USER MOD reduce.3.24.130724 H: found=0, std=0, add=413, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 414 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 150 THR OG1 : rot -160:sc= -0.325 USER MOD Set 1.2: A 164 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 136 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 141 SER OG : rot -45:sc= -1.63! USER MOD Single : A 148 THR OG1 : rot 180:sc= 0 USER MOD Single : A 152 THR OG1 : rot 180:sc= 0 USER MOD Single : A 155 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 160 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 162 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 166 THR OG1 : rot 180:sc= 0 USER MOD Single : A 172 THR OG1 : rot -34:sc= 0.0853! USER MOD Single : A 179 SER OG : rot 180:sc= 0 USER MOD Single : A 180 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 183 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 76 N ARG A 132 -0.605 -6.910 1.184 1.00 1.10 N ATOM 77 CA ARG A 132 0.192 -7.119 2.388 1.00 1.12 C ATOM 78 C ARG A 132 0.794 -5.807 2.877 1.00 0.93 C ATOM 79 O ARG A 132 1.321 -5.022 2.087 1.00 0.80 O ATOM 80 CB ARG A 132 1.304 -8.134 2.118 1.00 1.30 C ATOM 81 CG ARG A 132 0.792 -9.495 1.675 1.00 1.82 C ATOM 82 CD ARG A 132 1.936 -10.451 1.377 1.00 2.27 C ATOM 83 NE ARG A 132 2.204 -11.350 2.496 1.00 3.12 N ATOM 84 CZ ARG A 132 2.938 -12.456 2.399 1.00 3.81 C ATOM 85 NH1 ARG A 132 3.479 -12.803 1.237 1.00 3.97 N ATOM 86 NH2 ARG A 132 3.133 -13.218 3.466 1.00 4.75 N ATOM 0 HA ARG A 132 -0.465 -7.508 3.166 1.00 1.12 H new ATOM 0 HB2 ARG A 132 1.968 -7.737 1.350 1.00 1.30 H new ATOM 0 HB3 ARG A 132 1.900 -8.256 3.022 1.00 1.30 H new ATOM 0 HG2 ARG A 132 0.157 -9.917 2.454 1.00 1.82 H new ATOM 0 HG3 ARG A 132 0.172 -9.380 0.786 1.00 1.82 H new ATOM 0 HD2 ARG A 132 1.696 -11.038 0.490 1.00 2.27 H new ATOM 0 HD3 ARG A 132 2.835 -9.880 1.148 1.00 2.27 H new ATOM 0 HE ARG A 132 1.805 -11.117 3.405 1.00 3.12 H new ATOM 0 HH11 ARG A 132 3.333 -12.221 0.412 1.00 3.97 H new ATOM 0 HH12 ARG A 132 4.041 -13.652 1.169 1.00 3.97 H new ATOM 0 HH21 ARG A 132 2.720 -12.957 4.362 1.00 4.75 H new ATOM 0 HH22 ARG A 132 3.696 -14.066 3.391 1.00 4.75 H new ATOM 100 N GLU A 133 0.714 -5.573 4.182 1.00 0.99 N ATOM 101 CA GLU A 133 1.253 -4.355 4.777 1.00 0.91 C ATOM 102 C GLU A 133 2.750 -4.239 4.512 1.00 0.85 C ATOM 103 O GLU A 133 3.533 -5.091 4.931 1.00 1.03 O ATOM 104 CB GLU A 133 0.985 -4.335 6.283 1.00 1.07 C ATOM 105 CG GLU A 133 1.325 -5.643 6.978 1.00 1.39 C ATOM 106 CD GLU A 133 1.394 -5.500 8.485 1.00 1.91 C ATOM 107 OE1 GLU A 133 0.380 -5.092 9.091 1.00 2.49 O ATOM 108 OE2 GLU A 133 2.462 -5.797 9.062 1.00 2.47 O ATOM 0 H GLU A 133 0.281 -6.211 4.849 1.00 0.99 H new ATOM 0 HA GLU A 133 0.753 -3.503 4.317 1.00 0.91 H new ATOM 0 HB2 GLU A 133 1.565 -3.531 6.736 1.00 1.07 H new ATOM 0 HB3 GLU A 133 -0.067 -4.105 6.454 1.00 1.07 H new ATOM 0 HG2 GLU A 133 0.576 -6.392 6.722 1.00 1.39 H new ATOM 0 HG3 GLU A 133 2.282 -6.009 6.607 1.00 1.39 H new ATOM 115 N GLY A 134 3.142 -3.180 3.812 1.00 0.74 N ATOM 116 CA GLY A 134 4.543 -2.972 3.501 1.00 0.80 C ATOM 117 C GLY A 134 4.782 -2.721 2.024 1.00 0.75 C ATOM 118 O GLY A 134 5.806 -2.155 1.642 1.00 0.85 O ATOM 0 H GLY A 134 2.513 -2.461 3.454 1.00 0.74 H new ATOM 0 HA2 GLY A 134 4.917 -2.124 4.075 1.00 0.80 H new ATOM 0 HA3 GLY A 134 5.114 -3.846 3.814 1.00 0.80 H new ATOM 122 N ASP A 135 3.835 -3.142 1.191 1.00 0.72 N ATOM 123 CA ASP A 135 3.947 -2.960 -0.253 1.00 0.74 C ATOM 124 C ASP A 135 4.166 -1.490 -0.602 1.00 0.63 C ATOM 125 O ASP A 135 3.955 -0.606 0.229 1.00 0.62 O ATOM 126 CB ASP A 135 2.691 -3.485 -0.953 1.00 0.78 C ATOM 127 CG ASP A 135 2.960 -4.743 -1.757 1.00 1.09 C ATOM 128 OD1 ASP A 135 3.505 -4.628 -2.874 1.00 1.69 O ATOM 129 OD2 ASP A 135 2.625 -5.842 -1.267 1.00 1.63 O ATOM 0 H ASP A 135 2.981 -3.612 1.491 1.00 0.72 H new ATOM 0 HA ASP A 135 4.810 -3.527 -0.600 1.00 0.74 H new ATOM 0 HB2 ASP A 135 1.922 -3.691 -0.208 1.00 0.78 H new ATOM 0 HB3 ASP A 135 2.297 -2.713 -1.613 1.00 0.78 H new ATOM 134 N GLN A 136 4.592 -1.237 -1.835 1.00 0.65 N ATOM 135 CA GLN A 136 4.840 0.125 -2.293 1.00 0.60 C ATOM 136 C GLN A 136 3.912 0.493 -3.446 1.00 0.57 C ATOM 137 O GLN A 136 3.994 -0.083 -4.532 1.00 0.69 O ATOM 138 CB GLN A 136 6.299 0.279 -2.730 1.00 0.73 C ATOM 139 CG GLN A 136 7.281 0.315 -1.570 1.00 1.29 C ATOM 140 CD GLN A 136 8.722 0.412 -2.029 1.00 1.79 C ATOM 141 OE1 GLN A 136 9.135 1.419 -2.606 1.00 2.24 O ATOM 142 NE2 GLN A 136 9.496 -0.636 -1.775 1.00 2.56 N ATOM 0 H GLN A 136 4.773 -1.957 -2.535 1.00 0.65 H new ATOM 0 HA GLN A 136 4.641 0.802 -1.462 1.00 0.60 H new ATOM 0 HB2 GLN A 136 6.561 -0.547 -3.391 1.00 0.73 H new ATOM 0 HB3 GLN A 136 6.401 1.196 -3.310 1.00 0.73 H new ATOM 0 HG2 GLN A 136 7.050 1.166 -0.929 1.00 1.29 H new ATOM 0 HG3 GLN A 136 7.156 -0.583 -0.965 1.00 1.29 H new ATOM 0 HE21 GLN A 136 9.112 -1.449 -1.294 1.00 2.56 H new ATOM 0 HE22 GLN A 136 10.475 -0.628 -2.060 1.00 2.56 H new ATOM 151 N VAL A 137 3.033 1.460 -3.204 1.00 0.48 N ATOM 152 CA VAL A 137 2.090 1.909 -4.221 1.00 0.48 C ATOM 153 C VAL A 137 2.310 3.381 -4.552 1.00 0.43 C ATOM 154 O VAL A 137 2.604 4.186 -3.671 1.00 0.39 O ATOM 155 CB VAL A 137 0.632 1.711 -3.765 1.00 0.50 C ATOM 156 CG1 VAL A 137 0.291 0.230 -3.699 1.00 0.58 C ATOM 157 CG2 VAL A 137 0.398 2.380 -2.419 1.00 0.47 C ATOM 0 H VAL A 137 2.954 1.948 -2.312 1.00 0.48 H new ATOM 0 HA VAL A 137 2.268 1.304 -5.110 1.00 0.48 H new ATOM 0 HB VAL A 137 -0.026 2.180 -4.497 1.00 0.50 H new ATOM 0 HG11 VAL A 137 -0.743 0.109 -3.375 1.00 0.58 H new ATOM 0 HG12 VAL A 137 0.417 -0.217 -4.685 1.00 0.58 H new ATOM 0 HG13 VAL A 137 0.954 -0.265 -2.989 1.00 0.58 H new ATOM 0 HG21 VAL A 137 -0.637 2.230 -2.113 1.00 0.47 H new ATOM 0 HG22 VAL A 137 1.064 1.943 -1.675 1.00 0.47 H new ATOM 