USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 577 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 73 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 74 HIS : no HE2:sc= 0.393 K(o=0.39,f=-1.6!) USER MOD Set 2.1: A 62 LYS NZ :NH3+ -173:sc= 2.28 (180deg=0.897) USER MOD Set 2.2: A 66 GLN : amide:sc= 1.72 K(o=4,f=-3.4!) USER MOD Set 3.1: A 54 THR OG1 : rot 180:sc= 0.392 USER MOD Set 3.2: A 57 GLN : amide:sc= 0.279 K(o=0.67,f=-0.044) USER MOD Set 4.1: A 21 ASN : amide:sc= 0.615 K(o=0.62,f=-4.8!) USER MOD Set 4.2: A 23 MET CE :methyl -176:sc= 0 (180deg=-0.0142) USER MOD Set 5.1: A 20 THR OG1 : rot 99:sc= 1.08 USER MOD Set 5.2: A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= 0.813 K(o=0.81,f=-1.4) USER MOD Single : A 9 GLN : amide:sc= 0.778 K(o=0.78,f=0) USER MOD Single : A 14 THR OG1 : rot -140:sc= -0.193 USER MOD Single : A 15 ASN : amide:sc= 0.544 K(o=0.54,f=-0.53) USER MOD Single : A 26 SER OG : rot 93:sc= 1.3 USER MOD Single : A 27 MET CE :methyl 171:sc= 0 (180deg=-0.0877) USER MOD Single : A 30 ASN : amide:sc= -0.18 X(o=-0.18,f=-0.083) USER MOD Single : A 31 GLN : amide:sc= 1.19 K(o=1.2,f=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 HIS : no HE2:sc= 1.08 K(o=1.1,f=-3.3!) USER MOD Single : A 53 THR OG1 : rot 74:sc= 0.88 USER MOD Single : A 58 SER OG : rot 78:sc= -0.237 USER MOD Single : A 59 ASN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 69 LYS NZ :NH3+ -145:sc= 1.21 (180deg=0.735) USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.0255 USER MOD Single : A 76 MET CE :methyl -179:sc= -0.104 (180deg=-0.107) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 90 N PRO A 7 12.114 6.427 9.260 1.00 0.00 N ATOM 91 CA PRO A 7 13.205 6.856 8.392 1.00 0.00 C ATOM 92 C PRO A 7 14.478 6.002 8.506 1.00 0.00 C ATOM 93 O PRO A 7 14.872 5.591 9.601 1.00 0.00 O ATOM 94 CB PRO A 7 13.461 8.322 8.753 1.00 0.00 C ATOM 95 CG PRO A 7 12.091 8.810 9.213 1.00 0.00 C ATOM 96 CD PRO A 7 11.504 7.582 9.906 1.00 0.00 C ATOM 0 HA PRO A 7 12.919 6.732 7.347 1.00 0.00 H new ATOM 0 HB2 PRO A 7 14.208 8.419 9.540 1.00 0.00 H new ATOM 0 HB3 PRO A 7 13.825 8.890 7.897 1.00 0.00 H new ATOM 0 HG2 PRO A 7 12.172 9.657 9.894 1.00 0.00 H new ATOM 0 HG3 PRO A 7 11.475 9.133 8.374 1.00 0.00 H new ATOM 0 HD2 PRO A 7 11.724 7.594 10.973 1.00 0.00 H new ATOM 0 HD3 PRO A 7 10.419 7.558 9.805 1.00 0.00 H new ATOM 104 N ASN A 8 15.155 5.801 7.372 1.00 0.00 N ATOM 105 CA ASN A 8 16.453 5.140 7.254 1.00 0.00 C ATOM 106 C ASN A 8 17.249 5.918 6.205 1.00 0.00 C ATOM 107 O ASN A 8 16.648 6.486 5.294 1.00 0.00 O ATOM 108 CB ASN A 8 16.287 3.666 6.825 1.00 0.00 C ATOM 109 CG ASN A 8 17.641 3.000 6.603 1.00 0.00 C ATOM 110 OD1 ASN A 8 18.600 3.254 7.328 1.00 0.00 O ATOM 111 ND2 ASN A 8 17.771 2.177 5.584 1.00 0.00 N ATOM 0 H ASN A 8 14.794 6.110 6.470 1.00 0.00 H new ATOM 0 HA ASN A 8 16.970 5.133 8.214 1.00 0.00 H new ATOM 0 HB2 ASN A 8 15.732 3.122 7.590 1.00 0.00 H new ATOM 0 HB3 ASN A 8 15.699 3.615 5.908 1.00 0.00 H new ATOM 0 HD21 ASN A 8 18.674 1.744 5.390 1.00 0.00 H new ATOM 0 HD22 ASN A 8 16.969 1.973 4.988 1.00 0.00 H new ATOM 118 N GLN A 9 18.581 5.953 6.312 1.00 0.00 N ATOM 119 CA GLN A 9 19.447 6.755 5.443 1.00 0.00 C ATOM 120 C GLN A 9 19.586 6.201 4.006 1.00 0.00 C ATOM 121 O GLN A 9 20.487 6.603 3.266 1.00 0.00 O ATOM 122 CB GLN A 9 20.802 7.035 6.121 1.00 0.00 C ATOM 123 CG GLN A 9 21.755 5.833 6.201 1.00 0.00 C ATOM 124 CD GLN A 9 23.105 6.226 6.802 1.00 0.00 C ATOM 125 OE1 GLN A 9 23.469 5.791 7.892 1.00 0.00 O ATOM 126 NE2 GLN A 9 23.881 7.049 6.112 1.00 0.00 N ATOM 0 H GLN A 9 19.094 5.419 7.013 1.00 0.00 H new ATOM 0 HA GLN A 9 18.946 7.713 5.306 1.00 0.00 H new ATOM 0 HB2 GLN A 9 21.301 7.839 5.580 1.00 0.00 H new ATOM 0 HB3 GLN A 9 20.616 7.399 7.132 1.00 0.00 H new ATOM 0 HG2 GLN A 9 21.301 5.048 6.806 1.00 0.00 H new ATOM 0 HG3 GLN A 9 21.906 5.420 5.204 1.00 0.00 H new ATOM 0 HE21 GLN A 9 23.570 7.405 5.208 1.00 0.00 H new ATOM 0 HE22 GLN A 9 24.789 7.327 6.485 1.00 0.00 H new ATOM 135 N ILE A 10 18.757 5.224 3.625 1.00 0.00 N ATOM 136 CA ILE A 10 18.823 4.509 2.360 1.00 0.00 C ATOM 137 C ILE A 10 17.370 4.283 1.930 1.00 0.00 C ATOM 138 O ILE A 10 16.515 3.961 2.764 1.00 0.00 O ATOM 139 CB ILE A 10 19.603 3.170 2.503 1.00 0.00 C ATOM 140 CG1 ILE A 10 20.916 3.300 3.315 1.00 0.00 C ATOM 141 CG2 ILE A 10 19.896 2.571 1.113 1.00 0.00 C ATOM 142 CD1 ILE A 10 21.711 2.000 3.479 1.00 0.00 C ATOM 0 H ILE A 10 17.993 4.901 4.218 1.00 0.00 H new ATOM 0 HA ILE A 10 19.367 5.080 1.608 1.00 0.00 H new ATOM 0 HB ILE A 10 18.956 2.500 3.069 1.00 0.00 H new ATOM 0 HG12 ILE A 10 21.554 4.039 2.829 1.00 0.00 H new ATOM 0 HG13 ILE A 10 20.676 3.688 4.305 1.00 0.00 H new ATOM 0 HG21 ILE A 10 20.442 1.635 1.228 1.00 0.00 H new ATOM 0 HG22 ILE A 10 18.957 2.382 0.593 1.00 0.00 H new ATOM 0 HG23 ILE A 10 20.497 3.272 0.534 1.00 0.00 H new ATOM 0 HD11 ILE A 10 22.612 2.195 4.061 1.00 0.00 H new ATOM 0 HD12 ILE A 10 21.098 1.261 3.996 1.00 0.00 H new ATOM 0 HD13 ILE A 10 21.990 1.618 2.497 1.00 0.00 H new ATOM 154 N LEU A 11 17.095 4.413 0.634 1.00 0.00 N ATOM 155 CA LEU A 11 15.791 4.211 0.018 1.00 0.00 C ATOM 156 C LEU A 11 15.936 3.123 -1.045 1.00 0.00 C ATOM 157 O LEU A 11 17.013 2.961 -1.625 1.00 0.00 O ATOM 158 CB LEU A 11 15.266 5.492 -0.662 1.00 0.00 C ATOM 159 CG LEU A 11 15.062 6.776 0.165 1.00 0.00 C ATOM 160 CD1 LEU A 11 14.335 6.539 1.491 1.00 0.00 C ATOM 161 CD2 LEU A 11 16.362 7.557 0.397 1.00 0.00 C ATOM 0 H LEU A 11 17.810 4.674 -0.044 1.00 0.00 H new ATOM 0 HA LEU A 11 15.082 3.930 0.797 1.00 0.00 H new ATOM 0 HB2 LEU A 11 15.954 5.734 -1.472 1.00 0.00 H new ATOM 0 HB3 LEU A 11 14.308 5.246 -1.120 1.00 0.00 H new ATOM 0 HG LEU A 11 14.412 7.393 -0.455 1.00 0.00 H new ATOM 0 HD11 LEU A 11 14.226 7.486 2.020 1.00 0.00 H new ATOM 0 HD12 LEU A 11 13.349 6.117 1.295 1.00 0.00 H new ATOM 0 HD13 LEU A 11 14.911 5.845 2.103 1.00 0.00 H new ATOM 0 HD21 LEU A 11 16.150 8.450 0.985 1.00 0.00 H new ATOM 0 HD22 LEU A 11 17.073 6.929 0.934 1.00 0.00 H new ATOM 0 HD23 LEU A 11 16.788 7.848 -0.563 1.00 0.00 H new ATOM 173 N PHE A 12 14.840 2.430 -1.344 1.00 0.00 N ATOM 174 CA PHE A 12 14.714 1.507 -2.462 1.00 0.00 C ATOM 175 C PHE A 12 13.593 2.050 -3.335 1.00 0.00 C ATOM 176 O PHE A 12 12.565 2.508 -2.822 1.00 0.00 O ATOM 177 CB PHE A 12 14.401 0.087 -1.979 1.00 0.00 C ATOM 178 CG PHE A 12 14.088 -0.865 -3.120 1.00 0.00 C ATOM 179 CD1 PHE A 12 15.119 -1.339 -3.951 1.00 0.00 C ATOM 180 CD2 PHE A 12 12.756 -1.230 -3.396 1.00 0.00 C ATOM 181 CE1 PHE A 12 14.831 -2.203 -5.023 1.00 0.00 C ATOM 182 CE2 PHE A 12 12.466 -2.098 -4.463 1.00 0.00 C ATOM 183 CZ PHE A 12 13.503 -2.589 -5.275 1.00 0.00 C ATOM 0 H PHE A 12 13.985 2.501 -0.792 1.00 0.00 H new ATOM 0 HA PHE A 12 15.648 1.437 -3.019 1.00 0.00 H new ATOM 0 HB2 PHE A 12 15.251 -0.296 -1.415 1.00 0.00 H new ATOM 0 HB3 PHE A 12 13.553 0.119 -1.295 1.00 0.00 H new ATOM 0 HD1 PHE A 12 16.139 -1.037 -3.765 1.00 0.00 H new ATOM 0 HD2 PHE A 12 11.954 -0.841 -2.785 1.00 0.00 H new ATOM 0 HE1 PHE A 12 15.629 -2.569 -5.652 1.00 0.00 H new ATOM 0 HE2 PHE A 12 11.444 -2.388 -4.659 1.00 0.00 H new ATOM 0 HZ PHE A 12 13.280 -3.261 -6.090 1.00 0.00 H new ATOM 193 N LEU A 13 13.807 2.042 -4.645 1.00 0.00 N ATOM 194 CA LEU A 13 12.967 2.706 -5.622 1.00 0.00 C ATOM 195 C LEU A 13 12.560 1.709 -6.693 1.00 0.00 C ATOM 196 O LEU A 13 13.292 0.757 -6.978 1.00 0.00 O ATOM 197 CB LEU A 13 13.713 3.870 -6.292 1.00 0.00 C ATOM 198 CG LEU A 13 13.789 5.164 -5.471 1.00 0.00 C ATOM 199 CD1 LEU A 13 14.702 5.072 -4.243 1.00 0.00 C ATOM 200 CD2 LEU A 13 14.318 6.276 -6.375 1.00 0.00 C ATOM 0 H LEU A 13 14.598 1.555 -5.066 1.00 0.00 H new ATOM 0 HA LEU A 13 12.090 3.099 -5.108 1.00 0.00 H new ATOM 0 HB2 LEU A 13 14.728 3.545 -6.521 1.00 0.00 H new ATOM 0 HB3 LEU A 13 13.227 4.091 -7.243 1.00 0.00 H new ATOM 0 HG LEU A 13 12.782 5.362 -5.103 1.00 0.00 H new ATOM 0 HD11 LEU A 13 14.701 6.027 -3.717 1.00 0.00 H new ATOM 0 HD12 LEU A 13 14.338 4.290 -3.577 1.00 0.00 H new ATOM 0 HD13 LEU A 13 15.717 4.834 -4.561 1.00 0.00 H new ATOM 0 HD21 LEU A 13 14.380 7.206 -5.810 1.00 0.00 H new ATOM 0 HD22 LEU A 13 15.309 6.007 -6.741 1.00 0.00 H new ATOM 0 HD23 LEU