USER MOD reduce.3.24.130724 H: found=0, std=0, add=499, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 500 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 133 THR OG1 : rot -33:sc= 0.124 USER MOD Set 1.2: A 172 GLN : amide:sc= -0.171 K(o=-0.047,f=-1.5) USER MOD Single : A 134 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 140 ASN : amide:sc= -0.0268 K(o=-0.027,f=-0.9) USER MOD Single : A 144 ASN : amide:sc= -0.229 K(o=-0.23,f=-0.82) USER MOD Single : A 146 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 147 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 148 ASN : amide:sc= -0.12 X(o=-0.12,f=-0.12) USER MOD Single : A 150 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0723) USER MOD Single : A 151 THR OG1 : rot -179:sc= -0.928 USER MOD Single : A 152 SER OG : rot -95:sc= 1.33 USER MOD Single : A 154 MET CE :methyl -159:sc= -0.867 (180deg=-2.12) USER MOD Single : A 155 MET CE :methyl 180:sc= -0.0821 (180deg=-0.0821) USER MOD Single : A 156 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 159 GLN : amide:sc= -0.236 X(o=-0.24,f=-0.55) USER MOD Single : A 163 LYS NZ :NH3+ 159:sc= -0.0483 (180deg=-0.465) USER MOD Single : A 167 TYR OH : rot 60:sc= -1.87 USER MOD Single : A 168 LYS NZ :NH3+ -119:sc= -0.284 (180deg=-0.567) USER MOD Single : A 169 GLN : amide:sc=-0.000878 K(o=-0.00088,f=-0.81) USER MOD Single : A 170 ASN : amide:sc= -0.0289 K(o=-0.029,f=-0.83) USER MOD Single : A 176 GLN : amide:sc=-0.00629 K(o=-0.0063,f=-0.82) USER MOD Single : A 180 THR OG1 : rot -47:sc= 1.27 USER MOD Single : A 185 MET CE :methyl -149:sc= -0.348 (180deg=-0.593) USER MOD Single : A 186 THR OG1 : rot 180:sc= 0 USER MOD Single : A 188 MET CE :methyl 136:sc= -6.09! (180deg=-9.8!) USER MOD Single : A 190 THR OG1 : rot 45:sc= 1.05 USER MOD Single : A 192 MET CE :methyl -144:sc= -0.423 (180deg=-1.85!) USER MOD ----------------------------------------------------------------- ATOM 91 N THR A 133 62.995 -1.188 -5.011 1.00 0.00 N ATOM 92 CA THR A 133 61.942 -0.883 -5.975 1.00 0.00 C ATOM 93 C THR A 133 61.266 -2.135 -6.503 1.00 0.00 C ATOM 94 O THR A 133 60.059 -2.141 -6.679 1.00 0.00 O ATOM 95 CB THR A 133 62.531 -0.084 -7.134 1.00 0.00 C ATOM 96 OG1 THR A 133 63.605 -0.809 -7.715 1.00 0.00 O ATOM 97 CG2 THR A 133 63.038 1.253 -6.599 1.00 0.00 C ATOM 0 HA THR A 133 61.181 -0.296 -5.461 1.00 0.00 H new ATOM 0 HB THR A 133 61.769 0.088 -7.894 1.00 0.00 H new ATOM 0 HG1 THR A 133 64.066 -1.324 -7.020 1.00 0.00 H new ATOM 0 HG21 THR A 133 63.462 1.835 -7.417 1.00 0.00 H new ATOM 0 HG22 THR A 133 62.210 1.804 -6.153 1.00 0.00 H new ATOM 0 HG23 THR A 133 63.804 1.076 -5.844 1.00 0.00 H new ATOM 105 N GLN A 134 62.025 -3.210 -6.686 1.00 0.00 N ATOM 106 CA GLN A 134 61.471 -4.434 -7.272 1.00 0.00 C ATOM 107 C GLN A 134 60.227 -4.905 -6.511 1.00 0.00 C ATOM 108 O GLN A 134 59.204 -5.221 -7.123 1.00 0.00 O ATOM 109 CB GLN A 134 62.526 -5.541 -7.273 1.00 0.00 C ATOM 110 CG GLN A 134 63.651 -5.174 -8.243 1.00 0.00 C ATOM 111 CD GLN A 134 64.732 -6.252 -8.222 1.00 0.00 C ATOM 112 OE1 GLN A 134 65.011 -6.832 -7.173 1.00 0.00 O ATOM 113 NE2 GLN A 134 65.359 -6.554 -9.325 1.00 0.00 N ATOM 0 H GLN A 134 63.014 -3.264 -6.442 1.00 0.00 H new ATOM 0 HA GLN A 134 61.178 -4.209 -8.298 1.00 0.00 H new ATOM 0 HB2 GLN A 134 62.927 -5.676 -6.269 1.00 0.00 H new ATOM 0 HB3 GLN A 134 62.074 -6.489 -7.566 1.00 0.00 H new ATOM 0 HG2 GLN A 134 63.252 -5.067 -9.252 1.00 0.00 H new ATOM 0 HG3 GLN A 134 64.081 -4.211 -7.967 1.00 0.00 H new ATOM 0 HE21 GLN A 134 65.126 -6.072 -10.193 1.00 0.00 H new ATOM 0 HE22 GLN A 134 66.083 -7.273 -9.320 1.00 0.00 H new ATOM 122 N LEU A 135 60.284 -4.859 -5.180 1.00 0.00 N ATOM 123 CA LEU A 135 59.168 -5.340 -4.366 1.00 0.00 C ATOM 124 C LEU A 135 57.893 -4.535 -4.612 1.00 0.00 C ATOM 125 O LEU A 135 56.858 -5.104 -4.966 1.00 0.00 O ATOM 126 CB LEU A 135 59.530 -5.229 -2.891 1.00 0.00 C ATOM 127 CG LEU A 135 60.646 -6.210 -2.551 1.00 0.00 C ATOM 128 CD1 LEU A 135 61.156 -5.905 -1.146 1.00 0.00 C ATOM 129 CD2 LEU A 135 60.095 -7.636 -2.600 1.00 0.00 C ATOM 0 H LEU A 135 61.077 -4.500 -4.649 1.00 0.00 H new ATOM 0 HA LEU A 135 58.982 -6.377 -4.646 1.00 0.00 H new ATOM 0 HB2 LEU A 135 59.847 -4.212 -2.662 1.00 0.00 H new ATOM 0 HB3 LEU A 135 58.654 -5.436 -2.277 1.00 0.00 H new ATOM 0 HG LEU A 135 61.462 -6.114 -3.268 1.00 0.00 H new ATOM 0 HD11 LEU A 135 61.955 -6.600 -0.890 1.00 0.00 H new ATOM 0 HD12 LEU A 135 61.538 -4.885 -1.111 1.00 0.00 H new ATOM 0 HD13 LEU A 135 60.340 -6.012 -0.431 1.00 0.00 H new ATOM 0 HD21 LEU A 135 60.890 -8.342 -2.358 1.00 0.00 H new ATOM 0 HD22 LEU A 135 59.286 -7.738 -1.877 1.00 0.00 H new ATOM 0 HD23 LEU A 135 59.716 -7.846 -3.600 1.00 0.00 H new ATOM 141 N PHE A 136 57.972 -3.214 -4.434 1.00 0.00 N ATOM 142 CA PHE A 136 56.835 -2.349 -4.752 1.00 0.00 C ATOM 143 C PHE A 136 56.649 -2.040 -6.238 1.00 0.00 C ATOM 144 O PHE A 136 55.512 -1.888 -6.688 1.00 0.00 O ATOM 145 CB PHE A 136 56.736 -1.107 -3.850 1.00 0.00 C ATOM 146 CG PHE A 136 58.017 -0.562 -3.272 1.00 0.00 C ATOM 147 CD1 PHE A 136 59.001 0.074 -4.062 1.00 0.00 C ATOM 148 CD2 PHE A 136 58.186 -0.659 -1.875 1.00 0.00 C ATOM 149 CE1 PHE A 136 60.162 0.602 -3.437 1.00 0.00 C ATOM 150 CE2 PHE A 136 59.339 -0.135 -1.257 1.00 0.00 C ATOM 151 CZ PHE A 136 60.328 0.497 -2.037 1.00 0.00 C ATOM 0 H PHE A 136 58.795 -2.728 -4.078 1.00 0.00 H new ATOM 0 HA PHE A 136 55.969 -2.963 -4.505 1.00 0.00 H new ATOM 0 HB2 PHE A 136 56.261 -0.311 -4.424 1.00 0.00 H new ATOM 0 HB3 PHE A 136 56.068 -1.345 -3.022 1.00 0.00 H new ATOM 0 HD1 PHE A 136 58.871 0.158 -5.131 1.00 0.00 H new ATOM 0 HD2 PHE A 136 57.427 -1.138 -1.275 1.00 0.00 H new ATOM 0 HE1 PHE A 136 60.921 1.086 -4.034 1.00 0.00 H new ATOM 0 HE2 PHE A 136 59.464 -0.218 -0.187 1.00 0.00 H new ATOM 0 HZ PHE A 136 61.212 0.901 -1.566 1.00 0.00 H new ATOM 161 N ALA A 137 57.720 -2.061 -7.024 1.00 0.00 N ATOM 162 CA ALA A 137 57.590 -1.838 -8.474 1.00 0.00 C ATOM 163 C ALA A 137 56.655 -2.885 -9.098 1.00 0.00 C ATOM 164 O ALA A 137 56.048 -2.643 -10.141 1.00 0.00 O ATOM 165 CB ALA A 137 58.956 -1.898 -9.161 1.00 0.00 C ATOM 0 H ALA A 137 58.672 -2.226 -6.698 1.00 0.00 H new ATOM 0 HA ALA A 137 57.166 -0.845 -8.621 1.00 0.00 H new ATOM 0 HB1 ALA A 137 58.833 -1.730 -10.231 1.00 0.00 H new ATOM 0 HB2 ALA A 137 59.606 -1.128 -8.746 1.00 0.00 H new ATOM 0 HB3 ALA A 137 59.403 -2.878 -8.997 1.00 0.00 H new ATOM 171 N ASP A 138 56.550 -4.049 -8.447 1.00 0.00 N ATOM 172 CA ASP A 138 55.519 -5.041 -8.782 1.00 0.00 C ATOM 173 C ASP A 138 54.120 -4.395 -8.755 1.00 0.00 C ATOM 174 O ASP A 138 53.880 -3.476 -7.971 1.00 0.00 O ATOM 175 CB ASP A 138 55.575 -6.181 -7.748 1.00 0.00 C ATOM 176 CG ASP A 138 55.139 -7.523 -8.346 1.00 0.00 C ATOM 177 OD1 ASP A 138 54.988 -7.607 -9.551 1.00 0.00 O ATOM 178 OD2 ASP A 138 54.963 -8.453 -7.577 1.00 0.00 O ATOM 0 H ASP A 138 57.167 -4.328 -7.684 1.00 0.00 H new ATOM 0 HA ASP A 138 55.705 -5.428 -9.784 1.00 0.00 H new ATOM 0 HB2 ASP A 138 56.590 -6.270 -7.361 1.00 0.00 H new ATOM 0 HB3 ASP A 138 54.932 -5.935 -6.903 1.00 0.00 H new ATOM 183 N PRO