USER MOD reduce.3.24.130724 H: found=0, std=0, add=491, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 493 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 39 LYS NZ :NH3+ -165:sc= 2.53 (180deg=1.33) USER MOD Set 1.2: A 43 ASN : amide:sc= 0.444 K(o=3,f=-5.5!) USER MOD Set 2.1: A 30 HIS : no HE2:sc= 1.12 K(o=1.3,f=-3.6!) USER MOD Set 2.2: A 63 THR OG1 : rot -16:sc= 0.171 USER MOD Set 3.1: A 21 MET CE :methyl 163:sc= -0.342 (180deg=-0.484) USER MOD Set 3.2: A 35 HIS : no HE2:sc= 0.00833 K(o=-0.33,f=-6!) USER MOD Single : A 12 THR OG1 : rot 75:sc= 1.01 USER MOD Single : A 16 THR OG1 : rot 30:sc= 0.3 USER MOD Single : A 19 ASN : amide:sc= -0.0198 K(o=-0.02,f=-1.8!) USER MOD Single : A 23 LYS NZ :NH3+ 178:sc= 1.24 (180deg=1.15) USER MOD Single : A 28 ASN : amide:sc= 0.877 K(o=0.88,f=-0.23) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ -179:sc= 1.88 (180deg=1.86) USER MOD Single : A 54 THR OG1 : rot -160:sc= -0.441 USER MOD Single : A 57 MET CE :methyl 166:sc= -1.89 (180deg=-2.41!) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot -95:sc= 1.27 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 81 N VAL A 6 7.653 -9.615 6.459 1.00 0.00 N ATOM 82 CA VAL A 6 6.932 -8.431 6.136 1.00 0.00 C ATOM 83 C VAL A 6 6.342 -8.756 4.784 1.00 0.00 C ATOM 84 O VAL A 6 6.991 -9.449 4.000 1.00 0.00 O ATOM 85 CB VAL A 6 7.875 -7.188 6.011 1.00 0.00 C ATOM 86 CG1 VAL A 6 7.089 -5.917 5.703 1.00 0.00 C ATOM 87 CG2 VAL A 6 8.713 -7.002 7.271 1.00 0.00 C ATOM 0 HA VAL A 6 6.198 -8.173 6.900 1.00 0.00 H new ATOM 0 HB VAL A 6 8.549 -7.379 5.176 1.00 0.00 H new ATOM 0 HG11 VAL A 6 7.776 -5.075 5.623 1.00 0.00 H new ATOM 0 HG12 VAL A 6 6.554 -6.039 4.761 1.00 0.00 H new ATOM 0 HG13 VAL A 6 6.375 -5.728 6.504 1.00 0.00 H new ATOM 0 HG21 VAL A 6 9.358 -6.131 7.154 1.00 0.00 H new ATOM 0 HG22 VAL A 6 8.055 -6.854 8.127 1.00 0.00 H new ATOM 0 HG23 VAL A 6 9.326 -7.888 7.434 1.00 0.00 H new ATOM 97 N ILE A 7 5.158 -8.317 4.505 1.00 0.00 N ATOM 98 CA ILE A 7 4.530 -8.674 3.261 1.00 0.00 C ATOM 99 C ILE A 7 4.584 -7.495 2.324 1.00 0.00 C ATOM 100 O ILE A 7 4.102 -6.407 2.657 1.00 0.00 O ATOM 101 CB ILE A 7 3.048 -9.107 3.466 1.00 0.00 C ATOM 102 CG1 ILE A 7 2.960 -10.262 4.475 1.00 0.00 C ATOM 103 CG2 ILE A 7 2.429 -9.525 2.135 1.00 0.00 C ATOM 104 CD1 ILE A 7 1.546 -10.734 4.761 1.00 0.00 C ATOM 0 H ILE A 7 4.604 -7.714 5.113 1.00 0.00 H new ATOM 0 HA ILE A 7 5.070 -9.522 2.839 1.00 0.00 H new ATOM 0 HB ILE A 7 2.492 -8.256 3.861 1.00 0.00 H new ATOM 0 HG12 ILE A 7 3.542 -11.103 4.099 1.00 0.00 H new ATOM 0 HG13 ILE A 7 3.422 -9.948 5.411 1.00 0.00 H new ATOM 0 HG21 ILE A 7 1.393 -9.825 2.294 1.00 0.00 H new ATOM 0 HG22 ILE A 7 2.461 -8.686 1.439 1.00 0.00 H new ATOM 0 HG23 ILE A 7 2.990 -10.362 1.720 1.00 0.00 H new ATOM 0 HD11 ILE A 7 1.574 -11.551 5.483 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.963 -9.909 5.169 1.00 0.00 H new ATOM 0 HD13 ILE A 7 1.085 -11.082 3.837 1.00 0.00 H new ATOM 116 N GLU A 8 5.178 -7.694 1.180 1.00 0.00 N ATOM 117 CA GLU A 8 5.279 -6.663 0.204 1.00 0.00 C ATOM 118 C GLU A 8 4.226 -6.917 -0.852 1.00 0.00 C ATOM 119 O GLU A 8 4.242 -7.945 -1.533 1.00 0.00 O ATOM 120 CB GLU A 8 6.667 -6.659 -0.479 1.00 0.00 C ATOM 121 CG GLU A 8 7.848 -7.001 0.428 1.00 0.00 C ATOM 122 CD GLU A 8 8.184 -8.490 0.418 1.00 0.00 C ATOM 123 OE1 GLU A 8 7.333 -9.339 0.795 1.00 0.00 O ATOM 124 OE2 GLU A 8 9.318 -8.849 0.039 1.00 0.00 O ATOM 0 H GLU A 8 5.604 -8.579 0.905 1.00 0.00 H new ATOM 0 HA GLU A 8 5.138 -5.700 0.695 1.00 0.00 H new ATOM 0 HB2 GLU A 8 6.648 -7.370 -1.305 1.00 0.00 H new ATOM 0 HB3 GLU A 8 6.837 -5.673 -0.911 1.00 0.00 H new ATOM 0 HG2 GLU A 8 8.722 -6.433 0.110 1.00 0.00 H new ATOM 0 HG3 GLU A 8 7.620 -6.691 1.448 1.00 0.00 H new ATOM 131 N LEU A 9 3.313 -6.013 -0.959 1.00 0.00 N ATOM 132 CA LEU A 9 2.252 -6.087 -1.929 1.00 0.00 C ATOM 133 C LEU A 9 2.199 -4.794 -2.651 1.00 0.00 C ATOM 134 O LEU A 9 2.757 -3.820 -2.199 1.00 0.00 O ATOM 135 CB LEU A 9 0.882 -6.358 -1.286 1.00 0.00 C ATOM 136 CG LEU A 9 0.678 -7.716 -0.622 1.00 0.00 C ATOM 137 CD1 LEU A 9 -0.712 -7.799 -0.020 1.00 0.00 C ATOM 138 CD2 LEU A 9 0.887 -8.848 -1.622 1.00 0.00 C ATOM 0 H LEU A 9 3.274 -5.183 -0.368 1.00 0.00 H new ATOM 0 HA LEU A 9 2.463 -6.918 -2.602 1.00 0.00 H new ATOM 0 HB2 LEU A 9 0.702 -5.586 -0.538 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.119 -6.241 -2.055 1.00 0.00 H new ATOM 0 HG LEU A 9 1.417 -7.823 0.172 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -0.847 -8.773 0.451 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.832 -7.014 0.727 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -1.457 -7.670 -0.805 1.00 0.00 H new ATOM 0 HD21 LEU A 9 0.736 -9.806 -1.124 1.00 0.00 H new ATOM 0 HD22 LEU A 9 0.173 -8.748 -2.440 1.00 0.00 H new ATOM 0 HD23 LEU A 9 1.901 -8.801 -2.018 1.00 0.00 H new ATOM 150 N GLU A 10 1.595 -4.779 -3.761 1.00 0.00 N ATOM 151 CA GLU A 10 1.434 -3.577 -4.479 1.00 0.00 C ATOM 152 C GLU A 10 -0.006 -3.402 -4.826 1.00 0.00 C ATOM 153 O GLU A 10 -0.784 -4.364 -4.744 1.00 0.00 O ATOM 154 CB GLU A 10 2.414 -3.500 -5.660 1.00 0.00 C ATOM 155 CG GLU A 10 2.495 -4.739 -6.527 1.00 0.00 C ATOM 156 CD GLU A 10 1.529 -4.722 -7.673 1.00 0.00 C ATOM 157 OE1 GLU A 10 0.392 -5.174 -7.523 1.00 0.00 O ATOM 158 OE2 GLU A 10 1.897 -4.216 -8.751 1.00 0.00 O ATOM 0 H GLU A 10 1.192 -5.602 -4.208 1.00 0.00 H new ATOM 0 HA GLU A 10 1.701 -2.718 -3.863 1.00 0.00 H new ATOM 0 HB2 GLU A 10 2.131 -2.656 -6.289 1.00 0.00 H new ATOM 0 HB3 GLU A 10 3.409 -3.286 -5.270 1.00 0.00 H new ATOM 0 HG2 GLU A 10 3.509 -4.837 -6.916 1.00 0.00 H new ATOM 0 HG3 GLU A 10 2.304 -5.618 -5.912 1.00 0.00 H new ATOM 165 N GLY A 11 -0.392 -2.206 -5.103 1.00 0.00 N ATOM 166 CA GLY A 11 -1.750 -1.973 -5.396 1.00 0.00 C ATOM 167 C GLY A 11 -1.967 -0.663 -6.058 1.00 0.00 C ATOM 168 O GLY A 11 -1.022 0.140 -6.208 1.00 0.00 O ATOM 0 H GLY A 11 0.212 -1.385 -5.131 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -2.122 -2.769 -6.041 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -2.330 -2.012 -4.474 1.00 0.00 H new ATOM 172 N THR A 12 -3.174 -0.435 -6.422 1.00 0.00 N ATOM 173 CA THR A 12 -3.586 0.737 -7.118 1.00 0.00 C ATOM 174 C THR A 12 -4.103 1.774 -6.131 1.00 0.00 C ATOM 175 O THR A 12 -4.893 1.467 -5.259 1.00 0.00 O ATOM 176 CB THR A 12 -4.707 0.352 -8.073 1.00 0.00 C ATOM 177 OG1 THR A 12 -4.286 -0.790 -8.858 1.00 0.00 O ATOM 178 CG2 THR A 12 -5.045 1.505 -9.010 1.00 0.00 C ATOM 0 H THR A 12 -3.938 -1.085 -6.238 1.00 0.00 H new ATOM 0 HA THR A 12 -2.743 1.160 -7.664 1.00 0.00 H new ATOM 0 HB THR A 12 -5.595 0.108 -7.489 1.00 0.00 H new ATOM 0 HG1 THR A 12 -4.314 -1.597 -8.303 1.00 0.00 H new ATOM 0 HG21 THR A 12 -5.849 1.204 -9.682 1.00 0.00 H new ATOM 0 HG22 THR A 12 -5.365 2.367 -8.425 1.00 0.00 H new ATOM 0 HG23 THR A 12 -4.164 1.769 -9.594 1.00 0.00 H new ATOM 186 N VAL A 13 -3.643 2.985 -6.242 1.00 0.00 N ATOM 187 CA VAL A 13 -4.113 4.021 -5.356 1.00 0.00 C ATOM 188 C VAL A 13 -5.347 4.702 -5.904 1.00 0.00 C ATOM 189 O VAL A 13 -5.402 5.028 -7.070 1.00 0.00 O ATOM 190 CB VAL A 13 -3.003 5.022 -4.926 1.00 0.00 C ATOM 191 