A 13 13.643 6.409 -7.221 1.00 0.00 H new ATOM 212 N THR A 14 11.422 2.002 -7.316 1.00 0.00 N ATOM 213 CA THR A 14 10.683 1.145 -8.225 1.00 0.00 C ATOM 214 C THR A 14 9.948 1.996 -9.270 1.00 0.00 C ATOM 215 O THR A 14 9.828 3.218 -9.117 1.00 0.00 O ATOM 216 CB THR A 14 9.685 0.291 -7.403 1.00 0.00 C ATOM 217 OG1 THR A 14 9.439 0.773 -6.084 1.00 0.00 O ATOM 218 CG2 THR A 14 10.218 -1.120 -7.238 1.00 0.00 C ATOM 0 H THR A 14 10.965 2.905 -7.188 1.00 0.00 H new ATOM 0 HA THR A 14 11.367 0.483 -8.756 1.00 0.00 H new ATOM 0 HB THR A 14 8.756 0.337 -7.971 1.00 0.00 H new ATOM 0 HG1 THR A 14 9.385 0.016 -5.464 1.00 0.00 H new ATOM 0 HG21 THR A 14 9.509 -1.711 -6.659 1.00 0.00 H new ATOM 0 HG22 THR A 14 10.354 -1.575 -8.219 1.00 0.00 H new ATOM 0 HG23 THR A 14 11.175 -1.089 -6.717 1.00 0.00 H new ATOM 226 N ASN A 15 9.401 1.341 -10.301 1.00 0.00 N ATOM 227 CA ASN A 15 8.633 1.938 -11.396 1.00 0.00 C ATOM 228 C ASN A 15 9.438 2.963 -12.217 1.00 0.00 C ATOM 229 O ASN A 15 8.865 3.799 -12.918 1.00 0.00 O ATOM 230 CB ASN A 15 7.291 2.498 -10.883 1.00 0.00 C ATOM 231 CG ASN A 15 6.321 2.811 -12.022 1.00 0.00 C ATOM 232 OD1 ASN A 15 6.079 1.982 -12.895 1.00 0.00 O ATOM 233 ND2 ASN A 15 5.719 3.990 -12.025 1.00 0.00 N ATOM 0 H ASN A 15 9.487 0.329 -10.397 1.00 0.00 H new ATOM 0 HA ASN A 15 8.406 1.138 -12.101 1.00 0.00 H new ATOM 0 HB2 ASN A 15 6.833 1.776 -10.207 1.00 0.00 H new ATOM 0 HB3 ASN A 15 7.475 3.404 -10.306 1.00 0.00 H new ATOM 0 HD21 ASN A 15 5.046 4.217 -12.757 1.00 0.00 H new ATOM 0 HD22 ASN A 15 5.928 4.671 -11.295 1.00 0.00 H new ATOM 240 N LEU A 16 10.769 2.930 -12.120 1.00 0.00 N ATOM 241 CA LEU A 16 11.668 3.834 -12.832 1.00 0.00 C ATOM 242 C LEU A 16 11.553 3.594 -14.349 1.00 0.00 C ATOM 243 O LEU A 16 11.172 2.489 -14.748 1.00 0.00 O ATOM 244 CB LEU A 16 13.119 3.580 -12.390 1.00 0.00 C ATOM 245 CG LEU A 16 13.414 3.637 -10.881 1.00 0.00 C ATOM 246 CD1 LEU A 16 14.882 3.292 -10.644 1.00 0.00 C ATOM 247 CD2 LEU A 16 13.124 5.010 -10.277 1.00 0.00 C ATOM 0 H LEU A 16 11.260 2.258 -11.530 1.00 0.00 H new ATOM 0 HA LEU A 16 11.391 4.863 -12.602 1.00 0.00 H new ATOM 0 HB2 LEU A 16 13.416 2.597 -12.756 1.00 0.00 H new ATOM 0 HB3 LEU A 16 13.757 4.311 -12.887 1.00 0.00 H new ATOM 0 HG LEU A 16 12.757 2.917 -10.394 1.00 0.00 H new ATOM 0 HD11 LEU A 16 15.097 3.331 -9.576 1.00 0.00 H new ATOM 0 HD12 LEU A 16 15.085 2.289 -11.019 1.00 0.00 H new ATOM 0 HD13 LEU A 16 15.514 4.010 -11.168 1.00 0.00 H new ATOM 0 HD21 LEU A 16 13.350 4.993 -9.211 1.00 0.00 H new ATOM 0 HD22 LEU A 16 13.743 5.761 -10.767 1.00 0.00 H new ATOM 0 HD23 LEU A 16 12.072 5.256 -10.421 1.00 0.00 H new ATOM 259 N PRO A 17 11.901 4.579 -15.201 1.00 0.00 N ATOM 260 CA PRO A 17 12.034 4.381 -16.640 1.00 0.00 C ATOM 261 C PRO A 17 12.867 3.133 -16.948 1.00 0.00 C ATOM 262 O PRO A 17 13.888 2.881 -16.303 1.00 0.00 O ATOM 263 CB PRO A 17 12.704 5.640 -17.194 1.00 0.00 C ATOM 264 CG PRO A 17 12.400 6.710 -16.153 1.00 0.00 C ATOM 265 CD PRO A 17 12.191 5.956 -14.843 1.00 0.00 C ATOM 0 HA PRO A 17 11.060 4.224 -17.103 1.00 0.00 H new ATOM 0 HB2 PRO A 17 13.778 5.498 -17.319 1.00 0.00 H new ATOM 0 HB3 PRO A 17 12.302 5.909 -18.171 1.00 0.00 H new ATOM 0 HG2 PRO A 17 13.222 7.421 -16.070 1.00 0.00 H new ATOM 0 HG3 PRO A 17 11.511 7.280 -16.424 1.00 0.00 H new ATOM 0 HD2 PRO A 17 13.080 6.015 -14.216 1.00 0.00 H new ATOM 0 HD3 PRO A 17 11.370 6.390 -14.273 1.00 0.00 H new ATOM 273 N GLU A 18 12.508 2.402 -18.002 1.00 0.00 N ATOM 274 CA GLU A 18 13.240 1.218 -18.463 1.00 0.00 C ATOM 275 C GLU A 18 14.623 1.554 -19.053 1.00 0.00 C ATOM 276 O GLU A 18 15.328 0.669 -19.539 1.00 0.00 O ATOM 277 CB GLU A 18 12.356 0.424 -19.439 1.00 0.00 C ATOM 278 CG GLU A 18 12.010 1.185 -20.728 1.00 0.00 C ATOM 279 CD GLU A 18 11.105 0.346 -21.648 1.00 0.00 C ATOM 280 OE1 GLU A 18 11.625 -0.431 -22.482 1.00 0.00 O ATOM 281 OE2 GLU A 18 9.861 0.464 -21.562 1.00 0.00 O ATOM 0 H GLU A 18 11.688 2.617 -18.570 1.00 0.00 H new ATOM 0 HA GLU A 18 13.457 0.592 -17.598 1.00 0.00 H new ATOM 0 HB2 GLU A 18 12.865 -0.503 -19.702 1.00 0.00 H new ATOM 0 HB3 GLU A 18 11.431 0.148 -18.933 1.00 0.00 H new ATOM 0 HG2 GLU A 18 11.510 2.120 -20.477 1.00 0.00 H new ATOM 0 HG3 GLU A 18 12.927 1.446 -21.256 1.00 0.00 H new ATOM 288 N GLU A 19 15.015 2.829 -19.001 1.00 0.00 N ATOM 289 CA GLU A 19 16.242 3.388 -19.528 1.00 0.00 C ATOM 290 C GLU A 19 17.028 4.139 -18.436 1.00 0.00 C ATOM 291 O GLU A 19 17.999 4.832 -18.748 1.00 0.00 O ATOM 292 CB GLU A 19 15.927 4.312 -20.722 1.00 0.00 C ATOM 293 CG GLU A 19 15.008 3.687 -21.783 1.00 0.00 C ATOM 294 CD GLU A 19 14.920 4.569 -23.041 1.00 0.00 C ATOM 295 OE1 GLU A 19 14.063 5.481 -23.098 1.00 0.00 O ATOM 296 OE2 GLU A 19 15.696 4.351 -23.999 1.00 0.00 O ATOM 0 H GLU A 19 14.435 3.541 -18.556 1.00 0.00 H new ATOM 0 HA GLU A 19 16.874 2.571 -19.876 1.00 0.00 H new ATOM 0 HB2 GLU A 19 15.462 5.224 -20.347 1.00 0.00 H new ATOM 0 HB3 GLU A 19 16.864 4.604 -21.197 1.00 0.00 H new ATOM 0 HG2 GLU A 19 15.382 2.700 -22.055 1.00 0.00 H new ATOM 0 HG3 GLU A 19 14.011 3.546 -21.365 1.00 0.00 H new ATOM 303 N THR A 20 16.605 4.052 -17.165 1.00 0.00 N ATOM 304 CA THR A 20 17.220 4.802 -16.074 1.00 0.00 C ATOM 305 C THR A 20 18.676 4.377 -15.913 1.00 0.00 C ATOM 306 O THR A 20 19.010 3.194 -16.037 1.00 0.00 O ATOM 307 CB THR A 20 16.428 4.627 -14.770 1.00 0.00 C ATOM 308 OG1 THR A 20 15.075 4.883 -15.030 1.00 0.00 O ATOM 309 CG2 THR A 20 16.829 5.637 -13.688 1.00 0.00 C ATOM 0 H THR A 20 15.828 3.459 -16.872 1.00 0.00 H new ATOM 0 HA THR A 20 17.199 5.864 -16.317 1.00 0.00 H new ATOM 0 HB THR A 20 16.628 3.614 -14.421 1.00 0.00 H new ATOM 0 HG1 THR A 20 14.599 4.035 -15.152 1.00 0.00 H new ATOM 0 HG21 THR A 20 16.235 5.464 -12.790 1.00 0.00 H new ATOM 0 HG22 THR A 20 17.886 5.517 -13.452 1.00 0.00 H new ATOM 0 HG23 THR A 20 16.651 6.649 -14.051 1.00 0.00 H new ATOM 317 N ASN A 21 19.537 5.343 -15.596 1.00 0.00 N ATOM 318 CA ASN A 21 20.932 5.119 -15.267 1.00 0.00 C ATOM 319 C ASN A 21 21.288 6.001 -14.068 1.00 0.00 C ATOM 320 O ASN A 21 20.518 6.893 -13.703 1.00 0.00 O ATOM 321 CB ASN A 21 21.841 5.392 -16.479 1.00 0.00 C ATOM 322 CG ASN A 21 22.124 6.875 -16.677 1.00 0.00 C ATOM 323 OD1 ASN A 21 23.078 7.404 -16.122 1.00 0.00 O ATOM 324 ND2 ASN A 21 21.301 7.576 -17.440 1.00 0.00 N ATOM 0 H ASN A 21 19.270 6.327 -15.562 1.00 0.00 H new ATOM 0 HA ASN A 21 21.091 4.074 -15.002 1.00 0.00 H new ATOM 0 HB2 ASN A 21 22.784 4.860 -16.348 1.00 0.00 H new ATOM 0 HB3 ASN A 21 21.371 4.992 -17.378 1.00 0.00 H new ATOM 0 HD21 ASN A 21 21.456 8.575 -17.574 1.00 0.00 H new ATOM 0 HD22 ASN A 21 20.511 7.117 -17.894 1.00 0.00 H new ATOM 331 N GLU A 22 22.455 5.759 -13.473 1.00 0.00 N ATOM 332 CA GLU A 22 22.934 6.397 -12.246 1.00 0.00 C ATOM 333 C GLU A 22 22.816 7.924 -12.291 1.00 0.00 C ATOM 334 O GLU A 22 22.416 8.553 -11.308 1.00 0.00 O ATOM 335 CB GLU A 22 24.394 5.947 -12.048 1.00 0.00 C ATOM 336 CG GLU A 22 25.005 6.333 -10.696 1.00 0.00 C ATOM 337 CD GLU A 22 26.507 5.997 -10.647 1.00 0.00 C ATOM 338 OE1 GLU A 22 26.871 4.812 -10.469 1.00 0.00 O ATOM 339 OE2 GLU A 22 27.346 6.917 -10.780 1.00 0.00 O ATOM 0 H GLU A 22 23.122 5.084 -13.848 1.00 0.00 H new ATOM 0 HA GLU A 22 22.314 6.091 -11.403 1.00 0.00 H new ATOM 0 HB2 GLU A 22 24.444 4.864 -12.158 1.00 0.00 H new ATOM 0 HB3 GLU A 22 25.003 6.377 -12.843 1.00 0.00 H new ATOM 0 HG2 GLU A 22 24.862 7.399 -10.521 1.00 0.00 H new ATOM 0 HG3 GLU A 22 24.486 5.806 -9.896 1.00 0.00 H new ATOM 346 N MET A 23 23.133 8.524 -13.438 1.00 0.00 N ATOM 347 CA MET A 23 23.211 9.974 -13.575 1.00 0.00 C ATOM 348 C MET A 23 21.839 10.623 -13.418 1.00 0.00 C ATOM 349 O MET A 23 21.753 11.718 -12.866 1.00 0.00 O ATOM 350 CB MET A 23 23.820 10.368 -14.928 1.00 0.00 C ATOM 351 CG MET A 23 25.256 9.850 -15.096 1.00 0.00 C ATOM 352 SD MET A 23 26.089 10.369 -16.625 1.00 0.00 S ATOM 353 CE MET A 23 25.170 9.395 -17.852 1.00 0.00 C ATOM 0 H MET A 23 23.343 8.016 -14.297 1.00 0.00 H new ATOM 0 HA MET A 23 23.859 10.338 -12.777 1.00 0.00 H new ATOM 0 HB2 MET A 23 23.198 9.974 -15.732 1.00 0.00 H new ATOM 0 HB3 MET A 23 23.815 11.454 -15.024 1.00 0.00 H new ATOM 0 HG2 MET A 23 25.849 10.187 -14.245 1.00 0.00 H new