A 139 53.208 -4.843 -9.593 1.00 0.00 N ATOM 184 CA PRO A 139 51.754 -4.539 -9.405 1.00 0.00 C ATOM 185 C PRO A 139 51.206 -5.160 -8.125 1.00 0.00 C ATOM 186 O PRO A 139 51.823 -6.058 -7.551 1.00 0.00 O ATOM 187 CB PRO A 139 51.065 -5.133 -10.645 1.00 0.00 C ATOM 188 CG PRO A 139 52.081 -6.011 -11.287 1.00 0.00 C ATOM 189 CD PRO A 139 53.437 -5.413 -10.931 1.00 0.00 C ATOM 0 HA PRO A 139 51.578 -3.468 -9.306 1.00 0.00 H new ATOM 0 HB2 PRO A 139 50.177 -5.700 -10.366 1.00 0.00 H new ATOM 0 HB3 PRO A 139 50.740 -4.347 -11.327 1.00 0.00 H new ATOM 0 HG2 PRO A 139 51.998 -7.035 -10.923 1.00 0.00 H new ATOM 0 HG3 PRO A 139 51.941 -6.045 -12.367 1.00 0.00 H new ATOM 0 HD2 PRO A 139 54.221 -6.170 -10.918 1.00 0.00 H new ATOM 0 HD3 PRO A 139 53.742 -4.650 -11.648 1.00 0.00 H new ATOM 197 N ASN A 140 50.004 -4.716 -7.735 1.00 0.00 N ATOM 198 CA ASN A 140 49.448 -4.902 -6.373 1.00 0.00 C ATOM 199 C ASN A 140 50.429 -5.480 -5.343 1.00 0.00 C ATOM 200 O ASN A 140 50.419 -6.684 -5.074 1.00 0.00 O ATOM 201 CB ASN A 140 48.220 -5.824 -6.451 1.00 0.00 C ATOM 202 CG ASN A 140 47.230 -5.321 -7.501 1.00 0.00 C ATOM 203 OD1 ASN A 140 47.140 -4.118 -7.748 1.00 0.00 O ATOM 204 ND2 ASN A 140 46.496 -6.179 -8.153 1.00 0.00 N ATOM 0 H ASN A 140 49.376 -4.210 -8.359 1.00 0.00 H new ATOM 0 HA ASN A 140 49.195 -3.902 -6.022 1.00 0.00 H new ATOM 0 HB2 ASN A 140 48.536 -6.838 -6.698 1.00 0.00 H new ATOM 0 HB3 ASN A 140 47.732 -5.871 -5.477 1.00 0.00 H new ATOM 0 HD21 ASN A 140 45.846 -5.854 -8.869 1.00 0.00 H new ATOM 0 HD22 ASN A 140 46.572 -7.175 -7.947 1.00 0.00 H new ATOM 211 N LEU A 141 51.297 -4.633 -4.790 1.00 0.00 N ATOM 212 CA LEU A 141 51.927 -4.956 -3.510 1.00 0.00 C ATOM 213 C LEU A 141 51.378 -4.058 -2.385 1.00 0.00 C ATOM 214 O LEU A 141 51.464 -4.416 -1.209 1.00 0.00 O ATOM 215 CB LEU A 141 53.445 -4.770 -3.625 1.00 0.00 C ATOM 216 CG LEU A 141 54.141 -5.280 -2.355 1.00 0.00 C ATOM 217 CD1 LEU A 141 54.054 -6.813 -2.284 1.00 0.00 C ATOM 218 CD2 LEU A 141 55.610 -4.847 -2.367 1.00 0.00 C ATOM 0 H LEU A 141 51.575 -3.739 -5.196 1.00 0.00 H new ATOM 0 HA LEU A 141 51.700 -5.993 -3.264 1.00 0.00 H new ATOM 0 HB2 LEU A 141 53.820 -5.309 -4.495 1.00 0.00 H new ATOM 0 HB3 LEU A 141 53.679 -3.716 -3.778 1.00 0.00 H new ATOM 0 HG LEU A 141 53.644 -4.857 -1.482 1.00 0.00 H new ATOM 0 HD11 LEU A 141 54.551 -7.164 -1.380 1.00 0.00 H new ATOM 0 HD12 LEU A 141 53.008 -7.118 -2.265 1.00 0.00 H new ATOM 0 HD13 LEU A 141 54.542 -7.246 -3.157 1.00 0.00 H new ATOM 0 HD21 LEU A 141 56.103 -5.209 -1.465 1.00 0.00 H new ATOM 0 HD22 LEU A 141 56.105 -5.264 -3.244 1.00 0.00 H new ATOM 0 HD23 LEU A 141 55.668 -3.759 -2.400 1.00 0.00 H new ATOM 230 N ILE A 142 50.691 -2.968 -2.752 1.00 0.00 N ATOM 231 CA ILE A 142 50.140 -2.060 -1.750 1.00 0.00 C ATOM 232 C ILE A 142 49.032 -2.741 -0.937 1.00 0.00 C ATOM 233 O ILE A 142 48.862 -2.434 0.242 1.00 0.00 O ATOM 234 CB ILE A 142 49.652 -0.747 -2.419 1.00 0.00 C ATOM 235 CG1 ILE A 142 50.865 0.181 -2.651 1.00 0.00 C ATOM 236 CG2 ILE A 142 48.634 -0.014 -1.522 1.00 0.00 C ATOM 237 CD1 ILE A 142 50.444 1.410 -3.473 1.00 0.00 C ATOM 0 H ILE A 142 50.508 -2.701 -3.719 1.00 0.00 H new ATOM 0 HA ILE A 142 50.930 -1.796 -1.047 1.00 0.00 H new ATOM 0 HB ILE A 142 49.171 -0.999 -3.364 1.00 0.00 H new ATOM 0 HG12 ILE A 142 51.277 0.499 -1.693 1.00 0.00 H new ATOM 0 HG13 ILE A 142 51.653 -0.362 -3.173 1.00 0.00 H new ATOM 0 HG21 ILE A 142 48.309 0.902 -2.015 1.00 0.00 H new ATOM 0 HG22 ILE A 142 47.772 -0.658 -1.348 1.00 0.00 H new ATOM 0 HG23 ILE A 142 49.101 0.233 -0.568 1.00 0.00 H new ATOM 0 HD11 ILE A 142 51.308 2.056 -3.630 1.00 0.00 H new ATOM 0 HD12 ILE A 142 50.053 1.086 -4.438 1.00 0.00 H new ATOM 0 HD13 ILE A 142 49.672 1.960 -2.935 1.00 0.00 H new ATOM 249 N GLU A 143 48.309 -3.693 -1.533 1.00 0.00 N ATOM 250 CA GLU A 143 47.158 -4.291 -0.846 1.00 0.00 C ATOM 251 C GLU A 143 47.602 -5.050 0.404 1.00 0.00 C ATOM 252 O GLU A 143 47.106 -4.807 1.507 1.00 0.00 O ATOM 253 CB GLU A 143 46.450 -5.263 -1.789 1.00 0.00 C ATOM 254 CG GLU A 143 45.771 -4.480 -2.912 1.00 0.00 C ATOM 255 CD GLU A 143 44.990 -5.430 -3.813 1.00 0.00 C ATOM 256 OE1 GLU A 143 45.618 -6.121 -4.599 1.00 0.00 O ATOM 257 OE2 GLU A 143 43.775 -5.453 -3.705 1.00 0.00 O ATOM 0 H GLU A 143 48.492 -4.060 -2.467 1.00 0.00 H new ATOM 0 HA GLU A 143 46.482 -3.489 -0.550 1.00 0.00 H new ATOM 0 HB2 GLU A 143 47.168 -5.969 -2.206 1.00 0.00 H new ATOM 0 HB3 GLU A 143 45.711 -5.846 -1.240 1.00 0.00 H new ATOM 0 HG2 GLU A 143 45.100 -3.732 -2.490 1.00 0.00 H new ATOM 0 HG3 GLU A 143 46.519 -3.944 -3.496 1.00 0.00 H new ATOM 264 N ASN A 144 48.619 -5.895 0.248 1.00 0.00 N ATOM 265 CA ASN A 144 49.237 -6.574 1.390 1.00 0.00 C ATOM 266 C ASN A 144 49.689 -5.556 2.440 1.00 0.00 C ATOM 267 O ASN A 144 49.568 -5.789 3.644 1.00 0.00 O ATOM 268 CB ASN A 144 50.445 -7.382 0.907 1.00 0.00 C ATOM 269 CG ASN A 144 50.022 -8.381 -0.169 1.00 0.00 C ATOM 270 OD1 ASN A 144 48.888 -8.863 -0.163 1.00 0.00 O ATOM 271 ND2 ASN A 144 50.858 -8.689 -1.124 1.00 0.00 N ATOM 0 H ASN A 144 49.033 -6.127 -0.655 1.00 0.00 H new ATOM 0 HA ASN A 144 48.503 -7.240 1.843 1.00 0.00 H new ATOM 0 HB2 ASN A 144 51.205 -6.709 0.509 1.00 0.00 H new ATOM 0 HB3 ASN A 144 50.896 -7.911 1.747 1.00 0.00 H new ATOM 0 HD21 ASN A 144 50.572 -9.329 -1.865 1.00 0.00 H new ATOM 0 HD22 ASN A 144 51.797 -8.290 -1.129 1.00 0.00 H new ATOM 278 N LEU A 145 50.209 -4.434 1.960 1.00 0.00 N ATOM 279 CA LEU A 145 50.623 -3.344 2.837 1.00 0.00 C ATOM 280 C LEU A 145 49.442 -2.721 3.580 1.00 0.00 C ATOM 281 O LEU A 145 49.637 -2.059 4.598 1.00 0.00 O ATOM 282 CB LEU A 145 51.394 -2.280 2.053 1.00 0.00 C ATOM 283 CG LEU A 145 52.606 -2.926 1.369 1.00 0.00 C ATOM 284 CD1 LEU A 145 53.367 -1.863 0.576 1.00 0.00 C ATOM 285 CD2 LEU A 145 53.542 -3.547 2.417 1.00 0.00 C ATOM 0 H LEU A 145 50.355 -4.254 0.967 1.00 0.00 H new ATOM 0 HA LEU A 145 51.286 -3.771 3.589 1.00 0.00 H new ATOM 0 HB2 LEU A 145 50.745 -1.820 1.308 1.00 0.00 H new ATOM 0 HB3 LEU A 145 51.722 -1.486 2.723 1.00 0.00 H new ATOM 0 HG LEU A 145 52.257 -3.710 0.698 1.00 0.00 H new ATOM 0 HD11 LEU A 145 54.229 -2.320 0.089 1.00 0.00 H new ATOM 0 HD12 LEU A 145 52.710 -1.432 -0.179 1.00 0.00 H new ATOM 0 HD13 LEU A 145 53.706 -1.078 1.252 1.00 0.00 H new ATOM 0 HD21 LEU A 145 54.397 -4.002 1.917 1.00 0.00 H new ATOM 0 HD22 LEU A 145 53.890 -2.771 3.099 1.00 0.00 H new ATOM 0 HD23 LEU A 145 53.003 -4.309 2.980 1.00 0.00 H new ATOM 297 N LYS A 146 48.241 -2.813 3.008 1.00 0.00 N ATOM 298 CA LYS A 146 47.049 -2.298 3.684 1.00 0.00 C ATOM 299 C LYS A 146 46.807 -3.017 5.020 1.00 0.00 C ATOM 300 O LYS A 146 46.589 -2.373 6.047 1.00 0.00 O ATOM 301 CB LYS A 146 45.808 -2.474 2.803 1.00 0.00 C ATOM 302 CG LYS A 146 45.978 -1.682 1.505 1.00 0.00 C ATOM 303 CD LYS A 146 44.662 -1.695 0.724 1.00 0.00 C ATOM 304 CE LYS A 146 43.644 -0.788 1.419 1.00 0.00 C ATOM 305 NZ LYS A 146 42.436 -0.645 0.558 1.00 0.00 N ATOM 0 H LYS A 146 48.068 -3.232 2.094 1.00 0.00 H new ATOM 0 HA LYS A 146 47.223 -1.239 3.874 1.00 0.00 H new ATOM 0 HB2 LYS A 146 45.657 -3.530 2.578 1.00 0.00 H new ATOM 0 HB3 LYS A 146 44.921 -2.131 3.336 1.00 0.00 H new ATOM 0 HG2 LYS A 146 46.271 -0.656 1.728 1.00 0.00 H new ATOM 0 HG3 LYS A 146 46.775 -2.117 0.902 1.00 0.00 H new ATOM 0 HD2 LYS A 146 44.830 -1.354 -0.298 1.00 0.00 H new ATOM 0 HD3 LYS A 146 44.275 -2.712 0.661 1.00 0.00 H new ATOM 0 HE2 LYS A 146 43.367 -1.208 2.386 1.00 0.00 H new ATOM 0 HE3 LYS A 146 44.084 0.190 1.