8.801 -3.806 1.00 0.00 H new ATOM 0 HB2 PRO A 164 -12.873 7.419 -5.487 1.00 0.00 H new ATOM 0 HB3 PRO A 164 -11.208 7.738 -5.931 1.00 0.00 H new ATOM 0 HG2 PRO A 164 -12.451 5.150 -5.024 1.00 0.00 H new ATOM 0 HG3 PRO A 164 -11.058 5.393 -6.059 1.00 0.00 H new ATOM 0 HD2 PRO A 164 -10.939 4.688 -3.304 1.00 0.00 H new ATOM 0 HD3 PRO A 164 -9.584 5.274 -4.248 1.00 0.00 H new ATOM 364 N ALA A 165 -13.186 6.825 -2.257 1.00 0.00 N ATOM 365 CA ALA A 165 -14.426 6.844 -1.435 1.00 0.00 C ATOM 366 C ALA A 165 -14.265 7.847 -0.291 1.00 0.00 C ATOM 367 O ALA A 165 -15.215 8.189 0.385 1.00 0.00 O ATOM 368 CB ALA A 165 -14.679 5.449 -0.861 1.00 0.00 C ATOM 0 H ALA A 165 -12.649 5.959 -2.212 1.00 0.00 H new ATOM 0 HA ALA A 165 -15.271 7.138 -2.058 1.00 0.00 H new ATOM 0 HB1 ALA A 165 -15.587 5.463 -0.259 1.00 0.00 H new ATOM 0 HB2 ALA A 165 -14.795 4.735 -1.677 1.00 0.00 H new ATOM 0 HB3 ALA A 165 -13.835 5.153 -0.238 1.00 0.00 H new ATOM 374 N LYS A 166 -13.069 8.320 -0.067 1.00 0.00 N ATOM 375 CA LYS A 166 -12.851 9.298 1.035 1.00 0.00 C ATOM 376 C LYS A 166 -12.642 10.695 0.444 1.00 0.00 C ATOM 377 O LYS A 166 -11.805 11.452 0.897 1.00 0.00 O ATOM 378 CB LYS A 166 -11.612 8.896 1.838 1.00 0.00 C ATOM 379 CG LYS A 166 -11.838 7.523 2.473 1.00 0.00 C ATOM 380 CD LYS A 166 -11.155 7.473 3.842 1.00 0.00 C ATOM 381 CE LYS A 166 -12.215 7.365 4.940 1.00 0.00 C ATOM 382 NZ LYS A 166 -11.806 8.195 6.108 1.00 0.00 N ATOM 0 H LYS A 166 -12.235 8.071 -0.599 1.00 0.00 H new ATOM 0 HA LYS A 166 -13.722 9.306 1.690 1.00 0.00 H new ATOM 0 HB2 LYS A 166 -10.738 8.868 1.188 1.00 0.00 H new ATOM 0 HB3 LYS A 166 -11.411 9.637 2.611 1.00 0.00 H new ATOM 0 HG2 LYS A 166 -12.906 7.332 2.581 1.00 0.00 H new ATOM 0 HG3 LYS A 166 -11.438 6.742 1.827 1.00 0.00 H new ATOM 0 HD2 LYS A 166 -10.478 6.620 3.891 1.00 0.00 H new ATOM 0 HD3 LYS A 166 -10.552 8.368 3.992 1.00 0.00 H new ATOM 0 HE2 LYS A 166 -13.181 7.700 4.562 1.00 0.00 H new ATOM 0 HE3 LYS A 166 -12.335 6.325 5.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 166 -12.526 8.122 6.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 166 -10.893 7.855 6.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 166 -11.713 9.188 5.813 1.00 0.00 H new ATOM 396 N ASN A 167 -13.394 11.043 -0.563 1.00 0.00 N ATOM 397 CA ASN A 167 -13.237 12.390 -1.181 1.00 0.00 C ATOM 398 C ASN A 167 -11.850 12.500 -1.816 1.00 0.00 C ATOM 399 O ASN A 167 -11.156 13.483 -1.649 1.00 0.00 O ATOM 400 CB ASN A 167 -13.393 13.467 -0.104 1.00 0.00 C ATOM 401 CG ASN A 167 -14.061 14.701 -0.712 1.00 0.00 C ATOM 402 OD1 ASN A 167 -15.046 15.189 -0.194 1.00 0.00 O ATOM 403 ND2 ASN A 167 -13.564 15.231 -1.795 1.00 0.00 N ATOM 0 H ASN A 167 -14.111 10.453 -0.985 1.00 0.00 H new ATOM 0 HA ASN A 167 -14.000 12.530 -1.947 1.00 0.00 H new ATOM 0 HB2 ASN A 167 -13.992 13.086 0.723 1.00 0.00 H new ATOM 0 HB3 ASN A 167 -12.418 13.732 0.305 1.00 0.00 H new ATOM 0 HD21 ASN A 167 -14.002 16.055 -2.207 1.00 0.00 H new ATOM 0 HD22 ASN A 167 -12.737 14.822 -2.230 1.00 0.00 H new ATOM 410 N GLY A 168 -11.442 11.498 -2.547 1.00 0.00 N ATOM 411 CA GLY A 168 -10.101 11.542 -3.196 1.00 0.00 C ATOM 412 C GLY A 168 -9.039 11.907 -2.157 1.00 0.00 C ATOM 413 O GLY A 168 -8.661 13.054 -2.020 1.00 0.00 O ATOM 0 H GLY A 168 -11.981 10.650 -2.723 1.00 0.00 H new ATOM 0 HA2 GLY A 168 -9.870 10.575 -3.642 1.00 0.00 H new ATOM 0 HA3 GLY A 168 -10.101 12.274 -4.004 1.00 0.00 H new ATOM 417 N ALA A 169 -8.555 10.941 -1.426 1.00 0.00 N ATOM 418 CA ALA A 169 -7.517 11.237 -0.398 1.00 0.00 C ATOM 419 C ALA A 169 -6.475 10.116 -0.385 1.00 0.00 C ATOM 420 O ALA A 169 -6.791 8.964 -0.155 1.00 0.00 O ATOM 421 CB ALA A 169 -8.179 11.336 0.978 1.00 0.00 C ATOM 0 H ALA A 169 -8.832 9.962 -1.495 1.00 0.00 H new ATOM 0 HA ALA A 169 -7.028 12.182 -0.636 1.00 0.00 H new ATOM 0 HB1 ALA A 169 -7.422 11.552 1.731 1.00 0.00 H new ATOM 0 HB2 ALA A 169 -8.920 12.135 0.969 1.00 0.00 H new ATOM 0 HB3 ALA A 169 -8.667 10.391 1.216 1.00 0.00 H new ATOM 427 N ARG A 170 -5.234 10.440 -0.629 1.00 0.00 N ATOM 428 CA ARG A 170 -4.175 9.394 -0.628 1.00 0.00 C ATOM 429 C ARG A 170 -4.050 8.791 0.774 1.00 0.00 C ATOM 430 O ARG A 170 -4.424 9.401 1.757 1.00 0.00 O ATOM 431 CB ARG A 170 -2.843 10.027 -1.035 1.00 0.00 C