ATOM 0 HG3 MET A 23 25.239 8.761 -15.062 1.00 0.00 H new ATOM 0 HE1 MET A 23 25.608 9.547 -18.839 1.00 0.00 H new ATOM 0 HE2 MET A 23 25.222 8.338 -17.590 1.00 0.00 H new ATOM 0 HE3 MET A 23 24.128 9.715 -17.864 1.00 0.00 H new ATOM 363 N MET A 24 20.772 9.954 -13.867 1.00 0.00 N ATOM 364 CA MET A 24 19.415 10.495 -13.803 1.00 0.00 C ATOM 365 C MET A 24 19.015 10.709 -12.352 1.00 0.00 C ATOM 366 O MET A 24 18.671 11.820 -11.947 1.00 0.00 O ATOM 367 CB MET A 24 18.417 9.560 -14.512 1.00 0.00 C ATOM 368 CG MET A 24 18.556 9.679 -16.030 1.00 0.00 C ATOM 369 SD MET A 24 17.768 8.370 -17.007 1.00 0.00 S ATOM 370 CE MET A 24 16.021 8.602 -16.573 1.00 0.00 C ATOM 0 H MET A 24 20.827 9.025 -14.284 1.00 0.00 H new ATOM 0 HA MET A 24 19.395 11.454 -14.320 1.00 0.00 H new ATOM 0 HB2 MET A 24 18.594 8.529 -14.205 1.00 0.00 H new ATOM 0 HB3 MET A 24 17.399 9.811 -14.213 1.00 0.00 H new ATOM 0 HG2 MET A 24 18.138 10.637 -16.339 1.00 0.00 H new ATOM 0 HG3 MET A 24 19.617 9.700 -16.277 1.00 0.00 H new ATOM 0 HE1 MET A 24 15.414 7.866 -17.100 1.00 0.00 H new ATOM 0 HE2 MET A 24 15.893 8.475 -15.498 1.00 0.00 H new ATOM 0 HE3 MET A 24 15.705 9.605 -16.860 1.00 0.00 H new ATOM 380 N LEU A 25 19.098 9.652 -11.548 1.00 0.00 N ATOM 381 CA LEU A 25 18.654 9.755 -10.165 1.00 0.00 C ATOM 382 C LEU A 25 19.645 10.571 -9.346 1.00 0.00 C ATOM 383 O LEU A 25 19.219 11.259 -8.422 1.00 0.00 O ATOM 384 CB LEU A 25 18.455 8.387 -9.508 1.00 0.00 C ATOM 385 CG LEU A 25 17.442 7.455 -10.187 1.00 0.00 C ATOM 386 CD1 LEU A 25 17.082 6.356 -9.185 1.00 0.00 C ATOM 387 CD2 LEU A 25 16.183 8.197 -10.655 1.00 0.00 C ATOM 0 H LEU A 25 19.459 8.738 -11.822 1.00 0.00 H new ATOM 0 HA LEU A 25 17.687 10.257 -10.185 1.00 0.00 H new ATOM 0 HB2 LEU A 25 19.419 7.879 -9.473 1.00 0.00 H new ATOM 0 HB3 LEU A 25 18.140 8.544 -8.476 1.00 0.00 H new ATOM 0 HG LEU A 25 17.891 7.032 -11.086 1.00 0.00 H new ATOM 0 HD11 LEU A 25 16.362 5.674 -9.636 1.00 0.00 H new ATOM 0 HD12 LEU A 25 17.981 5.805 -8.911 1.00 0.00 H new ATOM 0 HD13 LEU A 25 16.646 6.806 -8.293 1.00 0.00 H new ATOM 0 HD21 LEU A 25 15.500 7.492 -11.128 1.00 0.00 H new ATOM 0 HD22 LEU A 25 15.692 8.658 -9.798 1.00 0.00 H new ATOM 0 HD23 LEU A 25 16.461 8.969 -11.372 1.00 0.00 H new ATOM 399 N SER A 26 20.939 10.543 -9.684 1.00 0.00 N ATOM 400 CA SER A 26 21.909 11.388 -9.005 1.00 0.00 C ATOM 401 C SER A 26 21.546 12.854 -9.226 1.00 0.00 C ATOM 402 O SER A 26 21.461 13.614 -8.265 1.00 0.00 O ATOM 403 CB SER A 26 23.333 11.080 -9.478 1.00 0.00 C ATOM 404 OG SER A 26 23.644 9.719 -9.251 1.00 0.00 O ATOM 0 H SER A 26 21.329 9.949 -10.416 1.00 0.00 H new ATOM 0 HA SER A 26 21.880 11.181 -7.935 1.00 0.00 H new ATOM 0 HB2 SER A 26 23.428 11.309 -10.539 1.00 0.00 H new ATOM 0 HB3 SER A 26 24.044 11.715 -8.950 1.00 0.00 H new ATOM 0 HG SER A 26 23.439 9.198 -10.055 1.00 0.00 H new ATOM 410 N MET A 27 21.242 13.242 -10.467 1.00 0.00 N ATOM 411 CA MET A 27 20.802 14.589 -10.796 1.00 0.00 C ATOM 412 C MET A 27 19.531 14.946 -10.016 1.00 0.00 C ATOM 413 O MET A 27 19.445 16.053 -9.482 1.00 0.00 O ATOM 414 CB MET A 27 20.596 14.686 -12.316 1.00 0.00 C ATOM 415 CG MET A 27 20.127 16.074 -12.756 1.00 0.00 C ATOM 416 SD MET A 27 19.910 16.279 -14.548 1.00 0.00 S ATOM 417 CE MET A 27 18.478 15.200 -14.837 1.00 0.00 C ATOM 0 H MET A 27 21.297 12.621 -11.274 1.00 0.00 H new ATOM 0 HA MET A 27 21.562 15.314 -10.504 1.00 0.00 H new ATOM 0 HB2 MET A 27 21.531 14.444 -12.822 1.00 0.00 H new ATOM 0 HB3 MET A 27 19.863 13.942 -12.628 1.00 0.00 H new ATOM 0 HG2 MET A 27 19.180 16.294 -12.263 1.00 0.00 H new ATOM 0 HG3 MET A 27 20.848 16.813 -12.406 1.00 0.00 H new ATOM 0 HE1 MET A 27 18.119 15.337 -15.857 1.00 0.00 H new ATOM 0 HE2 MET A 27 18.771 14.160 -14.692 1.00 0.00 H new ATOM 0 HE3 MET A 27 17.684 15.454 -14.135 1.00 0.00 H new ATOM 427 N LEU A 28 18.558 14.028 -9.928 1.00 0.00 N ATOM 428 CA LEU A 28 17.291 14.316 -9.258 1.00 0.00 C ATOM 429 C LEU A 28 17.478 14.495 -7.756 1.00 0.00 C ATOM 430 O LEU A 28 17.000 15.485 -7.207 1.00 0.00 O ATOM 431 CB LEU A 28 16.234 13.233 -9.540 1.00 0.00 C ATOM 432 CG LEU A 28 15.701 13.234 -10.986 1.00 0.00 C ATOM 433 CD1 LEU A 28 14.718 12.074 -11.173 1.00 0.00 C ATOM 434 CD2 LEU A 28 15.004 14.548 -11.366 1.00 0.00 C ATOM 0 H LEU A 28 18.627 13.085 -10.312 1.00 0.00 H new ATOM 0 HA LEU A 28 16.927 15.257 -9.671 1.00 0.00 H new ATOM 0 HB2 LEU A 28 16.665 12.255 -9.324 1.00 0.00 H new ATOM 0 HB3 LEU A 28 15.397 13.371 -8.856 1.00 0.00 H new ATOM 0 HG LEU A 28 16.565 13.121 -11.641 1.00 0.00 H new ATOM 0 HD11 LEU A 28 14.342 12.077 -12.196 1.00 0.00 H new ATOM 0 HD12 LEU A 28 15.227 11.130 -10.976 1.00 0.00 H new ATOM 0 HD13 LEU A 28 13.884 12.188 -10.480 1.00 0.00 H new ATOM 0 HD21 LEU A 28 14.650 14.488 -12.395 1.00 0.00 H new ATOM 0 HD22 LEU A 28 14.157 14.716 -10.701 1.00 0.00 H new ATOM 0 HD23 LEU A 28 15.709 15.374 -11.272 1.00 0.00 H new ATOM 446 N PHE A 29 18.148 13.564 -7.082 1.00 0.00 N ATOM 447 CA PHE A 29 18.223 13.587 -5.621 1.00 0.00 C ATOM 448 C PHE A 29 19.329 14.505 -5.084 1.00 0.00 C ATOM 449 O PHE A 29 19.208 14.993 -3.961 1.00 0.00 O ATOM 450 CB PHE A 29 18.422 12.166 -5.084 1.00 0.00 C ATOM 451 CG PHE A 29 17.164 11.326 -5.022 1.00 0.00 C ATOM 452 CD1 PHE A 29 16.706 10.626 -6.153 1.00 0.00 C ATOM 453 CD2 PHE A 29 16.455 11.229 -3.809 1.00 0.00 C ATOM 454 CE1 PHE A 29 15.543 9.846 -6.074 1.00 0.00 C ATOM 455 CE2 PHE A 29 15.288 10.451 -3.728 1.00 0.00 C ATOM 456 CZ PHE A 29 14.831 9.765 -4.864 1.00 0.00 C ATOM 0 H PHE A 29 18.645 12.788 -7.519 1.00 0.00 H new ATOM 0 HA PHE A 29 17.276 13.996 -5.268 1.00 0.00 H new ATOM 0 HB2 PHE A 29 19.152 11.655 -5.712 1.00 0.00 H new ATOM 0 HB3 PHE A 29 18.850 12.228 -4.083 1.00 0.00 H new ATOM 0 HD1 PHE A 29 17.251 10.689 -7.083 1.00 0.00 H new ATOM 0 HD2 PHE A 29 16.811 11.756 -2.936 1.00 0.00 H new ATOM 0 HE1 PHE A 29 15.194 9.307 -6.943 1.00 0.00 H new ATOM 0 HE2 PHE A 29 14.746 10.381 -2.797 1.00 0.00 H new ATOM 0 HZ PHE A 29 13.929 9.173 -4.809 1.00 0.00 H new ATOM 466 N ASN A 30 20.403 14.777 -5.833 1.00 0.00 N ATOM 467 CA ASN A 30 21.530 15.570 -5.323 1.00 0.00 C ATOM 468 C ASN A 30 21.151 17.027 -5.016 1.00 0.00 C ATOM 469 O ASN A 30 21.914 17.735 -4.359 1.00 0.00 O ATOM 470 CB ASN A 30 22.712 15.507 -6.290 1.00 0.00 C ATOM 471 CG ASN A 30 23.936 16.276 -5.795 1.00 0.00 C ATOM 472 OD1 ASN A 30 24.483 15.987 -4.735 1.00 0.00 O ATOM 473 ND2 ASN A 30 24.411 17.251 -6.556 1.00 0.00 N ATOM 0 H ASN A 30 20.517 14.460 -6.796 1.00 0.00 H new ATOM 0 HA ASN A 30 21.823 15.123 -4.373 1.00 0.00 H new ATOM 0 HB2 ASN A 30 22.986 14.464 -6.451 1.00 0.00 H new ATOM 0 HB3 ASN A 30 22.405 15.908 -7.256 1.00 0.00 H new ATOM 0 HD21 ASN A 30 25.239 17.770 -6.263 1.00 0.00 H new ATOM 0 HD22 ASN A 30 23.949 17.483 -7.435 1.00 0.00 H new ATOM 480 N GLN A 31 19.975 17.491 -5.463 1.00 0.00 N ATOM 481 CA GLN A 31 19.455 18.801 -5.086 1.00 0.00 C ATOM 482 C GLN A 31 19.330 18.945 -3.560 1.00 0.00 C ATOM 483 O GLN A 31 19.440 20.058 -3.043 1.00 0.00 O ATOM 484 CB GLN A 31 18.115 19.077 -5.793 1.00 0.00 C ATOM 485 CG GLN A 31 16.942 18.234 -5.263 1.00 0.00 C ATOM 486 CD GLN A 31 15.645 18.527 -6.019 1.00 0.00 C ATOM 487 OE1 GLN A 31 15.003 19.555 -5.817 1.00 0.00 O ATOM 488 NE2 GLN A 31 15.235 17.644 -6.913 1.00 0.00 N ATOM 0 H GLN A 31 19.366 16.968 -6.092 1.00 0.00 H new ATOM 0 HA GLN A 31 20.171 19.553 -5.417 1.00 0.00 H new ATOM 0 HB2 GLN A 31 17.869 20.133 -5.683 1.00 0.00 H new ATOM 0 HB3 GLN A 31 18.233 18.887 -6.860 1.00 0.00 H new ATOM 0 HG2 GLN A 31 17.185 17.175 -5.354 1.00 0.00 H new ATOM 0 HG3 GLN A 31 16.798 18.438 -4.202 1.00 0.00 H new ATOM 0 HE21 GLN A 31 15.774 16.793 -7.074 1.00 0.00 H new ATOM 0 HE22 GLN A 31 14.379 17.813 -7.442 1.00 0.00 H new ATOM 497 N PHE A 32 19.087 17.841 -2.839 1.00 0.00 N ATOM 498 CA PHE A 32 18.938 17.862 -1.390 1.00 0.00 C ATOM 499 C PHE A 32 20.342 17.793 -0.768 1.00 0.00 C ATOM 500 O PHE A 32 21.139 16.953 -1.200 1.00 0.00 O ATOM 501 CB PHE A 32 18.060 16.686 -0.933 1.00 0.00 C ATOM 502 CG PHE A 32 16.745 16.567 -1.694 1.00 0.00 C ATOM 503 CD1 PHE A 32 15.776 17.588 -1.632 1.00 0.00 C ATOM 504 CD2 PHE A 32 16.517 15.459 -2.533 1.00 0.00 C ATOM 505 CE1 PHE A 32 14.616 