USER MOD reduce.3.24.130724 H: found=0, std=0, add=324, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 325 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 132 SER OG : rot -157:sc= -4.25! USER MOD Single : A 142 HIS : no HE2:sc= -8.02! C(o=-8!,f=-10!) USER MOD Single : A 143 ASN : amide:sc= -0.106 K(o=-0.11,f=-1.1) USER MOD Single : A 147 SER OG : rot 180:sc= 0 USER MOD Single : A 150 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 152 THR OG1 : rot -50:sc= 0.953 USER MOD Single : A 159 THR OG1 : rot 33:sc= -0.854 USER MOD Single : A 165 LYS NZ :NH3+ -117:sc= -0.0557 (180deg=-1.45!) USER MOD Single : A 169 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 60 N ALA A 130 -6.632 5.098 -4.058 1.00 0.00 N ATOM 61 CA ALA A 130 -6.344 4.019 -3.119 1.00 0.00 C ATOM 62 C ALA A 130 -5.125 4.347 -2.264 1.00 0.00 C ATOM 63 O ALA A 130 -5.030 3.919 -1.113 1.00 0.00 O ATOM 64 CB ALA A 130 -6.130 2.713 -3.869 1.00 0.00 C ATOM 0 HA ALA A 130 -7.201 3.908 -2.455 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -5.916 1.916 -3.157 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -7.030 2.465 -4.432 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -5.291 2.821 -4.556 1.00 0.00 H new ATOM 70 N LEU A 131 -4.196 5.109 -2.832 1.00 0.00 N ATOM 71 CA LEU A 131 -2.983 5.493 -2.120 1.00 0.00 C ATOM 72 C LEU A 131 -3.282 6.570 -1.080 1.00 0.00 C ATOM 73 O LEU A 131 -4.352 7.178 -1.091 1.00 0.00 O ATOM 74 CB LEU A 131 -1.924 5.995 -3.106 1.00 0.00 C ATOM 75 CG LEU A 131 -0.807 4.998 -3.418 1.00 0.00 C ATOM 76 CD1 LEU A 131 -0.053 5.417 -4.671 1.00 0.00 C ATOM 77 CD2 LEU A 131 0.144 4.880 -2.237 1.00 0.00 C ATOM 0 H LEU A 131 -4.260 5.473 -3.783 1.00 0.00 H new ATOM 0 HA LEU A 131 -2.598 4.613 -1.604 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -2.418 6.268 -4.039 1.00 0.00 H new ATOM 0 HB3 LEU A 131 -1.477 6.904 -2.704 1.00 0.00 H new ATOM 0 HG LEU A 131 -1.256 4.021 -3.598 1.00 0.00 H new ATOM 0 HD11 LEU A 131 0.738 4.696 -4.878 1.00 0.00 H new ATOM 0 HD12 LEU A 131 -0.742 5.452 -5.515 1.00 0.00 H new ATOM 0 HD13 LEU A 131 0.386 6.403 -4.519 1.00 0.00 H new ATOM 0 HD21 LEU A 131 0.933 4.167 -2.475 1.00 0.00 H new ATOM 0 HD22 LEU A 131 0.586 5.854 -2.027 1.00 0.00 H new ATOM 0 HD23 LEU A 131 -0.405 4.535 -1.361 1.00 0.00 H new ATOM 89 N SER A 132 -2.328 6.798 -0.184 1.00 0.00 N ATOM 90 CA SER A 132 -2.486 7.800 0.865 1.00 0.00 C ATOM 91 C SER A 132 -1.199 8.602 1.046 1.00 0.00 C ATOM 92 O SER A 132 -0.140 8.207 0.559 1.00 0.00 O ATOM 93 CB SER A 132 -2.878 7.130 2.185 1.00 0.00 C ATOM 94 OG SER A 132 -3.247 5.777 1.984 1.00 0.00 O ATOM 0 H SER A 132 -1.437 6.303 -0.163 1.00 0.00 H new ATOM 0 HA SER A 132 -3.280 8.484 0.566 1.00 0.00 H new ATOM 0 HB2 SER A 132 -2.043 7.182 2.884 1.00 0.00 H new ATOM 0 HB3 SER A 132 -3.708 7.672 2.639 1.00 0.00 H new ATOM 0 HG SER A 132 -3.821 5.482 2.721 1.00 0.00 H new ATOM 100 N PRO A 133 -1.273 9.745 1.751 1.00 0.00 N ATOM 101 CA PRO A 133 -0.104 10.599 1.992 1.00 0.00 C ATOM 102 C PRO A 133 0.991 9.871 2.763 1.00 0.00 C ATOM 103 O PRO A 133 2.132 9.786 2.309 1.00 0.00 O ATOM 104 CB PRO A 133 -0.664 11.762 2.821 1.00 0.00 C ATOM 105 CG PRO A 133 -1.952 11.261 3.379 1.00 0.00 C ATOM 106 CD PRO A 133 -2.491 10.292 2.368 1.00 0.00 C ATOM 0 HA PRO A 133 0.364 10.917 1.060 1.00 0.00 H new ATOM 0 HB2 PRO A 133 0.025 12.046 3.616 1.00 0.00 H new ATOM 0 HB3 PRO A 133 -0.820 12.646 2.203 1.00 0.00 H new ATOM 0 HG2 PRO A 133 -1.797 10.774 4.342 1.00 0.00 H new ATOM 0 HG3 PRO A 133 -2.651 12.081 3.545 1.00 0.00 H new ATOM 0 HD2 PRO A 133 -3.091 9.512 2.837 1.00 0.00 H new ATOM 0 HD3 PRO A 133 -3.128 10.787 1.634 1.00 0.00 H new ATOM 114 N ALA A 134 0.638 9.347 3.932 1.00 0.00 N ATOM 115 CA ALA A 134 1.591 8.624 4.764 1.00 0.00 C ATOM 116 C ALA A 134 2.064 7.351 4.072 1.00 0.00 C ATOM 117 O ALA A 134 3.263 7.064 4.017 1.00 0.00 O ATOM 118 CB ALA A 134 0.970 8.294 6.113 1.00 0.00 C ATOM 0 H ALA A 134 -0.301 9.410 4.324 1.00 0.00 H new ATOM 0 HA ALA A 134 2.458 9.265 4.923 1.00 0.00 H new ATOM 0 HB1 ALA A 134 1.693 7.754 6.724 1.00 0.00 H new ATOM 0 HB2 ALA A 134 0.686 9.217 6.618 1.00 0.00 H new ATOM 0 HB3 ALA A 134 0.086 7.674 5.965 1.00 0.00 H new ATOM 124 N ILE A 135 1.117 6.586 3.539 1.00 0.00 N ATOM 125 CA ILE A 135 1.452 5.349 2.852 1.00 0.00 C ATOM 126 C ILE A 135 2.402 5.613 1.694 1.00 0.00 C ATOM 127 O ILE A 135 3.367 4.883 1.508 1.00 0.00 O ATOM 128 CB ILE A 135 0.205 4.618 2.320 1.00 0.00 C ATOM 129 CG1 ILE A 135 -0.754 4.301 