USER MOD reduce.3.24.130724 H: found=0, std=0, add=491, rem=0, adj=13 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 12 THR OG1 : rot 70:sc= 1.07 USER MOD Set 1.2: A 52 LYS NZ :NH3+ 139:sc= 0.0285! (180deg=-1.36!) USER MOD Single : A 16 THR OG1 : rot 36:sc= 0.311 USER MOD Single : A 19 ASN : amide:sc= -0.252 K(o=-0.25,f=-0.85) USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -175:sc= 0.814 (180deg=0.423) USER MOD Single : A 28 ASN : amide:sc= 0.842 K(o=0.84,f=-0.23) USER MOD Single : A 30 HIS : no HD1:sc= -1.2 K(o=-1.2,f=-2.7!) USER MOD Single : A 35 HIS : +bothHN:sc= -0.998! C(o=-1!,f=-4.9!) USER MOD Single : A 37 SER OG : rot 180:sc= -0.0168 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= 1.11 K(o=1.1,f=-0.011) USER MOD Single : A 54 THR OG1 : rot -170:sc= -0.0984 USER MOD Single : A 57 MET CE :methyl 167:sc= -0.933 (180deg=-1.45) 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 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot -107:sc= 1.21 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 81 N VAL A 6 7.993 -9.541 5.548 1.00 0.00 N ATOM 82 CA VAL A 6 7.058 -8.525 5.796 1.00 0.00 C ATOM 83 C VAL A 6 6.039 -8.857 4.715 1.00 0.00 C ATOM 84 O VAL A 6 6.233 -9.866 3.994 1.00 0.00 O ATOM 85 CB VAL A 6 7.720 -7.128 5.533 1.00 0.00 C ATOM 86 CG1 VAL A 6 6.777 -5.970 5.833 1.00 0.00 C ATOM 87 CG2 VAL A 6 9.001 -6.976 6.350 1.00 0.00 C ATOM 0 HA VAL A 6 6.656 -8.476 6.808 1.00 0.00 H new ATOM 0 HB VAL A 6 7.959 -7.091 4.470 1.00 0.00 H new ATOM 0 HG11 VAL A 6 7.285 -5.026 5.634 1.00 0.00 H new ATOM 0 HG12 VAL A 6 5.893 -6.047 5.200 1.00 0.00 H new ATOM 0 HG13 VAL A 6 6.477 -6.007 6.880 1.00 0.00 H new ATOM 0 HG21 VAL A 6 9.445 -6.000 6.153 1.00 0.00 H new ATOM 0 HG22 VAL A 6 8.768 -7.061 7.411 1.00 0.00 H new ATOM 0 HG23 VAL A 6 9.706 -7.758 6.070 1.00 0.00 H new ATOM 97 N ILE A 7 4.930 -8.254 4.689 1.00 0.00 N ATOM 98 CA ILE A 7 4.064 -8.555 3.586 1.00 0.00 C ATOM 99 C ILE A 7 4.149 -7.418 2.591 1.00 0.00 C ATOM 100 O ILE A 7 3.783 -6.288 2.891 1.00 0.00 O ATOM 101 CB ILE A 7 2.589 -8.770 4.050 1.00 0.00 C ATOM 102 CG1 ILE A 7 2.480 -9.978 5.001 1.00 0.00 C ATOM 103 CG2 ILE A 7 1.642 -8.929 2.865 1.00 0.00 C ATOM 104 CD1 ILE A 7 2.937 -11.304 4.406 1.00 0.00 C ATOM 0 H ILE A 7 4.589 -7.577 5.371 1.00 0.00 H new ATOM 0 HA ILE A 7 4.387 -9.488 3.123 1.00 0.00 H new ATOM 0 HB ILE A 7 2.287 -7.876 4.595 1.00 0.00 H new ATOM 0 HG12 ILE A 7 3.071 -9.774 5.894 1.00 0.00 H new ATOM 0 