17.513 -2.431 1.00 0.00 C ATOM 506 CE2 PHE A 32 15.365 15.381 -3.325 1.00 0.00 C ATOM 507 CZ PHE A 32 14.422 16.415 -3.290 1.00 0.00 C ATOM 0 H PHE A 32 18.990 16.913 -3.250 1.00 0.00 H new ATOM 0 HA PHE A 32 18.444 18.778 -1.065 1.00 0.00 H new ATOM 0 HB2 PHE A 32 18.621 15.759 -1.050 1.00 0.00 H new ATOM 0 HB3 PHE A 32 17.845 16.797 0.130 1.00 0.00 H new ATOM 0 HD1 PHE A 32 15.922 18.430 -0.971 1.00 0.00 H new ATOM 0 HD2 PHE A 32 17.241 14.658 -2.566 1.00 0.00 H new ATOM 0 HE1 PHE A 32 13.876 18.298 -2.384 1.00 0.00 H new ATOM 0 HE2 PHE A 32 15.204 14.524 -3.962 1.00 0.00 H new ATOM 0 HZ PHE A 32 13.547 16.370 -3.921 1.00 0.00 H new ATOM 517 N PRO A 33 20.661 18.609 0.255 1.00 0.00 N ATOM 518 CA PRO A 33 22.007 18.745 0.826 1.00 0.00 C ATOM 519 C PRO A 33 22.421 17.551 1.717 1.00 0.00 C ATOM 520 O PRO A 33 23.138 17.717 2.708 1.00 0.00 O ATOM 521 CB PRO A 33 21.981 20.093 1.562 1.00 0.00 C ATOM 522 CG PRO A 33 20.535 20.208 2.030 1.00 0.00 C ATOM 523 CD PRO A 33 19.761 19.576 0.875 1.00 0.00 C ATOM 0 HA PRO A 33 22.777 18.730 0.055 1.00 0.00 H new ATOM 0 HB2 PRO A 33 22.678 20.107 2.400 1.00 0.00 H new ATOM 0 HB3 PRO A 33 22.258 20.916 0.904 1.00 0.00 H new ATOM 0 HG2 PRO A 33 20.369 19.678 2.968 1.00 0.00 H new ATOM 0 HG3 PRO A 33 20.243 21.245 2.194 1.00 0.00 H new ATOM 0 HD2 PRO A 33 18.856 19.088 1.236 1.00 0.00 H new ATOM 0 HD3 PRO A 33 19.450 20.334 0.156 1.00 0.00 H new ATOM 531 N GLY A 34 21.976 16.338 1.376 1.00 0.00 N ATOM 532 CA GLY A 34 22.260 15.109 2.100 1.00 0.00 C ATOM 533 C GLY A 34 22.526 13.920 1.187 1.00 0.00 C ATOM 534 O GLY A 34 22.892 12.867 1.706 1.00 0.00 O ATOM 0 H GLY A 34 21.387 16.186 0.557 1.00 0.00 H new ATOM 0 HA2 GLY A 34 23.126 15.266 2.742 1.00 0.00 H new ATOM 0 HA3 GLY A 34 21.418 14.877 2.752 1.00 0.00 H new ATOM 538 N PHE A 35 22.360 14.046 -0.132 1.00 0.00 N ATOM 539 CA PHE A 35 22.632 12.991 -1.087 1.00 0.00 C ATOM 540 C PHE A 35 24.051 12.448 -0.934 1.00 0.00 C ATOM 541 O PHE A 35 24.991 13.197 -0.649 1.00 0.00 O ATOM 542 CB PHE A 35 22.434 13.595 -2.473 1.00 0.00 C ATOM 543 CG PHE A 35 22.790 12.682 -3.624 1.00 0.00 C ATOM 544 CD1 PHE A 35 21.817 11.824 -4.151 1.00 0.00 C ATOM 545 CD2 PHE A 35 24.084 12.702 -4.180 1.00 0.00 C ATOM 546 CE1 PHE A 35 22.123 10.995 -5.237 1.00 0.00 C ATOM 547 CE2 PHE A 35 24.398 11.856 -5.257 1.00 0.00 C ATOM 548 CZ PHE A 35 23.415 11.001 -5.784 1.00 0.00 C ATOM 0 H PHE A 35 22.025 14.906 -0.566 1.00 0.00 H new ATOM 0 HA PHE A 35 21.961 12.148 -0.923 1.00 0.00 H new ATOM 0 HB2 PHE A 35 21.391 13.896 -2.576 1.00 0.00 H new ATOM 0 HB3 PHE A 35 23.036 14.501 -2.548 1.00 0.00 H new ATOM 0 HD1 PHE A 35 20.828 11.802 -3.719 1.00 0.00 H new ATOM 0 HD2 PHE A 35 24.834 13.367 -3.779 1.00 0.00 H new ATOM 0 HE1 PHE A 35 21.364 10.350 -5.654 1.00 0.00 H new ATOM 0 HE2 PHE A 35 25.392 11.863 -5.679 1.00 0.00 H new ATOM 0 HZ PHE A 35 23.654 10.348 -6.610 1.00 0.00 H new ATOM 558 N LYS A 36 24.202 11.152 -1.206 1.00 0.00 N ATOM 559 CA LYS A 36 25.495 10.473 -1.248 1.00 0.00 C ATOM 560 C LYS A 36 25.646 9.721 -2.564 1.00 0.00 C ATOM 561 O LYS A 36 26.606 9.995 -3.283 1.00 0.00 O ATOM 562 CB LYS A 36 25.669 9.515 -0.053 1.00 0.00 C ATOM 563 CG LYS A 36 25.594 10.186 1.329 1.00 0.00 C ATOM 564 CD LYS A 36 26.760 11.116 1.683 1.00 0.00 C ATOM 565 CE LYS A 36 28.076 10.337 1.717 1.00 0.00 C ATOM 566 NZ LYS A 36 29.229 11.187 2.107 1.00 0.00 N ATOM 0 H LYS A 36 23.415 10.535 -1.407 1.00 0.00 H new ATOM 0 HA LYS A 36 26.277 11.229 -1.178 1.00 0.00 H new ATOM 0 HB2 LYS A 36 24.901 8.744 -0.109 1.00 0.00 H new ATOM 0 HB3 LYS A 36 26.632 9.013 -0.145 1.00 0.00 H new ATOM 0 HG2 LYS A 36 24.668 10.758 1.384 1.00 0.00 H new ATOM 0 HG3 LYS A 36 25.533 9.406 2.088 1.00 0.00 H new ATOM 0 HD2 LYS A 36 26.826 11.921 0.951 1.00 0.00 H new ATOM 0 HD3 LYS A 36 26.581 11.581 2.652 1.00 0.00 H new ATOM 0 HE2 LYS A 36 27.986 9.508 2.419 1.00 0.00 H new ATOM 0 HE3 LYS A 36 28.264 9.904 0.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 30.096 10.613 2.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 29.334 11.964 1.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 29.065 11.580 3.056 1.00 0.00 H new ATOM 580 N GLU A 37 24.742 8.789 -2.892 1.00 0.00 N ATOM 581 CA GLU A 37 24.935 7.906 -4.051 1.00 0.00 C ATOM 582 C GLU A 37 23.609 7.268 -4.494 1.00 0.00 C ATOM 583 O GLU A 37 22.633 7.291 -3.744 1.00 0.00 O ATOM 584 CB GLU A 37 25.979 6.827 -3.660 1.00 0.00 C ATOM 585 CG GLU A 37 26.471 5.958 -4.828 1.00 0.00 C ATOM 586 CD GLU A 37 27.788 5.231 -4.502 1.00 0.00 C ATOM 587 OE1 GLU A 37 27.738 4.108 -3.951 1.00 0.00 O ATOM 588 OE2 GLU A 37 28.878 5.769 -4.803 1.00 0.00 O ATOM 0 H GLU A 37 23.877 8.627 -2.377 1.00 0.00 H new ATOM 0 HA GLU A 37 25.298 8.483 -4.902 1.00 0.00 H new ATOM 0 HB2 GLU A 37 26.838 7.320 -3.204 1.00 0.00 H new ATOM 0 HB3 GLU A 37 25.544 6.178 -2.900 1.00 0.00 H new ATOM 0 HG2 GLU A 37 25.706 5.223 -5.079 1.00 0.00 H new ATOM 0 HG3 GLU A 37 26.613 6.584 -5.709 1.00 0.00 H new ATOM 595 N VAL A 38 23.575 6.667 -5.690 1.00 0.00 N ATOM 596 CA VAL A 38 22.479 5.817 -6.161 1.00 0.00 C ATOM 597 C VAL A 38 23.101 4.558 -6.767 1.00 0.00 C ATOM 598 O VAL A 38 24.256 4.578 -7.204 1.00 0.00 O ATOM 599 CB VAL A 38 21.516 6.515 -7.155 1.00 0.00 C ATOM 600 CG1 VAL A 38 21.164 7.942 -6.733 1.00 0.00 C ATOM 601 CG2 VAL A 38 22.040 6.544 -8.595 1.00 0.00 C ATOM 0 H VAL A 38 24.328 6.762 -6.372 1.00 0.00 H new ATOM 0 HA VAL A 38 21.844 5.570 -5.310 1.00 0.00 H new ATOM 0 HB VAL A 38 20.617 5.899 -7.128 1.00 0.00 H new ATOM 0 HG11 VAL A 38 20.487 8.382 -7.466 1.00 0.00 H new ATOM 0 HG12 VAL A 38 20.680 7.924 -5.757 1.00 0.00 H new ATOM 0 HG13 VAL A 38 22.074 8.539 -6.675 1.00 0.00 H new ATOM 0 HG21 VAL A 38 21.316 7.047 -9.236 1.00 0.00 H new ATOM 0 HG22 VAL A 38 22.988 7.082 -8.627 1.00 0.00 H new ATOM 0 HG23 VAL A 38 22.190 5.524 -8.948 1.00 0.00 H new ATOM 611 N ARG A 39 22.340 3.464 -6.810 1.00 0.00 N ATOM 612 CA ARG A 39 22.795 2.160 -7.276 1.00 0.00 C ATOM 613 C ARG A 39 21.636 1.566 -8.067 1.00 0.00 C ATOM 614 O ARG A 39 20.678 1.056 -7.481 1.00 0.00 O ATOM 615 CB ARG A 39 23.257 1.286 -6.085 1.00 0.00 C ATOM 616 CG ARG A 39 24.372 1.967 -5.267 1.00 0.00 C ATOM 617 CD ARG A 39 24.880 1.162 -4.069 1.00 0.00 C ATOM 618 NE ARG A 39 25.823 1.995 -3.299 1.00 0.00 N ATOM 619 CZ ARG A 39 25.706 2.416 -2.034 1.00 0.00 C ATOM 620 NH1 ARG A 39 24.761 1.964 -1.215 1.00 0.00 N ATOM 621 NH2 ARG A 39 26.561 3.332 -1.611 1.00 0.00 N ATOM 0 H ARG A 39 21.364 3.464 -6.513 1.00 0.00 H new ATOM 0 HA ARG A 39 23.671 2.228 -7.921 1.00 0.00 H new ATOM 0 HB2 ARG A 39 22.406 1.079 -5.436 1.00 0.00 H new ATOM 0 HB3 ARG A 39 23.615 0.326 -6.457 1.00 0.00 H new ATOM 0 HG2 ARG A 39 25.213 2.174 -5.929 1.00 0.00 H new ATOM 0 HG3 ARG A 39 24.004 2.929 -4.909 1.00 0.00 H new ATOM 0 HD2 ARG A 39 24.045 0.857 -3.438 1.00 0.00 H new ATOM 0 HD3 ARG A 39 25.372 0.251 -4.409 1.00 0.00 H new ATOM 0 HE ARG A 39 26.668 2.286 -3.791 1.00 0.00 H new ATOM 0 HH11 ARG A 39 24.090 1.270 -1.544 1.00 0.00 H new ATOM 0 HH12 ARG A 39 24.707 2.311 -0.258 1.00 0.00 H new ATOM 0 HH21 ARG A 39 27.277 3.692 -2.242 1.00 0.00 H new ATOM 0 HH22 ARG A 39 26.505 3.679 -0.653 1.00 0.00 H new ATOM 635 N LEU A 40 21.659 1.743 -9.389 1.00 0.00 N ATOM 636 CA LEU A 40 20.712 1.124 -10.312 1.00 0.00 C ATOM 637 C LEU A 40 20.928 -0.389 -10.301 1.00 0.00 C ATOM 638 O LEU A 40 21.948 -0.893 -9.823 1.00 0.00 O ATOM 639 CB LEU A 40 20.918 1.686 -11.744 1.00 0.00 C ATOM 640 CG LEU A 40 20.027 2.880 -12.142 1.00 0.00 C ATOM 641 CD1 LEU A 40 18.566 2.456 -12.319 1.00 0.00 C ATOM 642 CD2 LEU A 40 20.156 4.061 -11.175 1.00 0.00 C ATOM 0 H LEU A 40 22.350 2.332 -9.855 1.00 0.00 H new ATOM 0 HA LEU A 40 19.693 1.349 -9.999 1.00 0.00 H new ATOM 0 HB2 LEU A 40 21.960 1.987 -11.847 1.00 0.00 H new ATOM 0 HB3 LEU A 40 20.748 0.879 -12.457 1.00 0.00 H new ATOM 0 HG LEU A 40 20.391 3.230 -13.108 1.00 0.00 H new ATOM 0 HD11 LEU A 40 17.967 3.323 -12.599 1.00 0.00 H new ATOM 0 HD12 LEU A 40 18.499 1.700 -13.101 1.00 0.00 H new ATOM 0 HD13 LEU A 40 18.191 2.043 -11.382 1.00 0.00 H new ATOM 0 HD21 LEU A 40 19.507 4.873 -11.504 1.00 0.00 H new ATOM 0 HD22 LEU A 40 19.863 3.745 -10.174 1.00 0.00 H new ATOM 0 