3.469 1.00 0.00 C ATOM 130 CG2 ILE A 135 0.616 3.342 1.589 1.00 0.00 C ATOM 131 CD1 ILE A 135 -1.987 3.539 3.035 1.00 0.00 C ATOM 0 H ILE A 135 0.120 6.800 3.570 1.00 0.00 H new ATOM 0 HA ILE A 135 1.935 4.709 3.590 1.00 0.00 H new ATOM 0 HB ILE A 135 -0.312 5.268 1.614 1.00 0.00 H new ATOM 0 HG12 ILE A 135 -0.224 3.719 4.224 1.00 0.00 H new ATOM 0 HG13 ILE A 135 -1.061 5.233 3.943 1.00 0.00 H new ATOM 0 HG21 ILE A 135 -0.273 2.833 1.217 1.00 0.00 H new ATOM 0 HG22 ILE A 135 1.266 3.596 0.751 1.00 0.00 H new ATOM 0 HG23 ILE A 135 1.149 2.685 2.276 1.00 0.00 H new ATOM 0 HD11 ILE A 135 -2.621 3.349 3.901 1.00 0.00 H new ATOM 0 HD12 ILE A 135 -2.540 4.128 2.303 1.00 0.00 H new ATOM 0 HD13 ILE A 135 -1.690 2.590 2.588 1.00 0.00 H new ATOM 143 N ARG A 136 2.131 6.656 0.915 1.00 0.00 N ATOM 144 CA ARG A 136 2.986 6.986 -0.219 1.00 0.00 C ATOM 145 C ARG A 136 4.443 7.025 0.217 1.00 0.00 C ATOM 146 O ARG A 136 5.335 6.589 -0.511 1.00 0.00 O ATOM 147 CB ARG A 136 2.577 8.326 -0.835 1.00 0.00 C ATOM 148 CG ARG A 136 1.744 8.184 -2.100 1.00 0.00 C ATOM 149 CD ARG A 136 2.249 9.093 -3.208 1.00 0.00 C ATOM 150 NE ARG A 136 2.370 10.481 -2.767 1.00 0.00 N ATOM 151 CZ ARG A 136 3.108 11.396 -3.391 1.00 0.00 C ATOM 152 NH1 ARG A 136 3.792 11.076 -4.483 1.00 0.00 N ATOM 153 NH2 ARG A 136 3.162 12.635 -2.922 1.00 0.00 N ATOM 0 H ARG A 136 1.335 7.281 1.046 1.00 0.00 H new ATOM 0 HA ARG A 136 2.867 6.212 -0.978 1.00 0.00 H new ATOM 0 HB2 ARG A 136 2.011 8.897 -0.099 1.00 0.00 H new ATOM 0 HB3 ARG A 136 3.475 8.901 -1.063 1.00 0.00 H new ATOM 0 HG2 ARG A 136 1.769 7.148 -2.439 1.00 0.00 H new ATOM 0 HG3 ARG A 136 0.703 8.422 -1.880 1.00 0.00 H new ATOM 0 HD2 ARG A 136 3.219 8.737 -3.554 1.00 0.00 H new ATOM 0 HD3 ARG A 136 1.568 9.041 -4.058 1.00 0.00 H new ATOM 0 HE ARG A 136 1.859 10.765 -1.932 1.00 0.00 H new ATOM 0 HH11 ARG A 136 3.754 10.124 -4.848 1.00 0.00 H new ATOM 0 HH12 ARG A 136 4.356 11.782 -4.957 1.00 0.00 H new ATOM 0 HH21 ARG A 136 2.638 12.886 -2.084 1.00 0.00 H new ATOM 0 HH22 ARG A 136 3.727 13.337 -3.400 1.00 0.00 H new ATOM 167 N ARG A 137 4.673 7.515 1.428 1.00 0.00 N ATOM 168 CA ARG A 137 6.015 7.568 1.977 1.00 0.00 C ATOM 169 C ARG A 137 6.482 6.152 2.272 1.00 0.00 C ATOM 170 O ARG A 137 7.613 5.776 1.968 1.00 0.00 O ATOM 171 CB ARG A 137 6.041 8.404 3.256 1.00 0.00 C ATOM 172 CG ARG A 137 6.144 9.900 3.006 1.00 0.00 C ATOM 173 CD ARG A 137 7.556 10.414 3.251 1.00 0.00 C ATOM 174 NE ARG A 137 8.240 10.753 2.005 1.00 0.00 N ATOM 175 CZ ARG A 137 8.065 11.900 1.352 1.00 0.00 C ATOM 176 NH1 ARG A 137 7.229 12.819 1.818 1.00 0.00 N ATOM 177 NH2 ARG A 137 8.730 12.130 0.227 1.00 0.00 N ATOM 0 H ARG A 137 3.947 7.880 2.045 1.00 0.00 H new ATOM 0 HA ARG A 137 6.682 8.035 1.252 1.00 0.00 H new ATOM 0 HB2 ARG A 137 5.137 8.202 3.830 1.00 0.00 H new ATOM 0 HB3 ARG A 137 6.885 8.088 3.869 1.00 0.00 H new ATOM 0 HG2 ARG A 137 5.850 10.119 1.980 1.00 0.00 H new ATOM 0 HG3 ARG A 137 5.446 10.427 3.657 1.00 0.00 H new ATOM 0 HD2 ARG A 137 7.515 11.294 3.893 1.00 0.00 H new ATOM 0 HD3 ARG A 137 8.130 9.657 3.785 1.00 0.00 H new ATOM 0 HE ARG A 137 8.889 10.071 1.613 1.00 0.00 H new ATOM 0 HH11 ARG A 137 6.715 12.649 2.682 1.00 0.00 H new ATOM 0 HH12 ARG A 137 7.101 13.695 1.312 1.00 0.00 H new ATOM 0 HH21 ARG A 137 9.375 11.428 -0.137 1.00 0.00 H new ATOM 0 HH22 ARG A 137 8.596 13.008 -0.274 1.00 0.00 H new ATOM 191 N LEU A 138 5.583 5.368 2.861 1.00 0.00 N ATOM 192 CA LEU A 138 5.881 3.980 3.196 1.00 0.00 C ATOM 193 C LEU A 138 6.249 3.179 1.947 1.00 0.00 C ATOM 194 O LEU A 138 7.302 2.543 1.899 1.00 0.00 O ATOM 195 CB LEU A 138 4.683 3.329 3.890 1.00 0.00 C ATOM 196 CG LEU A 138 4.890 1.868 4.294 1.00 0.00 C ATOM 197 CD1 LEU A 138 5.906 1.767 5.420 1.00 0.00 C ATOM 198 CD2 LEU A 138 3.571 1.233 4.705 1.00 0.00 C ATOM 0 H LEU A 138 4.643 5.671 3.116 1.00 0.00 H new ATOM 0 HA LEU A 138 6.735 3.978 3.874 1.00 0.00 H new ATOM 0 HB2 LEU A 138 4.440 3.907 4.782 1.00 0.00 H new ATOM 0 HB3 LEU A 138 3.820 3.389 3.226 1.00 0.00 H new ATOM 0 HG LEU A 138 5.276 1.324 3.432 1.00 0.00 H new ATOM 0 HD11 LEU A 138 6.041 0.721 5.695 1.00 0.00 H new ATOM 0 HD12 LEU A 138 6.858 2.181 5.089 1.00 0.00 H new ATOM 0 HD13 LEU A 138 5.548 2.326 6.284 1.00 0.00 H new ATOM 0 HD21 LEU A 138 3.740 0.194 4.989 1.00 0.00 H new ATOM 0 HD22 LEU A 138 3.154 1.777 5.552 1.00 0.00 H new ATOM 0 HD23 LEU A 138 2.872 1.272 3.869 1.00 0.00 H new ATOM 210 N LEU A 139 5.387 3.223 0.933 1.00 0.00 N ATOM 211 CA LEU A 