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 146 41.744 -0.029 1.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 146 42.707 -0.226 -0.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 146 42.012 -1.581 0.396 1.00 0.00 H new ATOM 319 N LYS A 147 46.816 -4.355 4.993 1.00 0.00 N ATOM 320 CA LYS A 147 46.257 -5.119 6.117 1.00 0.00 C ATOM 321 C LYS A 147 47.223 -5.335 7.303 1.00 0.00 C ATOM 322 O LYS A 147 46.819 -5.136 8.451 1.00 0.00 O ATOM 323 CB LYS A 147 45.782 -6.481 5.613 1.00 0.00 C ATOM 324 CG LYS A 147 44.623 -6.288 4.634 1.00 0.00 C ATOM 325 CD LYS A 147 44.072 -7.653 4.216 1.00 0.00 C ATOM 326 CE LYS A 147 42.999 -7.465 3.143 1.00 0.00 C ATOM 327 NZ LYS A 147 42.306 -8.761 2.901 1.00 0.00 N ATOM 0 H LYS A 147 47.192 -4.918 4.230 1.00 0.00 H new ATOM 0 HA LYS A 147 45.436 -4.515 6.503 1.00 0.00 H new ATOM 0 HB2 LYS A 147 46.602 -7.005 5.123 1.00 0.00 H new ATOM 0 HB3 LYS A 147 45.464 -7.100 6.452 1.00 0.00 H new ATOM 0 HG2 LYS A 147 43.836 -5.694 5.099 1.00 0.00 H new ATOM 0 HG3 LYS A 147 44.962 -5.737 3.757 1.00 0.00 H new ATOM 0 HD2 LYS A 147 44.877 -8.280 3.834 1.00 0.00 H new ATOM 0 HD3 LYS A 147 43.651 -8.167 5.080 1.00 0.00 H new ATOM 0 HE2 LYS A 147 42.280 -6.710 3.461 1.00 0.00 H new ATOM 0 HE3 LYS A 147 43.452 -7.105 2.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 147 41.576 -8.633 2.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 147 42.997 -9.469 2.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 147 41.861 -9.087 3.783 1.00 0.00 H new ATOM 341 N ASN A 148 48.484 -5.729 7.050 1.00 0.00 N ATOM 342 CA ASN A 148 49.333 -6.184 8.176 1.00 0.00 C ATOM 343 C ASN A 148 50.397 -5.167 8.644 1.00 0.00 C ATOM 344 O ASN A 148 50.897 -5.293 9.764 1.00 0.00 O ATOM 345 CB ASN A 148 50.047 -7.475 7.744 1.00 0.00 C ATOM 346 CG ASN A 148 50.821 -8.087 8.911 1.00 0.00 C ATOM 347 OD1 ASN A 148 50.234 -8.732 9.780 1.00 0.00 O ATOM 348 ND2 ASN A 148 52.115 -7.918 8.978 1.00 0.00 N ATOM 0 H ASN A 148 48.924 -5.745 6.130 1.00 0.00 H new ATOM 0 HA ASN A 148 48.665 -6.329 9.025 1.00 0.00 H new ATOM 0 HB2 ASN A 148 49.316 -8.192 7.371 1.00 0.00 H new ATOM 0 HB3 ASN A 148 50.730 -7.260 6.922 1.00 0.00 H new ATOM 0 HD21 ASN A 148 52.643 -8.321 9.752 1.00 0.00 H new ATOM 0 HD22 ASN A 148 52.598 -7.383 8.256 1.00 0.00 H new ATOM 355 N PRO A 149 50.756 -4.189 7.849 1.00 0.00 N ATOM 356 CA PRO A 149 51.769 -3.182 8.274 1.00 0.00 C ATOM 357 C PRO A 149 51.180 -1.802 8.550 1.00 0.00 C ATOM 358 O PRO A 149 50.224 -1.379 7.901 1.00 0.00 O ATOM 359 CB PRO A 149 52.734 -3.138 7.096 1.00 0.00 C ATOM 360 CG PRO A 149 51.915 -3.488 5.898 1.00 0.00 C ATOM 361 CD PRO A 149 50.620 -4.152 6.388 1.00 0.00 C ATOM 0 HA PRO A 149 52.235 -3.460 9.219 1.00 0.00 H new ATOM 0 HB2 PRO A 149 53.181 -2.149 6.991 1.00 0.00 H new ATOM 0 HB3 PRO A 149 53.553 -3.845 7.232 1.00 0.00 H new ATOM 0 HG2 PRO A 149 51.689 -2.594 5.316 1.00 0.00 H new ATOM 0 HG3 PRO A 149 52.466 -4.163 5.243 1.00 0.00 H new ATOM 0 HD2 PRO A 149 49.742 -3.581 6.085 1.00 0.00 H new ATOM 0 HD3 PRO A 149 50.507 -5.154 5.974 1.00 0.00 H new ATOM 369 N LYS A 150 51.814 -1.078 9.477 1.00 0.00 N ATOM 370 CA LYS A 150 51.441 0.314 9.760 1.00 0.00 C ATOM 371 C LYS A 150 51.551 1.188 8.499 1.00 0.00 C ATOM 372 O LYS A 150 50.946 2.255 8.425 1.00 0.00 O ATOM 373 CB LYS A 150 52.341 0.903 10.856 1.00 0.00 C ATOM 374 CG LYS A 150 52.376 -0.030 12.070 1.00 0.00 C ATOM 375 CD LYS A 150 53.065 0.677 13.240 1.00 0.00 C ATOM 376 CE LYS A 150 54.568 0.770 12.972 1.00 0.00 C ATOM 377 NZ LYS A 150 55.206 -0.547 13.255 1.00 0.00 N ATOM 0 H LYS A 150 52.586 -1.430 10.043 1.00 0.00 H new ATOM 0 HA LYS A 150 50.405 0.310 10.099 1.00 0.00 H new ATOM 0 HB2 LYS A 150 53.350 1.047 10.470 1.00 0.00 H new ATOM 0 HB3 LYS A 150 51.970 1.884 11.153 1.00 0.00 H new ATOM 0 HG2 LYS A 150 51.362 -0.316 12.351 1.00 0.00 H new ATOM 0 HG3 LYS A 150 52.909 -0.948 11.821 1.00 0.00 H new ATOM 0 HD2 LYS A 150 52.647 1.675 13.372 1.00 0.00 H new ATOM 0 HD3 LYS A 150 52.884 0.131 14.166 1.00 0.00 H new ATOM 0 HE2 LYS A 150 54.746 1.057 11.936 1.00 0.00 H new ATOM 0 HE3 LYS A 150 55.013 1.544 13.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 56.240 -0.439 13.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 54.894 -0.891 14.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 54.929 -1.231 12.522 1.00 0.00 H new ATOM 391 N THR A 151 52.300 0.711 7.496 1.00 0.00 N ATOM 392 CA THR A 151 52.487 1.452 6.242 1.00 0.00 C ATOM 393 C THR A 151 51.132 1.789 5.585 1.00 0.00 C ATOM 394 O THR A 151 51.001 2.773 4.842 1.00 0.00 O ATOM 395 CB THR A 151 53.336 0.601 5.282 1.00 0.00 C ATOM 396 OG1 THR A 151 52.638 -0.594 4.971 1.00 0.00 O ATOM 397 CG2 THR A 151 54.676 0.254 5.939 1.00 0.00 C ATOM 0 H THR A 151 52.786 -0.185 7.529 1.00 0.00 H new ATOM 0 HA THR A 151 52.995 2.391 6.461 1.00 0.00 H new ATOM 0 HB THR A 151 53.522 1.166 4.369 1.00 0.00 H new ATOM 0 HG1 THR A 151 53.183 -1.144 4.371 1.00 0.00 H new ATOM 0 HG21 THR A 151 55.272 -0.349 5.254 1.00 0.00 H new ATOM 0 HG22 THR A 151 55.213 1.172 6.176 1.00 0.00 H new ATOM 0 HG23 THR A 151 54.497 -0.309 6.855 1.00 0.00 H new ATOM 405 N SER A 152 50.096 1.034 5.953 1.00 0.00 N ATOM 406 CA SER A 152 48.771 1.215 5.363 1.00 0.00 C ATOM 407 C SER A 152 48.191 2.603 5.643 1.00 0.00 C ATOM 408 O SER A 152 47.282 3.050 4.934 1.00 0.00 O ATOM 409 CB SER A 152 47.831 0.163 5.932 1.00 0.00 C ATOM 410 OG SER A 152 48.062 0.033 7.328 1.00 0.00 O ATOM 0 H SER A 152 50.149 0.295 6.654 1.00 0.00 H new ATOM 0 HA SER A 152 48.873 1.112 4.283 1.00 0.00 H new ATOM 0 HB2 SER A 152 46.795 0.447 5.748 1.00 0.00 H new ATOM 0 HB3 SER A 152 47.993 -0.793 5.434 1.00 0.00 H new ATOM 0 HG SER A 152 48.690 -0.702 7.489 1.00 0.00 H new ATOM 416 N GLU A 153 48.748 3.315 6.625 1.00 0.00 N ATOM 417 CA GLU A 153 48.272 4.659 6.932 1.00 0.00 C ATOM 418 C GLU A 153 48.380 5.552 5.696 1.00 0.00 C ATOM 419 O GLU A 153 47.375 6.099 5.228 1.00 0.00 O ATOM 420 CB GLU A 153 49.094 5.254 8.077 1.00 0.00 C ATOM 421 CG GLU A 153 48.722 4.554 9.387 1.00 0.00 C ATOM 422 CD GLU A 153 49.304 5.311 10.581 1.00 0.00 C ATOM 423 OE1 GLU A 153 50.417 5.800 10.469 1.00 0.00 O ATOM 424 OE2 GLU A 153 48.626 5.388 11.592 1.00 0.00 O ATOM 0 H GLU A 153 49.516 2.988 7.211 1.00 0.00 H new ATOM 0 HA GLU A 153 47.227 4.601 7.235 1.00 0.00 H new ATOM 0 HB2 GLU A 153 50.159 5.133 7.876 1.00 0.00 H new ATOM 0 HB3 GLU A 153 48.905 6.324 8.157 1.00 0.00 H new ATOM 0 HG2 GLU A 153 47.638 4.495 9.480 1.00 0.00 H new ATOM 0 HG3 GLU A 153 49.098 3.531 9.379 1.00 0.00 H new ATOM 431 N MET A 154 49.551 5.530 5.055 1.00 0.00 N ATOM 432 CA MET A 154 49.796 6.432 3.937 1.00 0.00 C ATOM 433 C MET A 154 48.887 6.098 2.768 1.00 0.00 C ATOM 