HD23 LEU A 40 21.190 4.407 -11.159 1.00 0.00 H new ATOM 654 N VAL A 41 19.990 -1.099 -10.919 1.00 0.00 N ATOM 655 CA VAL A 41 20.100 -2.520 -11.213 1.00 0.00 C ATOM 656 C VAL A 41 20.110 -2.609 -12.739 1.00 0.00 C ATOM 657 O VAL A 41 19.037 -2.714 -13.332 1.00 0.00 O ATOM 658 CB VAL A 41 18.990 -3.306 -10.485 1.00 0.00 C ATOM 659 CG1 VAL A 41 19.116 -4.812 -10.749 1.00 0.00 C ATOM 660 CG2 VAL A 41 19.065 -3.078 -8.963 1.00 0.00 C ATOM 0 H VAL A 41 19.111 -0.690 -11.236 1.00 0.00 H new ATOM 0 HA VAL A 41 21.009 -2.991 -10.839 1.00 0.00 H new ATOM 0 HB VAL A 41 18.037 -2.943 -10.870 1.00 0.00 H new ATOM 0 HG11 VAL A 41 18.321 -5.341 -10.224 1.00 0.00 H new ATOM 0 HG12 VAL A 41 19.033 -5.002 -11.819 1.00 0.00 H new ATOM 0 HG13 VAL A 41 20.084 -5.164 -10.392 1.00 0.00 H new ATOM 0 HG21 VAL A 41 18.273 -3.642 -8.471 1.00 0.00 H new ATOM 0 HG22 VAL A 41 20.033 -3.414 -8.592 1.00 0.00 H new ATOM 0 HG23 VAL A 41 18.942 -2.017 -8.748 1.00 0.00 H new ATOM 722 N HIS A 45 16.604 -2.026 -14.646 1.00 0.00 N ATOM 723 CA HIS A 45 16.439 -0.569 -14.714 1.00 0.00 C ATOM 724 C HIS A 45 15.160 -0.013 -14.064 1.00 0.00 C ATOM 725 O HIS A 45 15.132 1.178 -13.771 1.00 0.00 O ATOM 726 CB HIS A 45 16.594 -0.056 -16.157 1.00 0.00 C ATOM 727 CG HIS A 45 17.932 -0.368 -16.780 1.00 0.00 C ATOM 728 ND1 HIS A 45 19.019 0.475 -16.840 1.00 0.00 N ATOM 729 CD2 HIS A 45 18.288 -1.525 -17.421 1.00 0.00 C ATOM 730 CE1 HIS A 45 20.003 -0.156 -17.500 1.00 0.00 C ATOM 731 NE2 HIS A 45 19.607 -1.388 -17.873 1.00 0.00 N ATOM 0 HA HIS A 45 17.250 -0.178 -14.099 1.00 0.00 H new ATOM 0 HB2 HIS A 45 15.808 -0.492 -16.773 1.00 0.00 H new ATOM 0 HB3 HIS A 45 16.444 1.024 -16.166 1.00 0.00 H new ATOM 0 HD1 HIS A 45 19.068 1.416 -16.450 1.00 0.00 H new ATOM 0 HD2 HIS A 45 17.660 -2.393 -17.555 1.00 0.00 H new ATOM 0 HE1 HIS A 45 20.976 0.265 -17.703 1.00 0.00 H new ATOM 739 N ASP A 46 14.134 -0.827 -13.784 1.00 0.00 N ATOM 740 CA ASP A 46 12.872 -0.389 -13.181 1.00 0.00 C ATOM 741 C ASP A 46 13.059 -0.020 -11.710 1.00 0.00 C ATOM 742 O ASP A 46 12.202 0.636 -11.124 1.00 0.00 O ATOM 743 CB ASP A 46 11.822 -1.503 -13.300 1.00 0.00 C ATOM 744 CG ASP A 46 10.436 -1.054 -12.794 1.00 0.00 C ATOM 745 OD1 ASP A 46 9.686 -0.447 -13.588 1.00 0.00 O ATOM 746 OD2 ASP A 46 10.065 -1.362 -11.637 1.00 0.00 O ATOM 0 H ASP A 46 14.160 -1.829 -13.975 1.00 0.00 H new ATOM 0 HA ASP A 46 12.533 0.497 -13.717 1.00 0.00 H new ATOM 0 HB2 ASP A 46 11.743 -1.816 -14.341 1.00 0.00 H new ATOM 0 HB3 ASP A 46 12.151 -2.372 -12.730 1.00 0.00 H new ATOM 751 N ILE A 47 14.179 -0.431 -11.110 1.00 0.00 N ATOM 752 CA ILE A 47 14.432 -0.357 -9.686 1.00 0.00 C ATOM 753 C ILE A 47 15.828 0.211 -9.426 1.00 0.00 C ATOM 754 O ILE A 47 16.717 0.120 -10.280 1.00 0.00 O ATOM 755 CB ILE A 47 14.277 -1.766 -9.078 1.00 0.00 C ATOM 756 CG1 ILE A 47 15.449 -2.656 -9.549 1.00 0.00 C ATOM 757 CG2 ILE A 47 12.896 -2.362 -9.410 1.00 0.00 C ATOM 758 CD1 ILE A 47 15.255 -4.143 -9.324 1.00 0.00 C ATOM 0 H ILE A 47 14.957 -0.838 -11.630 1.00 0.00 H new ATOM 0 HA ILE A 47 13.713 0.312 -9.213 1.00 0.00 H new ATOM 0 HB ILE A 47 14.322 -1.707 -7.991 1.00 0.00 H new ATOM 0 HG12 ILE A 47 15.612 -2.483 -10.613 1.00 0.00 H new ATOM 0 HG13 ILE A 47 16.355 -2.341 -9.032 1.00 0.00 H new ATOM 0 HG21 ILE A 47 12.813 -3.356 -8.969 1.00 0.00 H new ATOM 0 HG22 ILE A 47 12.115 -1.719 -9.004 1.00 0.00 H new ATOM 0 HG23 ILE A 47 12.781 -2.434 -10.492 1.00 0.00 H new ATOM 0 HD11 ILE A 47 16.130 -4.683 -9.687 1.00 0.00 H new ATOM 0 HD12 ILE A 47 15.125 -4.336 -8.259 1.00 0.00 H new ATOM 0 HD13 ILE A 47 14.370 -4.480 -9.864 1.00 0.00 H new ATOM 770 N ALA A 48 16.027 0.751 -8.227 1.00 0.00 N ATOM 771 CA ALA A 48 17.307 1.299 -7.786 1.00 0.00 C ATOM 772 C ALA A 48 17.337 1.389 -6.267 1.00 0.00 C ATOM 773 O ALA A 48 16.329 1.174 -5.595 1.00 0.00 O ATOM 774 CB ALA A 48 17.515 2.708 -8.367 1.00 0.00 C ATOM 0 H ALA A 48 15.292 0.821 -7.523 1.00 0.00 H new ATOM 0 HA ALA A 48 18.101 0.639 -8.136 1.00 0.00 H new ATOM 0 HB1 ALA A 48 18.473 3.103 -8.029 1.00 0.00 H new ATOM 0 HB2 ALA A 48 17.507 2.657 -9.456 1.00 0.00 H new ATOM 0 HB3 ALA A 48 16.713 3.363 -8.028 1.00 0.00 H new ATOM 780 N PHE A 49 18.490 1.789 -5.746 1.00 0.00 N ATOM 781 CA PHE A 49 18.684 2.166 -4.359 1.00 0.00 C ATOM 782 C PHE A 49 19.275 3.570 -4.385 1.00 0.00 C ATOM 783 O PHE A 49 19.992 3.924 -5.324 1.00 0.00 O ATOM 784 CB PHE A 49 19.618 1.189 -3.633 1.00 0.00 C ATOM 785 CG PHE A 49 19.055 -0.202 -3.403 1.00 0.00 C ATOM 786 CD1 PHE A 49 19.121 -1.173 -4.421 1.00 0.00 C ATOM 787 CD2 PHE A 49 18.496 -0.535 -2.154 1.00 0.00 C ATOM 788 CE1 PHE A 49 18.629 -2.472 -4.192 1.00 0.00 C ATOM 789 CE2 PHE A 49 18.019 -1.837 -1.919 1.00 0.00 C ATOM 790 CZ PHE A 49 18.086 -2.806 -2.937 1.00 0.00 C ATOM 0 H PHE A 49 19.343 1.861 -6.300 1.00 0.00 H new ATOM 0 HA PHE A 49 17.741 2.139 -3.813 1.00 0.00 H new ATOM 0 HB2 PHE A 49 20.540 1.099 -4.208 1.00 0.00 H new ATOM 0 HB3 PHE A 49 19.885 1.618 -2.667 1.00 0.00 H new ATOM 0 HD1 PHE A 49 19.550 -0.921 -5.379 1.00 0.00 H new ATOM 0 HD2 PHE A 49 18.434 0.211 -1.375 1.00 0.00 H new ATOM 0 HE1 PHE A 49 18.668 -3.211 -4.978 1.00 0.00 H new ATOM 0 HE2 PHE A 49 17.601 -2.093 -0.957 1.00 0.00 H new ATOM 0 HZ PHE A 49 17.721 -3.806 -2.755 1.00 0.00 H new ATOM 800 N VAL A 50 18.991 4.367 -3.362 1.00 0.00 N ATOM 801 CA VAL A 50 19.486 5.726 -3.201 1.00 0.00 C ATOM 802 C VAL A 50 19.973 5.815 -1.755 1.00 0.00 C ATOM 803 O VAL A 50 19.342 5.261 -0.855 1.00 0.00 O ATOM 804 CB VAL A 50 18.359 6.723 -3.557 1.00 0.00 C ATOM 805 CG1 VAL A 50 18.755 8.178 -3.284 1.00 0.00 C ATOM 806 CG2 VAL A 50 17.932 6.583 -5.025 1.00 0.00 C ATOM 0 H VAL A 50 18.387 4.072 -2.594 1.00 0.00 H new ATOM 0 HA VAL A 50 20.311 5.980 -3.866 1.00 0.00 H new ATOM 0 HB VAL A 50 17.520 6.470 -2.909 1.00 0.00 H new ATOM 0 HG11 VAL A 50 17.928 8.836 -3.551 1.00 0.00 H new ATOM 0 HG12 VAL A 50 18.988 8.299 -2.226 1.00 0.00 H new ATOM 0 HG13 VAL A 50 19.631 8.435 -3.880 1.00 0.00 H new ATOM 0 HG21 VAL A 50 17.138 7.298 -5.243 1.00 0.00 H new ATOM 0 HG22 VAL A 50 18.786 6.780 -5.673 1.00 0.00 H new ATOM 0 HG23 VAL A 50 17.568 5.571 -5.203 1.00 0.00 H new ATOM 816 N GLU A 51 21.102 6.477 -1.526 1.00 0.00 N ATOM 817 CA GLU A 51 21.803 6.506 -0.255 1.00 0.00 C ATOM 818 C GLU A 51 22.143 7.955 0.066 1.00 0.00 C ATOM 819 O GLU A 51 22.525 8.733 -0.821 1.00 0.00 O ATOM 820 CB GLU A 51 23.050 5.616 -0.344 1.00 0.00 C ATOM 821 CG GLU A 51 23.881 5.671 0.943 1.00 0.00 C ATOM 822 CD GLU A 51 24.963 4.582 0.939 1.00 0.00 C ATOM 823 OE1 GLU A 51 24.637 3.393 1.149 1.00 0.00 O ATOM 824 OE2 GLU A 51 26.144 4.885 0.658 1.00 0.00 O ATOM 0 H GLU A 51 21.568 7.026 -2.248 1.00 0.00 H new ATOM 0 HA GLU A 51 21.185 6.113 0.552 1.00 0.00 H new ATOM 0 HB2 GLU A 51 22.749 4.587 -0.539 1.00 0.00 H new ATOM 0 HB3 GLU A 51 23.664 5.933 -1.187 1.00 0.00 H new ATOM 0 HG2 GLU A 51 24.346 6.652 1.039 1.00 0.00 H new ATOM 0 HG3 GLU A 51 23.230 5.540 1.808 1.00 0.00 H new ATOM 831 N PHE A 52 21.987 8.291 1.346 1.00 0.00 N ATOM 832 CA PHE A 52 22.024 9.634 1.890 1.00 0.00 C ATOM 833 C PHE A 52 22.816 9.663 3.203 1.00 0.00 C ATOM 834 O PHE A 52 23.107 8.633 3.819 1.00 0.00 O ATOM 835 CB PHE A 52 20.574 10.086 2.127 1.00 0.00 C ATOM 836 CG PHE A 52 19.993 10.982 1.057 1.00 0.00 C ATOM 837 CD1 PHE A 52 19.762 10.478 -0.234 1.00 0.00 C ATOM 838 CD2 PHE A 52 19.661 12.315 1.358 1.00 0.00 C ATOM 839 CE1 PHE A 52 19.257 11.317 -1.237 1.00 0.00 C ATOM 840 CE2 PHE A 52 19.147 13.155 0.356 1.00 0.00 C ATOM 841 CZ PHE A 52 18.967 12.661 -0.947 1.00 0.00 C ATOM 0 H PHE A 52 21.822 7.588 2.066 1.00 0.00 H new ATOM 0 HA PHE A 52 22.521 10.308 1.192 1.00 0.00 H new ATOM 0 HB2 PHE A 52 19.945 9.200 2.217 1.00 0.00 H new ATOM 0 HB3 PHE A 52 20.526 10.610 3.082 1.00 0.00 H new ATOM 0 HD1 PHE A 52 19.974 9.442 -0.454 1.00 0.00 H new ATOM 0 HD2 PHE A 52 19.801 12.693 2.360 1.00 0.00 H new ATOM 0 HE1 PHE A 52 19.091 10.931 -2.232 1.00 0.00 H new ATOM 0 HE2 PHE A 52 18.891 14.178 0.587 1.00 0.00 H new ATOM 0 HZ PHE A 52 18.605 13.315 -1.727 1.00 0.00 H new ATOM 851 N THR A 53 23.148 10.880 3.622 1.00 0.00 N ATOM 852 CA THR A 53 23.888 11.215 4.828 1.00 0.00 C ATOM 853 C THR A 53 23.104 10.811 6.076 1.00 0.00 C