CG1 VAL A 13 -2.248 5.535 -6.095 1.00 0.00 C ATOM 192 CG2 VAL A 13 -3.556 6.171 -4.098 1.00 0.00 C ATOM 0 H VAL A 13 -2.950 3.283 -6.928 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.408 3.525 -4.431 1.00 0.00 H new ATOM 0 HB VAL A 13 -2.312 4.465 -4.294 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.481 6.231 -5.756 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -1.777 4.703 -6.618 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -2.931 6.049 -6.772 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.744 6.844 -3.821 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -4.296 6.717 -4.682 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.024 5.777 -3.196 1.00 0.00 H new ATOM 202 N LEU A 14 -6.349 4.851 -5.070 1.00 0.00 N ATOM 203 CA LEU A 14 -7.595 5.462 -5.487 1.00 0.00 C ATOM 204 C LEU A 14 -7.755 6.872 -4.975 1.00 0.00 C ATOM 205 O LEU A 14 -8.291 7.714 -5.668 1.00 0.00 O ATOM 206 CB LEU A 14 -8.829 4.612 -5.129 1.00 0.00 C ATOM 207 CG LEU A 14 -9.127 3.394 -6.027 1.00 0.00 C ATOM 208 CD1 LEU A 14 -8.060 2.319 -5.928 1.00 0.00 C ATOM 209 CD2 LEU A 14 -10.502 2.824 -5.723 1.00 0.00 C ATOM 0 H LEU A 14 -6.328 4.557 -4.094 1.00 0.00 H new ATOM 0 HA LEU A 14 -7.535 5.511 -6.574 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -8.710 4.257 -4.105 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -9.703 5.263 -5.141 1.00 0.00 H new ATOM 0 HG LEU A 14 -9.116 3.751 -7.057 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -8.321 1.486 -6.581 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -7.098 2.732 -6.233 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -7.993 1.966 -4.899 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -10.691 1.966 -6.368 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -10.543 2.510 -4.680 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -11.260 3.587 -5.903 1.00 0.00 H new ATOM 221 N ASP A 15 -7.274 7.143 -3.781 1.00 0.00 N ATOM 222 CA ASP A 15 -7.498 8.457 -3.201 1.00 0.00 C ATOM 223 C ASP A 15 -6.192 9.002 -2.649 1.00 0.00 C ATOM 224 O ASP A 15 -5.327 8.238 -2.179 1.00 0.00 O ATOM 225 CB ASP A 15 -8.527 8.405 -2.052 1.00 0.00 C ATOM 226 CG ASP A 15 -9.847 7.677 -2.366 1.00 0.00 C ATOM 227 OD1 ASP A 15 -9.910 6.413 -2.182 1.00 0.00 O ATOM 228 OD2 ASP A 15 -10.816 8.336 -2.735 1.00 0.00 O ATOM 0 H ASP A 15 -6.739 6.494 -3.203 1.00 0.00 H new ATOM 0 HA ASP A 15 -7.885 9.102 -3.990 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -8.061 7.919 -1.194 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -8.760 9.427 -1.752 1.00 0.00 H new ATOM 233 N THR A 16 -6.055 10.298 -2.670 1.00 0.00 N ATOM 234 CA THR A 16 -4.873 10.968 -2.185 1.00 0.00 C ATOM 235 C THR A 16 -5.146 11.503 -0.784 1.00 0.00 C ATOM 236 O THR A 16 -6.131 12.220 -0.575 1.00 0.00 O ATOM 237 CB THR A 16 -4.528 12.135 -3.126 1.00 0.00 C ATOM 238 OG1 THR A 16 -5.714 12.925 -3.341 1.00 0.00 O ATOM 239 CG2 THR A 16 -4.018 11.621 -4.463 1.00 0.00 C ATOM 0 H THR A 16 -6.770 10.931 -3.029 1.00 0.00 H new ATOM 0 HA THR A 16 -4.036 10.270 -2.154 1.00 0.00 H new ATOM 0 HB THR A 16 -3.745 12.739 -2.667 1.00 0.00 H new ATOM 0 HG1 THR A 16 -6.287 12.877 -2.548 1.00 0.00 H new ATOM 0 HG21 THR A 16 -3.781 12.465 -5.111 1.00 0.00 H new ATOM 0 HG22 THR A 16 -3.121 11.022 -4.304 1.00 0.00 H new ATOM 0 HG23 THR A 16 -4.786 11.007 -4.934 1.00 0.00 H new ATOM 247 N LEU A 17 -4.301 11.166 0.168 1.00 0.00 N ATOM 248 CA LEU A 17 -4.552 11.542 1.537 1.00 0.00 C ATOM 249 C LEU A 17 -3.572 12.614 2.050 1.00 0.00 C ATOM 250 O LEU A 17 -2.433 12.725 1.576 1.00 0.00 O ATOM 251 CB LEU A 17 -4.520 10.315 2.460 1.00 0.00 C ATOM 252 CG LEU A 17 -5.533 9.193 2.199 1.00 0.00 C ATOM 253 CD1 LEU A 17 -5.420 8.148 3.286 1.00 0.00 C ATOM 254 CD2 LEU A 17 -6.957 9.734 2.123 1.00 0.00 C ATOM 0 H LEU A 17 -3.442 10.637 0.018 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.550 11.979 1.556 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -3.521 9.882 2.406 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -4.662 10.663 3.483 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.305 8.739 1.235 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -6.140 7.351 3.101 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -4.412 7.733 3.289 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -5.627 8.606 4.253 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -7.649 8.913 1.937 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -7.213 10.218 3.065 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -7.028 10.459 1.312 1.00 0.00 H new ATOM 266 N PRO A 18 -4.035 13.455 2.990 1.00 0.00 N ATOM 267 CA PRO A 18 -3.197 14.434 3.687 1.00 0.00 C ATOM 268 C PRO A 18 -2.130 13.758 4.569 1.00 0.00 C ATOM 269 O PRO A 18 -2.266 12.581 4.935 1.00 0.00 O ATOM 270 CB PRO A 18 -4.184 15.217 4.570 1.00 0.00 C ATOM 271 CG PRO A 18 -5.524 14.932 4.001 1.00 0.00 C ATOM 272 CD PRO A 18 -5.441 13.549 3.442 1.00 0.00 C ATOM 0 HA PRO A 18 -2.650 15.062 2.983 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -4.121 14.897 5.610 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -3.967 16.285 4.552 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -6.297 14.999 4.767 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -5.781 15.653 3.225 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -5.674 12.795 4.194 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -6.140 13.404 2.618 1.00 0.00 H new ATOM 280 N ASN A 19 -1.035 14.486 4.824 1.00 0.00 N ATOM 281 CA ASN A 19 0.059 14.047 5.735 1.00 0.00 C ATOM 282 C ASN A 19 0.935 12.974 5.123 1.00 0.00 C ATOM 283 O ASN A 19 1.564 12.170 5.849 1.00 0.00 O ATOM 284 CB ASN A 19 -0.483 13.574 7.120 1.00 0.00 C ATOM 285 CG ASN A 19 -1.121 14.690 7.947 1.00 0.00 C ATOM 286 OD1 ASN A 19 -1.662 15.650 7.415 1.00 0.00 O ATOM 287 ND2 ASN A 19 -1.067 14.565 9.252 1.00 0.00 N ATOM 0 H ASN A 19 -0.871 15.403 4.408 1.00 0.00 H new ATOM 0 HA ASN A 19 0.679 14.930 5.893 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -1.219 12.786 6.962 1.00 0.00 H new ATOM 0 HB3 ASN A 19 0.336 13.135 7.690 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -1.483 15.279 9.850 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -0.609 13.754 9.668 1.00 0.00 H new ATOM 294 N ALA A 20 1.030 13.000 3.787 1.00 0.00 N ATOM 295 CA ALA A 20 1.881 12.084 3.016 1.00 0.00 C ATOM 296 C ALA A 20 1.386 10.642 3.165 1.00 0.00 C ATOM 297 O ALA A 20 2.175 9.678 3.175 1.00 0.00 O ATOM 298 CB ALA A 20 3.354 12.228 3.440 1.00 0.00 C ATOM 0 H ALA A 20 0.515 13.662 3.207 1.00 0.00 H new ATOM 0 HA ALA A 20 1.817 12.348 1.960 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.969 11.542 2.858 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.685 13.251 3.263 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.452 11.993 4.500 1.00 0.00 H new ATOM 304 N MET A 21 0.087 10.504 3.287 1.00 0.00 N ATOM 305 CA MET A 21 -0.548 9.214 3.370 1.00 0.00 C ATOM 306 C MET A 21 -1.261 9.035 2.048 1.00 0.00 C ATOM 307 O MET A 21 -1.529 10.012 1.357 1.00 0.00 O ATOM 308 CB MET A 21 -1.613 9.198 4.476 1.00 0.00 C ATOM 309 CG MET A 21 -1.921 7.832 5.076 