434 O MET A 154 48.589 6.967 1.947 1.00 0.00 O ATOM 435 CB MET A 154 51.238 6.353 3.451 1.00 0.00 C ATOM 436 CG MET A 154 52.184 6.809 4.557 1.00 0.00 C ATOM 437 SD MET A 154 53.857 6.993 3.883 1.00 0.00 S ATOM 438 CE MET A 154 54.063 5.297 3.280 1.00 0.00 C ATOM 0 H MET A 154 50.327 4.910 5.287 1.00 0.00 H new ATOM 0 HA MET A 154 49.593 7.439 4.301 1.00 0.00 H new ATOM 0 HB2 MET A 154 51.476 5.331 3.155 1.00 0.00 H new ATOM 0 HB3 MET A 154 51.368 6.979 2.568 1.00 0.00 H new ATOM 0 HG2 MET A 154 51.843 7.756 4.975 1.00 0.00 H new ATOM 0 HG3 MET A 154 52.186 6.084 5.371 1.00 0.00 H new ATOM 0 HE1 MET A 154 55.125 5.077 3.167 1.00 0.00 H new ATOM 0 HE2 MET A 154 53.622 4.601 3.994 1.00 0.00 H new ATOM 0 HE3 MET A 154 53.566 5.191 2.316 1.00 0.00 H new ATOM 448 N MET A 155 48.507 4.822 2.631 1.00 0.00 N ATOM 449 CA MET A 155 47.696 4.408 1.488 1.00 0.00 C ATOM 450 C MET A 155 46.291 5.011 1.554 1.00 0.00 C ATOM 451 O MET A 155 45.751 5.449 0.538 1.00 0.00 O ATOM 452 CB MET A 155 47.583 2.876 1.451 1.00 0.00 C ATOM 453 CG MET A 155 48.982 2.241 1.425 1.00 0.00 C ATOM 454 SD MET A 155 49.826 2.656 -0.125 1.00 0.00 S ATOM 455 CE MET A 155 51.510 2.281 0.427 1.00 0.00 C ATOM 0 H MET A 155 48.743 4.075 3.284 1.00 0.00 H new ATOM 0 HA MET A 155 48.188 4.768 0.585 1.00 0.00 H new ATOM 0 HB2 MET A 155 47.032 2.524 2.323 1.00 0.00 H new ATOM 0 HB3 MET A 155 47.019 2.567 0.571 1.00 0.00 H new ATOM 0 HG2 MET A 155 49.567 2.597 2.273 1.00 0.00 H new ATOM 0 HG3 MET A 155 48.901 1.159 1.525 1.00 0.00 H new ATOM 0 HE1 MET A 155 52.210 2.469 -0.387 1.00 0.00 H new ATOM 0 HE2 MET A 155 51.763 2.914 1.278 1.00 0.00 H new ATOM 0 HE3 MET A 155 51.571 1.234 0.723 1.00 0.00 H new ATOM 465 N LYS A 156 45.708 5.033 2.756 1.00 0.00 N ATOM 466 CA LYS A 156 44.281 5.317 2.894 1.00 0.00 C ATOM 467 C LYS A 156 43.986 6.819 2.969 1.00 0.00 C ATOM 468 O LYS A 156 42.846 7.237 2.761 1.00 0.00 O ATOM 469 CB LYS A 156 43.764 4.646 4.165 1.00 0.00 C ATOM 470 CG LYS A 156 43.803 3.126 3.994 1.00 0.00 C ATOM 471 CD LYS A 156 43.187 2.458 5.225 1.00 0.00 C ATOM 472 CE LYS A 156 43.336 0.940 5.110 1.00 0.00 C ATOM 473 NZ LYS A 156 43.053 0.311 6.432 1.00 0.00 N ATOM 0 H LYS A 156 46.196 4.860 3.635 1.00 0.00 H new ATOM 0 HA LYS A 156 43.780 4.927 2.008 1.00 0.00 H new ATOM 0 HB2 LYS A 156 44.374 4.942 5.019 1.00 0.00 H new ATOM 0 HB3 LYS A 156 42.745 4.973 4.372 1.00 0.00 H new ATOM 0 HG2 LYS A 156 43.255 2.836 3.097 1.00 0.00 H new ATOM 0 HG3 LYS A 156 44.832 2.791 3.861 1.00 0.00 H new ATOM 0 HD2 LYS A 156 43.679 2.815 6.130 1.00 0.00 H new ATOM 0 HD3 LYS A 156 42.134 2.725 5.308 1.00 0.00 H new ATOM 0 HE2 LYS A 156 42.650 0.553 4.357 1.00 0.00 H new ATOM 0 HE3 LYS A 156 44.344 0.687 4.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 156 43.154 -0.721 6.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 156 43.724 0.672 7.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 156 42.083 0.542 6.726 1.00 0.00 H new ATOM 487 N ASP A 157 45.010 7.626 3.266 1.00 0.00 N ATOM 488 CA ASP A 157 44.821 9.080 3.325 1.00 0.00 C ATOM 489 C ASP A 157 45.701 9.817 2.298 1.00 0.00 C ATOM 490 O ASP A 157 45.209 10.218 1.243 1.00 0.00 O ATOM 491 CB ASP A 157 45.095 9.586 4.751 1.00 0.00 C ATOM 492 CG ASP A 157 43.785 9.781 5.510 1.00 0.00 C ATOM 493 OD1 ASP A 157 42.983 8.861 5.515 1.00 0.00 O ATOM 494 OD2 ASP A 157 43.603 10.847 6.075 1.00 0.00 O ATOM 0 H ASP A 157 45.958 7.307 3.465 1.00 0.00 H new ATOM 0 HA ASP A 157 43.785 9.296 3.065 1.00 0.00 H new ATOM 0 HB2 ASP A 157 45.727 8.873 5.281 1.00 0.00 H new ATOM 0 HB3 ASP A 157 45.642 10.528 4.710 1.00 0.00 H new ATOM 499 N PRO A 158 46.972 9.996 2.571 1.00 0.00 N ATOM 500 CA PRO A 158 47.789 11.055 1.890 1.00 0.00 C ATOM 501 C PRO A 158 47.960 10.837 0.385 1.00 0.00 C ATOM 502 O PRO A 158 47.979 9.708 -0.103 1.00 0.00 O ATOM 503 CB PRO A 158 49.146 10.998 2.600 1.00 0.00 C ATOM 504 CG PRO A 158 49.220 9.633 3.184 1.00 0.00 C ATOM 505 CD PRO A 158 47.789 9.264 3.557 1.00 0.00 C ATOM 0 HA PRO A 158 47.294 12.023 1.963 1.00 0.00 H new ATOM 0 HB2 PRO A 158 49.964 11.173 1.901 1.00 0.00 H new ATOM 0 HB3 PRO A 158 49.219 11.762 3.374 1.00 0.00 H new ATOM 0 HG2 PRO A 158 49.633 8.923 2.468 1.00 0.00 H new ATOM 0 HG3 PRO A 158 49.869 9.617 4.059 1.00 0.00 H new ATOM 0 HD2 PRO A 158 47.623 8.188 3.495 1.00 0.00 H new ATOM 0 HD3 PRO A 158 47.551 9.565 4.577 1.00 0.00 H new ATOM 513 N GLN A 159 48.231 11.941 -0.317 1.00 0.00 N ATOM 514 CA GLN A 159 48.535 11.906 -1.752 1.00 0.00 C ATOM 515 C GLN A 159 49.775 11.049 -2.051 1.00 0.00 C ATOM 516 O GLN A 159 49.978 10.614 -3.190 1.00 0.00 O ATOM 517 CB GLN A 159 48.760 13.324 -2.277 1.00 0.00 C ATOM 518 CG GLN A 159 47.410 14.005 -2.522 1.00 0.00 C ATOM 519 CD GLN A 159 46.711 13.369 -3.719 1.00 0.00 C ATOM 520 OE1 GLN A 159 47.322 13.187 -4.772 1.00 0.00 O ATOM 521 NE2 GLN A 159 45.458 13.016 -3.620 1.00 0.00 N ATOM 0 H GLN A 159 48.246 12.877 0.088 1.00 0.00 H new ATOM 0 HA GLN A 159 47.680 11.455 -2.256 1.00 0.00 H new ATOM 0 HB2 GLN A 159 49.343 13.900 -1.558 1.00 0.00 H new ATOM 0 HB3 GLN A 159 49.335 13.292 -3.202 1.00 0.00 H new ATOM 0 HG2 GLN A 159 46.783 13.916 -1.635 1.00 0.00 H new ATOM 0 HG3 GLN A 159 47.558 15.070 -2.701 1.00 0.00 H new ATOM 0 HE21 GLN A 159 44.953 13.167 -2.747 1.00 0.00 H new ATOM 0 HE22 GLN A 159 44.984 12.589 -4.416 1.00 0.00 H new ATOM 530 N LEU A 160 50.577 10.771 -1.018 1.00 0.00 N ATOM 531 CA LEU A 160 51.883 10.145 -1.215 1.00 0.00 C ATOM 532 C LEU A 160 51.746 8.824 -1.984 1.00 0.00 C ATOM 533 O LEU A 160 52.693 8.382 -2.632 1.00 0.00 O ATOM 534 CB LEU A 160 52.542 9.877 0.142 1.00 0.00 C ATOM 535 CG LEU A 160 54.023 9.542 -0.061 1.00 0.00 C ATOM 536 CD1 LEU A 160 54.779 10.797 -0.507 1.00 0.00 C ATOM 537 CD2 LEU A 160 54.614 9.035 1.256 1.00 0.00 C ATOM 0 H LEU A 160 50.345 10.969 -0.045 1.00 0.00 H new ATOM 0 HA LEU A 160 52.503 10.826 -1.798 1.00 0.00 H new ATOM 0 HB2 LEU A 160 52.442 10.751 0.785 1.00 0.00 H new ATOM 0 HB3 LEU A 160 52.038 9.052 0.645 1.00 0.00 H new ATOM 0 HG LEU A 160 54.118 8.772 -0.826 1.00 0.00 H new ATOM 0 HD11 LEU A 160 55.832 10.556 -0.651 1.00 0.00 H new ATOM 0 HD12 LEU A 160 54.359 11.161 -1.445 1.00 0.00 H new ATOM 0 HD13 LEU A 160 54.685 11.569 0.256 1.00 0.00 H new ATOM 0 HD21 LEU A 160 55.668 8.796 1.114 1.00 0.00 H new ATOM 0 HD22 LEU A 160 54.517 9.807 2.019 1.00 0.00 H new ATOM 0 HD23 LEU A 160 54.079 8.140 1.574 1.00 0.00 H new ATOM 549 N VAL A 161 50.557 8.206 -1.924 1.00 0.00 N ATOM 550 CA VAL A 161 50.300 6.955 -2.647 1.00 0.00 C ATOM 551 C VAL A 161 50.553 7.136 -4.143 1.00 0.00 C ATOM 552 O VAL A 161 51.396 6.455 -4.725 1.00 0.00 O ATOM 553 CB VAL A 161 48.842 6.508 -2.450 1.00 0.00 C ATOM 554 CG1 VAL A 161 48.681 5.063 -2.932 1.00 0.00 C ATOM 555 CG2 VAL A 161 48.446 6.586 -0.971 1.00 0.00 C ATOM 0 H VAL A 161 49.763 8.551 -1.385 1.00 0.00 H new ATOM 0 HA VAL A 161 50.976 6.198 -2.248 1.00 0.00 H new ATOM 0 HB VAL A 161 48.197 7.172 -3.026 1.00 0.00 H new ATOM 0 HG11 VAL A 161 47.648 4.746 -2.792 1.00 0.00 H new ATOM 0 HG12 VAL A 161 48.940 5.001 -3.989 1.00 0.00 H new ATOM 0 HG13 VAL