139 5.639 2.506 -0.310 1.00 0.00 C ATOM 212 C LEU A 139 6.926 3.005 -0.944 1.00 0.00 C ATOM 213 O LEU A 139 7.689 2.235 -1.528 1.00 0.00 O ATOM 214 CB LEU A 139 4.469 2.689 -1.280 1.00 0.00 C ATOM 215 CG LEU A 139 3.307 1.713 -1.085 1.00 0.00 C ATOM 216 CD1 LEU A 139 1.981 2.398 -1.374 1.00 0.00 C ATOM 217 CD2 LEU A 139 3.485 0.491 -1.973 1.00 0.00 C ATOM 0 H LEU A 139 4.512 3.746 0.950 1.00 0.00 H new ATOM 0 HA LEU A 139 5.741 1.444 -0.086 1.00 0.00 H new ATOM 0 HB2 LEU A 139 4.090 3.706 -1.180 1.00 0.00 H new ATOM 0 HB3 LEU A 139 4.842 2.587 -2.299 1.00 0.00 H new ATOM 0 HG LEU A 139 3.302 1.384 -0.046 1.00 0.00 H new ATOM 0 HD11 LEU A 139 1.166 1.689 -1.230 1.00 0.00 H new ATOM 0 HD12 LEU A 139 1.852 3.241 -0.696 1.00 0.00 H new ATOM 0 HD13 LEU A 139 1.973 2.756 -2.404 1.00 0.00 H new ATOM 0 HD21 LEU A 139 2.650 -0.193 -1.822 1.00 0.00 H new ATOM 0 HD22 LEU A 139 3.516 0.802 -3.017 1.00 0.00 H new ATOM 0 HD23 LEU A 139 4.417 -0.012 -1.717 1.00 0.00 H new ATOM 229 N ALA A 140 7.164 4.303 -0.809 1.00 0.00 N ATOM 230 CA ALA A 140 8.368 4.917 -1.352 1.00 0.00 C ATOM 231 C ALA A 140 9.605 4.392 -0.632 1.00 0.00 C ATOM 232 O ALA A 140 10.677 4.267 -1.224 1.00 0.00 O ATOM 233 CB ALA A 140 8.287 6.431 -1.239 1.00 0.00 C ATOM 0 H ALA A 140 6.539 4.951 -0.328 1.00 0.00 H new ATOM 0 HA ALA A 140 8.447 4.653 -2.407 1.00 0.00 H new ATOM 0 HB1 ALA A 140 9.194 6.875 -1.649 1.00 0.00 H new ATOM 0 HB2 ALA A 140 7.422 6.792 -1.796 1.00 0.00 H new ATOM 0 HB3 ALA A 140 8.187 6.713 -0.191 1.00 0.00 H new ATOM 239 N GLU A 141 9.443 4.080 0.652 1.00 0.00 N ATOM 240 CA GLU A 141 10.535 3.564 1.461 1.00 0.00 C ATOM 241 C GLU A 141 10.794 2.096 1.146 1.00 0.00 C ATOM 242 O GLU A 141 11.934 1.685 0.929 1.00 0.00 O ATOM 243 CB GLU A 141 10.219 3.726 2.949 1.00 0.00 C ATOM 244 CG GLU A 141 10.333 5.159 3.443 1.00 0.00 C ATOM 245 CD GLU A 141 9.985 5.297 4.912 1.00 0.00 C ATOM 246 OE1 GLU A 141 8.794 5.154 5.256 1.00 0.00 O ATOM 247 OE2 GLU A 141 10.905 5.548 5.719 1.00 0.00 O ATOM 0 H GLU A 141 8.560 4.178 1.153 1.00 0.00 H new ATOM 0 HA GLU A 141 11.432 4.136 1.223 1.00 0.00 H new ATOM 0 HB2 GLU A 141 9.208 3.365 3.139 1.00 0.00 H new ATOM 0 HB3 GLU A 141 10.896 3.097 3.526 1.00 0.00 H new ATOM 0 HG2 GLU A 141 11.350 5.517 3.279 1.00 0.00 H new ATOM 0 HG3 GLU A 141 9.672 5.796 2.855 1.00 0.00 H new ATOM 254 N HIS A 142 9.724 1.312 1.125 1.00 0.00 N ATOM 255 CA HIS A 142 9.822 -0.114 0.837 1.00 0.00 C ATOM 256 C HIS A 142 10.227 -0.359 -0.615 1.00 0.00 C ATOM 257 O HIS A 142 10.623 -1.466 -0.978 1.00 0.00 O ATOM 258 CB HIS A 142 8.488 -0.805 1.129 1.00 0.00 C ATOM 259 CG HIS A 142 8.192 -0.947 2.591 1.00 0.00 C ATOM 260 ND1 HIS A 142 8.523 -2.070 3.321 1.00 0.00 N ATOM 261 CD2 HIS A 142 7.589 -0.101 3.461 1.00 0.00 C ATOM 262 CE1 HIS A 142 8.135 -1.908 4.574 1.00 0.00 C ATOM 263 NE2 HIS A 142 7.567 -0.723 4.684 1.00 0.00 N ATOM 0 H HIS A 142 8.775 1.640 1.305 1.00 0.00 H new ATOM 0 HA HIS A 142 10.594 -0.534 1.482 1.00 0.00 H new ATOM 0 HB2 HIS A 142 7.685 -0.239 0.658 1.00 0.00 H new ATOM 0 HB3 HIS A 142 8.493 -1.794 0.670 1.00 0.00 H new ATOM 0 HD1 HIS A 142 8.994 -2.896 2.951 1.00 0.00 H new ATOM 0 HD2 HIS A 142 7.198 0.880 3.234 1.00 0.00 H new ATOM 0 HE1 HIS A 142 8.262 -2.624 5.372 1.00 0.00 H new ATOM 272 N ASN A 143 10.124 0.679 -1.445 1.00 0.00 N ATOM 273 CA ASN A 143 10.479 0.570 -2.856 1.00 0.00 C ATOM 274 C ASN A 143 9.502 -0.342 -3.592 1.00 0.00 C ATOM 275 O ASN A 143 9.905 -1.181 -4.397 1.00 0.00 O ATOM 276 CB ASN A 143 11.909 0.044 -3.009 1.00 0.00 C ATOM 277 CG ASN A 143 12.710 0.835 -4.025 1.00 0.00 C ATOM 278 OD1 ASN A 143 12.148 1.471 -4.916 1.00 0.00 O ATOM 279 ND2 ASN A 143 14.031 0.800 -3.893 1.00 0.00 N ATOM 0 H ASN A 143 9.798 1.603 -1.163 1.00 0.00 H new ATOM 0 HA ASN A 143 10.421 1.565 -3.298 1.00 0.00 H new ATOM 0 HB2 ASN A 143 12.413 0.083 -2.043 1.00 0.00 H new ATOM 0 HB3 ASN A 143 11.878 -1.003 -3.310 1.00 0.00 H new ATOM 0 HD21 ASN A 143 14.623 1.314 -4.546 1.00 0.00 H new ATOM 0 HD22 ASN A 143 14.454 0.259 -3.139 1.00 0.00 H new ATOM 286 N LEU A 144 8.215 -0.170 -3.309 1.00 0.00 N ATOM 287 CA LEU A 144 7.177 -0.977 -3.943 1.00 0.00 C ATOM 288 C LEU A 144 6.336 -0.133 -4.892 1.00 0.00 C ATOM 289 O LEU A 144 6.553 1.070 -5.033 1.00 0.00 O ATOM 290 CB LEU A 144 6.278 -1.620 -2.888 1.00 0.00 C ATOM 291 CG LEU A 144 6.999 -2.098 -1.629 1.00 0.00 C ATOM 292 CD1 LEU A 144 5.996 -2.510 -0.564 1.00 0.00 C ATOM 293 CD2 LEU A 144 7.938 -3.250 -1.956 1.00 0.00 C ATOM 0 H LEU A 