1.00 0.00 C ATOM 310 SD MET A 21 -0.672 7.268 6.253 1.00 0.00 S ATOM 311 CE MET A 21 -0.976 8.397 7.618 1.00 0.00 C ATOM 0 H MET A 21 -0.562 11.290 3.332 1.00 0.00 H new ATOM 0 HA MET A 21 0.186 8.437 3.584 1.00 0.00 H new ATOM 0 HB2 MET A 21 -1.288 9.862 5.277 1.00 0.00 H new ATOM 0 HB3 MET A 21 -2.536 9.614 4.072 1.00 0.00 H new ATOM 0 HG2 MET A 21 -2.889 7.873 5.576 1.00 0.00 H new ATOM 0 HG3 MET A 21 -2.008 7.101 4.272 1.00 0.00 H new ATOM 0 HE1 MET A 21 -0.513 8.005 8.524 1.00 0.00 H new ATOM 0 HE2 MET A 21 -0.549 9.373 7.385 1.00 0.00 H new ATOM 0 HE3 MET A 21 -2.050 8.499 7.774 1.00 0.00 H new ATOM 321 N PHE A 22 -1.555 7.851 1.698 1.00 0.00 N ATOM 322 CA PHE A 22 -2.291 7.565 0.491 1.00 0.00 C ATOM 323 C PHE A 22 -3.248 6.449 0.747 1.00 0.00 C ATOM 324 O PHE A 22 -2.967 5.545 1.552 1.00 0.00 O ATOM 325 CB PHE A 22 -1.376 7.228 -0.710 1.00 0.00 C ATOM 326 CG PHE A 22 -0.697 8.422 -1.348 1.00 0.00 C ATOM 327 CD1 PHE A 22 0.519 8.884 -0.885 1.00 0.00 C ATOM 328 CD2 PHE A 22 -1.289 9.076 -2.417 1.00 0.00 C ATOM 329 CE1 PHE A 22 1.137 9.975 -1.472 1.00 0.00 C ATOM 330 CE2 PHE A 22 -0.676 10.165 -3.009 1.00 0.00 C ATOM 331 CZ PHE A 22 0.537 10.614 -2.534 1.00 0.00 C ATOM 0 H PHE A 22 -1.297 7.023 2.235 1.00 0.00 H new ATOM 0 HA PHE A 22 -2.834 8.470 0.217 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -0.610 6.527 -0.379 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -1.969 6.718 -1.468 1.00 0.00 H new ATOM 0 HD1 PHE A 22 0.995 8.387 -0.053 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -2.241 8.731 -2.792 1.00 0.00 H new ATOM 0 HE1 PHE A 22 2.088 10.324 -1.098 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -1.148 10.663 -3.843 1.00 0.00 H new ATOM 0 HZ PHE A 22 1.016 11.466 -2.994 1.00 0.00 H new ATOM 341 N LYS A 23 -4.386 6.518 0.117 1.00 0.00 N ATOM 342 CA LYS A 23 -5.364 5.497 0.254 1.00 0.00 C ATOM 343 C LYS A 23 -5.247 4.623 -0.960 1.00 0.00 C ATOM 344 O LYS A 23 -5.689 4.973 -2.072 1.00 0.00 O ATOM 345 CB LYS A 23 -6.738 6.130 0.369 1.00 0.00 C ATOM 346 CG LYS A 23 -7.902 5.179 0.555 1.00 0.00 C ATOM 347 CD LYS A 23 -9.177 5.974 0.800 1.00 0.00 C ATOM 348 CE LYS A 23 -10.408 5.097 0.799 1.00 0.00 C ATOM 349 NZ LYS A 23 -10.612 4.420 -0.506 1.00 0.00 N ATOM 0 H LYS A 23 -4.654 7.283 -0.502 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.213 4.898 1.152 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -6.726 6.824 1.209 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -6.919 6.720 -0.529 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -8.017 4.552 -0.329 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -7.710 4.513 1.396 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -9.102 6.491 1.757 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -9.278 6.740 0.031 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -10.319 4.347 1.585 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -11.284 5.702 1.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -11.448 3.803 -0.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -10.757 5.134 -1.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -9.774 3.848 -0.735 1.00 0.00 H new ATOM 363 N VAL A 24 -4.640 3.520 -0.755 1.00 0.00 N ATOM 364 CA VAL A 24 -4.314 2.611 -1.828 1.00 0.00 C ATOM 365 C VAL A 24 -5.153 1.379 -1.671 1.00 0.00 C ATOM 366 O VAL A 24 -5.552 1.048 -0.577 1.00 0.00 O ATOM 367 CB VAL A 24 -2.782 2.262 -1.825 1.00 0.00 C ATOM 368 CG1 VAL A 24 -2.352 1.465 -3.042 1.00 0.00 C ATOM 369 CG2 VAL A 24 -1.919 3.509 -1.651 1.00 0.00 C ATOM 0 H VAL A 24 -4.343 3.201 0.167 1.00 0.00 H new ATOM 0 HA VAL A 24 -4.528 3.079 -2.789 1.00 0.00 H new ATOM 0 HB VAL A 24 -2.624 1.618 -0.960 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -1.284 1.256 -2.981 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -2.905 0.526 -3.076 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -2.558 2.040 -3.945 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -0.866 3.226 -1.654 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -2.111 4.202 -2.470 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -2.163 3.991 -0.704 1.00 0.00 H new ATOM 379 N GLU A 25 -5.482 0.763 -2.735 1.00 0.00 N ATOM 380 CA GLU A 25 -6.258 -0.408 -2.687 1.00 0.00 C ATOM 381 C GLU A 25 -5.422 -1.539 -3.199 1.00 0.00 C ATOM 382 O GLU A 25 -4.795 -1.435 -4.248 1.00 0.00 O ATOM 383 CB GLU A 25 -7.529 -0.229 -3.504 1.00 0.00 C ATOM 384 CG GLU A 25 -8.540 -1.349 -3.373 1.00 0.00 C ATOM 385 CD GLU A 25 -9.790 -1.063 -4.169 1.00 0.00 C ATOM 386 OE1 GLU A 25 -10.549 -0.156 -3.771 1.00 0.00 O ATOM 387 OE2 GLU A 25 -9.998 -1.719 -5.202 1.00 0.00 O ATOM 0 H GLU A 25 -5.218 1.060 -3.674 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.566 -0.626 -1.665 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -8.005 0.706 -3.207 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -7.256 -0.128 -4.554 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -8.095 -2.283 -3.715 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -8.799 -1.485 -2.323 1.00 0.00 H new ATOM 394 N LEU A 26 -5.324 -2.562 -2.411 1.00 0.00 N ATOM 395 CA LEU A 26 -4.632 -3.741 -2.815 1.00 0.00 C ATOM 396 C LEU A 26 -5.454 -4.423 -3.864 1.00 0.00 C ATOM 397 O LEU A 26 -6.677 -4.407 -3.785 1.00 0.00 O ATOM 398 CB LEU A 26 -4.429 -4.695 -1.637 1.00 0.00 C ATOM 399 CG LEU A 26 -3.511 -4.216 -0.520 1.00 0.00 C ATOM 400 CD1 LEU A 26 -3.512 -5.215 0.627 1.00 0.00 C ATOM 401 CD2 LEU A 26 -2.096 -4.027 -1.048 1.00 0.00 C ATOM 0 H LEU A 26 -5.721 -2.602 -1.472 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.650 -3.466 -3.199 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.405 -4.915 -1.205 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.033 -5.634 -2.024 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.880 -3.259 -0.151 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.852 -4.861 1.419 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.524 -5.319 1.018 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.161 -6.182 0.267 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.449 -3.684 -0.240 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.722 -4.975 -1.435 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.102 -3.286 -1.847 1.00 0.00 H new ATOM 413 N GLU A 27 -4.788 -5.090 -4.776 1.00 0.00 N ATOM 414 CA GLU A 27 -5.419 -5.793 -5.917 1.00 0.00 C ATOM 415 C GLU A 27 -6.387 -6.918 -5.437 1.00 0.00 C ATOM 416 O GLU A 27 -7.086 -7.544 -6.220 1.00 0.00 O ATOM 417 CB GLU A 27 -4.313 -6.403 -6.778 1.00 0.00 C ATOM 418 CG GLU A 27 -3.178 -5.434 -7.126 1.00 0.00 C ATOM 419 CD GLU A 27 -3.594 -4.257 -7.998 1.00 0.00 C ATOM 420 OE1 GLU A 27 -3.977 -3.193 -7.456 1.00 0.00 O ATOM 421 OE2 GLU A 27 -3.445 -4.359 -9.239 1.00 0.00 O ATOM 0 H GLU A 27 -3.771 -5.174 -4.764 1.00 0.00 H new ATOM 0 HA GLU A 27 -6.007 -5.075 -6.489 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -3.894 -7.262 -6.255 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -4.753 -6.776 -7.703 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -2.749 -5.050 -6.200 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -2.390 -5.987 -7.637 1.00 0.00 H new ATOM 428 N ASN A 28 -6.392 -7.151 -4.135 1.00 0.00 N ATOM 429 CA ASN A 28 -7.235 -8.149 -3.492 1.00 0.00 C ATOM 430 C ASN A 28 -8.608 -7.505 -3.145 1.00 0.00 C ATOM 431 O ASN A 28 -9.532 -8.183 -2.715 1.00 0.00 O ATOM 432 CB ASN A 28 -6.514 -8.625 -2.198 1.00 0.00 C ATOM 433 CG ASN A 28 -7.014 -9.948 -1.561 1.00 0.00 C ATOM 434 OD1 ASN A 28 -6.234 -10.658 -0.956 1.00 0.00 O ATOM 435 ND2 ASN A 28 -8.277 -10.267 -1.657 1.00 0.00 N ATOM 0 H ASN A 28 -5.798 -6.642 -3.481 1.00 0.00 H new ATOM 0 HA ASN A 28 -7.407 -9.001 -4.150 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -5.453 -8.736 -2.422 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -6.601 -7.835 -1.452 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -8.622 -11.122 -1.221 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -8.919 -9.661 -2.168 1.00 0.00 H new ATOM 442 N GLY A 29 -8.722 -6.196 -3.338 1.00 0.00 N ATOM 443 CA GLY A 29 -9.975 -5.499 -3.052 1.00 0.00 C ATOM 444 C GLY A 29 -10.010 -4.913 -1.649 1.00 0.00 C ATOM 445 O GLY A 29 -11.049 -4.506 -1.154 1.00 0.00 O ATOM 0 H GLY A 29 -7.972 -5.599 -3.687 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -10.116 -4.700 -3.779 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -10.808 -6.192 -3.174 1.00 0.00 H new ATOM 449 N HIS A 30 -8.885 -4.945 -0.975 1.00 0.00 N ATOM 450 CA HIS A 30 -8.784 -4.356 0.342 1.00 0.00 C ATOM 451 C HIS A 30 -8.224 -2.973 0.169 1.00 0.00 C ATOM 452 O HIS A 30 -7.171 -2.825 -0.434 1.00 0.00 O ATOM 453 CB HIS A 30 -7.773 -5.110 1.171 1.00 0.00 C ATOM 454 CG HIS A 30 -7.874 -4.955 2.685 1.00 0.00 C ATOM 455 ND1 HIS A 30 -7.693 -3.758 3.361 1.00 0.00 N ATOM 456 CD2 HIS A 30 -8.102 -5.880 3.651 1.00 0.00 C ATOM 457 CE1 HIS A 30 -7.797 -3.957 4.655 1.00 0.00 C ATOM 458 NE2 HIS A 30 -8.046 -5.233 4.866 1.00 0.00 N ATOM 0 H HIS A 30 -8.024 -5.373 -1.316 1.00 0.00 H new ATOM 0 HA HIS A 30 -9.763 -4.370 0.821 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -7.859 -6.170 0.931 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -6.777 -4.794 0.863 1.00 0.00 H new ATOM 0 HD1 HIS A 30 -7.507 -2.858 2.919 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -8.293 -6.932 3.496 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -7.695 -3.200 5.419 1.00 0.00 H new ATOM 467 N GLU A 31 -8.819 -2.015 0.760 1.00 0.00 N ATOM 468 CA GLU A 31 -8.272 -0.700 0.703 1.00 0.00 C ATOM 469 C GLU A 31 -7.464 -0.518 1.939 1.00 0.00 C ATOM 470 O GLU A 31 -7.785 -1.089 2.994 1.00 0.00 O ATOM 471 CB GLU A 31 -9.314 0.411 0.539 1.00 0.00 C ATOM 472 CG GLU A 31 -10.348 0.517 1.641 1.00 0.00 C ATOM 473 CD GLU A 31 -11.067 1.850 1.589 1.00 0.00 C ATOM 474 OE1 GLU A 31 -11.721 2.162 0.563 1.00 0.00 O ATOM 475 OE2 GLU A 31 -10.936 2.628 2.541 1.00 0.00 O ATOM 0 H GLU A 31 -9.685 -2.105 1.291 1.00 0.00 H new ATOM 0 HA GLU A 31 -7.660 -0.612 -0.195 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -8.791 1.365 0.465 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -9.834 0.258 -0.407 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -11.071 -0.293 1.545 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -9.864 0.399 2.610 1.00 0.00 H new ATOM 482 N ILE A 32 -6.385 0.138 1.802 1.00 0.00 N ATOM 483 CA ILE A 32 -5.443 0.283 2.851 1.00 0.00 C ATOM 484 C ILE A 32 -4.983 1.718 2.929 1.00 0.00 C ATOM 485 O ILE A 32 -5.000 2.454 1.929 1.00 0.00 O ATOM 486 CB ILE A 32 -4.207 -0.646 2.613 1.00 0.00 C ATOM 487 CG1 ILE A 32 -3.597 -0.354 1.243 1.00 0.00 C ATOM 488 CG2 ILE A 32 -4.624 -2.116 2.678 1.00 0.00 C ATOM 489 CD1 ILE A 32 -2.276 -1.021 0.990 1.00 0.00 C ATOM 0 H ILE A 32 -6.117 0.606 0.936 1.00 0.00 H new ATOM 0 HA ILE A 32 -5.923 -0.001 3.788 1.00 0.00 H new ATOM 0 HB ILE A 32 -3.470 -0.450 3.392 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -4.301 -0.668 0.472 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -3.471 0.724 1.139 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -3.753 -2.749 2.510 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -5.046 -2.332 3.660 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -5.371 -2.317 1.910 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -1.920 -0.757 -0.006 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.552 -0.689 1.734 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -2.396 -2.102 1.057 1.00 0.00 H new ATOM 501 N LEU A 33 -4.595 2.122 4.083 1.00 0.00 N ATOM 502 CA LEU A 33 -4.073 3.431 4.268 1.00 0.00 C ATOM 503 C LEU A 33 -2.613 3.238 4.464 1.00 0.00 C ATOM 504 O LEU A 33 -2.192 2.492 5.352 1.00 0.00 O ATOM 505 CB LEU A 33 -4.717 4.042 5.506 1.00 0.00 C ATOM 506 CG LEU A 33 -6.253 4.065 5.484 1.00 0.00 C ATOM 507 CD1 LEU A 33 -6.811 4.512 6.820 1.00 0.00 C ATOM 508 CD2 LEU A 33 -6.766 4.970 4.378 1.00 0.00 C ATOM 0 H LEU A 33 -4.629 1.555 4.930 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.271 4.099 3.430 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.388 3.485 6.383 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.353 5.063 5.622 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.594 3.048 5.289 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.900 4.519 6.775 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.484 3.824 7.599 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.451 5.515 7.047 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.856 4.969 4.383 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.403 5.985 4.541 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.408 4.607 3.415 1.00 0.00 H new ATOM 520 N ALA A 34 -1.842 3.868 3.666 1.00 0.00 N ATOM 521 CA ALA A 34 -0.436 3.646 3.724 1.00 0.00 C ATOM 522 C ALA A 34 0.320 4.934 3.621 1.00 0.00 C ATOM 523 O ALA A 34 -0.181 5.910 3.070 1.00 0.00 O ATOM 524 CB ALA A 34 -0.041 2.678 2.640 1.00 0.00 C ATOM 0 H ALA A 34 -2.150 4.541 2.964 1.00 0.00 H new ATOM 0 HA ALA A 34 -0.180 3.211 4.690 1.00 0.00 H new ATOM 0 HB1 ALA A 34 1.034 2.505 2.681 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -0.566 1.734 2.786 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -0.305 3.093 1.667 1.00 0.00 H new ATOM 530 N HIS A 35 1.516 4.947 4.141 1.00 0.00 N ATOM 531 CA HIS A 35 2.292 6.151 4.168 1.00 0.00 C ATOM 532 C HIS A 35 3.483 6.018 3.242 1.00 0.00 C ATOM 533 O HIS A 35 4.046 4.938 3.087 1.00 0.00 O ATOM 534 CB HIS A 35 2.787 6.429 5.593 1.00 0.00 C ATOM 535 CG HIS A 35 3.129 7.870 5.847 1.00 0.00 C ATOM 536 ND1 HIS A 35 4.337 8.450 5.523 1.00 0.00 N ATOM 537 CD2 HIS A 35 2.386 8.855 6.389 1.00 0.00 C ATOM 538 CE1 HIS A 35 4.312 9.720 5.861 1.00 0.00 C ATOM 539 NE2 HIS A 35 3.139 9.995 6.387 1.00 0.00 N ATOM 0 H HIS A 35 1.974 4.134 4.552 1.00 0.00 H new ATOM 0 HA HIS A 35 1.664 6.978 3.837 1.00 0.00 H new ATOM 0 HB2 HIS A 35 2.019 6.117 6.301 1.00 0.00 H new ATOM 0 HB3 HIS A 35 3.668 5.817 5.787 1.00 0.00 H new ATOM 0 HD1 HIS A 35 5.125 7.970 5.090 1.00 0.00 H new ATOM 0 HD2 HIS A 35 1.376 8.760 6.759 1.00 0.00 H new ATOM 0 HE1 HIS A 35 5.122 10.422 5.728 1.00 0.00 H new ATOM 548 N VAL A 36 3.873 7.107 2.661 1.00 0.00 N ATOM 549 CA VAL A 36 5.032 7.153 1.800 1.00 0.00 C ATOM 550 C VAL A 36 6.305 