A 161 49.341 4.412 -2.358 1.00 0.00 H new ATOM 0 HG21 VAL A 161 47.411 6.265 -0.854 1.00 0.00 H new ATOM 0 HG22 VAL A 161 49.096 5.935 -0.386 1.00 0.00 H new ATOM 0 HG23 VAL A 161 48.550 7.613 -0.620 1.00 0.00 H new ATOM 565 N ALA A 162 49.871 8.114 -4.744 1.00 0.00 N ATOM 566 CA ALA A 162 49.957 8.324 -6.189 1.00 0.00 C ATOM 567 C ALA A 162 51.400 8.620 -6.583 1.00 0.00 C ATOM 568 O ALA A 162 51.987 7.930 -7.420 1.00 0.00 O ATOM 569 CB ALA A 162 49.074 9.508 -6.593 1.00 0.00 C ATOM 0 H ALA A 162 49.258 8.767 -4.256 1.00 0.00 H new ATOM 0 HA ALA A 162 49.617 7.423 -6.699 1.00 0.00 H new ATOM 0 HB1 ALA A 162 49.141 9.661 -7.670 1.00 0.00 H new ATOM 0 HB2 ALA A 162 48.039 9.300 -6.320 1.00 0.00 H new ATOM 0 HB3 ALA A 162 49.412 10.407 -6.077 1.00 0.00 H new ATOM 575 N LYS A 163 52.009 9.539 -5.831 1.00 0.00 N ATOM 576 CA LYS A 163 53.385 9.959 -6.107 1.00 0.00 C ATOM 577 C LYS A 163 54.317 8.746 -6.138 1.00 0.00 C ATOM 578 O LYS A 163 54.944 8.463 -7.159 1.00 0.00 O ATOM 579 CB LYS A 163 53.857 10.941 -5.031 1.00 0.00 C ATOM 580 CG LYS A 163 52.970 12.190 -5.043 1.00 0.00 C ATOM 581 CD LYS A 163 53.238 13.001 -6.314 1.00 0.00 C ATOM 582 CE LYS A 163 52.486 14.331 -6.240 1.00 0.00 C ATOM 583 NZ LYS A 163 53.103 15.192 -5.192 1.00 0.00 N ATOM 0 H LYS A 163 51.576 10.003 -5.033 1.00 0.00 H new ATOM 0 HA LYS A 163 53.410 10.449 -7.080 1.00 0.00 H new ATOM 0 HB2 LYS A 163 53.819 10.466 -4.051 1.00 0.00 H new ATOM 0 HB3 LYS A 163 54.895 11.220 -5.210 1.00 0.00 H new ATOM 0 HG2 LYS A 163 51.920 11.902 -4.998 1.00 0.00 H new ATOM 0 HG3 LYS A 163 53.171 12.799 -4.162 1.00 0.00 H new ATOM 0 HD2 LYS A 163 54.307 13.182 -6.424 1.00 0.00 H new ATOM 0 HD3 LYS A 163 52.918 12.439 -7.191 1.00 0.00 H new ATOM 0 HE2 LYS A 163 52.520 14.835 -7.206 1.00 0.00 H new ATOM 0 HE3 LYS A 163 51.435 14.155 -6.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 163 52.853 16.186 -5.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 163 52.750 14.907 -4.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 163 54.137 15.085 -5.219 1.00 0.00 H new ATOM 597 N LEU A 164 54.244 7.929 -5.086 1.00 0.00 N ATOM 598 CA LEU A 164 55.103 6.753 -4.963 1.00 0.00 C ATOM 599 C LEU A 164 54.886 5.774 -6.116 1.00 0.00 C ATOM 600 O LEU A 164 55.835 5.182 -6.610 1.00 0.00 O ATOM 601 CB LEU A 164 54.811 6.042 -3.640 1.00 0.00 C ATOM 602 CG LEU A 164 55.309 6.897 -2.471 1.00 0.00 C ATOM 603 CD1 LEU A 164 54.797 6.308 -1.155 1.00 0.00 C ATOM 604 CD2 LEU A 164 56.840 6.906 -2.458 1.00 0.00 C ATOM 0 H LEU A 164 53.598 8.061 -4.307 1.00 0.00 H new ATOM 0 HA LEU A 164 56.139 7.091 -4.992 1.00 0.00 H new ATOM 0 HB2 LEU A 164 53.740 5.863 -3.541 1.00 0.00 H new ATOM 0 HB3 LEU A 164 55.300 5.068 -3.624 1.00 0.00 H new ATOM 0 HG LEU A 164 54.939 7.916 -2.585 1.00 0.00 H new ATOM 0 HD11 LEU A 164 55.151 6.916 -0.322 1.00 0.00 H new ATOM 0 HD12 LEU A 164 53.707 6.299 -1.160 1.00 0.00 H new ATOM 0 HD13 LEU A 164 55.168 5.289 -1.044 1.00 0.00 H new ATOM 0 HD21 LEU A 164 57.193 7.515 -1.626 1.00 0.00 H new ATOM 0 HD22 LEU A 164 57.209 5.887 -2.344 1.00 0.00 H new ATOM 0 HD23 LEU A 164 57.209 7.323 -3.395 1.00 0.00 H new ATOM 616 N ILE A 165 53.638 5.639 -6.563 1.00 0.00 N ATOM 617 CA ILE A 165 53.296 4.619 -7.554 1.00 0.00 C ATOM 618 C ILE A 165 54.042 4.875 -8.867 1.00 0.00 C ATOM 619 O ILE A 165 54.558 3.939 -9.487 1.00 0.00 O ATOM 620 CB ILE A 165 51.768 4.576 -7.753 1.00 0.00 C ATOM 621 CG1 ILE A 165 51.151 3.928 -6.507 1.00 0.00 C ATOM 622 CG2 ILE A 165 51.397 3.738 -8.989 1.00 0.00 C ATOM 623 CD1 ILE A 165 49.631 4.079 -6.526 1.00 0.00 C ATOM 0 H ILE A 165 52.854 6.216 -6.259 1.00 0.00 H new ATOM 0 HA ILE A 165 53.612 3.640 -7.193 1.00 0.00 H new ATOM 0 HB ILE A 165 51.393 5.589 -7.902 1.00 0.00 H new ATOM 0 HG12 ILE A 165 51.417 2.872 -6.469 1.00 0.00 H new ATOM 0 HG13 ILE A 165 51.558 4.392 -5.609 1.00 0.00 H new ATOM 0 HG21 ILE A 165 50.313 3.724 -9.107 1.00 0.00 H new ATOM 0 HG22 ILE A 165 51.853 4.177 -9.876 1.00 0.00 H new ATOM 0 HG23 ILE A 165 51.762 2.719 -8.860 1.00 0.00 H new ATOM 0 HD11 ILE A 165 49.208 3.614 -5.635 1.00 0.00 H new ATOM 0 HD12 ILE A 165 49.371 5.137 -6.541 1.00 0.00 H new ATOM 0 HD13 ILE A 165 49.228 3.593 -7.415 1.00 0.00 H new ATOM 635 N GLY A 166 54.193 6.146 -9.232 1.00 0.00 N ATOM 636 CA GLY A 166 54.997 6.488 -10.401 1.00 0.00 C ATOM 637 C GLY A 166 56.468 6.262 -10.083 1.00 0.00 C ATOM 638 O GLY A 166 57.188 5.574 -10.812 1.00 0.00 O ATOM 0 H GLY A 166 53.778 6.941 -8.746 1.00 0.00 H new ATOM 0 HA2 GLY A 166 54.699 5.877 -11.253 1.00 0.00 H new ATOM 0 HA3 GLY A 166 54.829 7.528 -10.681 1.00 0.00 H new ATOM 642 N TYR A 167 56.892 6.838 -8.959 1.00 0.00 N ATOM 643 CA TYR A 167 58.248 6.655 -8.444 1.00 0.00 C ATOM 644 C TYR A 167 58.551 5.184 -8.124 1.00 0.00 C ATOM 645 O TYR A 167 59.704 4.818 -7.908 1.00 0.00 O ATOM 646 CB TYR A 167 58.404 7.537 -7.195 1.00 0.00 C ATOM 647 CG TYR A 167 59.775 7.572 -6.575 1.00 0.00 C ATOM 648 CD1 TYR A 167 60.840 8.215 -7.250 1.00 0.00 C ATOM 649 CD2 TYR A 167 59.978 7.026 -5.286 1.00 0.00 C ATOM 650 CE1 TYR A 167 62.113 8.298 -6.643 1.00 0.00 C ATOM 651 CE2 TYR A 167 61.252 7.106 -4.676 1.00 0.00 C ATOM 652 CZ TYR A 167 62.324 7.743 -5.357 1.00 0.00 C ATOM 653 OH TYR A 167 63.572 7.821 -4.771 1.00 0.00 O ATOM 0 H TYR A 167 56.308 7.443 -8.382 1.00 0.00 H new ATOM 0 HA TYR A 167 58.967 6.951 -9.208 1.00 0.00 H new ATOM 0 HB2 TYR A 167 58.120 8.556 -7.457 1.00 0.00 H new ATOM 0 HB3 TYR A 167 57.696 7.193 -6.441 1.00 0.00 H new ATOM 0 HD1 TYR A 167 60.680 8.642 -8.229 1.00 0.00 H new ATOM 0 HD2 TYR A 167 59.160 6.548 -4.767 1.00 0.00 H new ATOM 0 HE1 TYR A 167 62.926 8.785 -7.160 1.00 0.00 H new ATOM 0 HE2 TYR A 167 61.409 6.684 -3.695 1.00 0.00 H new ATOM 0 HH TYR A 167 63.828 8.762 -4.669 1.00 0.00 H new ATOM 663 N LYS A 168 57.505 4.365 -8.027 1.00 0.00 N ATOM 664 CA LYS A 168 57.674 2.925 -7.820 1.00 0.00 C ATOM 665 C LYS A 168 58.079 2.208 -9.111 1.00 0.00 C ATOM 666 O LYS A 168 59.011 1.402 -9.115 1.00 0.00 O ATOM 667 CB LYS A 168 56.361 2.338 -7.290 1.00 0.00 C ATOM 668 CG LYS A 168 56.339 2.428 -5.754 1.00 0.00 C ATOM 669 CD LYS A 168 54.941 2.084 -5.208 1.00 0.00 C ATOM 670 CE LYS A 168 54.441 0.756 -5.789 1.00 0.00 C ATOM 671 NZ LYS A 168 53.676 0.012 -4.751 1.00 0.00 N ATOM 0 H LYS A 168 56.534 4.671 -8.088 1.00 0.00 H new ATOM 0 HA LYS A 168 58.475 2.775 -7.097 1.00 0.00 H new ATOM 0 HB2 LYS A 168 55.513 2.880 -7.708 1.00 0.00 H new ATOM 0 HB3 LYS A 168 56.262 1.299 -7.605 1.00 0.00 H new ATOM 0 HG2 LYS A 168 57.077 1.744 -5.334 1.00 0.00 H new ATOM 0 HG3 LYS A 168 56.620 3.433 -5.440 1.00 0.00 H new ATOM 0 HD2 LYS A 168 54.976 2.020 -4.120 1.00 0.00 H new ATOM 0 HD3 LYS A 168 54.242 2.882 -5.458 1.00 0.00 H new ATOM 0 HE2 LYS A 168 53.809 0.943 -6.657 1.00 0.00 H new ATOM 0 HE3 LYS A 168 55.285 0.157 -6.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 168 54.142 -0.898 -4.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 168 53.643 0.573 -3.