0 HG23 VAL A 137 0.600 3.448 -2.503 1.00 0.47 H new ATOM 167 N ARG A 138 2.171 3.727 -5.830 1.00 0.49 N ATOM 168 CA ARG A 138 2.361 5.104 -6.271 1.00 0.50 C ATOM 169 C ARG A 138 1.124 5.948 -5.979 1.00 0.47 C ATOM 170 O ARG A 138 0.057 5.421 -5.663 1.00 0.48 O ATOM 171 CB ARG A 138 2.684 5.147 -7.767 1.00 0.62 C ATOM 172 CG ARG A 138 3.904 5.993 -8.103 1.00 0.68 C ATOM 173 CD ARG A 138 4.806 5.302 -9.115 1.00 0.93 C ATOM 174 NE ARG A 138 5.075 6.146 -10.275 1.00 1.40 N ATOM 175 CZ ARG A 138 5.789 5.755 -11.328 1.00 1.98 C ATOM 176 NH1 ARG A 138 6.308 4.534 -11.369 1.00 2.48 N ATOM 177 NH2 ARG A 138 5.985 6.586 -12.342 1.00 2.70 N ATOM 0 H ARG A 138 1.928 3.074 -6.575 1.00 0.49 H new ATOM 0 HA ARG A 138 3.201 5.521 -5.715 1.00 0.50 H new ATOM 0 HB2 ARG A 138 2.848 4.130 -8.124 1.00 0.62 H new ATOM 0 HB3 ARG A 138 1.821 5.539 -8.305 1.00 0.62 H new ATOM 0 HG2 ARG A 138 3.581 6.955 -8.500 1.00 0.68 H new ATOM 0 HG3 ARG A 138 4.468 6.197 -7.193 1.00 0.68 H new ATOM 0 HD2 ARG A 138 5.748 5.033 -8.637 1.00 0.93 H new ATOM 0 HD3 ARG A 138 4.338 4.374 -9.443 1.00 0.93 H new ATOM 0 HE ARG A 138 4.693 7.092 -10.279 1.00 1.40 H new ATOM 0 HH11 ARG A 138 6.160 3.891 -10.591 1.00 2.48 H new ATOM 0 HH12 ARG A 138 6.854 4.239 -12.178 1.00 2.48 H new ATOM 0 HH21 ARG A 138 5.589 7.525 -12.315 1.00 2.70 H new ATOM 0 HH22 ARG A 138 6.532 6.286 -13.149 1.00 2.70 H new ATOM 191 N VAL A 139 1.280 7.262 -6.083 1.00 0.49 N ATOM 192 CA VAL A 139 0.185 8.193 -5.831 1.00 0.53 C ATOM 193 C VAL A 139 -0.748 8.279 -7.036 1.00 0.67 C ATOM 194 O VAL A 139 -0.423 7.793 -8.119 1.00 0.79 O ATOM 195 CB VAL A 139 0.722 9.598 -5.498 1.00 0.62 C ATOM 196 CG1 VAL A 139 -0.378 10.480 -4.930 1.00 0.68 C ATOM 197 CG2 VAL A 139 1.891 9.507 -4.528 1.00 0.63 C ATOM 0 H VAL A 139 2.159 7.710 -6.342 1.00 0.49 H new ATOM 0 HA VAL A 139 -0.374 7.814 -4.976 1.00 0.53 H new ATOM 0 HB VAL A 139 1.076 10.054 -6.423 1.00 0.62 H new ATOM 0 HG11 VAL A 139 0.027 11.466 -4.703 1.00 0.68 H new ATOM 0 HG12 VAL A 139 -1.181 10.577 -5.661 1.00 0.68 H new ATOM 0 HG13 VAL A 139 -0.770 10.030 -4.018 1.00 0.68 H new ATOM 0 HG21 VAL A 139 2.257 10.509 -4.304 1.00 0.63 H new ATOM 0 HG22 VAL A 139 1.562 9.027 -3.606 1.00 0.63 H new ATOM 0 HG23 VAL A 139 2.692 8.920 -4.978 1.00 0.63 H new ATOM 207 N VAL A 140 -1.916 8.888 -6.839 1.00 0.72 N ATOM 208 CA VAL A 140 -2.899 9.019 -7.911 1.00 0.88 C ATOM 209 C VAL A 140 -2.547 10.154 -8.879 1.00 1.14 C ATOM 210 O VAL A 140 -2.336 9.913 -10.067 1.00 1.49 O ATOM 211 CB VAL A 140 -4.326 9.235 -7.351 1.00 0.86 C ATOM 212 CG1 VAL A 140 -4.356 10.358 -6.321 1.00 1.70 C ATOM 213 CG2 VAL A 140 -5.315 9.510 -8.476 1.00 1.13 C ATOM 0 H VAL A 140 -2.203 9.297 -5.950 1.00 0.72 H new ATOM 0 HA VAL A 140 -2.876 8.079 -8.463 1.00 0.88 H new ATOM 0 HB VAL A 140 -4.625 8.315 -6.849 1.00 0.86 H new ATOM 0 HG11 VAL A 140 -5.373 10.483 -5.948 1.00 1.70 H new ATOM 0 HG12 VAL A 140 -3.694 10.109 -5.492 1.00 1.70 H new ATOM 0 HG13 VAL A 140 -4.023 11.286 -6.785 1.00 1.70 H new ATOM 0 HG21 VAL A 140 -6.310 9.658 -8.057 1.00 1.13 H new ATOM 0 HG22 VAL A 140 -5.011 10.407 -9.016 1.00 1.13 H new ATOM 0 HG23 VAL A 140 -5.332 8.662 -9.161 1.00 1.13 H new ATOM 223 N SER A 141 -2.490 11.386 -8.379 1.00 1.19 N ATOM 224 CA SER A 141 -2.170 12.530 -9.226 1.00 1.56 C ATOM 225 C SER A 141 -1.705 13.723 -8.394 1.00 1.33 C ATOM 226 O SER A 141 -1.356 13.577 -7.223 1.00 1.48 O ATOM 227 CB SER A 141 -3.390 12.920 -10.064 1.00 2.48 C ATOM 228 OG SER A 141 -4.163 11.781 -10.400 1.00 3.04 O ATOM 0 H SER A 141 -2.660 11.616 -7.400 1.00 1.19 H new ATOM 0 HA SER A 141 -1.354 12.241 -9.888 1.00 1.56 H new ATOM 0 HB2 SER A 141 -4.004 13.630 -9.510 1.00 2.48 H new ATOM 0 HB3 SER A 141 -3.064 13.424 -10.974 1.00 2.48 H new ATOM 0 HG SER A 141 -3.570 11.059 -10.697 1.00 3.04 H new ATOM 234 N GLY A 142 -1.704 14.903 -9.010 1.00 1.49 N ATOM 235 CA GLY A 142 -1.282 16.106 -8.315 1.00 1.83 C ATOM 236 C GLY A 142 0.227 16.206 -8.199 1.00 1.45 C ATOM 237 O GLY A 142 0.950 15.433 -8.825 1.00 1.38 O ATOM 0 H GLY A 142 -1.988 15.047 -9.979 1.00 1.49 H new ATOM 0 HA2 GLY A 142 -1.662 16.980 -8.844 1.00 1.83 H new ATOM 0 HA3 GLY A 142 -1.722 16.120 -7.318 1.00 1.83 H new ATOM 241 N PRO A 143 0.736 17.153 -7.393 1.00 1.34 N ATOM 242 CA PRO A 143 2.178 17.333 -7.202 1.00 1.12 C ATOM 243 C PRO A 143 2.843 16.075 -6.652 1.00 0.97 C ATOM 244 O PRO A 143 4.057 15.906 -6.759 1.00 0.95 O ATOM 245 CB PRO A 143 2.276 18.480 -6.188 1.00 1.28 C ATOM 246 CG PRO A 143 0.929 18.559 -5.553 1.00 1.57 C ATOM 247 CD PRO A 143 -0.049 18.114 -6.601 1.00 1.63 C ATOM 0 HA PRO A 143 2.688 17.544 -8.142 1.00 1.12 H new ATOM 0 HB2 PRO A 143 3.050 18.284 -5.446 1.00 1.28 H new ATOM 0 HB3 PRO A 143 2.535 19.418 -6.679 1.00 1.28 H new ATOM 0 HG2 PRO A 143 0.875 17.919 -4.672 1.00 1.57 H new ATOM 0 HG3 PRO A 143 0.712 19.575 -5.223 1.00 1.57 H new ATOM 0 HD2 PRO A 143 -0.931 17.650 -6.160 1.00 1.63 H new ATOM 0 HD3 PRO A 143 -0.398 18.949 -7.209 1.00 1.63 H new ATOM 255 N PHE A 144 2.037 15.194 -6.066 1.00 0.96 N ATOM 256 CA PHE A 144 2.545 13.950 -5.500 1.00 0.83 C ATOM 257 C PHE A 144 2.401 12.798 -6.490 1.00 0.78 C ATOM 258 O PHE A 144 2.446 11.634 -6.100 1.00 0.74 O ATOM 259 CB PHE A 144 1.798 13.603 -4.210 1.00 0.81 C ATOM 260 CG PHE A 144 1.402 14.799 -3.392 1.00 0.89 C ATOM 261 CD1 PHE A 144 2.359 15.558 -2.738 1.00 1.60 C ATOM 262 CD2 PHE A 144 0.070 15.162 -3.275 1.00 1.40 C ATOM 263 CE1 PHE A 144 1.994 16.658 -1.985 1.00 1.67 C ATOM 264 CE2 PHE A 144 -0.301 16.259 -2.524 1.00 1.45 C ATOM 265 CZ PHE A 144 0.662 17.010 -1.878 1.00 1.07 C ATOM 0 H PHE A 144 1.029 15.319 -5.971 1.00 0.96 H new ATOM 0 HA PHE A 144 3.602 14.096 -5.279 1.00 0.83 H new ATOM 0 HB2 PHE A 144 0.902 13.036 -4.463 1.00 0.81 H new ATOM 0 HB3 PHE A 144 2.427 12.952 -3.602 1.00 0.81 H new ATOM 0 HD1 PHE