7.294 2.610 1.00 0.00 C ATOM 551 O VAL A 36 6.285 7.815 3.749 1.00 0.00 O ATOM 552 CB VAL A 36 4.960 8.242 0.718 1.00 0.00 C ATOM 553 CG1 VAL A 36 3.845 7.938 -0.256 1.00 0.00 C ATOM 554 CG2 VAL A 36 4.785 9.619 1.332 1.00 0.00 C ATOM 0 H VAL A 36 3.398 8.003 2.766 1.00 0.00 H new ATOM 0 HA VAL A 36 5.043 6.200 1.272 1.00 0.00 H new ATOM 0 HB VAL A 36 5.905 8.245 0.174 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.805 8.717 -1.017 1.00 0.00 H new ATOM 0 HG12 VAL A 36 4.030 6.975 -0.732 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.895 7.903 0.278 1.00 0.00 H new ATOM 0 HG21 VAL A 36 4.738 10.367 0.541 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.862 9.645 1.911 1.00 0.00 H new ATOM 0 HG23 VAL A 36 5.630 9.836 1.986 1.00 0.00 H new ATOM 564 N SER A 37 7.371 6.755 2.081 1.00 0.00 N ATOM 565 CA SER A 37 8.661 6.752 2.720 1.00 0.00 C ATOM 566 C SER A 37 9.179 8.176 2.913 1.00 0.00 C ATOM 567 O SER A 37 8.679 9.151 2.300 1.00 0.00 O ATOM 568 CB SER A 37 9.671 5.978 1.872 1.00 0.00 C ATOM 569 OG SER A 37 9.946 6.672 0.660 1.00 0.00 O ATOM 0 H SER A 37 7.367 6.294 1.171 1.00 0.00 H new ATOM 0 HA SER A 37 8.546 6.274 3.693 1.00 0.00 H new ATOM 0 HB2 SER A 37 10.594 5.838 2.434 1.00 0.00 H new ATOM 0 HB3 SER A 37 9.281 4.985 1.648 1.00 0.00 H new ATOM 0 HG SER A 37 10.595 6.163 0.131 1.00 0.00 H new ATOM 575 N GLY A 38 10.152 8.295 3.800 1.00 0.00 N ATOM 576 CA GLY A 38 10.765 9.551 4.109 1.00 0.00 C ATOM 577 C GLY A 38 11.297 10.311 2.902 1.00 0.00 C ATOM 578 O GLY A 38 11.479 11.524 2.991 1.00 0.00 O ATOM 0 H GLY A 38 10.534 7.508 4.324 1.00 0.00 H new ATOM 0 HA2 GLY A 38 10.038 10.178 4.625 1.00 0.00 H new ATOM 0 HA3 GLY A 38 11.587 9.378 4.804 1.00 0.00 H new ATOM 582 N LYS A 39 11.494 9.630 1.763 1.00 0.00 N ATOM 583 CA LYS A 39 12.039 10.305 0.608 1.00 0.00 C ATOM 584 C LYS A 39 10.954 11.131 -0.081 1.00 0.00 C ATOM 585 O LYS A 39 11.221 12.218 -0.574 1.00 0.00 O ATOM 586 CB LYS A 39 12.678 9.324 -0.386 1.00 0.00 C ATOM 587 CG LYS A 39 14.097 9.722 -0.827 1.00 0.00 C ATOM 588 CD LYS A 39 14.157 11.153 -1.361 1.00 0.00 C ATOM 589 CE LYS A 39 15.564 11.553 -1.760 1.00 0.00 C ATOM 590 NZ LYS A 39 15.647 12.995 -2.094 1.00 0.00 N ATOM 0 H LYS A 39 11.286 8.640 1.632 1.00 0.00 H new ATOM 0 HA LYS A 39 12.828 10.970 0.959 1.00 0.00 H new ATOM 0 HB2 LYS A 39 12.713 8.333 0.067 1.00 0.00 H new ATOM 0 HB3 LYS A 39 12.041 9.249 -1.268 1.00 0.00 H new ATOM 0 HG2 LYS A 39 14.779 9.622 0.017 1.00 0.00 H new ATOM 0 HG3 LYS A 39 14.442 9.034 -1.598 1.00 0.00 H new ATOM 0 HD2 LYS A 39 13.496 11.246 -2.222 1.00 0.00 H new ATOM 0 HD3 LYS A 39 13.787 11.840 -0.600 1.00 0.00 H new ATOM 0 HE2 LYS A 39 16.252 11.327 -0.945 1.00 0.00 H new ATOM 0 HE3 LYS A 39 15.882 10.961 -2.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 16.537 13.184 -2.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 14.843 13.258 -2.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 15.619 13.556 -1.219 1.00 0.00 H new ATOM 604 N ILE A 40 9.729 10.633 -0.058 1.00 0.00 N ATOM 605 CA ILE A 40 8.603 11.327 -0.683 1.00 0.00 C ATOM 606 C ILE A 40 8.104 12.450 0.241 1.00 0.00 C ATOM 607 O ILE A 40 7.376 13.334 -0.159 1.00 0.00 O ATOM 608 CB ILE A 40 7.467 10.325 -1.104 1.00 0.00 C ATOM 609 CG1 ILE A 40 8.012 9.362 -2.166 1.00 0.00 C ATOM 610 CG2 ILE A 40 6.237 11.056 -1.666 1.00 0.00 C ATOM 611 CD1 ILE A 40 7.079 8.217 -2.516 1.00 0.00 C ATOM 0 H ILE A 40 9.483 9.749 0.387 1.00 0.00 H new ATOM 0 HA ILE A 40 8.941 11.792 -1.609 1.00 0.00 H new ATOM 0 HB ILE A 40 7.154 9.779 -0.214 1.00 0.00 H new ATOM 0 HG12 ILE A 40 8.230 9.927 -3.073 1.00 0.00 H new ATOM 0 HG13 ILE A 40 8.957 8.949 -1.813 1.00 0.00 H new ATOM 0 HG21 ILE A 40 5.476 10.327 -1.945 1.00 0.00 H new ATOM 0 HG22 ILE A 40 5.835 11.728 -0.908 1.00 0.00 H new ATOM 0 HG23 ILE A 40 6.526 11.632 -2.545 1.00 0.00 H new ATOM 0 HD11 ILE A 40 7.545 7.587 -3.274 1.00 0.00 H new ATOM 0 HD12 ILE A 40 6.880 7.624 -1.623 1.00 0.00 H new ATOM 0 HD13 ILE A 40 6.142 8.617 -2.903 1.00 0.00 H new ATOM 623 N ARG A 41 8.521 12.409 1.492 1.00 0.00 N ATOM 624 CA ARG A 41 8.229 13.531 2.380 1.00 0.00 C ATOM 625 C ARG A 41 9.120 14.709 1.965 1.00 0.00 C ATOM 626 O ARG A 41 8.711 15.855 1.993 1.00 0.00 O ATOM 627 CB ARG A 41 8.538 13.206 3.838 1.00 0.00 C ATOM 628 CG ARG A 41 7.833 11.999 4.409 1.00 0.00 C ATOM 629 CD ARG A 41 8.163 11.849 5.893 1.00 0.00 C ATOM 630 NE ARG A 41 9.626 11.835 6.147 1.00 0.00 N ATOM 631 CZ ARG A 41 10.215 11.552 7.329 1.00 0.00 C ATOM 632 NH1 ARG A 41 9.469 11.235 8.398 1.00 0.00 N ATOM 633 NH2 ARG A 41 11.551 11.599 7.438 1.00 0.00 N ATOM 0 H ARG A 41 9.046 11.641 1.911 1.00 0.00 H new ATOM 0 HA ARG A 41 7.167 13.762 2.297 1.00 0.00 H new ATOM 0 HB2 ARG A 41 9.613 13.055 3.936 1.00 0.00 H new ATOM 0 HB3 ARG A 41 8.281 14.074 4.446 1.00 0.00 H new ATOM 0 HG2 ARG A 41 6.756 12.102 4.277 1.00 0.00 H new ATOM 0 HG3 ARG A 41 8.136 11.102 3.869 1.00 0.00 H new ATOM 0 HD2 ARG A 41 7.708 12.669 6.449 1.00 0.00 H new ATOM 0 HD3 ARG A 41 7.722 10.926 6.269 1.00 0.00 H new ATOM 0 HE ARG A 41 10.238 12.058 5.362 1.00 0.00 H new ATOM 0 HH11 ARG A 41 8.452 11.207 8.320 1.00 0.00 H new ATOM 0 HH12 ARG A 41 9.918 11.022 9.289 1.00 0.00 H new ATOM 0 HH21 ARG A 41 12.120 11.848 6.629 1.00 0.00 H new ATOM 0 HH22 ARG A 41 11.998 11.386 8.330 1.00 0.00 H new ATOM 647 N MET A 42 10.363 14.378 1.602 1.00 0.00 N ATOM 648 CA MET A 42 11.354 15.364 1.172 1.00 0.00 C ATOM 649 C MET A 42 11.037 15.838 -0.237 1.00 0.00 C ATOM 650 O MET A 42 11.113 17.022 -0.557 1.00 0.00 O ATOM 651 CB MET A 42 12.750 14.726 1.161 1.00 0.00 C ATOM 652 CG MET A 42 13.866 15.680 0.752 1.00 0.00 C ATOM 653 SD MET A 42 15.427 14.827 0.408 1.00 0.00 S ATOM 654 CE MET A 42 16.509 16.235 0.132 1.00 0.00 C ATOM 0 H MET A 42 10.709 13.418 1.599 1.00 0.00 H new ATOM 0 HA MET A 42 11.329 16.205 1.864 1.00 0.00 H new ATOM 0 HB2 MET A 42 12.967 14.335 2.155 1.00 0.00 H new ATOM 0 HB3 MET A 42 12.744 13.876 0.478 1.00 0.00 H new ATOM 0 HG2 MET A 42 13.557 16.235 -0.134 1.00 0.00 H new ATOM 0 HG3 MET A 42 14.023 16.410 1.546 1.00 0.00 H new ATOM 0 HE1 MET A 42 17.515 15.882 -0.093 1.00 0.00 H new ATOM 0 HE2 MET A 42 16.134 16.823 -0.706 1.00 0.00 H new ATOM 0 HE3 MET A 42 16.534 16.855 1.028 1.00 0.00 H new ATOM 664 N ASN A 43 10.735 14.897 -1.084 1.00 0.00 N ATOM 665 CA ASN A 43 10.401 15.169 -2.450 1.00 0.00 C ATOM 666 C ASN A 43 9.065 14.589 -2.702 1.00 0.00 C ATOM 667 O ASN A 43 8.933 13.398 -3.010 1.00 0.00 O ATOM 668 CB ASN A 43 11.410 14.561 -3.420 1.00 0.00 C ATOM 669 CG ASN A 43 12.840 15.107 -3.291 1.00 0.00 C ATOM 670 OD1 ASN A 43 13.823 14.382 -3.516 1.00 0.00 O ATOM 671 ND2 ASN A 43 12.983 16.364 -2.920 1.00 0.00 N ATOM 0 H ASN A 43 10.714 13.907 -0.841 1.00 0.00 H new ATOM 0 HA ASN A 43 10.411 16.247 -2.612 1.00 0.00 H new ATOM 0 HB2 ASN A 43 11.433 13.482 -3.268 1.00 0.00 H new ATOM 0 HB3 ASN A 43 11.062 14.732 -4.439 1.00 0.00 H new ATOM 0 HD21 ASN A 43 13.916 16.761 -2.812 1.00 0.00 H new ATOM 0 HD22 ASN A 43 12.160 16.940 -2.741 1.00 0.00 H new ATOM 761 N LEU A 48 -0.974 9.839 -8.485 1.00 0.00 N ATOM 762 CA LEU A 48 -2.339 10.051 -8.884 1.00 0.00 C ATOM 763 C LEU A 48 -3.165 8.795 -8.858 1.00 0.00 C ATOM 764 O LEU A 48 -2.659 7.723 -9.143 1.00 0.00 O ATOM 765 CB LEU A 48 -2.476 10.781 -10.225 1.00 0.00 C ATOM 766 CG LEU A 48 -2.293 12.299 -10.166 1.00 0.00 C ATOM 767 CD1 LEU A 48 -0.845 12.705 -9.912 1.00 0.00 C ATOM 768 CD2 LEU A 48 -2.853 12.975 -11.405 1.00 0.00 C ATOM 0 HA LEU A 48 -2.747 10.716 -8.123 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.743 10.370 -10.920 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -3.462 10.566 -10.637 1.00 0.00 H new ATOM 0 HG LEU A 48 -2.868 12.649 -9.308 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -0.772 13.792 -9.880 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.513 12.291 -8.960 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.214 12.323 -10.714 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.706 14.052 -11.329 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.337 12.600 -12.289 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.918 12.759 -11.487 1.00 0.00 H new ATOM 780 N PRO A 49 -4.426 8.907 -8.390 1.00 0.00 N ATOM 781 CA PRO A 49 -5.385 7.802 -8.399 1.00 0.00 C ATOM 782 C PRO A 49 -5.358 7.026 -9.729 1.00 0.00 C ATOM 783 O PRO A 49 -5.508 7.605 -10.808 1.00 0.00 O ATOM 784 CB PRO A 49 -6.716 8.523 -8.227 1.00 0.00 C ATOM 785 CG PRO A 49 -6.381 9.701 -7.377 1.00 0.00 C ATOM 786 CD PRO A 49 -5.016 10.134 -7.810 1.00 0.00 C ATOM 0 HA PRO A 49 -5.178 7.056 -7.632 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -7.131 8.829 -9.187 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -7.457 7.883 -7.748 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -7.108 10.502 -7.513 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -6.392 9.437 -6.319 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -5.065 10.940 -8.543 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -4.428 10.503 -6.970 1.00 0.00 H new ATOM 794 N GLY A 50 -5.175 5.734 -9.625 1.00 0.00 N ATOM 795 CA GLY A 50 -5.037 4.883 -10.774 1.00 0.00 C ATOM 796 C GLY A 50 -3.607 4.409 -10.947 1.00 0.00 C ATOM 797 O GLY A 50 -3.348 3.463 -11.686 1.00 0.00 O ATOM 0 H GLY A 50 -5.118 5.242 -8.733 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -5.697 4.022 -10.671 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -5.353 5.422 -11.667 1.00 0.00 H new ATOM 801 N ASP A 51 -2.684 5.064 -10.259 1.00 0.00 N ATOM 802 CA ASP A 51 -1.271 4.695 -10.315 1.00 0.00 C ATOM 803 C ASP A 51 -1.018 3.580 -9.317 1.00 0.00 C ATOM 804 O ASP A 51 -1.818 3.377 -8.375 1.00 0.00 O ATOM 805 CB ASP A 51 -0.370 5.866 -9.985 1.00 0.00 C ATOM 806 CG ASP A 51 0.932 5.838 -10.743 1.00 0.00 C ATOM 807 OD1 ASP A 51 1.675 4.850 -10.652 1.00 0.00 O ATOM 808 OD2 ASP A 51 1.240 6.834 -11.434 1.00 0.00 O ATOM 0 H ASP A 51 -2.886 5.858 -9.652 1.00 0.00 H new ATOM 0 HA ASP A 51 -1.043 4.371 -11.331 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -0.894 6.795 -10.208 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -0.161 5.867 -8.915 1.00 0.00 H new ATOM 813 N LYS A 52 0.042 2.854 -9.498 1.00 0.00 N ATOM 814 CA LYS A 52 0.332 1.741 -8.624 1.00 0.00 C ATOM 815 C LYS A 52 1.584 1.950 -7.784 1.00 0.00 C ATOM 816 O LYS A 52 2.607 2.456 -8.264 1.00 0.00 O ATOM 817 CB LYS A 52 0.367 0.396 -9.352 1.00 0.00 C ATOM 818 CG LYS A 52 -0.981 -0.032 -9.928 1.00 0.00 C ATOM 819 CD LYS A 52 -0.999 -1.505 -10.331 1.00 0.00 C ATOM 820 CE LYS A 52 -0.736 -2.404 -9.124 1.00 0.00 C ATOM 821 NZ LYS A 52 -0.881 -3.837 -9.432 1.00 0.00 N ATOM 0 H LYS A 52 0.725 3.006 -10.240 1.00 0.00 H new ATOM 0 HA LYS A 52 -0.510 1.704 -7.933 1.00 0.00 H new ATOM 0 HB2 LYS A 52 1.096 0.451 -10.161 1.00 0.00 H new ATOM 0 HB3 LYS A 52 0.716 -0.371 -8.661 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -1.763 0.150 -9.191 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.214 0.583 -10.797 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -1.965 -1.754 -10.771 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -0.244 -1.686 -11.096 1.00 0.00 H new ATOM 0 HE2 LYS A 52 0.272 -2.218 -8.752 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -1.426 -2.138 -8.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -0.708 -4.396 -8.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -1.844 -4.022 -9.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -0.193 -4.106 -10.164 1.00 0.00 H new ATOM 835 N VAL A 53 1.514 1.537 -6.539 1.00 0.00 N ATOM 836 CA VAL A 53 2.633 1.653 -5.616 1.00 0.00 C ATOM 837 C VAL A 53 2.824 0.354 -4.843 1.00 0.00 C ATOM 838 O VAL A 53 1.881 -0.434 -4.699 1.00 0.00 O ATOM 839 CB VAL A 53 2.470 2.832 -4.612 1.00 0.00 C ATOM 840 CG1 VAL A 53 2.541 4.180 -5.321 1.00 0.00 C ATOM 841 CG2 VAL A 53 1.161 2.716 -3.840 1.00 0.00 C ATOM 0 H VAL A 53 0.682 1.110 -6.132 1.00 0.00 H new ATOM 0 HA VAL A 53 3.513 1.859 -6.225 1.00 0.00 H new ATOM 0 HB VAL A 53 3.298 2.773 -3.906 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.424 4.981 -4.592 1.00 0.00 H new ATOM 0 HG12 VAL A 53 3.506 4.280 -5.817 1.00 0.00 H new ATOM 0 HG13 VAL A 53 1.744 4.244 -6.062 1.00 0.00 H new ATOM 0 HG21 VAL A 53 1.073 3.552 -3.146 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.324 2.734 -4.538 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.149 1.779 -3.283 1.00 0.00 H new ATOM 851 N THR A 54 4.024 0.139 -4.358 1.00 0.00 N ATOM 852 CA THR A 54 4.367 -1.046 -3.616 1.00 0.00 C ATOM 853 C THR A 54 4.397 -0.726 -2.119 1.00 0.00 C ATOM 854 O THR A 54 5.166 0.164 -1.656 1.00 0.00 O ATOM 855 CB THR A 54 5.740 -1.558 -4.053 1.00 0.00 C ATOM 856 OG1 THR A 54 5.804 -1.555 -5.492 1.00 0.00 O ATOM 857 CG2 THR A 54 5.982 -2.977 -3.546 1.00 0.00 C ATOM 0 H THR A 54 4.799 0.793 -4.471 1.00 0.00 H new ATOM 0 HA THR A 54 3.619 -1.814 -3.810 1.00 0.00 H new ATOM 0 HB THR A 54 6.505 -0.905 -3.633 1.00 0.00 H new ATOM 0 HG1 THR A 54 6.519 -2.156 -5.789 1.00 0.00 H new ATOM 0 HG21 THR A 54 6.965 -3.317 -3.871 1.00 0.00 H new ATOM 0 HG22 THR A 54 5.936 -2.987 -2.457 1.00 0.00 H new ATOM 0 HG23 THR A 54 5.217 -3.642 -3.947 1.00 0.00 H new ATOM 865 N VAL A 55 3.597 -1.456 -1.386 1.00 0.00 N ATOM 866 CA VAL A 55 3.409 -1.243 0.018 1.00 0.00 C ATOM 867 C VAL A 55 3.955 -2.425 0.841 1.00 0.00 C ATOM 868 O VAL A 55 3.730 -3.600 0.519 1.00 0.00 O ATOM 869 CB VAL A 55 1.892 -0.996 0.354 1.00 0.00 C ATOM 870 CG1 VAL A 55 1.010 -2.209 0.038 1.00 0.00 C ATOM 871 CG2 VAL A 55 1.712 -0.569 1.794 1.00 0.00 C ATOM 0 H VAL A 55 3.048 -2.230 -1.760 1.00 0.00 H new ATOM 0 HA VAL A 55 3.972 -0.350 0.291 1.00 0.00 H new ATOM 0 HB VAL A 55 1.563 -0.184 -0.295 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.026 -1.981 0.290 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.082 -2.444 -1.024 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.346 -3.065 0.623 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.653 -0.406 1.996 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.091 -1.348 2.455 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.262 0.356 1.971 1.00 0.00 H new ATOM 881 N GLU A 56 4.691 -2.102 1.853 1.00 0.00 N ATOM 882 CA GLU A 56 5.190 -3.066 2.799 1.00 0.00 C ATOM 883 C GLU A 