144 7.865 0.521 -2.645 1.00 0.00 H new ATOM 0 HA LEU A 144 7.668 -1.762 -4.517 1.00 0.00 H new ATOM 0 HB2 LEU A 144 5.512 -0.901 -2.599 1.00 0.00 H new ATOM 0 HB3 LEU A 144 5.764 -2.469 -3.339 1.00 0.00 H new ATOM 0 HG LEU A 144 7.594 -1.272 -1.238 1.00 0.00 H new ATOM 0 HD11 LEU A 144 6.528 -2.848 0.326 1.00 0.00 H new ATOM 0 HD12 LEU A 144 5.366 -1.658 -0.309 1.00 0.00 H new ATOM 0 HD13 LEU A 144 5.374 -3.320 -0.944 1.00 0.00 H new ATOM 0 HD21 LEU A 144 8.443 -3.577 -1.047 1.00 0.00 H new ATOM 0 HD22 LEU A 144 7.366 -4.079 -2.372 1.00 0.00 H new ATOM 0 HD23 LEU A 144 8.679 -2.920 -2.684 1.00 0.00 H new ATOM 305 N ASP A 145 5.371 -0.776 -5.538 1.00 0.00 N ATOM 306 CA ASP A 145 4.487 -0.092 -6.475 1.00 0.00 C ATOM 307 C ASP A 145 3.026 -0.304 -6.095 1.00 0.00 C ATOM 308 O ASP A 145 2.542 -1.435 -6.059 1.00 0.00 O ATOM 309 CB ASP A 145 4.736 -0.592 -7.899 1.00 0.00 C ATOM 310 CG ASP A 145 4.611 0.512 -8.930 1.00 0.00 C ATOM 311 OD1 ASP A 145 3.525 1.122 -9.018 1.00 0.00 O ATOM 312 OD2 ASP A 145 5.600 0.768 -9.648 1.00 0.00 O ATOM 0 H ASP A 145 5.180 -1.772 -5.430 1.00 0.00 H new ATOM 0 HA ASP A 145 4.703 0.975 -6.430 1.00 0.00 H new ATOM 0 HB2 ASP A 145 5.733 -1.029 -7.958 1.00 0.00 H new ATOM 0 HB3 ASP A 145 4.025 -1.385 -8.132 1.00 0.00 H new ATOM 317 N ALA A 146 2.326 0.791 -5.813 1.00 0.00 N ATOM 318 CA ALA A 146 0.918 0.727 -5.435 1.00 0.00 C ATOM 319 C ALA A 146 0.117 -0.117 -6.421 1.00 0.00 C ATOM 320 O ALA A 146 -0.734 -0.913 -6.025 1.00 0.00 O ATOM 321 CB ALA A 146 0.335 2.129 -5.342 1.00 0.00 C ATOM 0 H ALA A 146 2.712 1.735 -5.839 1.00 0.00 H new ATOM 0 HA ALA A 146 0.853 0.250 -4.457 1.00 0.00 H new ATOM 0 HB1 ALA A 146 -0.716 2.068 -5.059 1.00 0.00 H new ATOM 0 HB2 ALA A 146 0.880 2.701 -4.591 1.00 0.00 H new ATOM 0 HB3 ALA A 146 0.422 2.624 -6.309 1.00 0.00 H new ATOM 327 N SER A 147 0.398 0.061 -7.708 1.00 0.00 N ATOM 328 CA SER A 147 -0.294 -0.686 -8.752 1.00 0.00 C ATOM 329 C SER A 147 -0.008 -2.181 -8.638 1.00 0.00 C ATOM 330 O SER A 147 -0.798 -3.009 -9.089 1.00 0.00 O ATOM 331 CB SER A 147 0.126 -0.180 -10.133 1.00 0.00 C ATOM 332 OG SER A 147 -0.896 -0.400 -11.089 1.00 0.00 O ATOM 0 H SER A 147 1.100 0.716 -8.053 1.00 0.00 H new ATOM 0 HA SER A 147 -1.365 -0.530 -8.624 1.00 0.00 H new ATOM 0 HB2 SER A 147 0.355 0.884 -10.080 1.00 0.00 H new ATOM 0 HB3 SER A 147 1.038 -0.687 -10.448 1.00 0.00 H new ATOM 0 HG SER A 147 -0.604 -0.067 -11.963 1.00 0.00 H new ATOM 338 N ALA A 148 1.128 -2.521 -8.035 1.00 0.00 N ATOM 339 CA ALA A 148 1.515 -3.917 -7.867 1.00 0.00 C ATOM 340 C ALA A 148 1.032 -4.478 -6.530 1.00 0.00 C ATOM 341 O ALA A 148 1.486 -5.535 -6.094 1.00 0.00 O ATOM 342 CB ALA A 148 3.025 -4.060 -7.983 1.00 0.00 C ATOM 0 H ALA A 148 1.795 -1.849 -7.655 1.00 0.00 H new ATOM 0 HA ALA A 148 1.038 -4.493 -8.660 1.00 0.00 H new ATOM 0 HB1 ALA A 148 3.302 -5.106 -7.856 1.00 0.00 H new ATOM 0 HB2 ALA A 148 3.349 -3.716 -8.965 1.00 0.00 H new ATOM 0 HB3 ALA A 148 3.508 -3.461 -7.211 1.00 0.00 H new ATOM 348 N ILE A 149 0.109 -3.770 -5.885 1.00 0.00 N ATOM 349 CA ILE A 149 -0.429 -4.209 -4.602 1.00 0.00 C ATOM 350 C ILE A 149 -1.944 -4.042 -4.559 1.00 0.00 C ATOM 351 O ILE A 149 -2.518 -3.295 -5.352 1.00 0.00 O ATOM 352 CB ILE A 149 0.201 -3.430 -3.430 1.00 0.00 C ATOM 353 CG1 ILE A 149 1.725 -3.409 -3.567 1.00 0.00 C ATOM 354 CG2 ILE A 149 -0.208 -4.046 -2.101 1.00 0.00 C ATOM 355 CD1 ILE A 149 2.429 -2.716 -2.420 1.00 0.00 C ATOM 0 H ILE A 149 -0.281 -2.892 -6.229 1.00 0.00 H new ATOM 0 HA ILE A 149 -0.180 -5.265 -4.497 1.00 0.00 H new ATOM 0 HB ILE A 149 -0.164 -2.403 -3.458 1.00 0.00 H new ATOM 0 HG12 ILE A 149 2.089 -4.434 -3.639 1.00 0.00 H new ATOM 0 HG13 ILE A 149 1.990 -2.910 -4.499 1.00 0.00 H new ATOM 0 HG21 ILE A 149 0.245 -3.484 -1.285 1.00 0.00 H new ATOM 0 HG22 ILE A 149 -1.293 -4.015 -2.004 1.00 0.00 H new ATOM 0 HG23 ILE A 149 0.130 -5.081 -2.060 1.00 0.00 H new ATOM 0 HD11 ILE A 149 3.506 -2.740 -2.586 1.00 0.00 H new ATOM 0 HD12 ILE A 149 2.094 -1.680 -2.360 1.00 0.00 H new ATOM 0 HD13 ILE A 149 2.194 -3.228 -1.487 1.00 0.00 H new ATOM 367 N LYS A 150 -2.589 -4.745 -3.633 1.00 0.00 N ATOM 368 CA LYS A 150 -4.038 -4.677 -3.494 1.00 0.00 C ATOM 369 C LYS A 150 -4.434 -3.769 -2.333 1.00 0.00 C ATOM 370 O LYS A 150 -3.641 -3.525 -1.424 1.00 0.00 O ATOM 371 CB LYS A 150 -4.618 -6.076 -3.282 1.00 0.00 C ATOM 372 CG LYS A 150 -4.588 -6.942 -4.530 1.00 0.00 C ATOM 373 CD LYS A 150 -3.321 -7.780 -4.598 1.00 0.00 C ATOM 374 CE LYS A 150 -2.284 -7.152 -5.519 1.00 0.00 C ATOM 375 NZ LYS A 150 -1.917 -8.060 -6.641 1.00 0.00 N ATOM 0 H LYS A 150 -2.130 -5.368 -2.968 1.00 0.00 H new ATOM 0 HA LYS A 150 -4.445 -4.258 -4.414 1.00 0.00 H new ATOM 0 HB2 LYS A 150 -4.060 -6.575 -2.490 1.00 0.00 H new ATOM 0 HB3 LYS A 150 -5.648 -5.985 -2.938 1.00 0.00 H new ATOM 0 HG2 LYS A 150 -5.459 -7.597 -4.540 1.00 0.00 H new ATOM 0 HG3 LYS A 150 -4.654 -6.309 -5.415 1.00 0.00 H new ATOM 0 HD2 LYS A 150 -2.902 -7.889 -3.598 1.00 0.00 H new ATOM 0 HD3 LYS A 150 -3.565 -8.781 -4.953 1.00 0.00 H new ATOM 0 HE2 LYS A 150 -2.674 -6.217 -5.921 1.00 0.00 H new ATOM 0 HE3 LYS A 150 -1.391 -6.904 -4.