A 144 3.401 15.287 -2.817 1.00 1.60 H new ATOM 0 HD2 PHE A 144 -0.688 14.579 -3.778 1.00 1.40 H new ATOM 0 HE1 PHE A 144 2.749 17.242 -1.480 1.00 1.67 H new ATOM 0 HE2 PHE A 144 -1.343 16.530 -2.441 1.00 1.45 H new ATOM 0 HZ PHE A 144 0.375 17.870 -1.291 1.00 1.07 H new ATOM 275 N ALA A 145 2.222 13.120 -7.769 1.00 0.89 N ATOM 276 CA ALA A 145 2.061 12.097 -8.798 1.00 0.92 C ATOM 277 C ALA A 145 3.403 11.537 -9.265 1.00 0.91 C ATOM 278 O ALA A 145 3.602 11.291 -10.455 1.00 1.01 O ATOM 279 CB ALA A 145 1.285 12.660 -9.979 1.00 1.09 C ATOM 0 H ALA A 145 2.185 14.078 -8.116 1.00 0.89 H new ATOM 0 HA ALA A 145 1.501 11.273 -8.356 1.00 0.92 H new ATOM 0 HB1 ALA A 145 1.171 11.888 -10.740 1.00 1.09 H new ATOM 0 HB2 ALA A 145 0.301 12.988 -9.645 1.00 1.09 H new ATOM 0 HB3 ALA A 145 1.827 13.507 -10.399 1.00 1.09 H new ATOM 285 N ASP A 146 4.319 11.326 -8.325 1.00 0.83 N ATOM 286 CA ASP A 146 5.633 10.784 -8.649 1.00 0.88 C ATOM 287 C ASP A 146 6.304 10.219 -7.404 1.00 0.82 C ATOM 288 O ASP A 146 7.521 10.311 -7.243 1.00 0.90 O ATOM 289 CB ASP A 146 6.517 11.859 -9.282 1.00 1.00 C ATOM 290 CG ASP A 146 7.351 11.321 -10.427 1.00 1.61 C ATOM 291 OD1 ASP A 146 8.463 10.815 -10.166 1.00 2.17 O ATOM 292 OD2 ASP A 146 6.894 11.405 -11.586 1.00 2.42 O ATOM 0 H ASP A 146 4.175 11.522 -7.334 1.00 0.83 H new ATOM 0 HA ASP A 146 5.498 9.976 -9.368 1.00 0.88 H new ATOM 0 HB2 ASP A 146 5.890 12.674 -9.644 1.00 1.00 H new ATOM 0 HB3 ASP A 146 7.176 12.278 -8.521 1.00 1.00 H new ATOM 297 N PHE A 147 5.500 9.634 -6.527 1.00 0.70 N ATOM 298 CA PHE A 147 6.006 9.050 -5.292 1.00 0.65 C ATOM 299 C PHE A 147 5.186 7.828 -4.896 1.00 0.56 C ATOM 300 O PHE A 147 4.132 7.563 -5.474 1.00 0.56 O ATOM 301 CB PHE A 147 5.978 10.084 -4.165 1.00 0.65 C ATOM 302 CG PHE A 147 6.858 11.274 -4.418 1.00 0.76 C ATOM 303 CD1 PHE A 147 8.202 11.109 -4.714 1.00 1.37 C ATOM 304 CD2 PHE A 147 6.342 12.558 -4.359 1.00 1.51 C ATOM 305 CE1 PHE A 147 9.014 12.202 -4.947 1.00 1.45 C ATOM 306 CE2 PHE A 147 7.150 13.656 -4.591 1.00 1.59 C ATOM 307 CZ PHE A 147 8.488 13.477 -4.885 1.00 1.02 C ATOM 0 H PHE A 147 4.491 9.551 -6.648 1.00 0.70 H new ATOM 0 HA PHE A 147 7.036 8.737 -5.462 1.00 0.65 H new ATOM 0 HB2 PHE A 147 4.953 10.425 -4.022 1.00 0.65 H new ATOM 0 HB3 PHE A 147 6.287 9.605 -3.236 1.00 0.65 H new ATOM 0 HD1 PHE A 147 8.619 10.114 -4.763 1.00 1.37 H new ATOM 0 HD2 PHE A 147 5.297 12.703 -4.129 1.00 1.51 H new ATOM 0 HE1 PHE A 147 10.059 12.059 -5.177 1.00 1.45 H new ATOM 0 HE2 PHE A 147 6.736 14.652 -4.542 1.00 1.59 H new ATOM 0 HZ PHE A 147 9.121 14.333 -5.066 1.00 1.02 H new ATOM 317 N THR A 148 5.675 7.087 -3.908 1.00 0.57 N ATOM 318 CA THR A 148 4.982 5.894 -3.438 1.00 0.51 C ATOM 319 C THR A 148 4.668 5.999 -1.949 1.00 0.50 C ATOM 320 O THR A 148 4.965 7.010 -1.312 1.00 0.65 O ATOM 321 CB THR A 148 5.826 4.647 -3.706 1.00 0.59 C ATOM 322 OG1 THR A 148 7.175 4.865 -3.330 1.00 0.87 O ATOM 323 CG2 THR A 148 5.818 4.219 -5.158 1.00 0.88 C ATOM 0 H THR A 148 6.546 7.291 -3.418 1.00 0.57 H new ATOM 0 HA THR A 148 4.043 5.812 -3.985 1.00 0.51 H new ATOM 0 HB THR A 148 5.371 3.857 -3.109 1.00 0.59 H new ATOM 0 HG1 THR A 148 7.699 4.056 -3.507 1.00 0.87 H new ATOM 0 HG21 THR A 148 6.436 3.329 -5.278 1.00 0.88 H new ATOM 0 HG22 THR A 148 4.796 3.996 -5.466 1.00 0.88 H new ATOM 0 HG23 THR A 148 6.216 5.023 -5.777 1.00 0.88 H new ATOM 331 N GLY A 149 4.063 4.950 -1.402 1.00 0.46 N ATOM 332 CA GLY A 149 3.718 4.947 0.007 1.00 0.50 C ATOM 333 C GLY A 149 3.838 3.571 0.632 1.00 0.50 C ATOM 334 O GLY A 149 3.386 2.579 0.057 1.00 0.62 O ATOM 0 H GLY A 149 3.806 4.103 -1.909 1.00 0.46 H new ATOM 0 HA2 GLY A 149 4.369 5.642 0.538 1.00 0.50 H new ATOM 0 HA3 GLY A 149 2.697 5.310 0.128 1.00 0.50 H new ATOM 338 N THR A 150 4.448 3.510 1.811 1.00 0.48 N ATOM 339 CA THR A 150 4.625 2.247 2.517 1.00 0.53 C ATOM 340 C THR A 150 3.418 1.945 3.398 1.00 0.47 C ATOM 341 O THR A 150 3.246 2.547 4.458 1.00 0.48 O ATOM 342 CB THR A 150 5.894 2.289 3.369 1.00 0.64 C ATOM 343 OG1 THR A 150 6.918 3.015 2.711 1.00 0.72 O ATOM 344 CG2 THR A 150 6.442 0.917 3.695 1.00 0.75 C ATOM 0 H THR A 150 4.828 4.322 2.298 1.00 0.48 H new ATOM 0 HA THR A 150 4.720 1.454 1.775 1.00 0.53 H new ATOM 0 HB THR A 150 5.600 2.776 4.299 1.00 0.64 H new ATOM 0 HG1 THR A 150 7.787 2.774 3.094 1.00 0.72 H new ATOM 0 HG21 THR A 150 7.342 1.019 4.301 1.00 0.75 H new ATOM 0 HG22 THR A 150 5.694 0.349 4.248 1.00 0.75 H new ATOM 0 HG23 THR A 150 6.685 0.393 2.771 1.00 0.75 H new ATOM 352 N VAL A 151 2.585 1.010 2.953 1.00 0.47 N ATOM 353 CA VAL A 151 1.394 0.630 3.702 1.00 0.48 C ATOM 354 C VAL A 151 1.766 0.003 5.042 1.00 0.55 C ATOM 355 O VAL A 151 2.468 -1.007 5.092 1.00 0.66 O ATOM 356 CB VAL A 151 0.518 -0.359 2.908 1.00 0.55 C ATOM 357 CG1 VAL A 151 -0.766 -0.666 3.663 1.00 0.60 C ATOM 358 CG2 VAL A 151 0.208 0.192 1.523 1.00 0.53 C ATOM 0 H VAL A 151 2.713 0.502 2.078 1.00 0.47 H new ATOM 0 HA VAL A 151 0.825 1.544 3.876 1.00 0.48 H new ATOM 0 HB VAL A 151 1.074 -1.289 2.790 1.00 0.55 H new ATOM 0 HG11 VAL A 151 -1.370 -1.366 3.085 1.00 0.60 H new ATOM 0 HG12 VAL A 151 -0.523 -1.108 4.629 1.00 0.60 H new ATOM 0 HG13 VAL A 151 -1.327 0.256 3.817 1.00 0.60 H new ATOM 0 HG21 VAL A 151 -0.411 -0.521 0.978 1.00 0.53 H new ATOM 0 HG22 VAL A 151 -0.326 1.138 1.619 1.00 0.53 H new ATOM 0 HG23 VAL A 151 1.139 0.354 0.979 1.00 0.53 H new ATOM 368 N THR A 152 1.291 0.609 6.124 1.00 0.56 N ATOM 369 CA THR A 152 1.572 0.109 7.466 1.00 0.65 C ATOM 370 C THR A 152 0.333 -0.535 8.077 1.00 0.71 C ATOM 371 O THR A 152 0.422 -1.568 8.741 1.00 0.82 O ATOM 372 CB THR A 152 2.064 1.247 8.363 1.00 0.70 C ATOM 373 OG1 THR A 152 1.246 2.394 8.212 1.00 1.22 O ATOM 374 CG2 THR A 152 3.491 1.661 8.077 1.00 1.15 C ATOM 0 H THR A 152 0.710 1.447 6.099 1.00 0.56 H new ATOM 0 HA THR A 152 2.352 -0.648 7.389 1.00 0.65 H new ATOM 0 HB THR A 152 2.013 0.856 9.379 1.00 0.70 H new ATOM 0 HG1 THR A 152 1.575 3.110 8.795 1.00 1.22 H new ATOM 0 HG21 THR A 152 3.776 2.471 8.748 1.00 1.15 H new ATOM 0 HG22 THR A 152 4.155 0.811 8.233 1.00 1.15 H new ATOM 0 HG23 THR A 152 3.572 2.000 7.044 1.00 1.15 H new ATOM 382 N GLU A 153 -0.822 0.080 7.846 1.00 0.72 N ATOM 383 CA GLU A 153 -2.081 -0.435 8.373 1.00 0.84 C ATOM 384 C GLU A 153 -3.139 -0.508 7.277 1.00 0.81 C ATOM 385 O GLU A 153 -3.031 0.165 6.251 1.00 0.74 O ATOM 386 CB GLU A 153 -2.577 0.449 9.520 1.00 0.97 C ATOM 387 CG GLU A 153 -2.075 0.011 10.886 1.00 1.36 C ATOM 388 CD GLU A 153 -2.281 1.071 11.949 1.00 1.74 C ATOM 389 OE1 GLU A 153 -3.130 1.964 11.741 1.00 2.32 O ATOM 390 OE2 GLU A 153 -1.594 1.010 12.990 1.00 2.27 O ATOM 0 H GLU A 153 -0.913 0.935 7.298 1.00 0.72 H new ATOM 0 HA GLU A 153 -1.904 -1.442 8.750 1.00 0.84 H new ATOM 0 HB2 GLU A 153 -2.262 1.476 9.338 1.00 0.97 H new ATOM 0 HB3 GLU A 153 -3.667 0.446 9.525 1.00 0.97 H new ATOM 0 HG2 GLU A 153 -2.591 -0.902 11.183 1.00 1.36 H new ATOM 0 HG3 GLU A 153 -1.014 -0.230 10.819 1.00 1.36 H new ATOM 397 N ILE A 154 -4.160 -1.329 7.499 1.00 0.92 N ATOM 398 CA ILE A 154 -5.236 -1.489 6.529 1.00 0.94 C ATOM 399 C ILE A 154 -6.598 -1.495 7.215 1.00 1.05 C ATOM 400 O ILE A 154 -6.784 -2.145 8.243 1.00 1.16 O ATOM 401 CB ILE A 154 -5.076 -2.792 5.722 1.00 0.99 C ATOM 402 CG1 ILE A 154 -3.644 -2.922 5.199 1.00 1.44 C ATOM 403 CG2 ILE A 154 -6.072 -2.827 4.571 1.00 1.53 C ATOM 404 CD1 ILE A 154 -3.321 -4.299 4.660 1.00 1.78 C ATOM 0 H ILE A 154 -4.265 -1.894 8.342 1.00 0.92 H new ATOM 0 HA ILE A 154 -5.177 -0.639 5.849 1.00 0.94 H new ATOM 0 HB ILE A 154 -5.280 -3.637 6.380 1.00 0.99 H new ATOM 0 HG12 ILE A 154 -3.485 -2.186 4.411 1.00 1.44 H new ATOM 0 HG13 ILE A 154 -2.949 -2.683 6.004 1.00 1.44 H new ATOM 0 HG21 ILE A 154 -5.947 -3.753 4.010 1.00 1.53 H new ATOM 0 HG22 ILE A 154 -7.087 -2.776 4.966 1.00 1.53 H new ATOM 0 HG23 ILE A 154 -5.896 -1.977 3.912 1.00 1.53 H new ATOM 0 HD11 ILE A 154 -2.290 -4.319 4.307 1.00 1.78 H new ATOM 0 HD12 ILE A 154 -3.448 -5.038 5.451 1.00 1.78 H new ATOM 0 HD13 ILE A 154 -3.992 -4.533 3.834 1.00 1.78 H new ATOM 416 N ASN A 155 -7.547 -0.764 6.638 1.00 1.08 N ATOM 417 CA ASN A 155 -8.894 -0.684 7.193 1.00 1.21 C ATOM 418 C ASN A 155 -9.916 -1.287 6.232 1.00 1.28 C ATOM 419 O ASN A 155 -10.516 -0.576 5.426 1.00 1.26 O ATOM 420 CB ASN A 155 -9.257 0.772 7.495 1.00 1.20 C ATOM 421 CG ASN A 155 -8.942 1.160 8.926 1.00 1.48 C ATOM 422 OD1 ASN A 155 -7.863 0.864 9.439 1.00 1.88 O ATOM 423 ND2 ASN A 155 -9.886 1.827 9.580 1.00 1.86 N ATOM 0 H ASN A 155 -7.408 -0.219 5.787 1.00 1.08 H new ATOM 0 HA ASN A 155 -8.913 -1.256 8.120 1.00 1.21 H new ATOM 0 HB2 ASN A 155 -8.713 1.428 6.815 1.00 1.20 H new ATOM 0 HB3 ASN A 155 -10.319 0.926 7.305 1.00 1.20 H new ATOM 0 HD21 ASN A 155 -9.731 2.115 10.546 1.00 1.86 H new ATOM 0 HD22 ASN A 155 -10.766 2.052 9.116 1.00 1.86 H new ATOM 430 N PRO A 156 -10.126 -2.613 6.305 1.00 1.43 N ATOM 431 CA PRO A 156 -11.081 -3.309 5.437 1.00 1.56 C ATOM 432 C PRO A 156 -12.529 -2.976 5.784 1.00 1.64 C ATOM 433 O PRO A 156 -13.401 -2.977 4.915 1.00 1.69 O ATOM 434 CB PRO A 156 -10.794 -4.787 5.707 1.00 1.73 C ATOM 435 CG PRO A 156 -10.224 -4.816 7.083 1.00 1.83 C ATOM 436 CD PRO A 156 -9.452 -3.534 7.239 1.00 1.54 C ATOM 0 HA PRO A 156 -10.965 -3.022 4.392 1.00 1.56 H new ATOM 0 HB2 PRO A 156 -11.703 -5.385 5.642 1.00 1.73 H new ATOM 0 HB3 PRO A 156 -10.092 -5.194 4.979 1.00 1.73 H new ATOM 0 HG2 PRO A 156 -11.013 -4.890 7.831 1.00 1.83 H new ATOM 0 HG3 PRO A 156 -9.575 -5.681 7.218 1.00 1.83 H new ATOM 0 HD2 PRO A 156 -9.489 -3.165 8.264 1.00 1.54 H new ATOM 0 HD3 PRO A 156 -8.400 -3.665 6.985 1.00 1.54 H new ATOM 444 N GLU A 157 -12.776 -2.692 7.057 1.00 1.70 N ATOM 445 CA GLU A 157 -14.118 -2.357 7.520 1.00 1.81 C ATOM 446 C GLU A 157 -14.616 -1.073 6.862 1.00 1.73 C ATOM 447 O GLU A 157 -15.770 -0.984 6.446 1.00 1.97 O ATOM 448 CB GLU A 157 -14.133 -2.206 9.042 1.00 1.96 C ATOM 449 CG GLU A 157 -15.325 -2.871 9.709 1.00 2.46 C ATOM 450 CD GLU A 157 -15.191 -2.932 11.218 1.00 3.06 C ATOM 451 OE1 GLU A 157 -14.296 -3.654 11.705 1.00 3.63 O ATOM 452 OE2 GLU A 157 -15.982 -2.260 11.912 1.00 3.46 O ATOM 0 H GLU A 157 -12.064 -2.687 7.788 1.00 1.70 H new ATOM 0 HA GLU A 157 -14.787 -3.170 7.238 1.00 1.81 H new ATOM 0 HB2 GLU A 157 -13.216 -2.631 9.450 1.00 1.96 H new ATOM 0 HB3 GLU A 157 -14.132 -1.145 9.293 1.00 1.96 H new ATOM 0 HG2 GLU A 157 -16.232 -2.325 9.451 1.00 2.46 H new ATOM 0 HG3 GLU A 157 -15.439 -3.882 9.317 1.00 2.46 H new ATOM 459 N ARG A 158 -13.736 -0.081 6.772 1.00 1.57 N ATOM 460 CA ARG A 158 -14.086 1.198 6.166 1.00 1.51 C ATOM 461 C ARG A 158 -13.659 1.240 4.702 1.00 1.38 C ATOM 462 O ARG A 158 -14.461 1.549 3.820 1.00 1.47 O ATOM 463 CB ARG A 158 -13.432 2.348 6.936 1.00 1.54 C ATOM 464 CG ARG A 158 -14.380 3.059 7.889 1.00 1.77 C ATOM 465 CD ARG A 158 -14.090 4.549 7.955 1.00 2.20 C ATOM 466 NE ARG A 158 -15.185 5.293 8.573 1.00 2.70 N ATOM 467 CZ ARG A 158 -15.383 5.363 9.888 1.00 3.28 C ATOM 468 NH1 ARG A 158 -14.566 4.736 10.724 1.00 3.67 N ATOM 469 NH2 ARG A 158 -16.403 6.063 10.367 1.00 3.92 N ATOM 0 H ARG A 158 -12.776 -0.138 7.111 1.00 1.57 H new ATOM 0 HA ARG A 158 -15.169 1.311 6.213 1.00 1.51 H new ATOM 0 HB2 ARG A 158 -12.585 1.960 7.502 1.00 1.54 H new ATOM 0 HB3 ARG A 158 -13.035 3.072 6.224 1.00 1.54 H new ATOM 0 HG2 ARG A 158 -15.409 2.902 7.565 1.00 1.77 H new ATOM 0 HG3 ARG A 158 -14.289 2.625 8.885 1.00 1.77 H new ATOM 0 HD2 ARG A 158 -13.174 4.715 8.521 1.00 2.20 H new ATOM 0 HD3 ARG A 158 -13.916 4.929 6.948 1.00 2.20 H new ATOM 0 HE ARG A 158 -15.835 5.787 7.962 1.00 2.70 H new ATOM 0 HH11 ARG A 158 -13.780 4.196 10.361 1.00 3.67 H new ATOM 0 HH12 ARG A 158 -14.723 4.794 11.730 1.00 3.67 H new ATOM 0 HH21 ARG A 158 -17.034 6.547 9.728 1.00 3.92 H new ATOM 0 HH22 ARG A 158 -16.556 6.118 11.374 1.00 3.92 H new ATOM 483 N GLY A 159 -12.391 0.929 4.452 1.00 1.28 N ATOM 484 CA GLY A 159 -11.878 0.938 3.094 1.00 1.21 C ATOM 485 C GLY A 159 -10.787 1.970 2.894 1.00 1.05 C ATOM 486 O GLY A 159 -10.726 2.626 1.855 1.00 1.16 O ATOM 0 H GLY A 159 -11.709 0.671 5.166 1.00 1.28 H new ATOM 0 HA2 GLY A 159 -11.488 -0.050 2.849 1.00 1.21 H new ATOM 0 HA3 GLY A 159 -12.695 1.139 2.401 1.00 1.21 H new ATOM 490 N LYS A 160 -9.922 2.115 3.892 1.00 0.90 N ATOM 491 CA LYS A 160 -8.826 3.074 3.823 1.00 0.77 C ATOM 492 C LYS A 160 -7.478 2.373 3.961 1.00 0.71 C ATOM 493 O LYS A 160 -7.413 1.193 4.308 1.00 0.79 O ATOM 494 CB LYS A 160 -8.977 4.132 4.917 1.00 0.82 C ATOM 495 CG LYS A 160 -9.766 5.354 4.477 1.00 0.99 C ATOM 496 CD LYS A 160 -10.015 6.306 5.635 1.00 1.29 C ATOM 497 CE LYS A 160 -11.378 6.969 5.528 1.00 1.53 C ATOM 498 NZ LYS A 160 -11.335 8.398 5.943 1.00 2.03 N ATOM 0 H LYS A 160 -9.959 1.580 4.759 1.00 0.90 H new ATOM 0 HA LYS A 160 -8.864 3.560 2.848 1.00 0.77 H new ATOM 0 HB2 LYS A 160 -9.470 3.683 5.779 1.00 0.82 H new ATOM 0 HB3 LYS A 160 -7.987 4.448 5.244 1.00 0.82 H new ATOM 0 HG2 LYS A 160 -9.222 5.874 3.688 1.00 0.99 H new ATOM 0 HG3 LYS A 160 -10.719 5.039 4.053 1.00 0.99 H new ATOM 0 HD2 LYS A 160 -9.947 5.761 6.576 1.00 1.29 H new ATOM 0 HD3 LYS A 160 -9.238 7.070 5.653 1.00 1.29 H new ATOM 0 HE2 LYS A 160 -11.735 6.900 4.501 1.00 1.53 H new ATOM 0 HE3 LYS A 160 -12.093 6.432 6.151 1.00 1.53 H new ATOM 0 HZ1 LYS A 160 -12.284 8.814 5.855 1.00 2.03 H new ATOM 0 HZ2 LYS A 160 -11.018 8.463 6.932 1.00 2.03 H new ATOM 0 HZ3 LYS A 160 -10.672 8.917 5.332 1.00 2.03 H new ATOM 512 N VAL A 161 -6.404 3.107 3.688 1.00 0.62 N ATOM 513 CA VAL A 161 -5.057 2.556 3.782 1.00 0.59 C ATOM 514 C VAL A 161 -4.045 3.640 4.135 1.00 0.52 C ATOM 515 O VAL A 161 -3.952 4.662 3.456 1.00 0.64 O ATOM 516 CB VAL A 161 -4.633 1.882 2.464 1.00 0.63 C ATOM 517 CG1 VAL A 161 -5.460 0.631 2.210 1.00 1.17 C ATOM 518 CG2 VAL A 161 -4.755 2.857 1.302 1.00 1.28 C ATOM 0 H VAL A 161 -6.440 4.085 3.400 1.00 0.62 H new ATOM 0 HA VAL A 161 -5.075 1.807 4.574 1.00 0.59 H new ATOM 0 HB VAL A 161 -3.588 1.585 2.551 1.00 0.63 H new ATOM 0 HG11 VAL A 161 -5.145 0.170 1.274 1.00 1.17 H new ATOM 0 HG12 VAL A 161 -5.314 -0.074 3.029 1.00 1.17 H new ATOM 0 HG13 VAL A 161 -6.515 0.899 2.145 1.00 1.17 H new ATOM 0 HG21 VAL A 161 -4.451 2.363 0.379 1.00 1.28 H new ATOM 0 HG22 VAL A 161 -5.789 3.189 1.212 1.00 1.28 H new ATOM 0 HG23 VAL A 161 -4.112 3.719 1.481 1.00 1.28 H new ATOM 528 N LYS A 162 -3.287 3.408 5.202 1.00 0.53 N ATOM 529 CA LYS A 162 -2.281 4.365 5.646 1.00 0.49 C ATOM 530 C LYS A 162 -0.909 4.016 5.078 1.00 0.42 C ATOM 531 O LYS A 162 -0.459 2.874 5.174 1.00 0.49 O ATOM 532 CB LYS A 162 -2.219 4.399 7.174 1.00 0.56 C ATOM 533 CG LYS A 162 -1.257 5.441 7.720 1.00 0.57 C ATOM 534 CD LYS A 162 -1.052 5.280 9.218 1.00 0.75 C ATOM 535 CE LYS A 162 -0.143 6.363 9.775 1.00 1.29 C ATOM 536 NZ LYS A 162 -0.326 6.541 11.243 1.00 1.89 N ATOM 0 H LYS A 162 -3.351 2.566 5.774 1.00 0.53 H new ATOM 0 HA LYS A 162 -2.566 5.351 5.278 1.00 0.49 H new ATOM 0 HB2 LYS A 162 -3.217 4.597 7.566 1.00 0.56 H new ATOM 0 HB3 LYS A 162 -1.922 3.416 7.539 1.00 0.56 H new ATOM 0 HG2 LYS A 162 -0.298 5.355 7.209 1.00 0.57 H new ATOM 0 HG3 LYS A 162 -1.642 6.439 7.510 1.00 0.57 H new ATOM 0 HD2 LYS A 162 -2.017 5.317 9.724 1.00 0.75 H new ATOM 0 HD3 LYS A 162 -0.621 4.300 9.424 1.00 0.75 H new ATOM 0 HE2 LYS A 162 0.896 6.107 9.567 1.00 1.29 H new ATOM 0 HE3 LYS A 162 -0.347 7.305 9.267 1.00 1.29 H new ATOM 0 HZ1 LYS A 162 0.312 7.288 11.584 1.00 1.89 H new ATOM 0 HZ2 LYS A 162 -1.311 6.810 11.440 1.00 1.89 H new ATOM 0 HZ3 LYS A 162 -0.106 5.649 11.731 1.00 1.89 H new ATOM 550 N VAL A 163 -0.249 5.007 4.488 1.00 0.39 N ATOM 551 CA VAL A 163 1.072 4.804 3.904 1.00 0.41 C ATOM 552 C VAL A 163 1.981 5.999 4.174 1.00 0.45 C ATOM 553 O VAL A 163 1.512 7.080 4.529 1.00 0.55 O ATOM 554 CB VAL A 163 0.986 4.574 2.384 1.00 0.47 C ATOM 555 CG1 VAL A 163 0.331 3.235 2.081 1.00 0.91 C ATOM 556 CG2 VAL A 163 0.229 5.710 1.715 1.00 0.93 C ATOM 0 H VAL A 163 -0.607 5.958 4.402 1.00 0.39 H new ATOM 0 HA VAL A 163 1.492 3.915 4.375 1.00 0.41 H new ATOM 0 HB VAL A 163 1.998 4.555 1.980 1.00 0.47 H new ATOM 0 HG11 VAL A 163 0.279 3.091 1.002 1.00 0.91 H new ATOM 0 HG12 VAL A 163 0.920 2.433 2.526 1.00 0.91 H new ATOM 0 HG13 VAL A 163 -0.676 3.220 2.497 1.00 0.91 H new ATOM 0 HG21 VAL A 163 0.178 5.531 0.641 1.00 0.93 H new ATOM 0 HG22 VAL A 163 -0.781 5.764 2.122 1.00 0.93 H new ATOM 0 HG23 VAL A 163 0.746 6.651 1.901 1.00 0.93 H new ATOM 566 N MET A 164 3.284 5.796 4.002 1.00 0.49 N ATOM 567 CA MET A 164 4.257 6.859 4.226 1.00 0.55 C ATOM 568 C MET A 164 4.862 7.332 2.907 1.00 0.57 C ATOM 569 O MET A 164 5.526 6.568 2.207 1.00 0.63 O ATOM 570 CB MET A 164 5.363 6.377 5.172 1.00 0.64 C ATOM 571 CG MET A 164 6.328 5.388 4.537 1.00 0.69 C ATOM 572 SD MET A 164 7.224 4.411 5.760 1.00 1.25 S ATOM 573 CE MET A 164 8.909 4.622 5.195 1.00 1.89 C ATOM 0 H MET A 164 3.689 4.907 3.709 1.00 0.49 H new ATOM 0 HA MET A 164 3.740 7.701 4.686 1.00 0.55 H new ATOM 0 HB2 MET A 164 5.925 7.240 5.528 1.00 0.64 H new ATOM 0 HB3 MET A 164 4.904 5.913 6.045 1.00 0.64 H new ATOM 0 HG2 MET A 164 5.775 4.719 3.877 1.00 0.69 H new ATOM 0 HG3 MET A 164 7.042 5.930 3.916 1.00 0.69 H new ATOM 0 HE1 MET A 164 9.584 4.075 5.852 1.00 1.89 H new ATOM 0 HE2 MET A 164 9.003 4.239 4.179 1.00 1.89 H new ATOM 0 HE3 MET A 164 9.168 5.681 5.209 1.00 1.89 H new ATOM 583 N VAL A 165 4.627 8.597 2.574 1.00 0.58 N ATOM 584 CA VAL A 165 5.149 9.171 1.339 1.00 0.62 C ATOM 585 C VAL A 165 6.451 9.924 1.593 1.00 0.74 C ATOM 586 O VAL A 165 6.781 10.245 