ATOM 432 CG ARG A 170 -2.500 11.158 -0.064 1.00 0.00 C ATOM 433 CD ARG A 170 -1.711 12.243 -0.800 1.00 0.00 C ATOM 434 NE ARG A 170 -1.898 13.549 -0.105 1.00 0.00 N ATOM 435 CZ ARG A 170 -0.866 14.308 0.147 1.00 0.00 C ATOM 436 NH1 ARG A 170 0.164 13.818 0.781 1.00 0.00 N ATOM 437 NH2 ARG A 170 -0.866 15.556 -0.231 1.00 0.00 N ATOM 0 H ARG A 170 -4.909 11.386 -0.829 1.00 0.00 H new ATOM 0 HA ARG A 170 -4.437 8.607 -1.335 1.00 0.00 H new ATOM 0 HB2 ARG A 170 -2.054 9.275 -1.028 1.00 0.00 H new ATOM 0 HB3 ARG A 170 -2.907 10.413 -2.052 1.00 0.00 H new ATOM 0 HG2 ARG A 170 -3.413 11.580 0.356 1.00 0.00 H new ATOM 0 HG3 ARG A 170 -1.915 10.770 0.770 1.00 0.00 H new ATOM 0 HD2 ARG A 170 -0.653 11.982 -0.829 1.00 0.00 H new ATOM 0 HD3 ARG A 170 -2.050 12.317 -1.833 1.00 0.00 H new ATOM 0 HE ARG A 170 -2.832 13.849 0.174 1.00 0.00 H new ATOM 0 HH11 ARG A 170 0.162 12.843 1.079 1.00 0.00 H new ATOM 0 HH12 ARG A 170 0.971 14.410 0.978 1.00 0.00 H new ATOM 0 HH21 ARG A 170 -1.672 15.940 -0.724 1.00 0.00 H new ATOM 0 HH22 ARG A 170 -0.060 16.149 -0.034 1.00 0.00 H new ATOM 451 N VAL A 171 -3.531 7.597 0.874 1.00 0.00 N ATOM 452 CA VAL A 171 -3.386 6.955 2.212 1.00 0.00 C ATOM 453 C VAL A 171 -1.949 6.457 2.389 1.00 0.00 C ATOM 454 O VAL A 171 -1.630 5.329 2.069 1.00 0.00 O ATOM 455 CB VAL A 171 -4.356 5.774 2.314 1.00 0.00 C ATOM 456 CG1 VAL A 171 -3.975 4.890 3.505 1.00 0.00 C ATOM 457 CG2 VAL A 171 -5.779 6.302 2.510 1.00 0.00 C ATOM 0 H VAL A 171 -3.201 7.038 0.087 1.00 0.00 H new ATOM 0 HA VAL A 171 -3.613 7.681 2.992 1.00 0.00 H new ATOM 0 HB VAL A 171 -4.304 5.186 1.398 1.00 0.00 H new ATOM 0 HG11 VAL A 171 -4.668 4.052 3.572 1.00 0.00 H new ATOM 0 HG12 VAL A 171 -2.962 4.513 3.368 1.00 0.00 H new ATOM 0 HG13 VAL A 171 -4.023 5.476 4.423 1.00 0.00 H new ATOM 0 HG21 VAL A 171 -6.471 5.463 2.583 1.00 0.00 H new ATOM 0 HG22 VAL A 171 -5.825 6.892 3.426 1.00 0.00 H new ATOM 0 HG23 VAL A 171 -6.055 6.928 1.661 1.00 0.00 H new ATOM 467 N TRP A 172 -1.080 7.285 2.903 1.00 0.00 N ATOM 468 CA TRP A 172 0.331 6.849 3.103 1.00 0.00 C ATOM 469 C TRP A 172 0.390 5.853 4.264 1.00 0.00 C ATOM 470 O TRP A 172 0.501 6.230 5.414 1.00 0.00 O ATOM 471 CB TRP A 172 1.208 8.064 3.421 1.00 0.00 C ATOM 472 CG TRP A 172 2.637 7.633 3.547 1.00 0.00 C ATOM 473 CD1 TRP A 172 3.133 6.872 4.550 1.00 0.00 C ATOM 474 CD2 TRP A 172 3.760 7.924 2.664 1.00 0.00 C ATOM 475 NE1 TRP A 172 4.485 6.675 4.337 1.00 0.00 N ATOM 476 CE2 TRP A 172 4.917 7.302 3.191 1.00 0.00 C ATOM 477 CE3 TRP A 172 3.887 8.657 1.468 1.00 0.00 C ATOM 478 CZ2 TRP A 172 6.155 7.403 2.559 1.00 0.00 C ATOM 479 CZ3 TRP A 172 5.134 8.762 0.827 1.00 0.00 C ATOM 480 CH2 TRP A 172 6.266 8.136 1.372 1.00 0.00 C ATOM 0 H TRP A 172 -1.286 8.241 3.192 1.00 0.00 H new ATOM 0 HA TRP A 172 0.698 6.373 2.194 1.00 0.00 H new ATOM 0 HB2 TRP A 172 1.111 8.811 2.633 1.00 0.00 H new ATOM 0 HB3 TRP A 172 0.876 8.532 4.347 1.00 0.00 H new ATOM 0 HD1 TRP A 172 2.565 6.482 5.382 1.00 0.00 H new ATOM 0 HE1 TRP A 172 5.088 6.131 4.954 1.00 0.00 H new ATOM 0 HE3 TRP A 172 3.021 9.141 1.041 1.00 0.00 H new ATOM 0 HZ2 TRP A 172 7.023 6.919 2.982 1.00 0.00 H new ATOM 0 HZ3 TRP A 172 5.221 9.327 -0.089 1.00 0.00 H new ATOM 0 HH2 TRP A 172 7.222 8.220 0.876 1.00 0.00 H new ATOM 491 N LEU A 173 0.314 4.584 3.971 1.00 0.00 N ATOM 492 CA LEU A 173 0.366 3.562 5.053 1.00 0.00 C ATOM 493 C LEU A 173 1.595 3.815 5.927 1.00 0.00 C ATOM 494 O LEU A 173 1.543 3.713 7.137 1.00 0.00 O ATOM 495 CB LEU A 173 0.466 2.167 4.433 1.00 0.00 C ATOM 496 CG LEU A 173 -0.869 1.435 4.584 1.00 0.00 C ATOM 497 CD1 LEU A 173 -1.412 1.071 3.201 1.00 0.00 C ATOM 498 CD2 LEU A 173 -0.655 0.157 5.400 1.00 0.00 C ATOM 0 H LEU A 173 0.218 4.210 3.027 1.00 0.00 H new ATOM 0 HA LEU A 173 -0.537 3.627 5.660 1.00 0.00 H new ATOM 0 HB2 LEU A 173 0.731 2.246 3.379 1.00 0.00 H new ATOM 0 HB3 LEU A 173 1.259 1.599 4.919 1.00 0.00 H new ATOM 0 HG LEU A 173 -1.583 2.081 5.095 1.00 0.00 H new ATOM 0 HD11 LEU A 173 -2.363 0.550 3.309 1.00 0.00 H new ATOM 0 HD12 LEU A 173 -1.561 1.980 2.618 1.00 0.00 H new ATOM 0 HD13 LEU A 173 -0.700 0.424 2.689 1.00 0.00 H new ATOM 0 HD21 LEU A 173 -1.604 -0.368 5.510 1.00 0.00 H new ATOM 0 HD22 LEU A 173 0.059 -0.487 4.886 1.00 0.00 H new ATOM 0 HD23 LEU