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 -1.209 -7.596 -7.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 -1.521 -8.942 -6.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 -2.764 -8.276 -7.204 1.00 0.00 H new ATOM 389 N GLY A 151 -5.667 -3.276 -2.371 1.00 0.00 N ATOM 390 CA GLY A 151 -6.151 -2.402 -1.319 1.00 0.00 C ATOM 391 C GLY A 151 -7.359 -2.973 -0.603 1.00 0.00 C ATOM 392 O GLY A 151 -8.373 -3.279 -1.230 1.00 0.00 O ATOM 0 H GLY A 151 -6.341 -3.466 -3.113 1.00 0.00 H new ATOM 0 HA2 GLY A 151 -5.352 -2.230 -0.597 1.00 0.00 H new ATOM 0 HA3 GLY A 151 -6.410 -1.433 -1.746 1.00 0.00 H new ATOM 396 N THR A 152 -7.253 -3.115 0.714 1.00 0.00 N ATOM 397 CA THR A 152 -8.348 -3.652 1.514 1.00 0.00 C ATOM 398 C THR A 152 -9.062 -2.540 2.277 1.00 0.00 C ATOM 399 O THR A 152 -9.639 -2.773 3.338 1.00 0.00 O ATOM 400 CB THR A 152 -7.825 -4.704 2.494 1.00 0.00 C ATOM 401 OG1 THR A 152 -8.894 -5.303 3.205 1.00 0.00 O ATOM 402 CG2 THR A 152 -6.855 -4.144 3.511 1.00 0.00 C ATOM 0 H THR A 152 -6.421 -2.866 1.249 1.00 0.00 H new ATOM 0 HA THR A 152 -9.062 -4.120 0.837 1.00 0.00 H new ATOM 0 HB THR A 152 -7.301 -5.436 1.879 1.00 0.00 H new ATOM 0 HG1 THR A 152 -9.471 -4.604 3.578 1.00 0.00 H new ATOM 0 HG21 THR A 152 -6.523 -4.942 4.175 1.00 0.00 H new ATOM 0 HG22 THR A 152 -5.994 -3.718 2.996 1.00 0.00 H new ATOM 0 HG23 THR A 152 -7.349 -3.368 4.096 1.00 0.00 H new ATOM 410 N GLY A 153 -9.018 -1.330 1.727 1.00 0.00 N ATOM 411 CA GLY A 153 -9.664 -0.200 2.366 1.00 0.00 C ATOM 412 C GLY A 153 -11.151 -0.142 2.078 1.00 0.00 C ATOM 413 O GLY A 153 -11.736 -1.116 1.602 1.00 0.00 O ATOM 0 H GLY A 153 -8.546 -1.113 0.849 1.00 0.00 H new ATOM 0 HA2 GLY A 153 -9.508 -0.258 3.443 1.00 0.00 H new ATOM 0 HA3 GLY A 153 -9.195 0.723 2.025 1.00 0.00 H new ATOM 417 N VAL A 154 -11.762 1.002 2.363 1.00 0.00 N ATOM 418 CA VAL A 154 -13.189 1.184 2.129 1.00 0.00 C ATOM 419 C VAL A 154 -13.493 1.238 0.635 1.00 0.00 C ATOM 420 O VAL A 154 -13.729 2.309 0.076 1.00 0.00 O ATOM 421 CB VAL A 154 -13.709 2.472 2.797 1.00 0.00 C ATOM 422 CG1 VAL A 154 -15.222 2.568 2.670 1.00 0.00 C ATOM 423 CG2 VAL A 154 -13.286 2.524 4.258 1.00 0.00 C ATOM 0 H VAL A 154 -11.291 1.817 2.756 1.00 0.00 H new ATOM 0 HA VAL A 154 -13.697 0.327 2.571 1.00 0.00 H new ATOM 0 HB VAL A 154 -13.270 3.327 2.284 1.00 0.00 H new ATOM 0 HG11 VAL A 154 -15.570 3.484 3.148 1.00 0.00 H new ATOM 0 HG12 VAL A 154 -15.499 2.581 1.616 1.00 0.00 H new ATOM 0 HG13 VAL A 154 -15.683 1.708 3.155 1.00 0.00 H new ATOM 0 HG21 VAL A 154 -13.662 3.440 4.713 1.00 0.00 H new ATOM 0 HG22 VAL A 154 -13.694 1.662 4.786 1.00 0.00 H new ATOM 0 HG23 VAL A 154 -12.198 2.507 4.323 1.00 0.00 H new ATOM 433 N GLY A 155 -13.481 0.074 -0.007 1.00 0.00 N ATOM 434 CA GLY A 155 -13.753 0.009 -1.431 1.00 0.00 C ATOM 435 C GLY A 155 -12.585 -0.551 -2.219 1.00 0.00 C ATOM 436 O GLY A 155 -12.770 -1.139 -3.284 1.00 0.00 O ATOM 0 H GLY A 155 -13.288 -0.825 0.434 1.00 0.00 H new ATOM 0 HA2 GLY A 155 -14.633 -0.611 -1.602 1.00 0.00 H new ATOM 0 HA3 GLY A 155 -13.990 1.007 -1.799 1.00 0.00 H new ATOM 440 N GLY A 156 -11.377 -0.370 -1.692 1.00 0.00 N ATOM 441 CA GLY A 156 -10.193 -0.869 -2.366 1.00 0.00 C ATOM 442 C GLY A 156 -9.027 0.098 -2.292 1.00 0.00 C ATOM 443 O GLY A 156 -8.439 0.449 -3.314 1.00 0.00 O ATOM 0 H GLY A 156 -11.198 0.113 -0.811 1.00 0.00 H new ATOM 0 HA2 GLY A 156 -9.900 -1.820 -1.921 1.00 0.00 H new ATOM 0 HA3 GLY A 156 -10.431 -1.066 -3.411 1.00 0.00 H new ATOM 447 N ARG A 157 -8.694 0.532 -1.080 1.00 0.00 N ATOM 448 CA ARG A 157 -7.591 1.465 -0.881 1.00 0.00 C ATOM 449 C ARG A 157 -6.394 0.767 -0.233 1.00 0.00 C ATOM 450 O ARG A 157 -6.560 -0.098 0.628 1.00 0.00 O ATOM 451 CB ARG A 157 -8.055 2.660 -0.034 1.00 0.00 C ATOM 452 CG ARG A 157 -7.621 2.618 1.425 1.00 0.00 C ATOM 453 CD ARG A 157 -8.634 3.313 2.317 1.00 