ATOM 854 O THR A 53 23.654 10.161 6.967 1.00 0.00 O ATOM 855 CB THR A 53 24.119 12.741 4.832 1.00 0.00 C ATOM 856 OG1 THR A 53 24.877 13.141 3.707 1.00 0.00 O ATOM 857 CG2 THR A 53 24.817 13.231 6.103 1.00 0.00 C ATOM 0 H THR A 53 22.889 11.711 3.091 1.00 0.00 H new ATOM 0 HA THR A 53 24.836 10.678 4.839 1.00 0.00 H new ATOM 0 HB THR A 53 23.129 13.195 4.794 1.00 0.00 H new ATOM 0 HG1 THR A 53 24.317 13.099 2.904 1.00 0.00 H new ATOM 0 HG21 THR A 53 24.953 14.311 6.050 1.00 0.00 H new ATOM 0 HG22 THR A 53 24.206 12.984 6.972 1.00 0.00 H new ATOM 0 HG23 THR A 53 25.789 12.747 6.194 1.00 0.00 H new ATOM 865 N THR A 54 21.827 11.189 6.133 1.00 0.00 N ATOM 866 CA THR A 54 21.025 11.086 7.336 1.00 0.00 C ATOM 867 C THR A 54 19.604 10.678 6.988 1.00 0.00 C ATOM 868 O THR A 54 19.075 10.982 5.915 1.00 0.00 O ATOM 869 CB THR A 54 21.062 12.430 8.101 1.00 0.00 C ATOM 870 OG1 THR A 54 21.337 13.540 7.251 1.00 0.00 O ATOM 871 CG2 THR A 54 22.128 12.408 9.195 1.00 0.00 C ATOM 0 H THR A 54 21.323 11.577 5.336 1.00 0.00 H new ATOM 0 HA THR A 54 21.437 10.314 7.985 1.00 0.00 H new ATOM 0 HB THR A 54 20.068 12.550 8.531 1.00 0.00 H new ATOM 0 HG1 THR A 54 21.348 14.364 7.782 1.00 0.00 H new ATOM 0 HG21 THR A 54 22.133 13.365 9.717 1.00 0.00 H new ATOM 0 HG22 THR A 54 21.907 11.609 9.903 1.00 0.00 H new ATOM 0 HG23 THR A 54 23.106 12.234 8.746 1.00 0.00 H new ATOM 879 N GLU A 55 18.989 9.976 7.930 1.00 0.00 N ATOM 880 CA GLU A 55 17.660 9.390 7.809 1.00 0.00 C ATOM 881 C GLU A 55 16.614 10.481 7.556 1.00 0.00 C ATOM 882 O GLU A 55 15.714 10.301 6.738 1.00 0.00 O ATOM 883 CB GLU A 55 17.301 8.595 9.080 1.00 0.00 C ATOM 884 CG GLU A 55 18.351 7.572 9.551 1.00 0.00 C ATOM 885 CD GLU A 55 19.336 8.149 10.587 1.00 0.00 C ATOM 886 OE1 GLU A 55 20.210 8.961 10.212 1.00 0.00 O ATOM 887 OE2 GLU A 55 19.246 7.783 11.782 1.00 0.00 O ATOM 0 H GLU A 55 19.419 9.791 8.836 1.00 0.00 H new ATOM 0 HA GLU A 55 17.664 8.706 6.960 1.00 0.00 H new ATOM 0 HB2 GLU A 55 17.122 9.303 9.890 1.00 0.00 H new ATOM 0 HB3 GLU A 55 16.363 8.069 8.904 1.00 0.00 H new ATOM 0 HG2 GLU A 55 17.842 6.711 9.983 1.00 0.00 H new ATOM 0 HG3 GLU A 55 18.911 7.211 8.688 1.00 0.00 H new ATOM 894 N LEU A 56 16.747 11.633 8.222 1.00 0.00 N ATOM 895 CA LEU A 56 15.798 12.739 8.097 1.00 0.00 C ATOM 896 C LEU A 56 15.880 13.368 6.705 1.00 0.00 C ATOM 897 O LEU A 56 14.845 13.699 6.127 1.00 0.00 O ATOM 898 CB LEU A 56 16.057 13.805 9.179 1.00 0.00 C ATOM 899 CG LEU A 56 15.324 13.544 10.511 1.00 0.00 C ATOM 900 CD1 LEU A 56 15.736 12.229 11.188 1.00 0.00 C ATOM 901 CD2 LEU A 56 15.588 14.705 11.477 1.00 0.00 C ATOM 0 H LEU A 56 17.517 11.823 8.863 1.00 0.00 H new ATOM 0 HA LEU A 56 14.794 12.339 8.238 1.00 0.00 H new ATOM 0 HB2 LEU A 56 17.129 13.859 9.371 1.00 0.00 H new ATOM 0 HB3 LEU A 56 15.753 14.779 8.794 1.00 0.00 H new ATOM 0 HG LEU A 56 14.264 13.463 10.271 1.00 0.00 H new ATOM 0 HD11 LEU A 56 15.182 12.110 12.119 1.00 0.00 H new ATOM 0 HD12 LEU A 56 15.515 11.393 10.524 1.00 0.00 H new ATOM 0 HD13 LEU A 56 16.805 12.249 11.402 1.00 0.00 H new ATOM 0 HD21 LEU A 56 15.070 14.520 12.418 1.00 0.00 H new ATOM 0 HD22 LEU A 56 16.659 14.788 11.662 1.00 0.00 H new ATOM 0 HD23 LEU A 56 15.223 15.634 11.038 1.00 0.00 H new ATOM 913 N GLN A 57 17.086 13.515 6.146 1.00 0.00 N ATOM 914 CA GLN A 57 17.237 14.067 4.801 1.00 0.00 C ATOM 915 C GLN A 57 16.730 13.065 3.763 1.00 0.00 C ATOM 916 O GLN A 57 16.053 13.458 2.815 1.00 0.00 O ATOM 917 CB GLN A 57 18.693 14.468 4.533 1.00 0.00 C ATOM 918 CG GLN A 57 19.156 15.556 5.513 1.00 0.00 C ATOM 919 CD GLN A 57 20.391 16.282 4.991 1.00 0.00 C ATOM 920 OE1 GLN A 57 20.288 17.331 4.363 1.00 0.00 O ATOM 921 NE2 GLN A 57 21.576 15.736 5.205 1.00 0.00 N ATOM 0 H GLN A 57 17.963 13.261 6.601 1.00 0.00 H new ATOM 0 HA GLN A 57 16.634 14.972 4.723 1.00 0.00 H new ATOM 0 HB2 GLN A 57 19.337 13.593 4.625 1.00 0.00 H new ATOM 0 HB3 GLN A 57 18.791 14.830 3.510 1.00 0.00 H new ATOM 0 HG2 GLN A 57 18.350 16.273 5.672 1.00 0.00 H new ATOM 0 HG3 GLN A 57 19.378 15.106 6.481 1.00 0.00 H new ATOM 0 HE21 GLN A 57 21.649 14.864 5.729 1.00 0.00 H new ATOM 0 HE22 GLN A 57 22.418 16.187 4.847 1.00 0.00 H new ATOM 930 N SER A 58 16.989 11.773 3.982 1.00 0.00 N ATOM 931 CA SER A 58 16.425 10.692 3.179 1.00 0.00 C ATOM 932 C SER A 58 14.900 10.771 3.170 1.00 0.00 C ATOM 933 O SER A 58 14.289 10.713 2.104 1.00 0.00 O ATOM 934 CB SER A 58 16.864 9.337 3.737 1.00 0.00 C ATOM 935 OG SER A 58 18.258 9.333 3.928 1.00 0.00 O ATOM 0 H SER A 58 17.602 11.448 4.729 1.00 0.00 H new ATOM 0 HA SER A 58 16.791 10.797 2.158 1.00 0.00 H new ATOM 0 HB2 SER A 58 16.357 9.140 4.682 1.00 0.00 H new ATOM 0 HB3 SER A 58 16.579 8.540 3.050 1.00 0.00 H new ATOM 0 HG SER A 58 18.477 9.818 4.751 1.00 0.00 H new ATOM 941 N ASN A 59 14.287 10.948 4.345 1.00 0.00 N ATOM 942 CA ASN A 59 12.846 11.093 4.481 1.00 0.00 C ATOM 943 C ASN A 59 12.344 12.296 3.696 1.00 0.00 C ATOM 944 O ASN A 59 11.406 12.160 2.919 1.00 0.00 O ATOM 945 CB ASN A 59 12.449 11.196 5.960 1.00 0.00 C ATOM 946 CG ASN A 59 10.969 11.534 6.123 1.00 0.00 C ATOM 947 OD1 ASN A 59 10.096 10.802 5.672 1.00 0.00 O ATOM 948 ND2 ASN A 59 10.659 12.641 6.775 1.00 0.00 N ATOM 0 H ASN A 59 14.788 10.994 5.233 1.00 0.00 H new ATOM 0 HA ASN A 59 12.374 10.203 4.065 1.00 0.00 H new ATOM 0 HB2 ASN A 59 12.665 10.253 6.462 1.00 0.00 H new ATOM 0 HB3 ASN A 59 13.053 11.961 6.447 1.00 0.00 H new ATOM 0 HD21 ASN A 59 9.681 12.897 6.909 1.00 0.00 H new ATOM 0 HD22 ASN A 59 11.398 13.239 7.144 1.00 0.00 H new ATOM 955 N ALA A 60 12.983 13.454 3.841 1.00 0.00 N ATOM 956 CA ALA A 60 12.567 14.656 3.128 1.00 0.00 C ATOM 957 C ALA A 60 12.647 14.465 1.609 1.00 0.00 C ATOM 958 O ALA A 60 11.716 14.833 0.895 1.00 0.00 O ATOM 959 CB ALA A 60 13.398 15.853 3.591 1.00 0.00 C ATOM 0 H ALA A 60 13.793 13.584 4.448 1.00 0.00 H new ATOM 0 HA ALA A 60 11.521 14.853 3.364 1.00 0.00 H new ATOM 0 HB1 ALA A 60 13.080 16.746 3.053 1.00 0.00 H new ATOM 0 HB2 ALA A 60 13.255 16.003 4.661 1.00 0.00 H new ATOM 0 HB3 ALA A 60 14.452 15.664 3.389 1.00 0.00 H new ATOM 965 N ALA A 61 13.727 13.856 1.118 1.00 0.00 N ATOM 966 CA ALA A 61 13.903 13.576 -0.303 1.00 0.00 C ATOM 967 C ALA A 61 12.849 12.580 -0.806 1.00 0.00 C ATOM 968 O ALA A 61 12.277 12.766 -1.880 1.00 0.00 O ATOM 969 CB ALA A 61 15.311 13.034 -0.552 1.00 0.00 C ATOM 0 H ALA A 61 14.505 13.543 1.698 1.00 0.00 H new ATOM 0 HA ALA A 61 13.773 14.506 -0.857 1.00 0.00 H new ATOM 0 HB1 ALA A 61 15.438 12.826 -1.614 1.00 0.00 H new ATOM 0 HB2 ALA A 61 16.047 13.774 -0.236 1.00 0.00 H new ATOM 0 HB3 ALA A 61 15.453 12.115 0.017 1.00 0.00 H new ATOM 975 N LYS A 62 12.570 11.534 -0.022 1.00 0.00 N ATOM 976 CA LYS A 62 11.530 10.549 -0.299 1.00 0.00 C ATOM 977 C LYS A 62 10.178 11.250 -0.402 1.00 0.00 C ATOM 978 O LYS A 62 9.476 11.061 -1.392 1.00 0.00 O ATOM 979 CB LYS A 62 11.622 9.454 0.787 1.00 0.00 C ATOM 980 CG LYS A 62 10.510 8.396 0.866 1.00 0.00 C ATOM 981 CD LYS A 62 9.226 8.916 1.528 1.00 0.00 C ATOM 982 CE LYS A 62 8.365 7.753 2.018 1.00 0.00 C ATOM 983 NZ LYS A 62 6.977 8.181 2.282 1.00 0.00 N ATOM 0 H LYS A 62 13.076 11.348 0.844 1.00 0.00 H new ATOM 0 HA LYS A 62 11.662 10.053 -1.261 1.00 0.00 H new ATOM 0 HB2 LYS A 62 12.567 8.930 0.648 1.00 0.00 H new ATOM 0 HB3 LYS A 62 11.673 9.952 1.755 1.00 0.00 H new ATOM 0 HG2 LYS A 62 10.277 8.048 -0.140 1.00 0.00 H new ATOM 0 HG3 LYS A 62 10.876 7.535 1.425 1.00 0.00 H new ATOM 0 HD2 LYS A 62 9.480 9.566 2.365 1.00 0.00 H new ATOM 0 HD3 LYS A 62 8.662 9.519 0.816 1.00 0.00 H new ATOM 0 HE2 LYS A 62 8.366 6.958 1.272 1.00 0.00 H new ATOM 0 HE3 LYS A 62 8.798 7.337 2.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 6.451 7.400 2.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 6.982 9.001 2.