A 173 -0.267 0.415 6.385 1.00 0.00 H new ATOM 510 N GLY A 174 2.702 4.138 5.318 1.00 0.00 N ATOM 511 CA GLY A 174 3.943 4.392 6.102 1.00 0.00 C ATOM 512 C GLY A 174 5.142 3.853 5.322 1.00 0.00 C ATOM 513 O GLY A 174 4.994 3.060 4.415 1.00 0.00 O ATOM 0 H GLY A 174 2.801 4.237 4.308 1.00 0.00 H new ATOM 0 HA2 GLY A 174 4.061 5.460 6.284 1.00 0.00 H new ATOM 0 HA3 GLY A 174 3.879 3.908 7.076 1.00 0.00 H new ATOM 517 N THR A 175 6.329 4.272 5.662 1.00 0.00 N ATOM 518 CA THR A 175 7.526 3.774 4.928 1.00 0.00 C ATOM 519 C THR A 175 7.845 2.349 5.384 1.00 0.00 C ATOM 520 O THR A 175 7.166 1.786 6.219 1.00 0.00 O ATOM 521 CB THR A 175 8.727 4.683 5.212 1.00 0.00 C ATOM 522 OG1 THR A 175 9.424 4.202 6.353 1.00 0.00 O ATOM 523 CG2 THR A 175 8.246 6.112 5.469 1.00 0.00 C ATOM 0 H THR A 175 6.522 4.935 6.413 1.00 0.00 H new ATOM 0 HA THR A 175 7.319 3.779 3.858 1.00 0.00 H new ATOM 0 HB THR A 175 9.394 4.680 4.350 1.00 0.00 H new ATOM 0 HG1 THR A 175 10.193 4.781 6.535 1.00 0.00 H new ATOM 0 HG21 THR A 175 9.104 6.754 5.670 1.00 0.00 H new ATOM 0 HG22 THR A 175 7.715 6.481 4.591 1.00 0.00 H new ATOM 0 HG23 THR A 175 7.576 6.121 6.329 1.00 0.00 H new ATOM 531 N PHE A 176 8.876 1.760 4.840 1.00 0.00 N ATOM 532 CA PHE A 176 9.241 0.372 5.240 1.00 0.00 C ATOM 533 C PHE A 176 10.720 0.125 4.923 1.00 0.00 C ATOM 534 O PHE A 176 11.410 0.994 4.427 1.00 0.00 O ATOM 535 CB PHE A 176 8.372 -0.624 4.470 1.00 0.00 C ATOM 536 CG PHE A 176 6.964 -0.580 5.016 1.00 0.00 C ATOM 537 CD1 PHE A 176 6.610 -1.388 6.103 1.00 0.00 C ATOM 538 CD2 PHE A 176 6.013 0.275 4.440 1.00 0.00 C ATOM 539 CE1 PHE A 176 5.308 -1.343 6.617 1.00 0.00 C ATOM 540 CE2 PHE A 176 4.710 0.318 4.953 1.00 0.00 C ATOM 541 CZ PHE A 176 4.357 -0.490 6.041 1.00 0.00 C ATOM 0 H PHE A 176 9.481 2.181 4.135 1.00 0.00 H new ATOM 0 HA PHE A 176 9.075 0.242 6.309 1.00 0.00 H new ATOM 0 HB2 PHE A 176 8.371 -0.379 3.408 1.00 0.00 H new ATOM 0 HB3 PHE A 176 8.780 -1.630 4.564 1.00 0.00 H new ATOM 0 HD1 PHE A 176 7.342 -2.047 6.546 1.00 0.00 H new ATOM 0 HD2 PHE A 176 6.285 0.900 3.602 1.00 0.00 H new ATOM 0 HE1 PHE A 176 5.037 -1.965 7.457 1.00 0.00 H new ATOM 0 HE2 PHE A 176 3.977 0.975 4.509 1.00 0.00 H new ATOM 0 HZ PHE A 176 3.352 -0.456 6.436 1.00 0.00 H new ATOM 551 N GLU A 177 11.215 -1.048 5.211 1.00 0.00 N ATOM 552 CA GLU A 177 12.652 -1.337 4.932 1.00 0.00 C ATOM 553 C GLU A 177 12.794 -2.014 3.566 1.00 0.00 C ATOM 554 O GLU A 177 13.826 -1.933 2.931 1.00 0.00 O ATOM 555 CB GLU A 177 13.207 -2.261 6.018 1.00 0.00 C ATOM 556 CG GLU A 177 14.106 -1.457 6.960 1.00 0.00 C ATOM 557 CD GLU A 177 14.118 -2.116 8.340 1.00 0.00 C ATOM 558 OE1 GLU A 177 13.771 -3.283 8.420 1.00 0.00 O ATOM 559 OE2 GLU A 177 14.476 -1.444 9.293 1.00 0.00 O ATOM 0 H GLU A 177 10.689 -1.817 5.626 1.00 0.00 H new ATOM 0 HA GLU A 177 13.210 -0.401 4.927 1.00 0.00 H new ATOM 0 HB2 GLU A 177 12.389 -2.715 6.578 1.00 0.00 H new ATOM 0 HB3 GLU A 177 13.773 -3.075 5.564 1.00 0.00 H new ATOM 0 HG2 GLU A 177 15.119 -1.408 6.560 1.00 0.00 H new ATOM 0 HG3 GLU A 177 13.744 -0.432 7.038 1.00 0.00 H new ATOM 566 N THR A 178 11.771 -2.680 3.108 1.00 0.00 N ATOM 567 CA THR A 178 11.860 -3.357 1.783 1.00 0.00 C ATOM 568 C THR A 178 10.517 -3.249 1.062 1.00 0.00 C ATOM 569 O THR A 178 9.508 -2.922 1.655 1.00 0.00 O ATOM 570 CB THR A 178 12.214 -4.835 1.977 1.00 0.00 C ATOM 571 OG1 THR A 178 11.018 -5.594 2.083 1.00 0.00 O ATOM 572 CG2 THR A 178 13.045 -5.009 3.248 1.00 0.00 C ATOM 0 H THR A 178 10.879 -2.785 3.592 1.00 0.00 H new ATOM 0 HA THR A 178 12.635 -2.875 1.187 1.00 0.00 H new ATOM 0 HB THR A 178 12.794 -5.182 1.122 1.00 0.00 H new ATOM 0 HG1 THR A 178 11.234 -6.508 2.364 1.00 0.00 H new ATOM 0 HG21 THR A 178 13.293 -6.062 3.379 1.00 0.00 H new ATOM 0 HG22 THR A 178 13.963 -4.428 3.165 1.00 0.00 H new ATOM 0 HG23 THR A 178 12.472 -4.661 4.108 1.00 0.00 H new ATOM 580 N ALA A 179 10.498 -3.525 -0.212 1.00 0.00 N ATOM 581 CA ALA A 179 9.221 -3.441 -0.972 1.00 0.00 C ATOM 582 C ALA A 179 8.273 -4.540 -0.496 1.00 0.00 C ATOM 583 O ALA A 179 7.075 -4.448 -0.652 1.00 0.00 O ATOM 584 CB ALA A 179 9.504 -3.633 -2.461 1.00 0.00 C ATOM 0 H ALA A 179 11.312 -3.805 -0.759 1.00 0.00 H new ATOM 0 HA ALA A 179 8.764 -2.465 -0.807 1.00 0.00 H new ATOM 0 HB1 