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 168 52.708 -0.159 -5.090 1.00 0.00 H new ATOM 685 N GLN A 169 57.376 2.511 -10.202 1.00 0.00 N ATOM 686 CA GLN A 169 57.489 1.705 -11.420 1.00 0.00 C ATOM 687 C GLN A 169 58.817 1.938 -12.154 1.00 0.00 C ATOM 688 O GLN A 169 59.511 0.984 -12.507 1.00 0.00 O ATOM 689 CB GLN A 169 56.329 2.033 -12.362 1.00 0.00 C ATOM 690 CG GLN A 169 55.012 1.579 -11.728 1.00 0.00 C ATOM 691 CD GLN A 169 53.839 1.947 -12.633 1.00 0.00 C ATOM 692 OE1 GLN A 169 53.868 2.982 -13.299 1.00 0.00 O ATOM 693 NE2 GLN A 169 52.803 1.156 -12.695 1.00 0.00 N ATOM 0 H GLN A 169 56.730 3.298 -10.269 1.00 0.00 H new ATOM 0 HA GLN A 169 57.455 0.658 -11.120 1.00 0.00 H new ATOM 0 HB2 GLN A 169 56.299 3.104 -12.560 1.00 0.00 H new ATOM 0 HB3 GLN A 169 56.474 1.536 -13.321 1.00 0.00 H new ATOM 0 HG2 GLN A 169 55.031 0.502 -11.564 1.00 0.00 H new ATOM 0 HG3 GLN A 169 54.889 2.048 -10.752 1.00 0.00 H new ATOM 0 HE21 GLN A 169 52.782 0.299 -12.142 1.00 0.00 H new ATOM 0 HE22 GLN A 169 52.014 1.395 -13.296 1.00 0.00 H new ATOM 702 N ASN A 170 59.163 3.208 -12.376 1.00 0.00 N ATOM 703 CA ASN A 170 60.268 3.541 -13.294 1.00 0.00 C ATOM 704 C ASN A 170 61.615 3.817 -12.589 1.00 0.00 C ATOM 705 O ASN A 170 62.659 3.393 -13.086 1.00 0.00 O ATOM 706 CB ASN A 170 59.883 4.770 -14.121 1.00 0.00 C ATOM 707 CG ASN A 170 60.771 4.866 -15.356 1.00 0.00 C ATOM 708 OD1 ASN A 170 61.071 3.852 -15.987 1.00 0.00 O ATOM 709 ND2 ASN A 170 61.212 6.032 -15.744 1.00 0.00 N ATOM 0 H ASN A 170 58.708 4.013 -11.945 1.00 0.00 H new ATOM 0 HA ASN A 170 60.418 2.662 -13.920 1.00 0.00 H new ATOM 0 HB2 ASN A 170 58.837 4.705 -14.419 1.00 0.00 H new ATOM 0 HB3 ASN A 170 59.987 5.672 -13.517 1.00 0.00 H new ATOM 0 HD21 ASN A 170 61.806 6.104 -16.570 1.00 0.00 H new ATOM 0 HD22 ASN A 170 60.963 6.871 -15.221 1.00 0.00 H new ATOM 716 N PRO A 171 61.624 4.492 -11.457 1.00 0.00 N ATOM 717 CA PRO A 171 62.878 5.076 -10.901 1.00 0.00 C ATOM 718 C PRO A 171 63.502 4.266 -9.764 1.00 0.00 C ATOM 719 O PRO A 171 63.137 4.422 -8.598 1.00 0.00 O ATOM 720 CB PRO A 171 62.464 6.461 -10.429 1.00 0.00 C ATOM 721 CG PRO A 171 61.023 6.351 -10.087 1.00 0.00 C ATOM 722 CD PRO A 171 60.466 5.094 -10.775 1.00 0.00 C ATOM 0 HA PRO A 171 63.662 5.088 -11.658 1.00 0.00 H new ATOM 0 HB2 PRO A 171 63.050 6.772 -9.564 1.00 0.00 H new ATOM 0 HB3 PRO A 171 62.626 7.206 -11.208 1.00 0.00 H new ATOM 0 HG2 PRO A 171 60.892 6.284 -9.007 1.00 0.00 H new ATOM 0 HG3 PRO A 171 60.484 7.238 -10.419 1.00 0.00 H new ATOM 0 HD2 PRO A 171 60.033 4.405 -10.050 1.00 0.00 H new ATOM 0 HD3 PRO A 171 59.678 5.348 -11.484 1.00 0.00 H new ATOM 730 N GLN A 172 64.493 3.436 -10.105 1.00 0.00 N ATOM 731 CA GLN A 172 65.291 2.705 -9.097 1.00 0.00 C ATOM 732 C GLN A 172 65.772 3.609 -7.933 1.00 0.00 C ATOM 733 O GLN A 172 66.171 3.110 -6.877 1.00 0.00 O ATOM 734 CB GLN A 172 66.509 2.061 -9.766 1.00 0.00 C ATOM 735 CG GLN A 172 66.048 1.067 -10.835 1.00 0.00 C ATOM 736 CD GLN A 172 65.409 -0.153 -10.178 1.00 0.00 C ATOM 737 OE1 GLN A 172 65.912 -0.651 -9.171 1.00 0.00 O ATOM 738 NE2 GLN A 172 64.325 -0.665 -10.691 1.00 0.00 N ATOM 0 H GLN A 172 64.767 3.249 -11.070 1.00 0.00 H new ATOM 0 HA GLN A 172 64.636 1.945 -8.672 1.00 0.00 H new ATOM 0 HB2 GLN A 172 67.136 2.830 -10.217 1.00 0.00 H new ATOM 0 HB3 GLN A 172 67.118 1.550 -9.020 1.00 0.00 H new ATOM 0 HG2 GLN A 172 65.332 1.546 -11.503 1.00 0.00 H new ATOM 0 HG3 GLN A 172 66.897 0.758 -11.445 1.00 0.00 H new ATOM 0 HE21 GLN A 172 63.910 -0.250 -11.526 1.00 0.00 H new ATOM 0 HE22 GLN A 172 63.892 -1.480 -10.258 1.00 0.00 H new ATOM 747 N ALA A 173 65.659 4.933 -8.102 1.00 0.00 N ATOM 748 CA ALA A 173 66.175 5.889 -7.126 1.00 0.00 C ATOM 749 C ALA A 173 65.523 5.721 -5.739 1.00 0.00 C ATOM 750 O ALA A 173 65.996 6.309 -4.766 1.00 0.00 O ATOM 751 CB ALA A 173 65.899 7.304 -7.627 1.00 0.00 C ATOM 0 H ALA A 173 65.212 5.363 -8.911 1.00 0.00 H new ATOM 0 HA ALA A 173 67.244 5.706 -7.018 1.00 0.00 H new ATOM 0 HB1 ALA A 173 66.280 8.026 -6.905 1.00 0.00 H new ATOM 0 HB2 ALA A 173 66.394 7.453 -8.586 1.00 0.00 H new ATOM 0 HB3 ALA A 173 64.825 7.444 -7.748 1.00 0.00 H new ATOM 757 N ILE A 174 64.474 4.883 -5.631 1.00 0.00 N ATOM 758 CA ILE A 174 63.716 4.776 -4.376 1.00 0.00 C ATOM 759 C ILE A 174 64.633 4.370 -3.219 1.00 0.00 C ATOM 760 O ILE A 174 64.400 4.756 -2.073 1.00 0.00 O ATOM 761 CB ILE A 174 62.589 3.739 -4.505 1.00 0.00 C ATOM 762 CG1 ILE A 174 61.765 4.022 -5.789 1.00 0.00 C ATOM 763 CG2 ILE A 174 61.693 3.813 -3.256 1.00 0.00 C ATOM 764 CD1 ILE A 174 60.482 3.180 -5.845 1.00 0.00 C ATOM 0 H ILE A 174 64.139 4.282 -6.384 1.00 0.00 H new ATOM 0 HA ILE A 174 63.285 5.756 -4.170 1.00 0.00 H new ATOM 0 HB ILE A 174 63.010 2.736 -4.580 1.00 0.00 H new ATOM 0 HG12 ILE A 174 61.506 5.080 -5.828 1.00 0.00 H new ATOM 0 HG13 ILE A 174 62.376 3.811 -6.666 1.00 0.00 H new ATOM 0 HG21 ILE A 174 60.891 3.080 -3.340 1.00 0.00 H new ATOM 0 HG22 ILE A 174 62.288 3.600 -2.368 1.00 0.00 H new ATOM 0 HG23 ILE A 174 61.265 4.812 -3.174 1.00 0.00 H new ATOM 0 HD11 ILE A 174 59.936 3.410 -6.760 1.00 0.00 H new ATOM 0 HD12 ILE A 174 60.741 2.121 -5.833 1.00 0.00 H new ATOM 0 HD13 ILE A 174 59.857 3.411 -4.982 1.00 0.00 H new ATOM 776 N GLY A 175 65.688 3.612 -3.532 1.00 0.00 N ATOM 777 CA GLY A 175 66.576 3.071 -2.502 1.00 0.00 C ATOM 778 C GLY A 175 67.148 4.183 -1.612 1.00 0.00 C ATOM 779 O GLY A 175 67.456 3.952 -0.442 1.00 0.00 O ATOM 0 H GLY A 175 65.946 3.361 -4.486 1.00 0.00 H new ATOM 0 HA2 GLY A 175 66.029 2.357 -1.887 1.00 0.00 H new ATOM 0 HA3 GLY A 175 67.393 2.525 -2.974 1.00 0.00 H new ATOM 783 N GLN A 176 67.285 5.384 -2.179 1.00 0.00 N ATOM 784 CA GLN A 176 67.829 6.518 -1.440 1.00 0.00 C ATOM 785 C GLN A 176 66.732 7.261 -0.680 1.00 0.00 C ATOM 786 O GLN A 176 66.979 7.821 0.390 1.00 0.00 O ATOM 787 CB GLN A 176 68.516 7.484 -2.408 1.00 0.00 C ATOM 788 CG GLN A 176 69.697 6.781 -3.080 1.00 0.00 C ATOM 789 CD GLN A 176 70.439 7.756 -3.988 1.00 0.00 C ATOM 790 OE1 GLN A 176 70.561 8.937 -3.665 1.00 0.00 O ATOM 791 NE2 GLN A 176 70.945 7.329 -5.112 1.00 0.00 N ATOM 0 H GLN A 176 67.027 5.593 -3.144 1.00 0.00 H new ATOM 0 HA GLN A 176 68.551 6.135 -0.719 1.00 0.00 H new ATOM 0 HB2 GLN A 176 67.806 7.826 -3.161 1.00 0.00 H new ATOM 0 HB3 GLN A 176 68.862 8.367 -1.872 1.00 0.00 H new ATOM 0 HG2 GLN A 176 70.376 6.389 -2.323 1.00 0.00 H new ATOM 0 HG3 GLN A 176 69.341 5.930 -3.661 1.00 0.00 H new ATOM 0 HE21 GLN A 176 70.843 6.350 -5.378 1.00 0.00 H new ATOM 0 HE22 GLN A 176 71.443 7.975 -5.725 1.00 0.00 H new ATOM 800 N ASP A 177 65.521 7.257 -1.239 1.00 0.00 N ATOM 801 CA ASP A 177 64.434 8.041 -0.673 1.00 0.00 C ATOM 802 C ASP A 177 63.880 7.390 0.591 1.00 0.00 C ATOM 803 O ASP A 177 63.224 8.064 1.386 1.00 0.00 O ATOM 804 CB ASP A 177 63.308 8.257 -1.698 1.00 0.00 C ATOM 805 CG ASP A 177 63.539 9.540 -2.510 1.00 0.00 C ATOM 806 OD1 ASP A 177 64.422 10.307 -2.158 1.00 0.00 O ATOM 807 OD2 ASP A 177 62.803 9.752 -3.460 1.00 0.00 O ATOM 0 H ASP A 177 65.274 6.725 -2.073 1.00 0.00 H new ATOM 0 HA ASP A 177 64.845 9.014 -0.405 1.00 0.00 H new ATOM 0 HB2 ASP A 177 63.256 7.401 -2.371 1.00 0.00 H new ATOM 0 HB3 ASP A 177 62.349 8.317 -1.183 1.00 0.00 H new ATOM 812 N LEU