0.00 C ATOM 454 NE ARG A 157 -7.997 4.013 3.430 1.00 0.00 N ATOM 455 CZ ARG A 157 -8.659 4.753 4.316 1.00 0.00 C ATOM 456 NH1 ARG A 157 -9.976 4.891 4.225 1.00 0.00 N ATOM 457 NH2 ARG A 157 -8.003 5.357 5.298 1.00 0.00 N ATOM 0 H ARG A 157 -9.171 0.253 -0.223 1.00 0.00 H new ATOM 0 HA ARG A 157 -7.271 1.835 -1.855 1.00 0.00 H new ATOM 0 HB2 ARG A 157 -7.674 3.576 -0.485 1.00 0.00 H new ATOM 0 HB3 ARG A 157 -9.143 2.714 -0.073 1.00 0.00 H new ATOM 0 HG2 ARG A 157 -7.502 1.582 1.743 1.00 0.00 H new ATOM 0 HG3 ARG A 157 -6.648 3.098 1.532 1.00 0.00 H new ATOM 0 HD2 ARG A 157 -9.211 4.024 1.725 1.00 0.00 H new ATOM 0 HD3 ARG A 157 -9.338 2.578 2.707 1.00 0.00 H new ATOM 0 HE ARG A 157 -6.986 3.930 3.534 1.00 0.00 H new ATOM 0 HH11 ARG A 157 -10.486 4.428 3.473 1.00 0.00 H new ATOM 0 HH12 ARG A 157 -10.478 5.460 4.907 1.00 0.00 H new ATOM 0 HH21 ARG A 157 -6.991 5.254 5.374 1.00 0.00 H new ATOM 0 HH22 ARG A 157 -8.511 5.924 5.977 1.00 0.00 H new ATOM 471 N LEU A 158 -5.193 1.152 -0.650 1.00 0.00 N ATOM 472 CA LEU A 158 -3.972 0.567 -0.106 1.00 0.00 C ATOM 473 C LEU A 158 -3.844 0.879 1.382 1.00 0.00 C ATOM 474 O LEU A 158 -3.906 2.040 1.789 1.00 0.00 O ATOM 475 CB LEU A 158 -2.750 1.096 -0.861 1.00 0.00 C ATOM 476 CG LEU A 158 -1.630 0.076 -1.092 1.00 0.00 C ATOM 477 CD1 LEU A 158 -0.938 -0.267 0.218 1.00 0.00 C ATOM 478 CD2 LEU A 158 -2.173 -1.182 -1.755 1.00 0.00 C ATOM 0 H LEU A 158 -5.038 1.866 -1.362 1.00 0.00 H new ATOM 0 HA LEU A 158 -4.024 -0.515 -0.230 1.00 0.00 H new ATOM 0 HB2 LEU A 158 -3.078 1.476 -1.829 1.00 0.00 H new ATOM 0 HB3 LEU A 158 -2.340 1.942 -0.309 1.00 0.00 H new ATOM 0 HG LEU A 158 -0.896 0.524 -1.761 1.00 0.00 H new ATOM 0 HD11 LEU A 158 -0.146 -0.993 0.032 1.00 0.00 H new ATOM 0 HD12 LEU A 158 -0.508 0.637 0.650 1.00 0.00 H new ATOM 0 HD13 LEU A 158 -1.663 -0.691 0.912 1.00 0.00 H new ATOM 0 HD21 LEU A 158 -1.360 -1.892 -1.909 1.00 0.00 H new ATOM 0 HD22 LEU A 158 -2.931 -1.632 -1.115 1.00 0.00 H new ATOM 0 HD23 LEU A 158 -2.617 -0.924 -2.717 1.00 0.00 H new ATOM 490 N THR A 159 -3.663 -0.161 2.188 1.00 0.00 N ATOM 491 CA THR A 159 -3.526 0.006 3.630 1.00 0.00 C ATOM 492 C THR A 159 -2.221 -0.608 4.128 1.00 0.00 C ATOM 493 O THR A 159 -1.595 -1.412 3.434 1.00 0.00 O ATOM 494 CB THR A 159 -4.712 -0.633 4.356 1.00 0.00 C ATOM 495 OG1 THR A 159 -5.209 -1.741 3.628 1.00 0.00 O ATOM 496 CG2 THR A 159 -5.863 0.323 4.580 1.00 0.00 C ATOM 0 H THR A 159 -3.608 -1.128 1.868 1.00 0.00 H new ATOM 0 HA THR A 159 -3.510 1.074 3.845 1.00 0.00 H new ATOM 0 HB THR A 159 -4.323 -0.941 5.327 1.00 0.00 H new ATOM 0 HG1 THR A 159 -4.469 -2.188 3.167 1.00 0.00 H new ATOM 0 HG21 THR A 159 -6.670 -0.194 5.099 1.00 0.00 H new ATOM 0 HG22 THR A 159 -5.524 1.165 5.184 1.00 0.00 H new ATOM 0 HG23 THR A 159 -6.225 0.688 3.619 1.00 0.00 H new ATOM 504 N ARG A 160 -1.820 -0.231 5.339 1.00 0.00 N ATOM 505 CA ARG A 160 -0.591 -0.748 5.931 1.00 0.00 C ATOM 506 C ARG A 160 -0.616 -2.272 5.963 1.00 0.00 C ATOM 507 O ARG A 160 0.426 -2.923 5.888 1.00 0.00 O ATOM 508 CB ARG A 160 -0.410 -0.196 7.347 1.00 0.00 C ATOM 509 CG ARG A 160 1.018 -0.297 7.861 1.00 0.00 C ATOM 510 CD ARG A 160 1.825 0.947 7.526 1.00 0.00 C ATOM 511 NE ARG A 160 2.237 1.671 8.726 1.00 0.00 N ATOM 512 CZ ARG A 160 2.631 2.943 8.727 1.00 0.00 C ATOM 513 NH1 ARG A 160 2.663 3.635 7.594 1.00 0.00 N ATOM 514 NH2 ARG A 160 2.990 3.525 9.862 1.00 0.00 N ATOM 0 H ARG A 160 -2.327 0.429 5.928 1.00 0.00 H new ATOM 0 HA ARG A 160 0.250 -0.425 5.317 1.00 0.00 H new ATOM 0 HB2 ARG A 160 -0.720 0.849 7.363 1.00 0.00 H new ATOM 0 HB3 ARG A 160 -1.071 -0.735 8.026 1.00 0.00 H new ATOM 0 HG2 ARG A 160 1.007 -0.444 8.941 1.00 0.00 H new ATOM 0 HG3 ARG A 160 1.501 -1.172 7.426 1.00 0.00 H new ATOM 0 HD2 ARG A 160 2.708 0.663 6.953 1.00 0.00 H new ATOM 0 HD3 ARG A 160 1.231 1.605 6.892 1.00 0.00 H new ATOM 0 HE ARG A 160 2.222 1.173 9.616 1.00 0.00 H new ATOM 0 HH11 ARG A 160 2.385 3.192 6.718 1.00 0.00 H new ATOM 0 HH12 ARG A 160 2.965 4.609 7.600 1.00 0.00 H new ATOM 0 HH21 ARG A 160 2.965 2.999 10.735 1.00 0.00 H new ATOM 0 HH22 ARG A 160 3.292 4.499 9.862 1.00 0.00 H new ATOM 528 N GLU A 161 -1.816 -2.834 6.063 1.00 0.00 N ATOM 529 CA GLU A 161 -1.982 -4.279 6.087 1.00 0.00 C ATOM 530 C GLU A 161 -1.673 -4.869 4.717 1.00 0.00 C ATOM 531 O GLU A 161 -1.095 -5.951 4.609 1.00 0.00 O ATOM 532 CB GLU A 161 -3.405 -4.649 6.509 1.00 0.00 C ATOM 533 CG GLU A 161 -3.510 -6.018 7.161 1.00 0.00 C ATOM 534 CD GLU A 161 -4.439 -6.022 8.361 