ALA A 179 8.570 -3.572 -3.020 1.00 0.00 H new ATOM 0 HB2 ALA A 179 10.184 -2.854 -2.805 1.00 0.00 H new ATOM 0 HB3 ALA A 179 9.960 -4.610 -2.622 1.00 0.00 H new ATOM 590 N GLU A 180 8.801 -5.584 0.079 1.00 0.00 N ATOM 591 CA GLU A 180 7.928 -6.694 0.563 1.00 0.00 C ATOM 592 C GLU A 180 7.162 -6.240 1.805 1.00 0.00 C ATOM 593 O GLU A 180 6.003 -6.556 1.982 1.00 0.00 O ATOM 594 CB GLU A 180 8.792 -7.906 0.915 1.00 0.00 C ATOM 595 CG GLU A 180 7.890 -9.083 1.293 1.00 0.00 C ATOM 596 CD GLU A 180 8.651 -10.394 1.089 1.00 0.00 C ATOM 597 OE1 GLU A 180 9.322 -10.817 2.015 1.00 0.00 O ATOM 598 OE2 GLU A 180 8.548 -10.953 0.009 1.00 0.00 O ATOM 0 H GLU A 180 9.800 -5.718 0.236 1.00 0.00 H new ATOM 0 HA GLU A 180 7.221 -6.965 -0.221 1.00 0.00 H new ATOM 0 HB2 GLU A 180 9.423 -8.175 0.068 1.00 0.00 H new ATOM 0 HB3 GLU A 180 9.458 -7.663 1.743 1.00 0.00 H new ATOM 0 HG2 GLU A 180 7.572 -8.992 2.332 1.00 0.00 H new ATOM 0 HG3 GLU A 180 6.988 -9.075 0.681 1.00 0.00 H new ATOM 605 N ASP A 181 7.803 -5.507 2.670 1.00 0.00 N ATOM 606 CA ASP A 181 7.119 -5.038 3.904 1.00 0.00 C ATOM 607 C ASP A 181 6.122 -3.931 3.551 1.00 0.00 C ATOM 608 O ASP A 181 5.034 -3.870 4.086 1.00 0.00 O ATOM 609 CB ASP A 181 8.159 -4.489 4.882 1.00 0.00 C ATOM 610 CG ASP A 181 9.468 -5.268 4.732 1.00 0.00 C ATOM 611 OD1 ASP A 181 9.402 -6.447 4.426 1.00 0.00 O ATOM 612 OD2 ASP A 181 10.515 -4.671 4.924 1.00 0.00 O ATOM 0 H ASP A 181 8.775 -5.212 2.575 1.00 0.00 H new ATOM 0 HA ASP A 181 6.587 -5.872 4.362 1.00 0.00 H new ATOM 0 HB2 ASP A 181 8.330 -3.430 4.689 1.00 0.00 H new ATOM 0 HB3 ASP A 181 7.790 -4.571 5.904 1.00 0.00 H new ATOM 617 N ALA A 182 6.485 -3.055 2.653 1.00 0.00 N ATOM 618 CA ALA A 182 5.557 -1.952 2.269 1.00 0.00 C ATOM 619 C ALA A 182 4.397 -2.519 1.448 1.00 0.00 C ATOM 620 O ALA A 182 3.284 -2.038 1.514 1.00 0.00 O ATOM 621 CB ALA A 182 6.313 -0.913 1.439 1.00 0.00 C ATOM 0 H ALA A 182 7.383 -3.055 2.169 1.00 0.00 H new ATOM 0 HA ALA A 182 5.164 -1.480 3.170 1.00 0.00 H new ATOM 0 HB1 ALA A 182 5.634 -0.107 1.159 1.00 0.00 H new ATOM 0 HB2 ALA A 182 7.136 -0.506 2.027 1.00 0.00 H new ATOM 0 HB3 ALA A 182 6.708 -1.384 0.539 1.00 0.00 H new ATOM 627 N ALA A 183 4.646 -3.542 0.680 1.00 0.00 N ATOM 628 CA ALA A 183 3.553 -4.137 -0.135 1.00 0.00 C ATOM 629 C ALA A 183 2.630 -4.937 0.785 1.00 0.00 C ATOM 630 O ALA A 183 1.426 -4.947 0.619 1.00 0.00 O ATOM 631 CB ALA A 183 4.147 -5.061 -1.201 1.00 0.00 C ATOM 0 H ALA A 183 5.557 -3.990 0.582 1.00 0.00 H new ATOM 0 HA ALA A 183 2.988 -3.346 -0.628 1.00 0.00 H new ATOM 0 HB1 ALA A 183 3.343 -5.495 -1.796 1.00 0.00 H new ATOM 0 HB2 ALA A 183 4.810 -4.489 -1.850 1.00 0.00 H new ATOM 0 HB3 ALA A 183 4.711 -5.858 -0.718 1.00 0.00 H new ATOM 637 N LEU A 184 3.185 -5.596 1.768 1.00 0.00 N ATOM 638 CA LEU A 184 2.340 -6.382 2.709 1.00 0.00 C ATOM 639 C LEU A 184 1.462 -5.417 3.501 1.00 0.00 C ATOM 640 O LEU A 184 0.283 -5.641 3.688 1.00 0.00 O ATOM 641 CB LEU A 184 3.234 -7.168 3.671 1.00 0.00 C ATOM 642 CG LEU A 184 2.372 -8.096 4.529 1.00 0.00 C ATOM 643 CD1 LEU A 184 1.662 -9.111 3.631 1.00 0.00 C ATOM 644 CD2 LEU A 184 3.261 -8.839 5.530 1.00 0.00 C ATOM 0 H LEU A 184 4.187 -5.623 1.958 1.00 0.00 H new ATOM 0 HA LEU A 184 1.717 -7.081 2.152 1.00 0.00 H new ATOM 0 HB2 LEU A 184 3.966 -7.750 3.110 1.00 0.00 H new ATOM 0 HB3 LEU A 184 3.792 -6.482 4.308 1.00 0.00 H new ATOM 0 HG LEU A 184 1.631 -7.505 5.067 1.00 0.00 H new ATOM 0 HD11 LEU A 184 1.048 -9.772 4.243 1.00 0.00 H new ATOM 0 HD12 LEU A 184 1.028 -8.585 2.917 1.00 0.00 H new ATOM 0 HD13 LEU A 184 2.403 -9.701 3.092 1.00 0.00 H new ATOM 0 HD21 LEU A 184 2.647 -9.500 6.141 1.00 0.00 H new ATOM 0 HD22 LEU A 184 4.002 -9.428 4.991 1.00 0.00 H new ATOM 0 HD23 LEU A 184 3.768 -8.118 6.172 1.00 0.00 H new ATOM 656 N ALA A 185 2.030 -4.334 3.953 1.00 0.00 N ATOM 657 CA ALA A 185 1.233 -3.339 4.719 1.00 0.00 C ATOM 658 C ALA A 185 0.157 -2.766 3.799 1.00 0.00 C ATOM 659 O ALA A 185 -0.922 -2.407 4.229 1.00 0.00 O ATOM 660 CB ALA A 185 2.153 -2.214 5.202 1.00 0.00 C ATOM 0 H ALA A 185 3.013 -4.096 3.824 1.00 0.00 H new ATOM 0 HA ALA A 185 0.768 -3.814 5.583 1.00 0.00 H new ATOM 0 HB1 ALA A 185 1.571 -1.484 5.764 1.00 0.00 H new ATOM 0 HB2 ALA A 185 2.930 -2.630 5.844 1.00 0.00 