2.734 1.00 0.91 O ATOM 587 CB VAL A 165 4.133 10.129 0.689 1.00 0.68 C ATOM 588 CG1 VAL A 165 2.993 9.348 0.054 1.00 1.12 C ATOM 589 CG2 VAL A 165 3.605 11.122 1.712 1.00 1.13 C ATOM 0 H VAL A 165 4.079 9.244 3.141 1.00 0.58 H new ATOM 0 HA VAL A 165 5.338 8.340 0.659 1.00 0.62 H new ATOM 0 HB VAL A 165 4.640 10.689 -0.097 1.00 0.68 H new ATOM 0 HG11 VAL A 165 2.285 10.042 -0.400 1.00 1.12 H new ATOM 0 HG12 VAL A 165 3.390 8.682 -0.712 1.00 1.12 H new ATOM 0 HG13 VAL A 165 2.485 8.760 0.818 1.00 1.12 H new ATOM 0 HG21 VAL A 165 2.889 11.790 1.234 1.00 1.13 H new ATOM 0 HG22 VAL A 165 3.114 10.583 2.522 1.00 1.13 H new ATOM 0 HG23 VAL A 165 4.433 11.705 2.114 1.00 1.13 H new ATOM 599 N THR A 166 7.186 10.203 0.522 1.00 0.75 N ATOM 600 CA THR A 166 8.453 10.918 0.629 1.00 0.90 C ATOM 601 C THR A 166 8.479 12.126 -0.302 1.00 0.94 C ATOM 602 O THR A 166 8.607 11.983 -1.517 1.00 1.16 O ATOM 603 CB THR A 166 9.619 9.982 0.304 1.00 1.08 C ATOM 604 OG1 THR A 166 9.246 8.630 0.496 1.00 1.60 O ATOM 605 CG2 THR A 166 10.849 10.244 1.145 1.00 1.55 C ATOM 0 H THR A 166 6.926 9.945 -0.430 1.00 0.75 H new ATOM 0 HA THR A 166 8.555 11.273 1.655 1.00 0.90 H new ATOM 0 HB THR A 166 9.864 10.178 -0.740 1.00 1.08 H new ATOM 0 HG1 THR A 166 10.004 8.048 0.281 1.00 1.60 H new ATOM 0 HG21 THR A 166 11.638 9.546 0.864 1.00 1.55 H new ATOM 0 HG22 THR A 166 11.192 11.265 0.979 1.00 1.55 H new ATOM 0 HG23 THR A 166 10.605 10.110 2.199 1.00 1.55 H new ATOM 613 N ILE A 167 8.359 13.316 0.279 1.00 0.94 N ATOM 614 CA ILE A 167 8.370 14.549 -0.498 1.00 1.07 C ATOM 615 C ILE A 167 9.651 15.340 -0.249 1.00 1.28 C ATOM 616 O ILE A 167 9.847 15.901 0.830 1.00 1.87 O ATOM 617 CB ILE A 167 7.156 15.438 -0.163 1.00 1.20 C ATOM 618 CG1 ILE A 167 5.859 14.633 -0.269 1.00 1.42 C ATOM 619 CG2 ILE A 167 7.112 16.647 -1.086 1.00 2.15 C ATOM 620 CD1 ILE A 167 4.855 14.961 0.814 1.00 2.24 C ATOM 0 H ILE A 167 8.253 13.452 1.284 1.00 0.94 H new ATOM 0 HA ILE A 167 8.319 14.263 -1.548 1.00 1.07 H new ATOM 0 HB ILE A 167 7.258 15.792 0.863 1.00 1.20 H new ATOM 0 HG12 ILE A 167 5.405 14.818 -1.242 1.00 1.42 H new ATOM 0 HG13 ILE A 167 6.096 13.570 -0.224 1.00 1.42 H new ATOM 0 HG21 ILE A 167 6.249 17.264 -0.836 1.00 2.15 H new ATOM 0 HG22 ILE A 167 8.024 17.232 -0.964 1.00 2.15 H new ATOM 0 HG23 ILE A 167 7.032 16.312 -2.120 1.00 2.15 H new ATOM 0 HD11 ILE A 167 3.960 14.354 0.677 1.00 2.24 H new ATOM 0 HD12 ILE A 167 5.291 14.750 1.790 1.00 2.24 H new ATOM 0 HD13 ILE A 167 4.589 16.017 0.756 1.00 2.24 H new ATOM 632 N PHE A 168 10.520 15.380 -1.253 1.00 1.52 N ATOM 633 CA PHE A 168 11.783 16.101 -1.144 1.00 1.80 C ATOM 634 C PHE A 168 12.658 15.505 -0.045 1.00 1.56 C ATOM 635 O PHE A 168 13.209 16.225 0.788 1.00 1.83 O ATOM 636 CB PHE A 168 11.526 17.584 -0.864 1.00 2.23 C ATOM 637 CG PHE A 168 11.444 18.423 -2.107 1.00 2.80 C ATOM 638 CD1 PHE A 168 12.426 18.338 -3.082 1.00 3.44 C ATOM 639 CD2 PHE A 168 10.386 19.297 -2.301 1.00 3.31 C ATOM 640 CE1 PHE A 168 12.354 19.109 -4.227 1.00 4.16 C ATOM 641 CE2 PHE A 168 10.309 20.070 -3.444 1.00 4.08 C ATOM 642 CZ PHE A 168 11.294 19.976 -4.408 1.00 4.37 C ATOM 0 H PHE A 168 10.373 14.921 -2.152 1.00 1.52 H new ATOM 0 HA PHE A 168 12.311 16.005 -2.093 1.00 1.80 H new ATOM 0 HB2 PHE A 168 10.595 17.684 -0.306 1.00 2.23 H new ATOM 0 HB3 PHE A 168 12.323 17.969 -0.227 1.00 2.23 H new ATOM 0 HD1 PHE A 168 13.257 17.662 -2.945 1.00 3.44 H new ATOM 0 HD2 PHE A 168 9.613 19.375 -1.551 1.00 3.31 H new ATOM 0 HE1 PHE A 168 13.125 19.034 -4.979 1.00 4.16 H new ATOM 0 HE2 PHE A 168 9.479 20.747 -3.583 1.00 4.08 H new ATOM 0 HZ PHE A 168 11.235 20.579 -5.302 1.00 4.37 H new ATOM 652 N GLY A 169 12.782 14.181 -0.049 1.00 1.47 N ATOM 653 CA GLY A 169 13.591 13.509 0.951 1.00 1.48 C ATOM 654 C GLY A 169 13.087 13.745 2.361 1.00 1.31 C ATOM 655 O GLY A 169 13.853 14.128 3.246 1.00 1.51 O ATOM 0 H GLY A 169 12.337 13.562 -0.727 1.00 1.47 H new ATOM 0 HA2 GLY A 169 13.600 12.438 0.747 1.00 1.48 H new ATOM 0 HA3 GLY A 169 14.621 13.857 0.874 1.00 1.48 H new ATOM 659 N ARG A 170 11.795 13.516 2.573 1.00 1.19 N ATOM 660 CA ARG A 170 11.189 13.705 3.885 1.00 1.26 C ATOM 661 C ARG A 170 9.962 12.816 4.052 1.00 1.10 C ATOM 662 O ARG A 170 9.075 12.798 3.198 1.00 1.00 O ATOM 663 CB ARG A 170 10.802 15.173 4.085 1.00 1.56 C ATOM 664 CG ARG A 170 11.008 15.668 5.506 1.00 2.11 C ATOM 665 CD ARG A 170 10.444 17.067 5.695 1.00 2.79 C ATOM 666 NE ARG A 170 11.020 17.737 6.860 1.00 3.47 N ATOM 667 CZ ARG A 170 10.913 19.043 7.092 1.00 4.14 C ATOM 668 NH1 ARG A 170 10.254 19.824 6.244 1.00 4.35 N ATOM 669 NH2 ARG A 170 11.467 19.572 8.175 1.00 5.00 N ATOM 0 H ARG A 170 11.147 13.199 1.852 1.00 1.19 H new ATOM 0 HA ARG A 170 11.923 13.424 4.640 1.00 1.26 H new ATOM 0 HB2 ARG A 170 11.389 15.791 3.405 1.00 1.56 H new ATOM 0 HB3 ARG A 170 9.755 15.305 3.811 1.00 1.56 H new ATOM 0 HG2 ARG A 170 10.527 14.983 6.204 1.00 2.11 H new ATOM 0 HG3 ARG A 170 12.072 15.668 5.742 1.00 2.11 H new ATOM 0 HD2 ARG A 170 10.640 17.660 4.802 1.00 2.79 H new ATOM 0 HD3 ARG A 170 9.361 17.009 5.808 1.00 2.79 H new ATOM 0 HE ARG A 170 11.534 17.170 7.534 1.00 3.47 H new ATOM 0 HH11 ARG A 170 9.826 19.424 5.409 1.00 4.35 H new ATOM 0 HH12 ARG A 170 10.176 20.824 6.428 1.00 4.35 H new ATOM 0 HH21 ARG A 170 11.975 18.978 8.830 1.00 5.00 H new ATOM 0 HH22 ARG A 170 11.385 20.573 8.353 1.00 5.00 H new ATOM 683 N GLU A 171 9.919 12.077 5.156 1.00 1.14 N ATOM 684 CA GLU A 171 8.801 11.183 5.435 1.00 1.05 C ATOM 685 C GLU A 171 7.546 11.976 5.788 1.00 0.99 C ATOM 686 O GLU A 171 7.623 13.035 6.410 1.00 1.15 O ATOM 687 CB GLU A 171 9.156 10.230 6.577 1.00 1.18 C ATOM 688 CG GLU A 171 9.957 9.019 6.131 1.00 1.82 C ATOM 689 CD GLU A 171 10.921 8.533 7.195 1.00 2.06 C ATOM 690 OE1 GLU A 171 11.301 9.344 8.066 1.00 2.47 O ATOM 691 OE2 