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 6.518 8.444 1.386 1.00 0.00 H new ATOM 997 N GLU A 63 9.812 12.081 0.573 1.00 0.00 N ATOM 998 CA GLU A 63 8.536 12.792 0.568 1.00 0.00 C ATOM 999 C GLU A 63 8.441 13.712 -0.656 1.00 0.00 C ATOM 1000 O GLU A 63 7.378 13.820 -1.271 1.00 0.00 O ATOM 1001 CB GLU A 63 8.372 13.604 1.866 1.00 0.00 C ATOM 1002 CG GLU A 63 8.163 12.753 3.129 1.00 0.00 C ATOM 1003 CD GLU A 63 6.802 12.033 3.165 1.00 0.00 C ATOM 1004 OE1 GLU A 63 5.752 12.709 3.254 1.00 0.00 O ATOM 1005 OE2 GLU A 63 6.777 10.781 3.134 1.00 0.00 O ATOM 0 H GLU A 63 10.392 12.280 1.388 1.00 0.00 H new ATOM 0 HA GLU A 63 7.730 12.060 0.513 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.256 14.226 2.005 1.00 0.00 H new ATOM 0 HB3 GLU A 63 7.523 14.278 1.753 1.00 0.00 H new ATOM 0 HG2 GLU A 63 8.959 12.012 3.194 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.250 13.393 4.007 1.00 0.00 H new ATOM 1012 N ALA A 64 9.554 14.354 -1.025 1.00 0.00 N ATOM 1013 CA ALA A 64 9.619 15.285 -2.141 1.00 0.00 C ATOM 1014 C ALA A 64 9.445 14.587 -3.494 1.00 0.00 C ATOM 1015 O ALA A 64 8.757 15.130 -4.361 1.00 0.00 O ATOM 1016 CB ALA A 64 10.959 16.023 -2.110 1.00 0.00 C ATOM 0 H ALA A 64 10.446 14.235 -0.545 1.00 0.00 H new ATOM 0 HA ALA A 64 8.795 15.990 -2.031 1.00 0.00 H new ATOM 0 HB1 ALA A 64 11.009 16.721 -2.946 1.00 0.00 H new ATOM 0 HB2 ALA A 64 11.051 16.572 -1.173 1.00 0.00 H new ATOM 0 HB3 ALA A 64 11.773 15.303 -2.190 1.00 0.00 H new ATOM 1022 N LEU A 65 10.059 13.412 -3.693 1.00 0.00 N ATOM 1023 CA LEU A 65 10.135 12.776 -5.013 1.00 0.00 C ATOM 1024 C LEU A 65 9.237 11.547 -5.156 1.00 0.00 C ATOM 1025 O LEU A 65 9.153 11.008 -6.261 1.00 0.00 O ATOM 1026 CB LEU A 65 11.597 12.458 -5.393 1.00 0.00 C ATOM 1027 CG LEU A 65 12.502 13.685 -5.623 1.00 0.00 C ATOM 1028 CD1 LEU A 65 13.892 13.219 -6.072 1.00 0.00 C ATOM 1029 CD2 LEU A 65 11.962 14.655 -6.684 1.00 0.00 C ATOM 0 H LEU A 65 10.513 12.881 -2.950 1.00 0.00 H new ATOM 0 HA LEU A 65 9.745 13.506 -5.722 1.00 0.00 H new ATOM 0 HB2 LEU A 65 12.035 11.847 -4.604 1.00 0.00 H new ATOM 0 HB3 LEU A 65 11.596 11.854 -6.300 1.00 0.00 H new ATOM 0 HG LEU A 65 12.538 14.218 -4.673 1.00 0.00 H new ATOM 0 HD11 LEU A 65 14.532 14.086 -6.235 1.00 0.00 H new ATOM 0 HD12 LEU A 65 14.330 12.585 -5.301 1.00 0.00 H new ATOM 0 HD13 LEU A 65 13.804 12.654 -7.000 1.00 0.00 H new ATOM 0 HD21 LEU A 65 12.649 15.494 -6.793 1.00 0.00 H new ATOM 0 HD22 LEU A 65 11.869 14.136 -7.638 1.00 0.00 H new ATOM 0 HD23 LEU A 65 10.984 15.025 -6.375 1.00 0.00 H new ATOM 1041 N GLN A 66 8.530 11.100 -4.111 1.00 0.00 N ATOM 1042 CA GLN A 66 7.498 10.080 -4.296 1.00 0.00 C ATOM 1043 C GLN A 66 6.490 10.579 -5.339 1.00 0.00 C ATOM 1044 O GLN A 66 5.953 11.685 -5.230 1.00 0.00 O ATOM 1045 CB GLN A 66 6.786 9.717 -2.980 1.00 0.00 C ATOM 1046 CG GLN A 66 7.455 8.524 -2.282 1.00 0.00 C ATOM 1047 CD GLN A 66 6.693 8.051 -1.041 1.00 0.00 C ATOM 1048 OE1 GLN A 66 6.102 8.836 -0.306 1.00 0.00 O ATOM 1049 NE2 GLN A 66 6.722 6.763 -0.741 1.00 0.00 N ATOM 0 H GLN A 66 8.651 11.421 -3.150 1.00 0.00 H new ATOM 0 HA GLN A 66 7.979 9.166 -4.646 1.00 0.00 H new ATOM 0 HB2 GLN A 66 6.792 10.579 -2.313 1.00 0.00 H new ATOM 0 HB3 GLN A 66 5.742 9.480 -3.185 1.00 0.00 H new ATOM 0 HG2 GLN A 66 7.538 7.697 -2.988 1.00 0.00 H new ATOM 0 HG3 GLN A 66 8.469 8.801 -1.995 1.00 0.00 H new ATOM 0 HE21 GLN A 66 7.213 6.108 -1.350 1.00 0.00 H new ATOM 0 HE22 GLN A 66 6.254 6.424 0.100 1.00 0.00 H new ATOM 1058 N GLY A 67 6.242 9.744 -6.347 1.00 0.00 N ATOM 1059 CA GLY A 67 5.317 10.013 -7.438 1.00 0.00 C ATOM 1060 C GLY A 67 5.881 10.942 -8.520 1.00 0.00 C ATOM 1061 O GLY A 67 5.139 11.306 -9.434 1.00 0.00 O ATOM 0 H GLY A 67 6.696 8.834 -6.426 1.00 0.00 H new ATOM 0 HA2 GLY A 67 5.030 9.068 -7.899 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.409 10.457 -7.030 1.00 0.00 H new ATOM 1065 N PHE A 68 7.155 11.349 -8.447 1.00 0.00 N ATOM 1066 CA PHE A 68 7.758 12.265 -9.407 1.00 0.00 C ATOM 1067 C PHE A 68 7.880 11.566 -10.758 1.00 0.00 C ATOM 1068 O PHE A 68 8.505 10.509 -10.845 1.00 0.00 O ATOM 1069 CB PHE A 68 9.133 12.709 -8.890 1.00 0.00 C ATOM 1070 CG PHE A 68 9.884 13.649 -9.811 1.00 0.00 C ATOM 1071 CD1 PHE A 68 9.653 15.036 -9.747 1.00 0.00 C ATOM 1072 CD2 PHE A 68 10.822 13.138 -10.728 1.00 0.00 C ATOM 1073 CE1 PHE A 68 10.359 15.908 -10.596 1.00 0.00 C ATOM 1074 CE2 PHE A 68 11.522 14.010 -11.578 1.00 0.00 C ATOM 1075 CZ PHE A 68 11.292 15.395 -11.512 1.00 0.00 C ATOM 0 H PHE A 68 7.795 11.046 -7.713 1.00 0.00 H new ATOM 0 HA PHE A 68 7.134 13.150 -9.529 1.00 0.00 H new ATOM 0 HB2 PHE A 68 9.002 13.197 -7.924 1.00 0.00 H new ATOM 0 HB3 PHE A 68 9.745 11.823 -8.720 1.00 0.00 H new ATOM 0 HD1 PHE A 68 8.933 15.431 -9.046 1.00 0.00 H new ATOM 0 HD2 PHE A 68 11.004 12.075 -10.778 1.00 0.00 H new ATOM 0 HE1 PHE A 68 10.183 16.972 -10.543 1.00 0.00 H new ATOM 0 HE2 PHE A 68 12.238 13.616 -12.284 1.00 0.00 H new ATOM 0 HZ PHE A 68 11.832 16.064 -12.165 1.00 0.00 H new ATOM 1085 N LYS A 69 7.307 12.141 -11.818 1.00 0.00 N ATOM 1086 CA LYS A 69 7.518 11.648 -13.182 1.00 0.00 C ATOM 1087 C LYS A 69 8.986 11.830 -13.532 1.00 0.00 C ATOM 1088 O LYS A 69 9.429 12.954 -13.773 1.00 0.00 O ATOM 1089 CB LYS A 69 6.635 12.373 -14.218 1.00 0.00 C ATOM 1090 CG LYS A 69 5.422 11.544 -14.656 1.00 0.00 C ATOM 1091 CD LYS A 69 4.372 11.335 -13.558 1.00 0.00 C ATOM 1092 CE LYS A 69 3.362 10.251 -13.965 1.00 0.00 C ATOM 1093 NZ LYS A 69 2.444 10.672 -15.054 1.00 0.00 N ATOM 0 H LYS A 69 6.691 12.952 -11.758 1.00 0.00 H new ATOM 0 HA LYS A 69 7.235 10.596 -13.215 1.00 0.00 H new ATOM 0 HB2 LYS A 69 6.290 13.317 -13.796 1.00 0.00 H new ATOM 0 HB3 LYS A 69 7.237 12.616 -15.093 1.00 0.00 H new ATOM 0 HG2 LYS A 69 4.949 12.035 -15.506 1.00 0.00 H new ATOM 0 HG3 LYS A 69 5.768 10.570 -15.002 1.00 0.00 H new ATOM 0 HD2 LYS A 69 4.864 11.049 -12.628 1.00 0.00 H new ATOM 0 HD3 LYS A 69 3.849 12.272 -13.366 1.00 0.00 H new ATOM 0 HE2 LYS A 69 3.905 9.361 -14.283 1.00 0.00 H new ATOM 0 HE3 LYS A 69 2.772 9.970 -13.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 1.507 10.248 -14.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 2.359 11.709 -15.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 2.823 10.355 -15.969 1.00 0.00 H new ATOM 1107 N ILE A 70 9.731 10.729 -13.577 1.00 0.00 N ATOM 1108 CA ILE A 70 11.087 10.740 -14.116 1.00 0.00 C ATOM 1109 C ILE A 70 10.910 10.951 -15.628 1.00 0.00 C ATOM 1110 O ILE A 70 11.559 11.819 -16.213 1.00 0.00 O ATOM 1111 CB ILE A 70 11.822 9.445 -13.747 1.00 0.00 C ATOM 1112 CG1 ILE A 70 11.891 9.254 -12.218 1.00 0.00 C ATOM 1113 CG2 ILE A 70 13.246 9.507 -14.315 1.00 0.00 C ATOM 1114 CD1 ILE A 70 12.239 7.819 -11.827 1.00 0.00 C ATOM 0 H ILE A 70 9.418 9.817 -13.246 1.00 0.00 H new ATOM 0 HA ILE A 70 11.713 11.531 -13.702 1.00 0.00 H new ATOM 0 HB ILE A 70 11.275 8.602 -14.169 1.00 0.00 H new ATOM 0 HG12 ILE A 70 12.637 9.932 -11.803 1.00 0.00 H new ATOM 0 HG13 ILE A 70 10.932 9.526 -11.777 1.00 0.00 H new ATOM 0 HG21 ILE A 70 13.780 8.592 -14.060 1.00 0.00 H new ATOM 0 HG22 ILE A 70 13.201 9.610 -15.399 1.00 0.00 H new ATOM 0 HG23 ILE A 70 13.770 10.363 -13.890 1.00 0.00 H new ATOM 0 HD11 ILE A 70 12.275 7.737 -10.741 1.00 0.00 H new ATOM 0 HD12 ILE A 70 11.480 7.141 -12.217 1.00 0.00 H new ATOM 0 HD13 ILE A 70 13.211 7.554 -12.244 1.00 0.00 H new ATOM 1126 N THR A 71 9.971 10.216 -16.234 1.00 0.00 N ATOM 1127 CA THR A 71 9.481 10.428 -17.590 1.00 0.00 C ATOM 1128 C THR A 71 7.950 10.364 -17.507 1.00 0.00 C ATOM 1129 O THR A 71 7.448 9.869 -16.494 1.00 0.00 O ATOM 1130 CB THR A 71 10.075 9.400 -18.567 1.00 0.00 C ATOM 1131 OG1 THR A 71 9.834 8.081 -18.127 1.00 0.00 O ATOM 1132 CG2 THR A 71 11.586 9.578 -18.755 1.00 0.00 C ATOM 0 H THR A 71 9.518 9.428 -15.771 1.00 0.00 H new ATOM 0 HA THR A 71 9.792 11.395 -17.985 1.00 0.00 H new ATOM 0 HB THR A 71 9.579 9.574 -19.522 1.00 0.00 H new ATOM 0 HG1 THR A 71 10.220 7.447 -18.767 1.00 0.00 H new ATOM 0 HG21 THR A 71 11.957 8.828 -19.454 1.00 0.00 H new ATOM 0 HG22 THR A 71 11.789 10.574 -19.150 1.00 0.00 H new ATOM 0 HG23 THR A 71 12.089 9.459 -17.795 1.00 0.00 H new ATOM 1140 N PRO A 72 7.193 10.859 -18.508 1.00 0.00 N ATOM 1141 CA PRO A 72 5.740 11.041 -18.434 1.00 0.00 C ATOM 1142 C PRO A 72 4.904 9.862 -17.921 1.00 0.00 C ATOM 1143 O PRO A 72 3.787 10.088 -17.450 1.00 0.00 O ATOM 1144 CB PRO A 72 5.305 11.444 -19.844 1.00 0.00 C ATOM 1145 CG PRO A 72 6.516 12.210 -20.361 1.00 0.00 C ATOM 1146 CD PRO A 72 7.687 11.440 -19.753 1.00 0.00 C ATOM 0 HA PRO A 72 5.547 11.795 -17.670 1.00 0.00 H new ATOM 0 HB2 PRO A 72 5.081 