1.00 0.00 C ATOM 535 OE1 GLU A 161 -4.120 -5.347 9.361 1.00 0.00 O ATOM 536 OE2 GLU A 161 -5.485 -6.701 8.297 1.00 0.00 O ATOM 0 H GLU A 161 -2.688 -2.308 6.129 1.00 0.00 H new ATOM 0 HA GLU A 161 -1.284 -4.693 6.815 1.00 0.00 H new ATOM 0 HB2 GLU A 161 -3.776 -3.896 7.204 1.00 0.00 H new ATOM 0 HB3 GLU A 161 -4.053 -4.622 5.633 1.00 0.00 H new ATOM 0 HG2 GLU A 161 -3.868 -6.740 6.427 1.00 0.00 H new ATOM 0 HG3 GLU A 161 -2.518 -6.345 7.473 1.00 0.00 H new ATOM 543 N ASP A 162 -2.059 -4.144 3.671 1.00 0.00 N ATOM 544 CA ASP A 162 -1.820 -4.588 2.304 1.00 0.00 C ATOM 545 C ASP A 162 -0.327 -4.615 2.003 1.00 0.00 C ATOM 546 O ASP A 162 0.193 -5.597 1.473 1.00 0.00 O ATOM 547 CB ASP A 162 -2.536 -3.669 1.313 1.00 0.00 C ATOM 548 CG ASP A 162 -4.042 -3.833 1.356 1.00 0.00 C ATOM 549 OD1 ASP A 162 -4.516 -4.986 1.291 1.00 0.00 O ATOM 550 OD2 ASP A 162 -4.748 -2.807 1.456 1.00 0.00 O ATOM 0 H ASP A 162 -2.538 -3.247 3.745 1.00 0.00 H new ATOM 0 HA ASP A 162 -2.216 -5.598 2.199 1.00 0.00 H new ATOM 0 HB2 ASP A 162 -2.280 -2.633 1.533 1.00 0.00 H new ATOM 0 HB3 ASP A 162 -2.179 -3.879 0.305 1.00 0.00 H new ATOM 555 N VAL A 163 0.359 -3.530 2.350 1.00 0.00 N ATOM 556 CA VAL A 163 1.795 -3.434 2.122 1.00 0.00 C ATOM 557 C VAL A 163 2.546 -4.480 2.939 1.00 0.00 C ATOM 558 O VAL A 163 3.526 -5.061 2.472 1.00 0.00 O ATOM 559 CB VAL A 163 2.329 -2.032 2.476 1.00 0.00 C ATOM 560 CG1 VAL A 163 3.825 -1.939 2.207 1.00 0.00 C ATOM 561 CG2 VAL A 163 1.577 -0.964 1.697 1.00 0.00 C ATOM 0 H VAL A 163 -0.056 -2.708 2.789 1.00 0.00 H new ATOM 0 HA VAL A 163 1.964 -3.616 1.061 1.00 0.00 H new ATOM 0 HB VAL A 163 2.165 -1.863 3.540 1.00 0.00 H new ATOM 0 HG11 VAL A 163 4.180 -0.941 2.464 1.00 0.00 H new ATOM 0 HG12 VAL A 163 4.350 -2.678 2.812 1.00 0.00 H new ATOM 0 HG13 VAL A 163 4.018 -2.132 1.152 1.00 0.00 H new ATOM 0 HG21 VAL A 163 1.967 0.020 1.959 1.00 0.00 H new ATOM 0 HG22 VAL A 163 1.708 -1.133 0.628 1.00 0.00 H new ATOM 0 HG23 VAL A 163 0.517 -1.012 1.945 1.00 0.00 H new ATOM 571 N GLU A 164 2.078 -4.717 4.161 1.00 0.00 N ATOM 572 CA GLU A 164 2.707 -5.697 5.040 1.00 0.00 C ATOM 573 C GLU A 164 2.561 -7.103 4.471 1.00 0.00 C ATOM 574 O GLU A 164 3.532 -7.855 4.391 1.00 0.00 O ATOM 575 CB GLU A 164 2.088 -5.631 6.438 1.00 0.00 C ATOM 576 CG GLU A 164 2.539 -4.426 7.248 1.00 0.00 C ATOM 577 CD GLU A 164 3.471 -4.803 8.383 1.00 0.00 C ATOM 578 OE1 GLU A 164 4.529 -5.406 8.107 1.00 0.00 O ATOM 579 OE2 GLU A 164 3.144 -4.494 9.547 1.00 0.00 O ATOM 0 H GLU A 164 1.268 -4.246 4.564 1.00 0.00 H new ATOM 0 HA GLU A 164 3.769 -5.460 5.111 1.00 0.00 H new ATOM 0 HB2 GLU A 164 1.002 -5.610 6.345 1.00 0.00 H new ATOM 0 HB3 GLU A 164 2.343 -6.540 6.982 1.00 0.00 H new ATOM 0 HG2 GLU A 164 3.042 -3.718 6.590 1.00 0.00 H new ATOM 0 HG3 GLU A 164 1.664 -3.918 7.654 1.00 0.00 H new ATOM 586 N LYS A 165 1.342 -7.451 4.071 1.00 0.00 N ATOM 587 CA LYS A 165 1.072 -8.765 3.502 1.00 0.00 C ATOM 588 C LYS A 165 1.823 -8.940 2.188 1.00 0.00 C ATOM 589 O LYS A 165 2.286 -10.034 1.865 1.00 0.00 O ATOM 590 CB LYS A 165 -0.429 -8.950 3.277 1.00 0.00 C ATOM 591 CG LYS A 165 -1.192 -9.329 4.537 1.00 0.00 C ATOM 592 CD LYS A 165 -2.508 -8.572 4.644 1.00 0.00 C ATOM 593 CE LYS A 165 -3.642 -9.484 5.081 1.00 0.00 C ATOM 594 NZ LYS A 165 -4.947 -8.769 5.116 1.00 0.00 N ATOM 0 H LYS A 165 0.527 -6.841 4.131 1.00 0.00 H new ATOM 0 HA LYS A 165 1.417 -9.522 4.206 1.00 0.00 H new ATOM 0 HB2 LYS A 165 -0.844 -8.026 2.875 1.00 0.00 H new ATOM 0 HB3 LYS A 165 -0.582 -9.722 2.523 1.00 0.00 H new ATOM 0 HG2 LYS A 165 -1.387 -10.401 4.536 1.00 0.00 H new ATOM 0 HG3 LYS A 165 -0.578 -9.118 5.412 1.00 0.00 H new ATOM 0 HD2 LYS A 165 -2.402 -7.755 5.357 1.00 0.00 H new ATOM 0 HD3 LYS A 165 -2.751 -8.124 3.680 1.00 0.00 H new ATOM 0 HE2 LYS A 165 -3.710 -10.331 4.398 1.00 0.00 H new ATOM 0 HE3 LYS A 165 -3.423 -9.888 6.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 165 -5.309 -8.755 6.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 165 -4.817 -7.793 4.