GLU A 171 11.296 7.342 7.159 1.00 2.59 O ATOM 0 H GLU A 171 10.646 12.080 5.872 1.00 1.14 H new ATOM 0 HA GLU A 171 8.600 10.601 4.536 1.00 1.05 H new ATOM 0 HB2 GLU A 171 9.726 10.775 7.330 1.00 1.18 H new ATOM 0 HB3 GLU A 171 8.237 9.891 7.056 1.00 1.18 H new ATOM 0 HG2 GLU A 171 9.273 8.212 5.870 1.00 1.82 H new ATOM 0 HG3 GLU A 171 10.514 9.269 5.228 1.00 1.82 H new ATOM 698 N THR A 172 6.391 11.453 5.387 1.00 0.84 N ATOM 699 CA THR A 172 5.119 12.110 5.661 1.00 0.81 C ATOM 700 C THR A 172 3.961 11.118 5.555 1.00 0.68 C ATOM 701 O THR A 172 3.413 10.907 4.473 1.00 0.64 O ATOM 702 CB THR A 172 4.901 13.270 4.688 1.00 0.90 C ATOM 703 OG1 THR A 172 6.099 14.004 4.505 1.00 1.26 O ATOM 704 CG2 THR A 172 3.833 14.241 5.144 1.00 1.28 C ATOM 0 H THR A 172 6.311 10.577 4.872 1.00 0.84 H new ATOM 0 HA THR A 172 5.150 12.499 6.679 1.00 0.81 H new ATOM 0 HB THR A 172 4.575 12.807 3.756 1.00 0.90 H new ATOM 0 HG1 THR A 172 6.607 14.015 5.343 1.00 1.26 H new ATOM 0 HG21 THR A 172 3.729 15.039 4.409 1.00 1.28 H new ATOM 0 HG22 THR A 172 2.883 13.716 5.246 1.00 1.28 H new ATOM 0 HG23 THR A 172 4.117 14.668 6.106 1.00 1.28 H new ATOM 712 N PRO A 173 3.573 10.493 6.681 1.00 0.67 N ATOM 713 CA PRO A 173 2.476 9.521 6.703 1.00 0.59 C ATOM 714 C PRO A 173 1.124 10.167 6.421 1.00 0.55 C ATOM 715 O PRO A 173 0.681 11.052 7.155 1.00 0.70 O ATOM 716 CB PRO A 173 2.515 8.965 8.129 1.00 0.69 C ATOM 717 CG PRO A 173 3.178 10.028 8.936 1.00 0.95 C ATOM 718 CD PRO A 173 4.170 10.684 8.016 1.00 0.81 C ATOM 0 HA PRO A 173 2.595 8.759 5.933 1.00 0.59 H new ATOM 0 HB2 PRO A 173 1.511 8.756 8.499 1.00 0.69 H new ATOM 0 HB3 PRO A 173 3.073 8.029 8.173 1.00 0.69 H new ATOM 0 HG2 PRO A 173 2.450 10.750 9.304 1.00 0.95 H new ATOM 0 HG3 PRO A 173 3.675 9.604 9.808 1.00 0.95 H new ATOM 0 HD2 PRO A 173 4.299 11.740 8.251 1.00 0.81 H new ATOM 0 HD3 PRO A 173 5.153 10.219 8.087 1.00 0.81 H new ATOM 726 N VAL A 174 0.472 9.720 5.352 1.00 0.46 N ATOM 727 CA VAL A 174 -0.830 10.253 4.972 1.00 0.50 C ATOM 728 C VAL A 174 -1.816 9.129 4.674 1.00 0.46 C ATOM 729 O VAL A 174 -1.462 8.129 4.049 1.00 0.45 O ATOM 730 CB VAL A 174 -0.722 11.168 3.737 1.00 0.58 C ATOM 731 CG1 VAL A 174 -2.045 11.872 3.475 1.00 1.63 C ATOM 732 CG2 VAL A 174 0.400 12.177 3.916 1.00 1.43 C ATOM 0 H VAL A 174 0.825 8.990 4.734 1.00 0.46 H new ATOM 0 HA VAL A 174 -1.194 10.837 5.817 1.00 0.50 H new ATOM 0 HB VAL A 174 -0.488 10.550 2.870 1.00 0.58 H new ATOM 0 HG11 VAL A 174 -1.949 12.514 2.599 1.00 1.63 H new ATOM 0 HG12 VAL A 174 -2.823 11.130 3.297 1.00 1.63 H new ATOM 0 HG13 VAL A 174 -2.312 12.478 4.341 1.00 1.63 H new ATOM 0 HG21 VAL A 174 0.461 12.814 3.034 1.00 1.43 H new ATOM 0 HG22 VAL A 174 0.200 12.791 4.794 1.00 1.43 H new ATOM 0 HG23 VAL A 174 1.345 11.650 4.049 1.00 1.43 H new ATOM 742 N GLU A 175 -3.055 9.300 5.124 1.00 0.52 N ATOM 743 CA GLU A 175 -4.092 8.298 4.905 1.00 0.56 C ATOM 744 C GLU A 175 -4.680 8.422 3.503 1.00 0.60 C ATOM 745 O GLU A 175 -5.231 9.460 3.140 1.00 0.75 O ATOM 746 CB GLU A 175 -5.198 8.443 5.952 1.00 0.68 C ATOM 747 CG GLU A 175 -5.904 9.788 5.909 1.00 1.33 C ATOM 748 CD GLU A 175 -6.354 10.255 7.279 1.00 1.81 C ATOM 749 OE1 GLU A 175 -5.648 9.961 8.267 1.00 2.46 O ATOM 750 OE2 GLU A 175 -7.410 10.916 7.365 1.00 2.28 O ATOM 0 H GLU A 175 -3.365 10.122 5.642 1.00 0.52 H new ATOM 0 HA GLU A 175 -3.638 7.312 5.002 1.00 0.56 H new ATOM 0 HB2 GLU A 175 -5.933 7.652 5.804 1.00 0.68 H new ATOM 0 HB3 GLU A 175 -4.769 8.299 6.944 1.00 0.68 H new ATOM 0 HG2 GLU A 175 -5.234 10.532 5.478 1.00 1.33 H new ATOM 0 HG3 GLU A 175 -6.770 9.719 5.250 1.00 1.33 H new ATOM 757 N LEU A 176 -4.558 7.354 2.720 1.00 0.56 N ATOM 758 CA LEU A 176 -5.077 7.341 1.355 1.00 0.62 C ATOM 759 C LEU A 176 -6.021 6.170 1.145 1.00 0.60 C ATOM 760 O LEU A 176 -6.498 5.553 2.097 1.00 0.63 O ATOM 761 CB LEU A 176 -3.942 7.225 0.337 1.00 0.69 C ATOM 762 CG LEU A 176 -2.542 7.565 0.856 1.00 0.85 C ATOM 763 CD1 LEU A 176 -1.492 7.231 -0.193 1.00 1.59 C ATOM 764 CD2 LEU A 176 -2.462 9.033 1.246 1.00 1.64 C ATOM 0 H LEU A 176 -4.105 6.486 3.007 1.00 0.56 H new ATOM 0 HA LEU A 176 -5.611 8.280 1.209 1.00 0.62 H new ATOM 0 HB2 LEU A 176 -3.928 6.205 -0.048 1.00 0.69 H new ATOM 0 HB3 LEU A 176 -4.166 7.881 -0.504 1.00 0.69 H new ATOM 0 HG LEU A 176 -2.345 6.963 1.743 1.00 0.85 H new ATOM 0 HD11 LEU A 176 -0.502 7.478 0.191 1.00 1.59 H new ATOM 0 HD12 LEU A 176 -1.535 6.167 -0.425 1.00 1.59 H new ATOM 0 HD13 LEU A 176 -1.685 7.808 -1.097 1.00 1.59 H new ATOM 0 HD21 LEU A 176 -1.461 9.258 1.613 1.00 1.64 H new ATOM 0 HD22 LEU A 176 -2.678 9.653 0.376 1.00 1.64 H new ATOM 0 HD23 LEU A 176 -3.191 9.242 2.029 1.00 1.64 H new ATOM 776 N ASP A 177 -6.257 5.855 -0.124 1.00 0.60 N ATOM 777 CA ASP A 177 -7.107 4.743 -0.486 1.00 0.62 C ATOM 778 C ASP A 177 -6.700 4.190 -1.846 1.00 0.63 C ATOM 779 O ASP A 177 -6.152 4.907 -2.681 1.00 0.63 O ATOM 780 CB ASP A 177 -8.583 5.154 -0.503 1.00 0.72 C ATOM 781 CG ASP A 177 -8.934 6.133 0.600 1.00 0.79 C ATOM 782 OD1 ASP A 177 -8.459 7.288 0.542 1.00 1.20 O ATOM 783 OD2 ASP A 177 -9.684 5.747 1.522 1.00 1.49 O ATOM 0 H ASP A 177 -5.866 6.362 -0.918 1.00 0.60 H new ATOM 0 HA ASP A 177 -6.982 3.965 0.267 1.00 0.62 H new ATOM 0 HB2 ASP A 177 -8.819 5.602 -1.468 1.00 0.72 H new ATOM 0 HB3 ASP A 177 -9.204 4.264 -0.404 1.00 0.72 H new ATOM 788 N PHE A 178 -6.967 2.908 -2.054 1.00 0.69 N ATOM 789 CA PHE A 178 -6.629 2.237 -3.309 1.00 0.74 C ATOM 790 C PHE A 178 -7.013 3.085 -4.520 1.00 0.76 C ATOM 791 O PHE A 178 -6.381 3.001 -5.574 1.00 0.77 O ATOM 792 CB PHE A 178 -7.327 0.879 -3.386 1.00 0.84 C ATOM 793 CG PHE A 178 -7.092 0.012 -2.182 1.00 0.95 C ATOM 794 CD1 PHE A 178 -5.815 -0.151 -1.669 1.00 1.58 C ATOM 795 CD2 PHE A 178 -8.147 -0.638 -1.564 1.00 1.63 C ATOM 796 CE1 PHE A 178 -5.596 -0.947 -0.561 1.00 1.85 C ATOM 