10.575 -20.463 1.00 0.00 H new ATOM 0 HB3 PRO A 72 4.409 12.065 -19.830 1.00 0.00 H new ATOM 0 HG2 PRO A 72 6.557 12.215 -21.450 1.00 0.00 H new ATOM 0 HG3 PRO A 72 6.505 13.251 -20.038 1.00 0.00 H new ATOM 0 HD2 PRO A 72 8.036 10.663 -20.433 1.00 0.00 H new ATOM 0 HD3 PRO A 72 8.532 12.102 -19.565 1.00 0.00 H new ATOM 1154 N THR A 73 5.414 8.633 -17.968 1.00 0.00 N ATOM 1155 CA THR A 73 4.695 7.413 -17.621 1.00 0.00 C ATOM 1156 C THR A 73 5.394 6.634 -16.494 1.00 0.00 C ATOM 1157 O THR A 73 5.006 5.503 -16.194 1.00 0.00 O ATOM 1158 CB THR A 73 4.514 6.581 -18.909 1.00 0.00 C ATOM 1159 OG1 THR A 73 5.742 6.506 -19.619 1.00 0.00 O ATOM 1160 CG2 THR A 73 3.467 7.214 -19.835 1.00 0.00 C ATOM 0 H THR A 73 6.375 8.455 -18.260 1.00 0.00 H new ATOM 0 HA THR A 73 3.712 7.660 -17.219 1.00 0.00 H new ATOM 0 HB THR A 73 4.183 5.586 -18.611 1.00 0.00 H new ATOM 0 HG1 THR A 73 5.617 5.975 -20.433 1.00 0.00 H new ATOM 0 HG21 THR A 73 3.361 6.606 -20.734 1.00 0.00 H new ATOM 0 HG22 THR A 73 2.509 7.267 -19.318 1.00 0.00 H new ATOM 0 HG23 THR A 73 3.786 8.219 -20.112 1.00 0.00 H new ATOM 1168 N HIS A 74 6.394 7.235 -15.838 1.00 0.00 N ATOM 1169 CA HIS A 74 7.210 6.593 -14.818 1.00 0.00 C ATOM 1170 C HIS A 74 7.281 7.490 -13.593 1.00 0.00 C ATOM 1171 O HIS A 74 8.267 8.192 -13.357 1.00 0.00 O ATOM 1172 CB HIS A 74 8.583 6.222 -15.378 1.00 0.00 C ATOM 1173 CG HIS A 74 8.520 5.018 -16.278 1.00 0.00 C ATOM 1174 ND1 HIS A 74 8.558 3.711 -15.855 1.00 0.00 N ATOM 1175 CD2 HIS A 74 8.383 5.003 -17.640 1.00 0.00 C ATOM 1176 CE1 HIS A 74 8.472 2.920 -16.938 1.00 0.00 C ATOM 1177 NE2 HIS A 74 8.362 3.663 -18.057 1.00 0.00 N ATOM 0 H HIS A 74 6.659 8.205 -16.011 1.00 0.00 H new ATOM 0 HA HIS A 74 6.752 5.654 -14.507 1.00 0.00 H new ATOM 0 HB2 HIS A 74 8.989 7.068 -15.933 1.00 0.00 H new ATOM 0 HB3 HIS A 74 9.268 6.023 -14.554 1.00 0.00 H new ATOM 0 HD1 HIS A 74 8.638 3.396 -14.888 1.00 0.00 H new ATOM 0 HD2 HIS A 74 8.305 5.869 -18.280 1.00 0.00 H new ATOM 0 HE1 HIS A 74 8.489 1.840 -16.915 1.00 0.00 H new ATOM 1185 N ALA A 75 6.178 7.495 -12.843 1.00 0.00 N ATOM 1186 CA ALA A 75 6.118 8.099 -11.525 1.00 0.00 C ATOM 1187 C ALA A 75 6.993 7.250 -10.598 1.00 0.00 C ATOM 1188 O ALA A 75 6.671 6.090 -10.331 1.00 0.00 O ATOM 1189 CB ALA A 75 4.666 8.136 -11.030 1.00 0.00 C ATOM 0 H ALA A 75 5.298 7.075 -13.142 1.00 0.00 H new ATOM 0 HA ALA A 75 6.480 9.127 -11.546 1.00 0.00 H new ATOM 0 HB1 ALA A 75 4.631 8.591 -10.040 1.00 0.00 H new ATOM 0 HB2 ALA A 75 4.061 8.723 -11.721 1.00 0.00 H new ATOM 0 HB3 ALA A 75 4.274 7.120 -10.977 1.00 0.00 H new ATOM 1195 N MET A 76 8.106 7.820 -10.144 1.00 0.00 N ATOM 1196 CA MET A 76 9.044 7.237 -9.199 1.00 0.00 C ATOM 1197 C MET A 76 8.316 6.714 -7.957 1.00 0.00 C ATOM 1198 O MET A 76 7.751 7.510 -7.203 1.00 0.00 O ATOM 1199 CB MET A 76 10.038 8.345 -8.815 1.00 0.00 C ATOM 1200 CG MET A 76 11.193 7.842 -7.951 1.00 0.00 C ATOM 1201 SD MET A 76 12.279 9.148 -7.315 1.00 0.00 S ATOM 1202 CE MET A 76 12.926 9.900 -8.832 1.00 0.00 C ATOM 0 H MET A 76 8.390 8.752 -10.444 1.00 0.00 H new ATOM 0 HA MET A 76 9.560 6.387 -9.646 1.00 0.00 H new ATOM 0 HB2 MET A 76 10.440 8.794 -9.723 1.00 0.00 H new ATOM 0 HB3 MET A 76 9.507 9.131 -8.279 1.00 0.00 H new ATOM 0 HG2 MET A 76 10.784 7.284 -7.108 1.00 0.00 H new ATOM 0 HG3 MET A 76 11.790 7.143 -8.536 1.00 0.00 H new ATOM 0 HE1 MET A 76 13.618 10.702 -8.574 1.00 0.00 H new ATOM 0 HE2 MET A 76 13.449 9.144 -9.418 1.00 0.00 H new ATOM 0 HE3 MET A 76 12.101 10.307 -9.417 1.00 0.00 H new ATOM 1212 N LYS A 77 8.337 5.402 -7.713 1.00 0.00 N ATOM 1213 CA LYS A 77 7.873 4.854 -6.446 1.00 0.00 C ATOM 1214 C LYS A 77 9.111 4.766 -5.560 1.00 0.00 C ATOM 1215 O LYS A 77 10.166 4.341 -6.033 1.00 0.00 O ATOM 1216 CB LYS A 77 7.180 3.499 -6.674 1.00 0.00 C ATOM 1217 CG LYS A 77 6.631 2.941 -5.350 1.00 0.00 C ATOM 1218 CD LYS A 77 5.659 1.761 -5.512 1.00 0.00 C ATOM 1219 CE LYS A 77 6.342 0.495 -6.050 1.00 0.00 C ATOM 1220 NZ LYS A 77 5.404 -0.653 -6.140 1.00 0.00 N ATOM 0 H LYS A 77 8.671 4.704 -8.378 1.00 0.00 H new ATOM 0 HA LYS A 77 7.120 5.476 -5.962 1.00 0.00 H new ATOM 0 HB2 LYS A 77 6.367 3.617 -7.390 1.00 0.00 H new ATOM 0 HB3 LYS A 77 7.887 2.792 -7.108 1.00 0.00 H new ATOM 0 HG2 LYS A 77 7.468 2.623 -4.729 1.00 0.00 H new ATOM 0 HG3 LYS A 77 6.123 3.743 -4.815 1.00 0.00 H new ATOM 0 HD2 LYS A 77 5.201 1.539 -4.548 1.00 0.00 H new ATOM 0 HD3 LYS A 77 4.855 2.049 -6.189 1.00 0.00 H new ATOM 0 HE2 LYS A 77 6.758 0.700 -7.036 1.00 0.00 H new ATOM 0 HE3 LYS A 77 7.176 0.230 -5.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 5.908 -1.485 -6.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 5.026 -0.867 -5.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 4.621 -0.412 -6.780 1.00 0.00 H new ATOM 1234 N ILE A 78 8.986 5.150 -4.294 1.00 0.00 N ATOM 1235 CA ILE A 78 10.074 5.150 -3.321 1.00 0.00 C ATOM 1236 C ILE A 78 9.519 4.458 -2.081 1.00 0.00 C ATOM 1237 O ILE A 78 8.349 4.646 -1.739 1.00 0.00 O ATOM 1238 CB ILE A 78 10.547 6.591 -2.973 1.00 0.00 C ATOM 1239 CG1 ILE A 78 10.696 7.511 -4.207 1.00 0.00 C ATOM 1240 CG2 ILE A 78 11.857 6.566 -2.157 1.00 0.00 C ATOM 1241 CD1 ILE A 78 11.125 8.941 -3.868 1.00 0.00 C ATOM 0 H ILE A 78 8.102 5.479 -3.905 1.00 0.00 H new ATOM 0 HA ILE A 78 10.948 4.638 -3.723 1.00 0.00 H new ATOM 0 HB ILE A 78 9.753 7.021 -2.362 1.00 0.00 H new ATOM 0 HG12 ILE A 78 11.428 7.074 -4.887 1.00 0.00 H new ATOM 0 HG13 ILE A 78 9.746 7.544 -4.740 1.00 0.00 H new ATOM 0 HG21 ILE A 78 12.163 7.587 -1.929 1.00 0.00 H new ATOM 0 HG22 ILE A 78 11.697 6.019 -1.228 1.00 0.00 H new ATOM 0 HG23 ILE A 78 12.638 6.074 -2.737 1.00 0.00 H new ATOM 0 HD11 ILE A 78 11.207 9.523 -4.786 1.00 0.00 H new ATOM 0 HD12 ILE A 78 10.383 9.398 -3.214 1.00 0.00 H new ATOM 0 HD13 ILE A 78 12.091 8.921 -3.363 1.00 0.00 H new ATOM 1253 N THR A 79 10.385 3.735 -1.390 1.00 0.00 N ATOM 1254 CA THR A 79 10.168 3.121 -0.091 1.00 0.00 C ATOM 1255 C THR A 79 11.488 3.259 0.673 1.00 0.00 C ATOM 1256 O THR A 79 12.546 3.417 0.055 1.00 0.00 O ATOM 1257 CB THR A 79 9.757 1.643 -0.271 1.00 0.00 C ATOM 1258 OG1 THR A 79 10.262 1.081 -1.475 1.00 0.00 O ATOM 1259 CG2 THR A 79 8.237 1.481 -0.317 1.00 0.00 C ATOM 0 H THR A 79 11.322 3.549 -1.747 1.00 0.00 H new ATOM 0 HA THR A 79 9.362 3.602 0.463 1.00 0.00 H new ATOM 0 HB THR A 79 10.179 1.127 0.591 1.00 0.00 H new ATOM 0 HG1 THR A 79 9.978 0.146 -1.544 1.00 0.00 H new ATOM 0 HG21 THR A 79 7.987 0.428 -0.445 1.00 0.00 H new ATOM 0 HG22 THR A 79 7.804 1.847 0.614 1.00 0.00 H new ATOM 0 HG23 THR A 79 7.835 2.053 -1.153 1.00 0.00 H new ATOM 1267 N PHE A 80 11.468 3.206 2.002 1.00 0.00 N ATOM 1268 CA PHE A 80 12.716 3.149 2.754 1.00 0.00 C ATOM 1269 C PHE A 80 13.346 1.774 2.544 1.00 0.00 C ATOM 1270 O PHE A 80 12.659 0.752 2.616 1.00 0.00 O ATOM 1271 CB PHE A 80 12.469 3.424 4.237 1.00 0.00 C ATOM 1272 CG PHE A 80 12.153 4.878 4.521 1.00 0.00 C ATOM 1273 CD1 PHE A 80 13.194 5.825 4.584 1.00 0.00 C ATOM 1274 CD2 PHE A 80 10.819 5.293 4.682 1.00 0.00 C ATOM 1275 CE1 PHE A 80 12.901 7.182 4.810 1.00 0.00 C ATOM 1276 CE2 PHE A 80 10.527 6.642 4.936 1.00 0.00 C ATOM 1277 CZ PHE A 80 11.566 7.585 4.999 1.00 0.00 C ATOM 0 H PHE A 80 10.621 3.201 2.570 1.00 0.00 H new ATOM 0 HA PHE A 80 13.399 3.919 2.396 1.00 0.00 H new ATOM 0 HB2 PHE A 80 11.643 2.803 4.584 1.00 0.00 H new ATOM 0 HB3 PHE A 80 13.350 3.130 4.808 1.00 0.00 H new ATOM 0 HD1 PHE A 80 14.219 5.508 4.459 1.00 0.00 H new ATOM 0 HD2 PHE A 80 10.018 4.572 4.610 1.00 0.00 H new ATOM 0 HE1 PHE A 80 13.697 7.911 4.838 1.00 0.00 H new ATOM 0 HE2 PHE A 80 9.504 6.955 5.083 1.00 0.00 H new ATOM 0 HZ PHE A 80 11.340 8.623 5.193 1.00 0.00 H new ATOM 1287 N ALA A 81 14.652 1.752 2.267 1.00 0.00 N ATOM 1288 CA ALA A 81 15.401 0.502 2.285 1.00 0.00 C ATOM 1289 C ALA A 81 15.641 0.140 3.756 1.00 0.00 C ATOM 1290 O ALA A 81 15.404 0.957 4.653 1.00 0.00 O ATOM 1291 CB ALA A 81 16.717 0.645 1.513 1.00 0.00 C ATOM 0 H ALA A 81 15.204 2.577 2.031 1.00 0.00 H new ATOM 0 HA ALA A 81 14.843 -0.294 1.792 1.00 0.00 H new ATOM 0 HB1 ALA A 81 17.259 -0.300 1.540 1.00 0.00 H new ATOM 0 HB2 ALA A 81 16.504 0.912 0.478 1.00 0.00 H new ATOM 0 HB3 ALA A 81 17.325 1.425 1.971 1.00 0.00 H new