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 165 -5.628 -9.259 4.501 1.00 0.00 H new ATOM 608 N TRP A 166 1.940 -7.852 1.435 1.00 0.00 N ATOM 609 CA TRP A 166 2.637 -7.875 0.155 1.00 0.00 C ATOM 610 C TRP A 166 4.138 -8.049 0.359 1.00 0.00 C ATOM 611 O TRP A 166 4.783 -8.831 -0.340 1.00 0.00 O ATOM 612 CB TRP A 166 2.363 -6.585 -0.620 1.00 0.00 C ATOM 613 CG TRP A 166 2.998 -6.560 -1.977 1.00 0.00 C ATOM 614 CD1 TRP A 166 4.106 -5.857 -2.351 1.00 0.00 C ATOM 615 CD2 TRP A 166 2.559 -7.269 -3.141 1.00 0.00 C ATOM 616 NE1 TRP A 166 4.385 -6.086 -3.676 1.00 0.00 N ATOM 617 CE2 TRP A 166 3.450 -6.950 -4.184 1.00 0.00 C ATOM 618 CE3 TRP A 166 1.501 -8.144 -3.403 1.00 0.00 C ATOM 619 CZ2 TRP A 166 3.314 -7.475 -5.467 1.00 0.00 C ATOM 620 CZ3 TRP A 166 1.367 -8.664 -4.676 1.00 0.00 C ATOM 621 CH2 TRP A 166 2.269 -8.329 -5.695 1.00 0.00 C ATOM 0 H TRP A 166 1.560 -6.941 1.690 1.00 0.00 H new ATOM 0 HA TRP A 166 2.265 -8.723 -0.420 1.00 0.00 H new ATOM 0 HB2 TRP A 166 1.286 -6.457 -0.729 1.00 0.00 H new ATOM 0 HB3 TRP A 166 2.728 -5.737 -0.040 1.00 0.00 H new ATOM 0 HD1 TRP A 166 4.680 -5.214 -1.700 1.00 0.00 H new ATOM 0 HE1 TRP A 166 5.162 -5.679 -4.197 1.00 0.00 H new ATOM 0 HE3 TRP A 166 0.801 -8.409 -2.624 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 4.008 -7.218 -6.253 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 0.553 -9.341 -4.890 1.00 0.00 H new ATOM 0 HH2 TRP A 166 2.137 -8.753 -6.679 1.00 0.00 H new ATOM 632 N LEU A 167 4.687 -7.315 1.322 1.00 0.00 N ATOM 633 CA LEU A 167 6.112 -7.388 1.618 1.00 0.00 C ATOM 634 C LEU A 167 6.506 -8.794 2.055 1.00 0.00 C ATOM 635 O LEU A 167 7.569 -9.296 1.687 1.00 0.00 O ATOM 636 CB LEU A 167 6.479 -6.381 2.710 1.00 0.00 C ATOM 637 CG LEU A 167 6.556 -4.925 2.247 1.00 0.00 C ATOM 638 CD1 LEU A 167 6.313 -3.981 3.414 1.00 0.00 C ATOM 639 CD2 LEU A 167 7.904 -4.644 1.602 1.00 0.00 C ATOM 0 H LEU A 167 4.167 -6.664 1.910 1.00 0.00 H new ATOM 0 HA LEU A 167 6.659 -7.143 0.708 1.00 0.00 H new ATOM 0 HB2 LEU A 167 5.744 -6.453 3.512 1.00 0.00 H new ATOM 0 HB3 LEU A 167 7.443 -6.663 3.134 1.00 0.00 H new ATOM 0 HG LEU A 167 5.777 -4.757 1.503 1.00 0.00 H new ATOM 0 HD11 LEU A 167 6.372 -2.950 3.066 1.00 0.00 H new ATOM 0 HD12 LEU A 167 5.324 -4.167 3.833 1.00 0.00 H new ATOM 0 HD13 LEU A 167 7.069 -4.149 4.181 1.00 0.00 H new ATOM 0 HD21 LEU A 167 7.943 -3.604 1.278 1.00 0.00 H new ATOM 0 HD22 LEU A 167 8.699 -4.829 2.325 1.00 0.00 H new ATOM 0 HD23 LEU A 167 8.038 -5.298 0.740 1.00 0.00 H new ATOM 651 N ALA A 168 5.641 -9.426 2.838 1.00 0.00 N ATOM 652 CA ALA A 168 5.894 -10.776 3.325 1.00 0.00 C ATOM 653 C ALA A 168 5.592 -11.813 2.248 1.00 0.00 C ATOM 654 O ALA A 168 6.218 -12.873 2.200 1.00 0.00 O ATOM 655 CB ALA A 168 5.065 -11.051 4.571 1.00 0.00 C ATOM 0 H ALA A 168 4.757 -9.025 3.150 1.00 0.00 H new ATOM 0 HA ALA A 168 6.951 -10.852 3.580 1.00 0.00 H new ATOM 0 HB1 ALA A 168 5.264 -12.063 4.924 1.00 0.00 H new ATOM 0 HB2 ALA A 168 5.331 -10.336 5.350 1.00 0.00 H new ATOM 0 HB3 ALA A 168 4.006 -10.951 4.333 1.00 0.00 H new ATOM 661 N LYS A 169 4.632 -11.499 1.385 1.00 0.00 N ATOM 662 CA LYS A 169 4.247 -12.402 0.307 1.00 0.00 C ATOM 663 C LYS A 169 4.503 -11.763 -1.056 1.00 0.00 C ATOM 664 O LYS A 169 3.569 -11.477 -1.805 1.00 0.00 O ATOM 665 CB LYS A 169 2.772 -12.786 0.437 1.00 0.00 C ATOM 666 CG LYS A 169 2.486 -13.714 1.606 1.00 0.00 C ATOM 667 CD LYS A 169 1.196 -13.337 2.316 1.00 0.00 C ATOM 668 CE LYS A 169 0.022 -14.163 1.813 1.00 0.00 C ATOM 669 NZ LYS A 169 -1.253 -13.780 2.480 1.00 0.00 N ATOM 0 H LYS A 169 4.106 -10.625 1.411 1.00 0.00 H new ATOM 0 HA LYS A 169 4.856 -13.302 0.385 1.00 0.00 H new ATOM 0 HB2 LYS A 169 2.178 -11.879 0.550 1.00 0.00 H new ATOM 0 HB3 LYS A 169 2.448 -13.267 -0.486 1.00 0.00 H new ATOM 0 HG2 LYS A 169 2.418 -14.741 1.248 1.00 0.00 H new ATOM 0 HG3 LYS A 169 3.315 -13.677 2.312 1.00 0.00 H new ATOM 0 HD2 LYS A 169 1.313 -13.485 3.389 1.00 0.00 H new ATOM 0 HD3 LYS A 169 0.990 -12.278 2.161 1.00 0.00 H new ATOM 0 HE2 LYS A 169 -0.079 -14.032 0.736 1.00 0.00 H new ATOM 0 HE3 LYS A 169 0.220 -15.220 1.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 169 -2.028 -14.366 2.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 169 -1.166 -13.929 3.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 169 -1.456 -12.778 2.291 1.00 0.00 H new ATOM 683 N ALA A 170 5.775 -11.541 -1.369 1.00 0.00 N ATOM 684 CA ALA A 170 6.155 -10.935 -2.639 1.00 0.00 C ATOM 685 C ALA A 170 6.583 -11.996 -3.647 1.00 0.00 C ATOM 686 O ALA A 170 6.528 -11.713 -4.863 1.00 0.00 O ATOM 687 CB ALA A 170 7.272 -9.924 -2.428 1.00 0.00 C ATOM 688 OXT ALA A 170 6.969 -13.101 -3.213 1.00 0.00 O ATOM 0 H ALA A 170 6.560 -11.772 -0.760 1.00 0.00 H new ATOM 0 HA ALA A 170 5.284 -10.419 -3.042 1.00 0.00 H new ATOM 0 HB1 ALA A 170 7.546 -9.479 -3.385 1.00 0.00 H new ATOM 0 HB2 ALA A 170 6.932 -9.142 -1.749 1.00 0.00 H new ATOM 0 HB3 ALA A 170 8.140 -10.425 -1.999 1.00 0.00 H new