A 178 64.125 6.086 0.784 1.00 0.00 N ATOM 813 CA LEU A 178 63.710 5.426 2.029 1.00 0.00 C ATOM 814 C LEU A 178 64.290 6.182 3.237 1.00 0.00 C ATOM 815 O LEU A 178 63.586 6.485 4.199 1.00 0.00 O ATOM 816 CB LEU A 178 64.207 3.970 2.084 1.00 0.00 C ATOM 817 CG LEU A 178 63.901 3.184 0.798 1.00 0.00 C ATOM 818 CD1 LEU A 178 64.648 1.852 0.861 1.00 0.00 C ATOM 819 CD2 LEU A 178 62.402 2.889 0.690 1.00 0.00 C ATOM 0 H LEU A 178 64.597 5.480 0.112 1.00 0.00 H new ATOM 0 HA LEU A 178 62.620 5.432 2.059 1.00 0.00 H new ATOM 0 HB2 LEU A 178 65.283 3.965 2.259 1.00 0.00 H new ATOM 0 HB3 LEU A 178 63.743 3.465 2.931 1.00 0.00 H new ATOM 0 HG LEU A 178 64.212 3.775 -0.064 1.00 0.00 H new ATOM 0 HD11 LEU A 178 64.445 1.278 -0.043 1.00 0.00 H new ATOM 0 HD12 LEU A 178 65.719 2.039 0.939 1.00 0.00 H new ATOM 0 HD13 LEU A 178 64.314 1.288 1.732 1.00 0.00 H new ATOM 0 HD21 LEU A 178 62.206 2.332 -0.226 1.00 0.00 H new ATOM 0 HD22 LEU A 178 62.085 2.298 1.549 1.00 0.00 H new ATOM 0 HD23 LEU A 178 61.847 3.827 0.671 1.00 0.00 H new ATOM 831 N PHE A 179 65.590 6.471 3.157 1.00 0.00 N ATOM 832 CA PHE A 179 66.289 7.241 4.190 1.00 0.00 C ATOM 833 C PHE A 179 65.544 8.539 4.534 1.00 0.00 C ATOM 834 O PHE A 179 65.543 8.976 5.686 1.00 0.00 O ATOM 835 CB PHE A 179 67.699 7.575 3.706 1.00 0.00 C ATOM 836 CG PHE A 179 68.609 6.372 3.626 1.00 0.00 C ATOM 837 CD1 PHE A 179 69.285 5.917 4.785 1.00 0.00 C ATOM 838 CD2 PHE A 179 68.786 5.698 2.394 1.00 0.00 C ATOM 839 CE1 PHE A 179 70.139 4.790 4.711 1.00 0.00 C ATOM 840 CE2 PHE A 179 69.640 4.569 2.320 1.00 0.00 C ATOM 841 CZ PHE A 179 70.317 4.116 3.478 1.00 0.00 C ATOM 0 H PHE A 179 66.185 6.181 2.381 1.00 0.00 H new ATOM 0 HA PHE A 179 66.333 6.631 5.093 1.00 0.00 H new ATOM 0 HB2 PHE A 179 67.636 8.039 2.722 1.00 0.00 H new ATOM 0 HB3 PHE A 179 68.141 8.311 4.378 1.00 0.00 H new ATOM 0 HD1 PHE A 179 69.149 6.430 5.726 1.00 0.00 H new ATOM 0 HD2 PHE A 179 68.270 6.044 1.510 1.00 0.00 H new ATOM 0 HE1 PHE A 179 70.655 4.444 5.595 1.00 0.00 H new ATOM 0 HE2 PHE A 179 69.774 4.054 1.380 1.00 0.00 H new ATOM 0 HZ PHE A 179 70.969 3.257 3.421 1.00 0.00 H new ATOM 851 N THR A 180 64.915 9.141 3.527 1.00 0.00 N ATOM 852 CA THR A 180 64.150 10.378 3.733 1.00 0.00 C ATOM 853 C THR A 180 62.684 10.072 4.081 1.00 0.00 C ATOM 854 O THR A 180 62.009 10.882 4.717 1.00 0.00 O ATOM 855 CB THR A 180 64.207 11.259 2.476 1.00 0.00 C ATOM 856 OG1 THR A 180 63.423 10.671 1.447 1.00 0.00 O ATOM 857 CG2 THR A 180 65.657 11.401 1.999 1.00 0.00 C ATOM 0 H THR A 180 64.917 8.799 2.566 1.00 0.00 H new ATOM 0 HA THR A 180 64.602 10.912 4.569 1.00 0.00 H new ATOM 0 HB THR A 180 63.813 12.247 2.715 1.00 0.00 H new ATOM 0 HG1 THR A 180 63.634 9.716 1.380 1.00 0.00 H new ATOM 0 HG21 THR A 180 65.687 12.027 1.107 1.00 0.00 H new ATOM 0 HG22 THR A 180 66.255 11.861 2.786 1.00 0.00 H new ATOM 0 HG23 THR A 180 66.061 10.416 1.764 1.00 0.00 H new ATOM 865 N ASP A 181 62.209 8.898 3.659 1.00 0.00 N ATOM 866 CA ASP A 181 60.817 8.510 3.879 1.00 0.00 C ATOM 867 C ASP A 181 60.722 7.409 4.943 1.00 0.00 C ATOM 868 O ASP A 181 61.109 6.268 4.684 1.00 0.00 O ATOM 869 CB ASP A 181 60.201 8.010 2.570 1.00 0.00 C ATOM 870 CG ASP A 181 58.690 8.264 2.546 1.00 0.00 C ATOM 871 OD1 ASP A 181 58.142 8.628 3.576 1.00 0.00 O ATOM 872 OD2 ASP A 181 58.102 8.092 1.492 1.00 0.00 O ATOM 0 H ASP A 181 62.767 8.202 3.164 1.00 0.00 H new ATOM 0 HA ASP A 181 60.269 9.385 4.229 1.00 0.00 H new ATOM 0 HB2 ASP A 181 60.672 8.514 1.726 1.00 0.00 H new ATOM 0 HB3 ASP A 181 60.397 6.944 2.455 1.00 0.00 H new ATOM 877 N PRO A 182 60.178 7.705 6.108 1.00 0.00 N ATOM 878 CA PRO A 182 60.198 6.737 7.248 1.00 0.00 C ATOM 879 C PRO A 182 59.384 5.476 6.958 1.00 0.00 C ATOM 880 O PRO A 182 59.902 4.362 7.056 1.00 0.00 O ATOM 881 CB PRO A 182 59.598 7.519 8.421 1.00 0.00 C ATOM 882 CG PRO A 182 58.779 8.597 7.800 1.00 0.00 C ATOM 883 CD PRO A 182 59.454 8.941 6.475 1.00 0.00 C ATOM 0 HA PRO A 182 61.208 6.379 7.449 1.00 0.00 H new ATOM 0 HB2 PRO A 182 58.986 6.874 9.051 1.00 0.00 H new ATOM 0 HB3 PRO A 182 60.380 7.936 9.056 1.00 0.00 H new ATOM 0 HG2 PRO A 182 57.754 8.262 7.639 1.00 0.00 H new ATOM 0 HG3 PRO A 182 58.730 9.471 8.450 1.00 0.00 H new ATOM 0 HD2 PRO A 182 58.723 9.216 5.715 1.00 0.00 H new ATOM 0 HD3 PRO A 182 60.135 9.785 6.582 1.00 0.00 H new ATOM 891 N ARG A 183 58.113 5.656 6.599 1.00 0.00 N ATOM 892 CA ARG A 183 57.200 4.519 6.447 1.00 0.00 C ATOM 893 C ARG A 183 57.622 3.600 5.303 1.00 0.00 C ATOM 894 O ARG A 183 57.498 2.382 5.420 1.00 0.00 O ATOM 895 CB ARG A 183 55.766 4.997 6.210 1.00 0.00 C ATOM 896 CG ARG A 183 55.323 5.881 7.379 1.00 0.00 C ATOM 897 CD ARG A 183 53.834 6.196 7.239 1.00 0.00 C ATOM 898 NE ARG A 183 53.236 6.463 8.548 1.00 0.00 N ATOM 899 CZ ARG A 183 53.476 7.589 9.234 1.00 0.00 C ATOM 900 NH1 ARG A 183 54.290 8.510 8.777 1.00 0.00 N ATOM 901 NH2 ARG A 183 52.880 7.772 10.380 1.00 0.00 N ATOM 0 H ARG A 183 57.694 6.566 6.409 1.00 0.00 H new ATOM 0 HA ARG A 183 57.244 3.954 7.378 1.00 0.00 H new ATOM 0 HB2 ARG A 183 55.707 5.555 5.275 1.00 0.00 H new ATOM 0 HB3 ARG A 183 55.097 4.142 6.113 1.00 0.00 H new ATOM 0 HG2 ARG A 183 55.512 5.374 8.325 1.00 0.00 H new ATOM 0 HG3 ARG A 183 55.902 6.804 7.391 1.00 0.00 H new ATOM 0 HD2 ARG A 183 53.700 7.061 6.589 1.00 0.00 H new ATOM 0 HD3 ARG A 183 53.323 5.358 6.764 1.00 0.00 H new ATOM 0 HE ARG A 183 52.613 5.765 8.954 1.00 0.00 H new ATOM 0 HH11 ARG A 183 54.757 8.378 7.880 1.00 0.00 H new ATOM 0 HH12 ARG A 183 54.456 9.358 9.319 1.00 0.00 H new ATOM 0 HH21 ARG A 183 52.242 7.063 10.742 1.00 0.00 H new ATOM 0 HH22 ARG A 183 53.052 8.624 10.914 1.00 0.00 H new ATOM 915 N LEU A 184 58.173 4.170 4.220 1.00 0.00 N ATOM 916 CA LEU A 184 58.605 3.358 3.066 1.00 0.00 C ATOM 917 C LEU A 184 59.497 2.201 3.525 1.00 0.00 C ATOM 918 O LEU A 184 59.420 1.089 2.997 1.00 0.00 O ATOM 919 CB LEU A 184 59.378 4.221 2.053 1.00 0.00 C ATOM 920 CG LEU A 184 58.413 4.859 1.042 1.00 0.00 C ATOM 921 CD1 LEU A 184 59.182 5.840 0.150 1.00 0.00 C ATOM 922 CD2 LEU A 184 57.788 3.771 0.160 1.00 0.00 C ATOM 0 H LEU A 184 58.329 5.173 4.117 1.00 0.00 H new ATOM 0 HA LEU A 184 57.711 2.957 2.588 1.00 0.00 H new ATOM 0 HB2 LEU A 184 59.931 5.000 2.578 1.00 0.00 H new ATOM 0 HB3 LEU A 184 60.111 3.608 1.528 1.00 0.00 H new ATOM 0 HG LEU A 184 57.628 5.386 1.584 1.00 0.00 H new ATOM 0 HD11 LEU A 184 58.498 6.293 -0.567 1.00 0.00 H new ATOM 0 HD12 LEU A 184 59.629 6.620 0.767 1.00 0.00 H new ATOM 0 HD13 LEU A 184 59.967 5.306 -0.385 1.00 0.00 H new ATOM 0 HD21 LEU A 184 57.105 4.230 -0.555 1.00 0.00 H new ATOM 0 HD22 LEU A 184 58.575 3.242 -0.378 1.00 0.00 H new ATOM 0 HD23 LEU A 184 57.240 3.066 0.785 1.00 0.00 H new ATOM 934 N MET A 185 60.304 2.459 4.553 1.00 0.00 N ATOM 935 CA MET A 185 61.173 1.426 5.098 1.00 0.00 C ATOM 936 C MET A 185 60.356 0.320 5.773 1.00 0.00 C ATOM 937 O MET A 185 60.588 -0.857 5.526 1.00 0.00 O ATOM 938 CB MET A 185 62.157 2.038 6.091 1.00 0.00 C ATOM 939 CG MET A 185 63.184 2.874 5.330 1.00 0.00 C ATOM 940 SD MET A 185 64.492 3.405 6.461 1.00 0.00 S ATOM 941 CE MET A 185 65.834 