56 4.219 -3.075 3.955 1.00 0.00 C ATOM 884 O GLU A 56 3.907 -2.007 4.509 1.00 0.00 O ATOM 885 CB GLU A 56 6.538 -2.594 3.292 1.00 0.00 C ATOM 886 CG GLU A 56 7.559 -2.435 2.197 1.00 0.00 C ATOM 887 CD GLU A 56 8.613 -1.461 2.590 1.00 0.00 C ATOM 888 OE1 GLU A 56 9.540 -1.810 3.332 1.00 0.00 O ATOM 889 OE2 GLU A 56 8.489 -0.288 2.208 1.00 0.00 O ATOM 0 H GLU A 56 4.972 -1.143 2.056 1.00 0.00 H new ATOM 0 HA GLU A 56 5.289 -4.057 2.357 1.00 0.00 H new ATOM 0 HB2 GLU A 56 6.414 -1.639 3.803 1.00 0.00 H new ATOM 0 HB3 GLU A 56 6.915 -3.304 4.028 1.00 0.00 H new ATOM 0 HG2 GLU A 56 8.015 -3.400 1.976 1.00 0.00 H new ATOM 0 HG3 GLU A 56 7.069 -2.098 1.284 1.00 0.00 H new ATOM 896 N MET A 57 3.696 -4.225 4.296 1.00 0.00 N ATOM 897 CA MET A 57 2.734 -4.309 5.370 1.00 0.00 C ATOM 898 C MET A 57 3.082 -5.429 6.303 1.00 0.00 C ATOM 899 O MET A 57 3.734 -6.404 5.919 1.00 0.00 O ATOM 900 CB MET A 57 1.309 -4.536 4.865 1.00 0.00 C ATOM 901 CG MET A 57 1.072 -4.171 3.408 1.00 0.00 C ATOM 902 SD MET A 57 -0.672 -4.114 2.974 1.00 0.00 S ATOM 903 CE MET A 57 -1.218 -2.803 4.056 1.00 0.00 C ATOM 0 H MET A 57 3.918 -5.114 3.849 1.00 0.00 H new ATOM 0 HA MET A 57 2.773 -3.350 5.887 1.00 0.00 H new ATOM 0 HB2 MET A 57 1.054 -5.586 5.006 1.00 0.00 H new ATOM 0 HB3 MET A 57 0.625 -3.956 5.484 1.00 0.00 H new ATOM 0 HG2 MET A 57 1.524 -3.200 3.204 1.00 0.00 H new ATOM 0 HG3 MET A 57 1.576 -4.897 2.770 1.00 0.00 H new ATOM 0 HE1 MET A 57 -2.208 -2.466 3.748 1.00 0.00 H new ATOM 0 HE2 MET A 57 -1.263 -3.172 5.081 1.00 0.00 H new ATOM 0 HE3 MET A 57 -0.517 -1.970 4.000 1.00 0.00 H new ATOM 913 N SER A 58 2.649 -5.297 7.510 1.00 0.00 N ATOM 914 CA SER A 58 2.868 -6.289 8.516 1.00 0.00 C ATOM 915 C SER A 58 1.830 -7.409 8.335 1.00 0.00 C ATOM 916 O SER A 58 0.668 -7.117 8.044 1.00 0.00 O ATOM 917 CB SER A 58 2.705 -5.630 9.884 1.00 0.00 C ATOM 918 OG SER A 58 3.503 -4.460 9.966 1.00 0.00 O ATOM 0 H SER A 58 2.124 -4.485 7.835 1.00 0.00 H new ATOM 0 HA SER A 58 3.869 -6.714 8.436 1.00 0.00 H new ATOM 0 HB2 SER A 58 1.658 -5.377 10.050 1.00 0.00 H new ATOM 0 HB3 SER A 58 2.992 -6.330 10.669 1.00 0.00 H new ATOM 0 HG SER A 58 3.388 -4.047 10.847 1.00 0.00 H new ATOM 924 N PRO A 59 2.223 -8.698 8.499 1.00 0.00 N ATOM 925 CA PRO A 59 1.294 -9.852 8.353 1.00 0.00 C ATOM 926 C PRO A 59 0.158 -9.821 9.380 1.00 0.00 C ATOM 927 O PRO A 59 -0.869 -10.447 9.204 1.00 0.00 O ATOM 928 CB PRO A 59 2.189 -11.074 8.612 1.00 0.00 C ATOM 929 CG PRO A 59 3.581 -10.598 8.392 1.00 0.00 C ATOM 930 CD PRO A 59 3.601 -9.151 8.793 1.00 0.00 C ATOM 0 HA PRO A 59 0.810 -9.852 7.377 1.00 0.00 H new ATOM 0 HB2 PRO A 59 2.058 -11.449 9.627 1.00 0.00 H new ATOM 0 HB3 PRO A 59 1.942 -11.892 7.936 1.00 0.00 H new ATOM 0 HG2 PRO A 59 4.288 -11.176 8.987 1.00 0.00 H new ATOM 0 HG3 PRO A 59 3.872 -10.716 7.348 1.00 0.00 H new ATOM 0 HD2 PRO A 59 3.848 -9.029 9.848 1.00 0.00 H new ATOM 0 HD3 PRO A 59 4.340 -8.586 8.225 1.00 0.00 H new ATOM 938 N TYR A 60 0.368 -9.074 10.438 1.00 0.00 N ATOM 939 CA TYR A 60 -0.600 -8.952 11.511 1.00 0.00 C ATOM 940 C TYR A 60 -1.431 -7.664 11.321 1.00 0.00 C ATOM 941 O TYR A 60 -2.239 -7.304 12.161 1.00 0.00 O ATOM 942 CB TYR A 60 0.164 -8.948 12.863 1.00 0.00 C ATOM 943 CG TYR A 60 -0.697 -8.959 14.122 1.00 0.00 C ATOM 944 CD1 TYR A 60 -1.390 -10.101 14.504 1.00 0.00 C ATOM 945 CD2 TYR A 60 -0.812 -7.825 14.923 1.00 0.00 C ATOM 946 CE1 TYR A 60 -2.172 -10.115 15.646 1.00 0.00 C ATOM 947 CE2 TYR A 60 -1.591 -7.832 16.065 1.00 0.00 C ATOM 948 CZ TYR A 60 -2.269 -8.979 16.421 1.00 0.00 C ATOM 949 OH TYR A 60 -3.045 -8.991 17.561 1.00 0.00 O ATOM 0 H TYR A 60 1.218 -8.530 10.583 1.00 0.00 H new ATOM 0 HA TYR A 60 -1.294 -9.792 11.502 1.00 0.00 H new ATOM 0 HB2 TYR A 60 0.820 -9.818 12.889 1.00 0.00 H new ATOM 0 HB3 TYR A 60 0.804 -8.066 12.893 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -1.317 -10.993 13.900 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -0.283 -6.925 14.647 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -2.704 -11.012 15.929 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -1.668 -6.944 16.675 1.00 0.00 H new ATOM 0 HH TYR A 60 -3.005 -8.112 17.993 1.00 0.00 H new ATOM 959 N ASP A 61 -1.236 -6.993 10.200 1.00 0.00 N ATOM 960 CA ASP A 61 -1.938 -5.740 9.961 1.00 0.00 C ATOM 961 C ASP A 61 -2.682 -5.792 8.627 1.00 0.00 C ATOM 962 O ASP A 61 -3.900 -5.965 8.582 1.00 0.00 O ATOM 963 CB ASP A 61 -0.951 -4.550 9.970 1.00 0.00 C ATOM 964 CG ASP A 61 -1.650 -3.233 9.968 1.00 0.00 C ATOM 965 OD1 ASP A 61 -2.137 -2.832 8.928 1.00 0.00 O ATOM 966 OD2 ASP A 61 -1.724 -2.582 11.017 1.00 0.00 O ATOM 0 H ASP A 61 -0.609 -7.286 9.451 1.00 0.00 H new ATOM 0 HA ASP A 61 -2.662 -5.597 10.764 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -0.312 -4.618 10.850 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -0.300 -4.614 9.098 1.00 0.00 H new ATOM 971 N LEU A 62 -1.912 -5.659 7.547 1.00 0.00 N ATOM 972 CA LEU A 62 -2.378 -5.670 6.150 1.00 0.00 C ATOM 973 C LEU A 62 -3.471 -4.593 5.875 1.00 0.00 C ATOM 974 O LEU A 62 -4.247 -4.694 4.905 1.00 0.00 O ATOM 975 CB LEU A 62 -2.878 -7.064 5.739 1.00 0.00 C ATOM 976 CG LEU A 62 -2.853 -7.359 4.226 1.00 0.00 C ATOM 977 CD1 LEU A 62 -1.424 -7.574 3.746 1.00 0.00 C ATOM 978 CD2 LEU A 62 -3.733 -8.550 3.886 1.00 0.00 C ATOM 0 H LEU A 62 -0.902 -5.535 7.619 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.514 -5.416 5.536 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.271 -7.813 6.248 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.900 -7.185 6.098 1.00 0.00 H new ATOM 0 HG LEU A 62 -3.258 -6.492 3.704 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.427 -7.781 2.676 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.836 -6.677 3.941 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.985 -8.418 4.278 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.696 -8.735 2.812 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.375 -9.431 4.419 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -4.761 -8.340 4.183 1.00 0.00 H new ATOM 990 N THR A 63 -3.540 -3.575 6.704 1.00 0.00 N ATOM 991 CA THR A 63 -4.454 -2.500 6.464 1.00 0.00 C ATOM 992 C THR A 63 -3.746 -1.120 6.506 1.00 0.00 C ATOM 993 O THR A 63 -4.293 -0.103 6.047 1.00 0.00 O ATOM 994 CB THR A 63 -5.734 -2.588 7.357 1.00 0.00 C ATOM 995 OG1 THR A 63 -6.644 -1.522 7.067 1.00 0.00 O ATOM 996 CG2 THR A 63 -5.411 -2.614 8.837 1.00 0.00 C ATOM 0 H THR A 63 -2.972 -3.476 7.546 1.00 0.00 H new ATOM 0 HA THR A 63 -4.822 -2.609 5.444 1.00 0.00 H new ATOM 0 HB THR A 63 -6.213 -3.536 7.112 1.00 0.00 H new ATOM 0 HG1 THR A 63 -6.178 -0.821 6.565 1.00 0.00 H new ATOM 0 HG21 THR A 63 -6.336 -2.676 9.410 1.00 0.00 H new ATOM 0 HG22 THR A 63 -4.789 -3.481 9.058 1.00 0.00 H new ATOM 0 HG23 THR A 63 -4.876 -1.704 9.109 1.00 0.00 H new ATOM 1004 N ARG A 64 -2.559 -1.109 7.076 1.00 0.00 N ATOM 1005 CA ARG A 64 -1.648 0.019 7.116 1.00 0.00 C ATOM 1006 C ARG A 64 -0.328 -0.431 6.529 1.00 0.00 C ATOM 1007 O ARG A 64 0.059 -1.592 6.696 1.00 0.00 O ATOM 1008 CB ARG A 64 -1.385 0.506 8.557 1.00 0.00 C ATOM 1009 CG ARG A 64 -2.449 1.409 9.188 1.00 