797 CE2 PHE A 178 -7.935 -1.435 -0.455 1.00 1.86 C ATOM 798 CZ PHE A 178 -6.657 -1.590 0.046 1.00 1.62 C ATOM 0 H PHE A 178 -7.420 2.305 -1.367 1.00 0.69 H new ATOM 0 HA PHE A 178 -5.549 2.092 -3.326 1.00 0.74 H new ATOM 0 HB2 PHE A 178 -8.399 1.037 -3.506 1.00 0.84 H new ATOM 0 HB3 PHE A 178 -6.981 0.352 -4.275 1.00 0.84 H new ATOM 0 HD1 PHE A 178 -4.982 0.349 -2.140 1.00 1.58 H new ATOM 0 HD2 PHE A 178 -9.148 -0.521 -1.953 1.00 1.63 H new ATOM 0 HE1 PHE A 178 -4.596 -1.066 -0.170 1.00 1.85 H new ATOM 0 HE2 PHE A 178 -8.767 -1.935 0.019 1.00 1.86 H new ATOM 0 HZ PHE A 178 -6.488 -2.213 0.912 1.00 1.62 H new ATOM 808 N SER A 179 -8.052 3.899 -4.364 1.00 0.81 N ATOM 809 CA SER A 179 -8.519 4.757 -5.447 1.00 0.87 C ATOM 810 C SER A 179 -7.548 5.909 -5.693 1.00 0.78 C ATOM 811 O SER A 179 -7.380 6.360 -6.827 1.00 0.81 O ATOM 812 CB SER A 179 -9.909 5.309 -5.123 1.00 1.03 C ATOM 813 OG SER A 179 -10.882 4.279 -5.136 1.00 1.68 O ATOM 0 H SER A 179 -8.586 3.983 -3.499 1.00 0.81 H new ATOM 0 HA SER A 179 -8.574 4.154 -6.354 1.00 0.87 H new ATOM 0 HB2 SER A 179 -9.895 5.788 -4.144 1.00 1.03 H new ATOM 0 HB3 SER A 179 -10.177 6.076 -5.849 1.00 1.03 H new ATOM 0 HG SER A 179 -11.761 4.657 -4.924 1.00 1.68 H new ATOM 819 N GLN A 180 -6.912 6.382 -4.627 1.00 0.76 N ATOM 820 CA GLN A 180 -5.960 7.483 -4.729 1.00 0.71 C ATOM 821 C GLN A 180 -4.523 6.970 -4.806 1.00 0.61 C ATOM 822 O GLN A 180 -3.575 7.720 -4.568 1.00 0.61 O ATOM 823 CB GLN A 180 -6.112 8.426 -3.533 1.00 0.78 C ATOM 824 CG GLN A 180 -7.478 9.087 -3.450 1.00 0.78 C ATOM 825 CD GLN A 180 -7.451 10.384 -2.666 1.00 1.45 C ATOM 826 OE1 GLN A 180 -6.587 10.590 -1.812 1.00 2.11 O ATOM 827 NE2 GLN A 180 -8.398 11.269 -2.954 1.00 2.16 N ATOM 0 H GLN A 180 -7.038 6.020 -3.682 1.00 0.76 H new ATOM 0 HA GLN A 180 -6.177 8.027 -5.648 1.00 0.71 H new ATOM 0 HB2 GLN A 180 -5.932 7.867 -2.615 1.00 0.78 H new ATOM 0 HB3 GLN A 180 -5.346 9.199 -3.591 1.00 0.78 H new ATOM 0 HG2 GLN A 180 -7.844 9.283 -4.458 1.00 0.78 H new ATOM 0 HG3 GLN A 180 -8.183 8.399 -2.983 1.00 0.78 H new ATOM 0 HE21 GLN A 180 -9.094 11.057 -3.669 1.00 2.16 H new ATOM 0 HE22 GLN A 180 -8.430 12.161 -2.460 1.00 2.16 H new ATOM 836 N VAL A 181 -4.365 5.693 -5.144 1.00 0.59 N ATOM 837 CA VAL A 181 -3.040 5.092 -5.252 1.00 0.55 C ATOM 838 C VAL A 181 -3.037 3.946 -6.258 1.00 0.59 C ATOM 839 O VAL A 181 -4.092 3.444 -6.646 1.00 0.70 O ATOM 840 CB VAL A 181 -2.548 4.568 -3.889 1.00 0.57 C ATOM 841 CG1 VAL A 181 -2.399 5.712 -2.899 1.00 0.77 C ATOM 842 CG2 VAL A 181 -3.496 3.506 -3.351 1.00 0.70 C ATOM 0 H VAL A 181 -5.136 5.057 -5.347 1.00 0.59 H new ATOM 0 HA VAL A 181 -2.364 5.875 -5.596 1.00 0.55 H new ATOM 0 HB VAL A 181 -1.569 4.110 -4.028 1.00 0.57 H new ATOM 0 HG11 VAL A 181 -2.051 5.322 -1.942 1.00 0.77 H new ATOM 0 HG12 VAL A 181 -1.677 6.433 -3.282 1.00 0.77 H new ATOM 0 HG13 VAL A 181 -3.363 6.202 -2.762 1.00 0.77 H new ATOM 0 HG21 VAL A 181 -3.132 3.148 -2.388 1.00 0.70 H new ATOM 0 HG22 VAL A 181 -4.490 3.935 -3.227 1.00 0.70 H new ATOM 0 HG23 VAL A 181 -3.545 2.673 -4.053 1.00 0.70 H new ATOM 852 N VAL A 182 -1.844 3.536 -6.676 1.00 0.59 N ATOM 853 CA VAL A 182 -1.703 2.447 -7.636 1.00 0.66 C ATOM 854 C VAL A 182 -0.535 1.539 -7.269 1.00 0.66 C ATOM 855 O VAL A 182 0.449 1.985 -6.680 1.00 0.63 O ATOM 856 CB VAL A 182 -1.494 2.981 -9.065 1.00 0.74 C ATOM 857 CG1 VAL A 182 -2.745 3.692 -9.559 1.00 0.88 C ATOM 858 CG2 VAL A 182 -0.289 3.909 -9.117 1.00 0.87 C ATOM 0 H VAL A 182 -0.961 3.941 -6.365 1.00 0.59 H new ATOM 0 HA VAL A 182 -2.630 1.874 -7.603 1.00 0.66 H new ATOM 0 HB VAL A 182 -1.301 2.135 -9.724 1.00 0.74 H new ATOM 0 HG11 VAL A 182 -2.578 4.062 -10.570 1.00 0.88 H new ATOM 0 HG12 VAL A 182 -3.583 2.995 -9.562 1.00 0.88 H new ATOM 0 HG13 VAL A 182 -2.972 4.529 -8.899 1.00 0.88 H new ATOM 0 HG21 VAL A 182 -0.157 4.277 -10.135 1.00 0.87 H new ATOM 0 HG22 VAL A 182 -0.449 4.752 -8.445 1.00 0.87 H new ATOM 0 HG23 VAL A 182 0.603 3.364 -8.809 1.00 0.87 H new ATOM 868 N LYS A 183 -0.650 0.263 -7.623 1.00 0.84 N ATOM 869 CA LYS A 183 0.398 -0.709 -7.331 1.00 0.89 C ATOM 870 C LYS A 183 1.603 -0.500 -8.244 1.00 0.95 C ATOM 871 O LYS A 183 1.462 -0.405 -9.463 1.00 1.11 O ATOM 872 CB LYS A 183 -0.138 -2.132 -7.491 1.00 1.10 C ATOM 873 CG LYS A 183 0.410 -3.107 -6.462 1.00 1.22 C ATOM 874 CD LYS A 183 0.394 -4.535 -6.984 1.00 1.83 C ATOM 875 CE LYS A 183 0.921 -5.513 -5.947 1.00 2.41 C ATOM 876 NZ LYS A 183 0.298 -6.858 -6.084 1.00 2.98 N ATOM 0 H LYS A 183 -1.458 -0.122 -8.112 1.00 0.84 H new ATOM 0 HA LYS A 183 0.717 -0.563 -6.299 1.00 0.89 H new ATOM 0 HB2 LYS A 183 -1.225 -2.112 -7.418 1.00 1.10 H new ATOM 0 HB3 LYS A 183 0.108 -2.494 -8.489 1.00 1.10 H new ATOM 0 HG2 LYS A 183 1.430 -2.826 -6.200 1.00 1.22 H new ATOM 0 HG3 LYS A 183 -0.182 -3.045 -5.549 1.00 1.22 H new ATOM 0 HD2 LYS A 183 -0.623 -4.811 -7.262 1.00 1.83 H new ATOM 0 HD3 LYS A 183 1.000 -4.600 -7.888 1.00 1.83 H new ATOM 0 HE2 LYS A 183 2.003 -5.602 -6.049 1.00 2.41 H new ATOM 0 HE3 LYS A 183 0.726 -5.123 -4.948 1.00 2.41 H new ATOM 0 HZ1 LYS A 183 0.684 -7.495 -5.358 1.00 2.98 H new ATOM 0 HZ2 LYS A 183 -0.732 -6.778 -5.961 1.00 2.98 H new ATOM 0 HZ3 LYS A 183 0.505 -7.242 -7.028 1.00 2.98 H new ATOM 890 N ALA A 184 2.787 -0.431 -7.645 1.00 0.89 N ATOM 891 CA ALA A 184 4.017 -0.234 -8.403 1.00 1.02 C ATOM 892 C ALA A 184 4.870 -1.497 -8.400 1.00 1.17 C ATOM 893 O ALA A 184 4.574 -2.410 -7.599 1.00 1.69 O ATOM 894 CB ALA A 184 4.803 0.939 -7.836 1.00 1.06 C ATOM 895 OXT ALA A 184 5.829 -1.565 -9.198 1.00 1.65 O ATOM 0 H ALA A 184 2.921 -0.509 -6.637 1.00 0.89 H new ATOM 0 HA ALA A 184 3.748 -0.011 -9.436 1.00 1.02 H new ATOM 0 HB1 ALA A 184 5.719 1.075 -8.411 1.00 1.06 H new ATOM 0 HB2 ALA A 184 4.199 1.844 -7.896 1.00 1.06 H new ATOM 0 HB3 ALA A 184 5.055 0.739 -6.795 1.00 1.06 H new