3.457 5.246 1.00 0.00 C ATOM 0 H MET A 185 60.372 3.364 5.018 1.00 0.00 H new ATOM 0 HA MET A 185 61.731 0.980 4.275 1.00 0.00 H new ATOM 0 HB2 MET A 185 61.626 2.660 6.811 1.00 0.00 H new ATOM 0 HB3 MET A 185 62.657 1.252 6.657 1.00 0.00 H new ATOM 0 HG2 MET A 185 63.610 2.291 4.514 1.00 0.00 H new ATOM 0 HG3 MET A 185 62.701 3.743 4.883 1.00 0.00 H new ATOM 0 HE1 MET A 185 66.778 3.219 5.736 1.00 0.00 H new ATOM 0 HE2 MET A 185 65.640 2.729 4.458 1.00 0.00 H new ATOM 0 HE3 MET A 185 65.893 4.455 4.811 1.00 0.00 H new ATOM 951 N THR A 186 59.312 0.701 6.515 1.00 0.00 N ATOM 952 CA THR A 186 58.478 -0.284 7.221 1.00 0.00 C ATOM 953 C THR A 186 57.837 -1.255 6.220 1.00 0.00 C ATOM 954 O THR A 186 57.719 -2.454 6.484 1.00 0.00 O ATOM 955 CB THR A 186 57.385 0.440 8.022 1.00 0.00 C ATOM 956 OG1 THR A 186 57.986 1.437 8.837 1.00 0.00 O ATOM 957 CG2 THR A 186 56.630 -0.556 8.908 1.00 0.00 C ATOM 0 H THR A 186 59.024 1.671 6.644 1.00 0.00 H new ATOM 0 HA THR A 186 59.108 -0.853 7.905 1.00 0.00 H new ATOM 0 HB THR A 186 56.681 0.901 7.330 1.00 0.00 H new ATOM 0 HG1 THR A 186 57.292 1.903 9.349 1.00 0.00 H new ATOM 0 HG21 THR A 186 55.858 -0.030 9.470 1.00 0.00 H new ATOM 0 HG22 THR A 186 56.167 -1.320 8.284 1.00 0.00 H new ATOM 0 HG23 THR A 186 57.327 -1.027 9.601 1.00 0.00 H new ATOM 965 N ILE A 187 57.459 -0.722 5.056 1.00 0.00 N ATOM 966 CA ILE A 187 56.980 -1.553 3.943 1.00 0.00 C ATOM 967 C ILE A 187 58.029 -2.615 3.592 1.00 0.00 C ATOM 968 O ILE A 187 57.716 -3.796 3.436 1.00 0.00 O ATOM 969 CB ILE A 187 56.721 -0.668 2.707 1.00 0.00 C ATOM 970 CG1 ILE A 187 55.659 0.392 3.033 1.00 0.00 C ATOM 971 CG2 ILE A 187 56.239 -1.536 1.541 1.00 0.00 C ATOM 972 CD1 ILE A 187 55.520 1.373 1.862 1.00 0.00 C ATOM 0 H ILE A 187 57.474 0.278 4.857 1.00 0.00 H new ATOM 0 HA ILE A 187 56.054 -2.044 4.243 1.00 0.00 H new ATOM 0 HB ILE A 187 57.649 -0.169 2.428 1.00 0.00 H new ATOM 0 HG12 ILE A 187 54.701 -0.090 3.230 1.00 0.00 H new ATOM 0 HG13 ILE A 187 55.937 0.931 3.939 1.00 0.00 H new ATOM 0 HG21 ILE A 187 56.057 -0.907 0.670 1.00 0.00 H new ATOM 0 HG22 ILE A 187 57.001 -2.278 1.300 1.00 0.00 H new ATOM 0 HG23 ILE A 187 55.316 -2.042 1.822 1.00 0.00 H new ATOM 0 HD11 ILE A 187 54.765 2.121 2.102 1.00 0.00 H new ATOM 0 HD12 ILE A 187 56.476 1.866 1.685 1.00 0.00 H new ATOM 0 HD13 ILE A 187 55.221 0.830 0.966 1.00 0.00 H new ATOM 984 N MET A 188 59.277 -2.172 3.513 1.00 0.00 N ATOM 985 CA MET A 188 60.384 -3.054 3.156 1.00 0.00 C ATOM 986 C MET A 188 60.507 -4.204 4.154 1.00 0.00 C ATOM 987 O MET A 188 60.728 -5.349 3.772 1.00 0.00 O ATOM 988 CB MET A 188 61.687 -2.263 3.140 1.00 0.00 C ATOM 989 CG MET A 188 61.562 -1.055 2.190 1.00 0.00 C ATOM 990 SD MET A 188 62.695 -1.229 0.789 1.00 0.00 S ATOM 991 CE MET A 188 61.534 -2.009 -0.361 1.00 0.00 C ATOM 0 H MET A 188 59.550 -1.206 3.691 1.00 0.00 H new ATOM 0 HA MET A 188 60.187 -3.467 2.167 1.00 0.00 H new ATOM 0 HB2 MET A 188 61.926 -1.920 4.147 1.00 0.00 H new ATOM 0 HB3 MET A 188 62.507 -2.905 2.819 1.00 0.00 H new ATOM 0 HG2 MET A 188 60.537 -0.974 1.828 1.00 0.00 H new ATOM 0 HG3 MET A 188 61.783 -0.135 2.731 1.00 0.00 H new ATOM 0 HE1 MET A 188 61.634 -1.552 -1.345 1.00 0.00 H new ATOM 0 HE2 MET A 188 61.753 -3.074 -0.432 1.00 0.00 H new ATOM 0 HE3 MET A 188 60.515 -1.871 0.001 1.00 0.00 H new ATOM 1001 N ALA A 189 60.360 -3.878 5.436 1.00 0.00 N ATOM 1002 CA ALA A 189 60.432 -4.877 6.513 1.00 0.00 C ATOM 1003 C ALA A 189 59.455 -6.040 6.296 1.00 0.00 C ATOM 1004 O ALA A 189 59.866 -7.197 6.246 1.00 0.00 O ATOM 1005 CB ALA A 189 60.127 -4.209 7.855 1.00 0.00 C ATOM 0 H ALA A 189 60.189 -2.926 5.761 1.00 0.00 H new ATOM 0 HA ALA A 189 61.442 -5.286 6.509 1.00 0.00 H new ATOM 0 HB1 ALA A 189 60.181 -4.951 8.651 1.00 0.00 H new ATOM 0 HB2 ALA A 189 60.856 -3.421 8.043 1.00 0.00 H new ATOM 0 HB3 ALA A 189 59.126 -3.778 7.828 1.00 0.00 H new ATOM 1011 N THR A 190 58.165 -5.728 6.126 1.00 0.00 N ATOM 1012 CA THR A 190 57.145 -6.772 5.907 1.00 0.00 C ATOM 1013 C THR A 190 57.527 -7.670 4.721 1.00 0.00 C ATOM 1014 O THR A 190 57.466 -8.897 4.808 1.00 0.00 O ATOM 1015 CB THR A 190 55.777 -6.125 5.620 1.00 0.00 C ATOM 1016 OG1 THR A 190 55.968 -4.870 4.981 1.00 0.00 O ATOM 1017 CG2 THR A 190 54.990 -5.925 6.918 1.00 0.00 C ATOM 0 H THR A 190 57.801 -4.775 6.135 1.00 0.00 H new ATOM 0 HA THR A 190 57.087 -7.378 6.811 1.00 0.00 H new ATOM 0 HB THR A 190 55.209 -6.788 4.967 1.00 0.00 H new ATOM 0 HG1 THR A 190 56.643 -4.961 4.276 1.00 0.00 H new ATOM 0 HG21 THR A 190 54.027 -5.467 6.693 1.00 0.00 H new ATOM 0 HG22 THR A 190 54.829 -6.890 7.398 1.00 0.00 H new ATOM 0 HG23 THR A 190 55.553 -5.275 7.588 1.00 0.00 H new ATOM 1025 N LEU A 191 57.918 -7.034 3.621 1.00 0.00 N ATOM 1026 CA LEU A 191 58.299 -7.758 2.403 1.00 0.00 C ATOM 1027 C LEU A 191 59.492 -8.689 2.649 1.00 0.00 C ATOM 1028 O LEU A 191 59.419 -9.890 2.385 1.00 0.00 O ATOM 1029 CB LEU A 191 58.669 -6.748 1.318 1.00 0.00 C ATOM 1030 CG LEU A 191 57.404 -6.040 0.822 1.00 0.00 C ATOM 1031 CD1 LEU A 191 57.759 -4.621 0.367 1.00 0.00 C ATOM 1032 CD2 LEU A 191 56.812 -6.825 -0.354 1.00 0.00 C ATOM 0 H LEU A 191 57.981 -6.019 3.543 1.00 0.00 H new ATOM 0 HA LEU A 191 57.451 -8.368 2.091 1.00 0.00 H new ATOM 0 HB2 LEU A 191 59.376 -6.018 1.712 1.00 0.00 H new ATOM 0 HB3 LEU A 191 59.163 -7.254 0.489 1.00 0.00 H new ATOM 0 HG LEU A 191 56.673 -5.988 1.629 1.00 0.00 H new ATOM 0 HD11 LEU A 191 56.860 -4.116 0.014 1.00 0.00 H new ATOM 0 HD12 LEU A 191 58.182 -4.066 1.204 1.00 0.00 H new ATOM 0 HD13 LEU A 191 58.489 -4.670 -0.441 1.00 0.00 H new ATOM 0 HD21 LEU A 191 55.912 -6.324 -0.709 1.00 0.00 H new ATOM 0 HD22 LEU A 191 57.542 -6.876 -1.162 1.00 0.00 H new ATOM 0 HD23 LEU A 191 56.561 -7.834 -0.028 1.00 0.00 H new ATOM 1044 N MET A 192 60.580 -8.120 3.155 1.00 0.00 N ATOM 1045 CA MET A 192 61.821 -8.863 3.359 1.00 0.00 C ATOM 1046 C MET A 192 61.726 -9.844 4.528 1.00 0.00 C ATOM 1047 O MET A 192 62.448 -10.843 4.565 1.00 0.00 O ATOM 1048 CB MET A 192 62.955 -7.884 3.626 1.00 0.00 C ATOM 1049 CG MET A 192 63.335 -7.181 2.320 1.00 0.00 C ATOM 1050 SD MET A 192 64.444 -8.243 1.359 1.00 0.00 S ATOM 1051 CE MET A 192 65.853 -8.187 2.495 1.00 0.00 C ATOM 0 H MET A 192 60.629 -7.140 3.434 1.00 0.00 H new ATOM 0 HA MET A 192 62.009 -9.440 2.454 1.00 0.00 H new ATOM 0 HB2 MET A 192 62.649 -7.150 4.372 1.00 0.00 H new ATOM 0 HB3 MET A 192 63.818 -8.411 4.033 1.00 0.00 H new ATOM 0 HG2 MET A 192 62.439 -6.956 1.742 1.00 0.00 H new ATOM 0 HG3 MET A 192 63.822 -6.230 2.535 1.00 0.00 H new ATOM 0 HE1 MET A 192 66.781 -8.185 1.924 1.00 0.00 H new ATOM 0 HE2 MET A 192 65.797 -7.282 3.100 1.00 0.00 H new ATOM 0 HE3 MET A 192 65.830 -9.060 3.147 1.00 0.00 H new ATOM 1061 N GLY A 193 60.835 -9.560 5.473 1.00 0.00 N ATOM 1062 CA GLY A 193 60.814 -10.276 6.741 1.00 0.00 C ATOM 1063 C GLY A 193 60.000 -11.566 6.634 1.00 0.00 C ATOM 1064 O GLY A 193 59.931 -12.342 7.587 1.00 0.00 O ATOM 0 H GLY A 193 60.119 -8.839 5.383 1.00 0.00 H new ATOM 0 HA2 GLY A 193 61.834 -10.511 7.046 1.00 0.00 H new ATOM 0 HA3 GLY A 193 60.389 -9.638 7.515 1.00 0.00 H new