0.00 C ATOM 1010 CD ARG A 64 -3.729 0.669 9.535 1.00 0.00 C ATOM 1011 NE ARG A 64 -3.484 -0.429 10.480 1.00 0.00 N ATOM 1012 CZ ARG A 64 -4.227 -0.743 11.545 1.00 0.00 C ATOM 1013 NH1 ARG A 64 -5.329 -0.039 11.851 1.00 0.00 N ATOM 1014 NH2 ARG A 64 -3.865 -1.776 12.287 1.00 0.00 N ATOM 0 H ARG A 64 -2.183 -1.930 7.550 1.00 0.00 H new ATOM 0 HA ARG A 64 -2.096 0.840 6.556 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -1.262 -0.370 9.194 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -0.436 1.042 8.566 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -2.042 1.863 10.092 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -2.681 2.222 8.500 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -4.447 1.367 9.966 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -4.178 0.272 8.625 1.00 0.00 H new ATOM 0 HE ARG A 64 -2.664 -1.010 10.305 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -5.610 0.749 11.267 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -5.885 -0.292 12.668 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -3.034 -2.314 12.041 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -4.417 -2.035 13.105 1.00 0.00 H new ATOM 1028 N GLY A 65 0.362 0.447 5.851 1.00 0.00 N ATOM 1029 CA GLY A 65 1.618 0.062 5.270 1.00 0.00 C ATOM 1030 C GLY A 65 2.501 1.235 4.943 1.00 0.00 C ATOM 1031 O GLY A 65 2.153 2.389 5.234 1.00 0.00 O ATOM 0 H GLY A 65 0.083 1.415 5.690 1.00 0.00 H new ATOM 0 HA2 GLY A 65 2.143 -0.599 5.959 1.00 0.00 H new ATOM 0 HA3 GLY A 65 1.431 -0.509 4.361 1.00 0.00 H new ATOM 1035 N ARG A 66 3.622 0.954 4.331 1.00 0.00 N ATOM 1036 CA ARG A 66 4.583 1.967 3.970 1.00 0.00 C ATOM 1037 C ARG A 66 5.039 1.720 2.526 1.00 0.00 C ATOM 1038 O ARG A 66 5.307 0.592 2.154 1.00 0.00 O ATOM 1039 CB ARG A 66 5.752 1.913 4.993 1.00 0.00 C ATOM 1040 CG ARG A 66 6.782 3.052 4.940 1.00 0.00 C ATOM 1041 CD ARG A 66 7.823 2.886 3.840 1.00 0.00 C ATOM 1042 NE ARG A 66 8.601 1.640 3.981 1.00 0.00 N ATOM 1043 CZ ARG A 66 9.624 1.412 4.826 1.00 0.00 C ATOM 1044 NH1 ARG A 66 9.991 2.340 5.726 1.00 0.00 N ATOM 1045 NH2 ARG A 66 10.262 0.250 4.782 1.00 0.00 N ATOM 0 H ARG A 66 3.897 0.008 4.066 1.00 0.00 H new ATOM 0 HA ARG A 66 4.156 2.969 4.006 1.00 0.00 H new ATOM 0 HB2 ARG A 66 5.324 1.891 5.995 1.00 0.00 H new ATOM 0 HB3 ARG A 66 6.282 0.971 4.852 1.00 0.00 H new ATOM 0 HG2 ARG A 66 6.259 3.997 4.793 1.00 0.00 H new ATOM 0 HG3 ARG A 66 7.290 3.116 5.902 1.00 0.00 H new ATOM 0 HD2 ARG A 66 7.326 2.892 2.870 1.00 0.00 H new ATOM 0 HD3 ARG A 66 8.502 3.738 3.856 1.00 0.00 H new ATOM 0 HE ARG A 66 8.334 0.867 3.371 1.00 0.00 H new ATOM 0 HH11 ARG A 66 9.493 3.229 5.774 1.00 0.00 H new ATOM 0 HH12 ARG A 66 10.768 2.156 6.361 1.00 0.00 H new ATOM 0 HH21 ARG A 66 9.977 -0.463 4.111 1.00 0.00 H new ATOM 0 HH22 ARG A 66 11.038 0.070 5.419 1.00 0.00 H new ATOM 1059 N ILE A 67 5.055 2.771 1.720 1.00 0.00 N ATOM 1060 CA ILE A 67 5.456 2.682 0.310 1.00 0.00 C ATOM 1061 C ILE A 67 6.904 3.073 0.100 1.00 0.00 C ATOM 1062 O ILE A 67 7.340 4.176 0.505 1.00 0.00 O ATOM 1063 CB ILE A 67 4.542 3.547 -0.654 1.00 0.00 C ATOM 1064 CG1 ILE A 67 3.198 2.883 -0.904 1.00 0.00 C ATOM 1065 CG2 ILE A 67 5.215 3.869 -1.993 1.00 0.00 C ATOM 1066 CD1 ILE A 67 2.264 2.895 0.257 1.00 0.00 C ATOM 0 H ILE A 67 4.792 3.711 2.017 1.00 0.00 H new ATOM 0 HA ILE A 67 5.327 1.631 0.051 1.00 0.00 H new ATOM 0 HB ILE A 67 4.382 4.489 -0.130 1.00 0.00 H new ATOM 0 HG12 ILE A 67 2.715 3.380 -1.745 1.00 0.00 H new ATOM 0 HG13 ILE A 67 3.370 1.849 -1.202 1.00 0.00 H new ATOM 0 HG21 ILE A 67 4.538 4.463 -2.607 1.00 0.00 H new ATOM 0 HG22 ILE A 67 6.131 4.432 -1.814 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.456 2.941 -2.512 1.00 0.00 H new ATOM 0 HD11 ILE A 67 1.334 2.399 -0.019 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.720 2.370 1.096 1.00 0.00 H new ATOM 0 HD13 ILE A 67 2.054 3.925 0.545 1.00 0.00 H new ATOM 1078 N THR A 68 7.645 2.184 -0.502 1.00 0.00 N ATOM 1079 CA THR A 68 9.002 2.476 -0.904 1.00 0.00 C ATOM 1080 C THR A 68 9.156 2.487 -2.423 1.00 0.00 C ATOM 1081 O THR A 68 10.002 3.219 -2.977 1.00 0.00 O ATOM 1082 CB THR A 68 9.953 1.454 -0.304 1.00 0.00 C ATOM 1083 OG1 THR A 68 9.311 0.169 -0.316 1.00 0.00 O ATOM 1084 CG2 THR A 68 10.315 1.846 1.099 1.00 0.00 C ATOM 0 H THR A 68 7.332 1.240 -0.729 1.00 0.00 H new ATOM 0 HA THR A 68 9.246 3.472 -0.534 1.00 0.00 H new ATOM 0 HB THR A 68 10.871 1.411 -0.891 1.00 0.00 H new ATOM 0 HG1 THR A 68 8.882 0.010 0.551 1.00 0.00 H new ATOM 0 HG21 THR A 68 10.997 1.106 1.519 1.00 0.00 H new ATOM 0 HG22 THR A 68 10.799 2.822 1.090 1.00 0.00 H new ATOM 0 HG23 THR A 68 9.412 1.894 1.708 1.00 0.00 H new ATOM 1092 N TYR A 69 8.290 1.784 -3.110 1.00 0.00 N ATOM 1093 CA TYR A 69 8.380 1.716 -4.539 1.00 0.00 C ATOM 1094 C TYR A 69 7.097 2.190 -5.153 1.00 0.00 C ATOM 1095 O TYR A 69 6.022 1.956 -4.630 1.00 0.00 O ATOM 1096 CB TYR A 69 8.732 0.302 -5.027 1.00 0.00 C ATOM 1097 CG TYR A 69 8.984 0.212 -6.528 1.00 0.00 C ATOM 1098 CD1 TYR A 69 10.180 0.657 -7.077 1.00 0.00 C ATOM 1099 CD2 TYR A 69 8.019 -0.297 -7.394 1.00 0.00 C ATOM 1100 CE1 TYR A 69 10.409 0.594 -8.438 1.00 0.00 C ATOM 1101 CE2 TYR A 69 8.240 -0.360 -8.755 1.00 0.00 C ATOM 1102 CZ TYR A 69 9.436 0.086 -9.272 1.00 0.00 C ATOM 1103 OH TYR A 69 9.659 0.029 -10.628 1.00 0.00 O ATOM 0 H TYR A 69 7.520 1.255 -2.701 1.00 0.00 H new ATOM 0 HA TYR A 69 9.191 2.371 -4.856 1.00 0.00 H new ATOM 0 HB2 TYR A 69 9.620 -0.044 -4.498 1.00 0.00 H new ATOM 0 HB3 TYR A 69 7.920 -0.376 -4.763 1.00 0.00 H new ATOM 0 HD1 TYR A 69 10.944 1.059 -6.429 1.00 0.00 H new ATOM 0 HD2 TYR A 69 7.080 -0.649 -6.993 1.00 0.00 H new ATOM 0 HE1 TYR A 69 11.346 0.941 -8.847 1.00 0.00 H new ATOM 0 HE2 TYR A 69 7.479 -0.757 -9.411 1.00 0.00 H new ATOM 0 HH TYR A 69 8.875 -0.356 -11.073 1.00 0.00 H new ATOM 1113 N ARG A 70 7.235 2.902 -6.210 1.00 0.00 N ATOM 1114 CA ARG A 70 6.143 3.427 -6.954 1.00 0.00 C ATOM 1115 C ARG A 70 6.398 3.113 -8.400 1.00 0.00 C ATOM 1116 O ARG A 70 7.553 3.195 -8.841 1.00 0.00 O ATOM 1117 CB ARG A 70 5.948 4.960 -6.721 1.00 0.00 C ATOM 1118 CG ARG A 70 7.181 5.854 -6.965 1.00 0.00 C ATOM 1119 CD ARG A 70 8.246 5.696 -5.869 1.00 0.00 C ATOM 1120 NE ARG A 70 9.459 6.477 -6.150 1.00 0.00 N ATOM 1121 CZ ARG A 70 10.677 6.251 -5.609 1.00 0.00 C ATOM 1122 NH1 ARG A 70 10.859 5.266 -4.711 1.00 0.00 N ATOM 1123 NH2 ARG A 70 11.713 7.021 -5.966 1.00 0.00 N ATOM 0 H ARG A 70 8.146 3.146 -6.599 1.00 0.00 H new ATOM 0 HA ARG A 70 5.213 2.966 -6.621 1.00 0.00 H new ATOM 0 HB2 ARG A 70 5.143 5.304 -7.370 1.00 0.00 H new ATOM 0 HB3 ARG A 70 5.616 5.110 -5.694 1.00 0.00 H new ATOM 0 HG2 ARG A 70 7.619 5.607 -7.932 1.00 0.00 H new ATOM 0 HG3 ARG A 70 6.866 6.896 -7.014 1.00 0.00 H new ATOM 0 HD2 ARG A 70 7.828 6.010 -4.912 1.00 0.00 H new ATOM 0 HD3 ARG A 70 8.510 4.643 -5.771 1.00 0.00 H new ATOM 0 HE ARG A 70 9.375 7.253 -6.807 1.00 0.00 H new ATOM 0 HH11 ARG A 70 10.073 4.679 -4.431 1.00 0.00 H new ATOM 0 HH12 ARG A 70 11.783 5.106 -4.310 1.00 0.00 H new ATOM 0 HH21 ARG A 70 11.580 7.773 -6.642 1.00 0.00 H new ATOM 0 HH22 ARG A 70 12.635 6.856 -5.561 1.00 0.00 H new