H new ATOM 0 HB3 ALA A 185 2.614 -1.727 4.343 1.00 0.00 H new ATOM 666 N TYR A 186 0.445 -2.690 2.530 1.00 0.00 N ATOM 667 CA TYR A 186 -0.552 -2.153 1.564 1.00 0.00 C ATOM 668 C TYR A 186 -1.743 -3.108 1.490 1.00 0.00 C ATOM 669 O TYR A 186 -2.876 -2.696 1.343 1.00 0.00 O ATOM 670 CB TYR A 186 0.093 -2.042 0.183 1.00 0.00 C ATOM 671 CG TYR A 186 -0.948 -1.627 -0.823 1.00 0.00 C ATOM 672 CD1 TYR A 186 -1.904 -2.552 -1.258 1.00 0.00 C ATOM 673 CD2 TYR A 186 -0.961 -0.317 -1.320 1.00 0.00 C ATOM 674 CE1 TYR A 186 -2.875 -2.168 -2.191 1.00 0.00 C ATOM 675 CE2 TYR A 186 -1.931 0.067 -2.254 1.00 0.00 C ATOM 676 CZ TYR A 186 -2.889 -0.858 -2.690 1.00 0.00 C ATOM 677 OH TYR A 186 -3.847 -0.481 -3.609 1.00 0.00 O ATOM 0 H TYR A 186 1.333 -2.978 2.119 1.00 0.00 H new ATOM 0 HA TYR A 186 -0.889 -1.169 1.891 1.00 0.00 H new ATOM 0 HB2 TYR A 186 0.904 -1.314 0.206 1.00 0.00 H new ATOM 0 HB3 TYR A 186 0.531 -2.998 -0.104 1.00 0.00 H new ATOM 0 HD1 TYR A 186 -1.893 -3.561 -0.874 1.00 0.00 H new ATOM 0 HD2 TYR A 186 -0.223 0.396 -0.983 1.00 0.00 H new ATOM 0 HE1 TYR A 186 -3.613 -2.881 -2.526 1.00 0.00 H new ATOM 0 HE2 TYR A 186 -1.941 1.076 -2.638 1.00 0.00 H new ATOM 0 HH TYR A 186 -3.716 0.460 -3.851 1.00 0.00 H new ATOM 687 N ASP A 187 -1.492 -4.384 1.584 1.00 0.00 N ATOM 688 CA ASP A 187 -2.594 -5.376 1.517 1.00 0.00 C ATOM 689 C ASP A 187 -3.589 -5.125 2.651 1.00 0.00 C ATOM 690 O ASP A 187 -4.784 -5.068 2.443 1.00 0.00 O ATOM 691 CB ASP A 187 -2.004 -6.779 1.658 1.00 0.00 C ATOM 692 CG ASP A 187 -0.965 -7.013 0.560 1.00 0.00 C ATOM 693 OD1 ASP A 187 -1.179 -6.541 -0.544 1.00 0.00 O ATOM 694 OD2 ASP A 187 0.029 -7.662 0.842 1.00 0.00 O ATOM 0 H ASP A 187 -0.561 -4.783 1.705 1.00 0.00 H new ATOM 0 HA ASP A 187 -3.113 -5.283 0.563 1.00 0.00 H new ATOM 0 HB2 ASP A 187 -1.543 -6.893 2.639 1.00 0.00 H new ATOM 0 HB3 ASP A 187 -2.795 -7.526 1.589 1.00 0.00 H new ATOM 699 N ARG A 188 -3.102 -4.981 3.850 1.00 0.00 N ATOM 700 CA ARG A 188 -4.016 -4.739 5.004 1.00 0.00 C ATOM 701 C ARG A 188 -4.885 -3.512 4.727 1.00 0.00 C ATOM 702 O ARG A 188 -6.075 -3.514 4.972 1.00 0.00 O ATOM 703 CB ARG A 188 -3.191 -4.503 6.271 1.00 0.00 C ATOM 704 CG ARG A 188 -4.039 -4.838 7.502 1.00 0.00 C ATOM 705 CD ARG A 188 -3.738 -3.835 8.617 1.00 0.00 C ATOM 706 NE ARG A 188 -5.015 -3.360 9.220 1.00 0.00 N ATOM 707 CZ ARG A 188 -4.996 -2.447 10.152 1.00 0.00 C ATOM 708 NH1 ARG A 188 -4.494 -2.723 11.325 1.00 0.00 N ATOM 709 NH2 ARG A 188 -5.477 -1.258 9.910 1.00 0.00 N ATOM 0 H ARG A 188 -2.110 -5.020 4.083 1.00 0.00 H new ATOM 0 HA ARG A 188 -4.656 -5.610 5.143 1.00 0.00 H new ATOM 0 HB2 ARG A 188 -2.294 -5.122 6.254 1.00 0.00 H new ATOM 0 HB3 ARG A 188 -2.861 -3.465 6.315 1.00 0.00 H new ATOM 0 HG2 ARG A 188 -5.098 -4.807 7.247 1.00 0.00 H new ATOM 0 HG3 ARG A 188 -3.822 -5.851 7.841 1.00 0.00 H new ATOM 0 HD2 ARG A 188 -3.115 -4.301 9.380 1.00 0.00 H new ATOM 0 HD3 ARG A 188 -3.176 -2.990 8.218 1.00 0.00 H new ATOM 0 HE ARG A 188 -5.904 -3.748 8.904 1.00 0.00 H new ATOM 0 HH11 ARG A 188 -4.117 -3.652 11.513 1.00 0.00 H new ATOM 0 HH12 ARG A 188 -4.479 -2.010 12.054 1.00 0.00 H new ATOM 0 HH21 ARG A 188 -5.868 -1.043 8.993 1.00 0.00 H new ATOM 0 HH22 ARG A 188 -5.462 -0.544 10.638 1.00 0.00 H new ATOM 723 N ALA A 189 -4.299 -2.466 4.220 1.00 0.00 N ATOM 724 CA ALA A 189 -5.088 -1.236 3.927 1.00 0.00 C ATOM 725 C ALA A 189 -5.925 -1.456 2.665 1.00 0.00 C ATOM 726 O ALA A 189 -6.880 -0.750 2.411 1.00 0.00 O ATOM 727 CB ALA A 189 -4.136 -0.059 3.708 1.00 0.00 C ATOM 0 H ALA A 189 -3.306 -2.408 3.995 1.00 0.00 H new ATOM 0 HA ALA A 189 -5.747 -1.019 4.767 1.00 0.00 H new ATOM 0 HB1 ALA A 189 -4.713 0.841 3.494 1.00 0.00 H new ATOM 0 HB2 ALA A 189 -3.539 0.098 4.606 1.00 0.00 H new ATOM 0 HB3 ALA A 189 -3.477 -0.276 2.868 1.00 0.00 H new ATOM 733 N ALA A 190 -5.574 -2.432 1.874 1.00 0.00 N ATOM 734 CA ALA A 190 -6.348 -2.698 0.629 1.00 0.00 C ATOM 735 C ALA A 190 -7.456 -3.709 0.928 1.00 0.00 C ATOM 736 O ALA A 190 -8.315 -3.961 0.108 1.00 0.00 O ATOM 737 CB ALA A 190 -5.416 -3.263 -0.443 1.00 0.00 C ATOM 0 H ALA A 190 -4.784 -3.057 2.036 1.00 0.00 H new ATOM 0 HA ALA A 190 -6.789 -1.769 0.269 1.00 0.00 H new ATOM 0 HB1 ALA A 190 -5.984 -3.457 -1.353 1.00 0.00 H new ATOM 0 HB2 ALA A 190 -4.626 -2.542 -0.655 1.00 0.00 H new ATOM 0 HB3 ALA A 190 -4.973 -4.193 -0.087 1.00 0.00 H new ATOM 743 N PHE A 191 -7.446 -4.287 2.097 1.00 0.00 N ATOM 744 CA PHE A 191 -8.504 -5.274 2.446 1.00 0.00 C ATOM 745 C PHE A 191 -9.479 -4.628 3.430 1.00 0.00 C ATOM 746 O PHE A 191 -10.648 -4.952 3.468 1.00 0.00 O ATOM 747 CB PHE A 191 -7.867 -6.509 3.087 1.00 0.00 C ATOM 748 CG PHE A 191 -8.715 -7.722 2.790 1.00 0.00 C ATOM 749 CD1 PHE A 191 -9.808 -8.030 3.610 1.00 0.00 C ATOM 750 CD2 PHE A 191 -8.409 -8.537 1.693 1.00 0.00 C ATOM 751 CE1 PHE A 191 -10.595 -9.156 3.333 1.00 0.00 C ATOM 752 CE2 PHE A 191 -9.196 -9.662 1.416 1.00 0.00 C ATOM 753 CZ PHE A 191 -10.289 -9.972 2.236 1.00 0.00 C ATOM 0 H PHE A 191 -6.751 -4.118 2.825 1.00 0.00 H new ATOM 0 HA PHE A 191 -9.036 -5.577 1.545 1.00 0.00 H new ATOM 0 HB2 PHE A 191 -6.858 -6.653 2.700 1.00 0.00 H new ATOM 0 HB3 PHE A 191 -7.778 -6.368 4.164 1.00 0.00 H new ATOM 0 HD1 PHE A 191 -10.044 -7.400 4.455 1.00 0.00 H new ATOM 0 HD2 PHE A 191 -7.567 -8.298 1.061 1.00 0.00 H new ATOM 0 HE1 PHE A 191 -11.437 -9.395 3.965 1.00 0.00 H new ATOM 0 HE2 PHE A 191 -8.960 -10.291 0.570 1.00 0.00 H new ATOM 0 HZ PHE A 191 -10.895 -10.840 2.022 1.00 0.00 H new ATOM 763 N ARG A 192 -9.002 -3.708 4.222 1.00 0.00 N ATOM 764 CA ARG A 192 -9.895 -3.027 5.199 1.00 0.00 C ATOM 765 C ARG A 192 -10.672 -1.927 4.477 1.00 0.00 C ATOM 766 O ARG A 192 -11.846 -1.720 4.711 1.00 0.00 O ATOM 767 CB ARG A 192 -9.049 -2.402 6.309 1.00 0.00 C ATOM 768 CG ARG A 192 -9.945 -2.044 7.497 1.00 0.00 C ATOM 769 CD ARG A 192 -9.079 -1.764 8.726 1.00 0.00 C ATOM 770 NE ARG A 192 -9.071 -0.300 9.006 1.00 0.00 N ATOM 771 CZ ARG A 192 -9.903 0.202 9.878 1.00 0.00 C ATOM 772 NH1 ARG A 192 -11.179 -0.054 9.783 1.00 0.00 N ATOM 773 NH2 ARG A 192 -9.459 0.959 10.845 1.00 0.00 N ATOM 0 H ARG A 192 -8.030 -3.398 4.234 1.00 0.00 H new ATOM 0 HA ARG A 192 -10.588 -3.748 5.632 1.00 0.00 H new ATOM 0 HB2 ARG A 192 -8.272 -3.098 6.624 1.00 0.00 H new ATOM 0 HB3 ARG A 192 -8.546 -1.509 5.938 1.00 0.00 H new ATOM 0 HG2 ARG A 192 -10.550 -1.169 7.259 1.00 0.00 H new ATOM 0 HG3 ARG A 192 -10.635 -2.862 7.704 1.00 0.00 H new ATOM 0 HD2 ARG A 192 -9.466 -2.308 9.588 1.00 0.00 H new ATOM 0 HD3 ARG A 192 -8.062 -2.118 8.556 1.00 0.00 H new ATOM 0 HE ARG A 192 -8.416 0.309 8.517 1.00 0.00 H new ATOM 0 HH11 ARG A 192 -11.526 -0.646 9.028 1.00 0.00 H new ATOM 0 HH12 ARG A 192 -11.830 0.338 10.464 1.00 0.00 H new ATOM 0 HH21 ARG A 192 -8.461 1.159 10.919 1.00 0.00 H new ATOM 0 HH22 ARG A 192 -10.110 1.351 11.526 1.00 0.00 H new ATOM 787 N MET A 193 -10.017 -1.222 3.598 1.00 0.00 N ATOM 788 CA MET A 193 -10.701 -0.132 2.850 1.00 0.00 C ATOM 789 C MET A 193 -11.611 -0.735 1.777 1.00 0.00 C ATOM 790 O MET A 193 -12.605 -0.150 1.394 1.00 0.00 O ATOM 791 CB MET A 193 -9.650 0.759 2.184 1.00 0.00 C ATOM 792 CG MET A 193 -9.060 1.713 3.222 1.00 0.00 C ATOM 793 SD MET A 193 -7.376 2.164 2.739 1.00 0.00 S ATOM 794 CE MET A 193 -7.744 2.610 1.025 1.00 0.00 C ATOM 0 H MET A 193 -9.033 -1.355 3.365 1.00 0.00 H new ATOM 0 HA MET A 193 -11.302 0.460 3.540 1.00 0.00 H new ATOM 0 HB2 MET A 193 -8.861 0.146 1.748 1.00 0.00 H new ATOM 0 HB3 MET A 193 -10.101 1.325 1.369 1.00 0.00 H new ATOM 0 HG2 MET A 193 -9.678 2.607 3.303 1.00 0.00 H new ATOM 0 HG3 MET A 193 -9.054 1.240 4.204 1.00 0.00 H new ATOM 0 HE1 MET A 193 -6.939 3.229 0.629 1.00 0.00 H new ATOM 0 HE2 MET A 193 -7.834 1.705 0.425 1.00 0.00 H new ATOM 0 HE3 MET A 193 -8.681 3.165 0.987 1.00 0.00 H new ATOM 804 N ARG A 194 -11.280 -1.899 1.287 1.00 0.00 N ATOM 805 CA ARG A 194 -12.128 -2.530 0.237 1.00 0.00 C ATOM 806 C ARG A 194 -13.065 -3.553 0.883 1.00 0.00 C ATOM 807 O ARG A 194 -13.725 -4.319 0.209 1.00 0.00 O ATOM 808 CB ARG A 194 -11.235 -3.225 -0.791 1.00 0.00 C ATOM 809 CG ARG A 194 -10.958 -2.272 -1.955 1.00 0.00 C ATOM 810 CD ARG A 194 -9.447 -2.155 -2.173 1.00 0.00 C ATOM 811 NE ARG A 194 -9.153 -0.914 -2.944 1.00 0.00 N ATOM 812 CZ ARG A 194 -9.686 -0.738 -4.124 1.00 0.00 C ATOM 813 NH1 ARG A 194 -10.856 -0.172 -4.231 1.00 0.00 N ATOM 814 NH2 ARG A 194 -9.048 -1.126 -5.195 1.00 0.00 N ATOM 0 H ARG A 194 -10.461 -2.439 1.568 1.00 0.00 H new ATOM 0 HA ARG A 194 -12.721 -1.763 -0.261 1.00 0.00 H new ATOM 0 HB2 ARG A 194 -10.297 -3.530 -0.326 1.00 0.00 H new ATOM 0 HB3 ARG A 194 -11.720 -4.131 -1.156 1.00 0.00 H new ATOM 0 HG2 ARG A 194 -11.439 -2.639 -2.861 1.00 0.00 H new ATOM 0 HG3 ARG A 194 -11.382 -1.290 -1.744 1.00 0.00 H new ATOM 0 HD2 ARG A 194 -8.931 -2.131 -1.213 1.00 0.00 H new ATOM 0 HD3 ARG A 194 -9.078 -3.027 -2.712 1.00 0.00 H new ATOM 0 HE ARG A 194 -8.536 -0.203 -2.551 1.00 0.00 H new ATOM 0 HH11 ARG A 194 -11.354 0.133 -3.394 1.00 0.00 H new ATOM 0 HH12 ARG A 194 -11.273 -0.034 -5.151 1.00 0.00 H new ATOM 0 HH21 ARG A 194 -8.132 -1.567 -5.111 1.00 0.00 H new ATOM 0 HH22 ARG A 194 -9.465 -0.988 -6.115 1.00 0.00 H new ATOM 828 N GLY A 195 -13.132 -3.569 2.186 1.00 0.00 N ATOM 829 CA GLY A 195 -14.031 -4.540 2.874 1.00 0.00 C ATOM 830 C GLY A 195 -13.438 -5.948 2.784 1.00 0.00 C ATOM 831 O GLY A 195 -12.585 -6.322 3.563 1.00 0.00 O ATOM 0 H GLY A 195 -12.604 -2.953 2.804 1.00 0.00 H new ATOM 0 HA2 GLY A 195 -14.158 -4.255 3.918 1.00 0.00 H new ATOM 0 HA3 GLY A 195 -15.020 -4.522 2.416 1.00 0.00 H new ATOM 835 N SER A 196 -13.887 -6.732 1.842 1.00 0.00 N ATOM 836 CA SER A 196 -13.351 -8.116 1.705 1.00 0.00 C ATOM 837 C SER A 196 -13.245 -8.478 0.221 1.00 0.00 C ATOM 838 O SER A 196 -13.811 -7.820 -0.630 1.00 0.00 O ATOM 839 CB SER A 196 -14.294 -9.097 2.403 1.00 0.00 C ATOM 840 OG SER A 196 -13.925 -9.208 3.771 1.00 0.00 O ATOM 0 H SER A 196 -14.602 -6.474 1.162 1.00 0.00 H new ATOM 0 HA SER A 196 -12.364 -8.171 2.163 1.00 0.00 H new ATOM 0 HB2 SER A 196 -15.324 -8.752 2.319 1.00 0.00 H new ATOM 0 HB3 SER A 196 -14.245 -10.073 1.920 1.00 0.00 H new ATOM 0 HG SER A 196 -13.445 -8.400 4.047 1.00 0.00 H new ATOM 846 N ARG A 197 -12.521 -9.518 -0.098 1.00 0.00 N ATOM 847 CA ARG A 197 -12.379 -9.914 -1.527 1.00 0.00 C ATOM 848 C ARG A 197 -11.772 -8.754 -2.315 1.00 0.00 C ATOM 849 O ARG A 197 -12.391 -8.199 -3.202 1.00 0.00 O ATOM 850 CB ARG A 197 -13.753 -10.263 -2.103 1.00 0.00 C ATOM 851 CG ARG A 197 -14.321 -11.470 -1.357 1.00 0.00 C ATOM 852 CD ARG A 197 -14.277 -12.702 -2.263 1.00 0.00 C ATOM 853 NE ARG A 197 -13.843 -13.888 -1.470 1.00 0.00 N ATOM 854 CZ ARG A 197 -13.775 -15.061 -2.036 1.00 0.00 C ATOM 855 NH1 ARG A 197 -14.869 -15.681 -2.388 1.00 0.00 N ATOM 856 NH2 ARG A 197 -12.614 -15.617 -2.250 1.00 0.00 N ATOM 0 H ARG A 197 -12.023 -10.108 0.569 1.00 0.00 H new ATOM 0 HA ARG A 197 -11.728 -10.785 -1.600 1.00 0.00 H new ATOM 0 HB2 ARG A 197 -14.427 -9.412 -2.008 1.00 0.00 H new ATOM 0 HB3 ARG A 197 -13.669 -10.485 -3.167 1.00 0.00 H new ATOM 0 HG2 ARG A 197 -13.745 -11.653 -0.450 1.00 0.00 H new ATOM 0 HG3 ARG A 197 -15.347 -11.270 -1.049 1.00 0.00 H new ATOM 0 HD2 ARG A 197 -15.260 -12.882 -2.698 1.00 0.00 H new ATOM 0 HD3 ARG A 197 -13.588 -12.533 -3.091 1.00 0.00 H new ATOM 0 HE ARG A 197 -13.599 -13.782 -0.485 1.00 0.00 H new ATOM 0 HH11 ARG A 197 -15.777 -15.248 -2.220 1.00 0.00 H new ATOM 0 HH12 ARG A 197 -14.815 -16.598 -2.831 1.00 0.00 H new ATOM 0 HH21 ARG A 197 -11.759 -15.134 -1.975 1.00 0.00 H new ATOM 0 HH22 ARG A 197 -12.562 -16.534 -2.693 1.00 0.00 H new ATOM 870 N ALA A 198 -10.566 -8.381 -1.993 1.00 0.00 N ATOM 871 CA ALA A 198 -9.915 -7.252 -2.716 1.00 0.00 C ATOM 872 C ALA A 198 -8.643 -7.750 -3.404 1.00 0.00 C ATOM 873 O ALA A 198 -8.208 -8.865 -3.196 1.00 0.00 O ATOM 874 CB ALA A 198 -9.553 -6.151 -1.717 1.00 0.00 C ATOM 0 H ALA A 198 -10.001 -8.809 -1.259 1.00 0.00 H new ATOM 0 HA ALA A 198 -10.602 -6.857 -3.464 1.00 0.00 H new ATOM 0 HB1 ALA A 198 -9.077 -5.324 -2.244 1.00 0.00 H new ATOM 0 HB2 ALA A 198 -10.458 -5.795 -1.225 1.00 0.00 H new ATOM 0 HB3 ALA A 198 -8.866 -6.549 -0.970 1.00 0.00 H new ATOM 880 N LEU A 199 -8.040 -6.929 -4.222 1.00 0.00 N ATOM 881 CA LEU A 199 -6.795 -7.354 -4.920 1.00 0.00 C ATOM 882 C LEU A 199 -5.591 -6.681 -4.261 1.00 0.00 C ATOM 883 O LEU A 199 -5.538 -5.474 -4.123 1.00 0.00 O ATOM 884 CB LEU A 199 -6.867 -6.946 -6.393 1.00 0.00 C ATOM 885 CG LEU A 199 -7.168 -8.178 -7.247 1.00 0.00 C ATOM 886 CD1 LEU A 199 -8.657 -8.206 -7.598 1.00 0.00 C ATOM 887 CD2 LEU A 199 -6.343 -8.118 -8.534 1.00 0.00 C ATOM 0 H LEU A 199 -8.357 -5.983 -4.436 1.00 0.00 H new ATOM 0 HA LEU A 199 -6.691 -8.437 -4.851 1.00 0.00 H new ATOM 0 HB2 LEU A 199 -7.642 -6.193 -6.536 1.00 0.00 H new ATOM 0 HB3 LEU A 199 -5.924 -6.496 -6.704 1.00 0.00 H new ATOM 0 HG LEU A 199 -6.910 -9.078 -6.689 1.00 0.00 H new ATOM 0 HD11 LEU A 199 -8.871 -9.084 -8.207 1.00 0.00 H new ATOM 0 HD12 LEU A 199 -9.246 -8.247 -6.682 1.00 0.00 H new ATOM 0 HD13 LEU A 199 -8.916 -7.306 -8.156 1.00 0.00 H new ATOM 0 HD21 LEU A 199 -6.556 -8.996 -9.144 1.00 0.00 H new ATOM 0 HD22 LEU A 199 -6.602 -7.217 -9.091 1.00 0.00 H new ATOM 0 HD23 LEU A 199 -5.282 -8.098 -8.285 1.00 0.00 H new ATOM 899 N LEU A 200 -4.624 -7.453 -3.849 1.00 0.00 N ATOM 900 CA LEU A 200 -3.422 -6.862 -3.193 1.00 0.00 C ATOM 901 C LEU A 200 -2.163 -7.385 -3.883 1.00 0.00 C ATOM 902 O LEU A 200 -2.230 -8.201 -4.781 1.00 0.00 O ATOM 903 CB LEU A 200 -3.379 -7.257 -1.707 1.00 0.00 C ATOM 904 CG LEU A 200 -4.612 -8.087 -1.334 1.00 0.00 C ATOM 905 CD1 LEU A 200 -4.351 -8.830 -0.023 1.00 0.00 C ATOM 906 CD2 LEU A 200 -5.815 -7.157 -1.162 1.00 0.00 C ATOM 0 H LEU A 200 -4.613 -8.469 -3.938 1.00 0.00 H new ATOM 0 HA LEU A 200 -3.472 -5.776 -3.274 1.00 0.00 H new ATOM 0 HB2 LEU A 200 -2.474 -7.829 -1.503 1.00 0.00 H new ATOM 0 HB3 LEU A 200 -3.336 -6.361 -1.088 1.00 0.00 H new ATOM 0 HG LEU A 200 -4.818 -8.809 -2.124 1.00 0.00 H new ATOM 0 HD11 LEU A 200 -5.228 -9.420 0.242 1.00 0.00 H new ATOM 0 HD12 LEU A 200 -3.492 -9.491 -0.144 1.00 0.00 H new ATOM 0 HD13 LEU A 200 -4.146 -8.110 0.769 1.00 0.00 H new ATOM 0 HD21 LEU A 200 -6.694 -7.744 -0.897 1.00 0.00 H new ATOM 0 HD22 LEU A 200 -5.608 -6.436 -0.371 1.00 0.00 H new ATOM 0 HD23 LEU A 200 -6.001 -6.627 -2.096 1.00 0.00 H new ATOM 918 N ASN A 201 -1.013 -6.937 -3.459 1.00 0.00 N ATOM 919 CA ASN A 201 0.248 -7.432 -4.085 1.00 0.00 C ATOM 920 C ASN A 201 0.451 -8.881 -3.654 1.00 0.00 C ATOM 921 O ASN A 201 0.985 -9.694 -4.383 1.00 0.00 O ATOM 922 CB ASN A 201 1.449 -6.594 -3.624 1.00 0.00 C ATOM 923 CG ASN A 201 0.985 -5.209 -3.163 1.00 0.00 C ATOM 924 OD1 ASN A 201 1.309 -4.795 -1.968 1.00 0.00 O flip ATOM 925 ND2 ASN A 201 0.322 -4.500 -3.895 1.00 0.00 N flip ATOM 0 H ASN A 201 -0.891 -6.254 -2.711 1.00 0.00 H new ATOM 0 HA ASN A 201 0.172 -7.354 -5.170 1.00 0.00 H new ATOM 0 HB2 ASN A 201 1.964 -7.102 -2.809 1.00 0.00 H new ATOM 0 HB3 ASN A 201 2.165 -6.492 -4.440 1.00 0.00 H new ATOM 0 HD21 ASN A 201 0.070 -4.825 -4.828 1.00 0.00 H new ATOM 0 HD22 ASN A 201 0.018 -3.580 -3.576 1.00 0.00 H new ATOM 932 N PHE A 202 0.013 -9.208 -2.470 1.00 0.00 N ATOM 933 CA PHE A 202 0.158 -10.603 -1.973 1.00 0.00 C ATOM 934 C PHE A 202 -1.229 -11.162 -1.641 1.00 0.00 C ATOM 935 O PHE A 202 -1.585 -11.283 -0.486 1.00 0.00 O ATOM 936 CB PHE A 202 1.023 -10.609 -0.709 1.00 0.00 C ATOM 937 CG PHE A 202 2.238 -9.742 -0.921 1.00 0.00 C ATOM 938 CD1 PHE A 202 2.854 -9.694 -2.177 1.00 0.00 C ATOM 939 CD2 PHE A 202 2.756 -8.995 0.144 1.00 0.00 C ATOM 940 CE1 PHE A 202 3.989 -8.896 -2.369 1.00 0.00 C ATOM 941 CE2 PHE A 202 3.890 -8.197 -0.048 1.00 0.00 C ATOM 942 CZ PHE A 202 4.508 -8.147 -1.305 1.00 0.00 C ATOM 0 H PHE A 202 -0.442 -8.564 -1.822 1.00 0.00 H new ATOM 0 HA PHE A 202 0.632 -11.218 -2.738 1.00 0.00 H new ATOM 0 HB2 PHE A 202 0.446 -10.242 0.140 1.00 0.00 H new ATOM 0 HB3 PHE A 202 1.328 -11.628 -0.470 1.00 0.00 H new ATOM 0 HD1 PHE A 202 2.454 -10.272 -2.997 1.00 0.00 H new ATOM 0 HD2 PHE A 202 2.281 -9.034 1.113 1.00 0.00 H new ATOM 0 HE1 PHE A 202 4.464 -8.858 -3.338 1.00 0.00 H new ATOM 0 HE2 PHE A 202 4.289 -7.620 0.773 1.00 0.00 H new ATOM 0 HZ PHE A 202 5.383 -7.532 -1.453 1.00 0.00 H new ATOM 952 N PRO A 203 -1.976 -11.479 -2.670 1.00 0.00 N ATOM 953 CA PRO A 203 -3.337 -12.021 -2.524 1.00 0.00 C ATOM 954 C PRO A 203 -3.282 -13.498 -2.124 1.00 0.00 C ATOM 955 O PRO A 203 -2.240 -14.018 -1.777 1.00 0.00 O ATOM 956 CB PRO A 203 -3.945 -11.853 -3.918 1.00 0.00 C ATOM 957 CG PRO A 203 -2.755 -11.759 -4.903 1.00 0.00 C ATOM 958 CD PRO A 203 -1.531 -11.330 -4.072 1.00 0.00 C ATOM 0 HA PRO A 203 -3.918 -11.519 -1.751 1.00 0.00 H new ATOM 0 HB2 PRO A 203 -4.589 -12.697 -4.166 1.00 0.00 H new ATOM 0 HB3 PRO A 203 -4.562 -10.956 -3.967 1.00 0.00 H new ATOM 0 HG2 PRO A 203 -2.577 -12.718 -5.389 1.00 0.00 H new ATOM 0 HG3 PRO A 203 -2.961 -11.036 -5.692 1.00 0.00 H new ATOM 0 HD2 PRO A 203 -0.665 -11.958 -4.284 1.00 0.00 H new ATOM 0 HD3 PRO A 203 -1.241 -10.302 -4.291 1.00 0.00 H new