HG13 ILE A 7 1.443 -10.078 5.321 1.00 0.00 H new ATOM 0 HG21 ILE A 7 0.625 -9.077 3.229 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.679 -8.032 2.246 1.00 0.00 H new ATOM 0 HG23 ILE A 7 1.944 -9.792 2.271 1.00 0.00 H new ATOM 0 HD11 ILE A 7 2.823 -12.094 5.148 1.00 0.00 H new ATOM 0 HD12 ILE A 7 2.331 -11.538 3.531 1.00 0.00 H new ATOM 0 HD13 ILE A 7 3.984 -11.230 4.113 1.00 0.00 H new ATOM 116 N GLU A 8 4.668 -7.730 1.428 1.00 0.00 N ATOM 117 CA GLU A 8 4.785 -6.785 0.362 1.00 0.00 C ATOM 118 C GLU A 8 3.695 -7.059 -0.656 1.00 0.00 C ATOM 119 O GLU A 8 3.641 -8.137 -1.253 1.00 0.00 O ATOM 120 CB GLU A 8 6.173 -6.859 -0.318 1.00 0.00 C ATOM 121 CG GLU A 8 7.369 -6.723 0.629 1.00 0.00 C ATOM 122 CD GLU A 8 7.990 -8.058 1.022 1.00 0.00 C ATOM 123 OE1 GLU A 8 7.394 -8.802 1.801 1.00 0.00 O ATOM 124 OE2 GLU A 8 9.098 -8.363 0.548 1.00 0.00 O ATOM 0 H GLU A 8 5.023 -8.659 1.200 1.00 0.00 H new ATOM 0 HA GLU A 8 4.676 -5.782 0.774 1.00 0.00 H new ATOM 0 HB2 GLU A 8 6.252 -7.810 -0.844 1.00 0.00 H new ATOM 0 HB3 GLU A 8 6.234 -6.073 -1.070 1.00 0.00 H new ATOM 0 HG2 GLU A 8 8.130 -6.104 0.154 1.00 0.00 H new ATOM 0 HG3 GLU A 8 7.050 -6.200 1.531 1.00 0.00 H new ATOM 131 N LEU A 9 2.821 -6.116 -0.824 1.00 0.00 N ATOM 132 CA LEU A 9 1.726 -6.239 -1.749 1.00 0.00 C ATOM 133 C LEU A 9 1.753 -5.127 -2.762 1.00 0.00 C ATOM 134 O LEU A 9 2.411 -4.107 -2.561 1.00 0.00 O ATOM 135 CB LEU A 9 0.376 -6.270 -1.020 1.00 0.00 C ATOM 136 CG LEU A 9 0.072 -7.533 -0.208 1.00 0.00 C ATOM 137 CD1 LEU A 9 -1.221 -7.370 0.571 1.00 0.00 C ATOM 138 CD2 LEU A 9 -0.025 -8.746 -1.129 1.00 0.00 C ATOM 0 H LEU A 9 2.843 -5.229 -0.321 1.00 0.00 H new ATOM 0 HA LEU A 9 1.845 -7.187 -2.273 1.00 0.00 H new ATOM 0 HB2 LEU A 9 0.330 -5.412 -0.349 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -0.415 -6.140 -1.759 1.00 0.00 H new ATOM 0 HG LEU A 9 0.888 -7.689 0.498 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -1.419 -8.278 1.141 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.130 -6.525 1.254 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.043 -7.190 -0.122 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -0.241 -9.636 -0.537 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -0.824 -8.589 -1.854 1.00 0.00 H new ATOM 0 HD23 LEU A 9 0.921 -8.881 -1.654 1.00 0.00 H new ATOM 150 N GLU A 10 1.073 -5.345 -3.843 1.00 0.00 N ATOM 151 CA GLU A 10 0.956 -4.380 -4.894 1.00 0.00 C ATOM 152 C GLU A 10 -0.498 -3.924 -4.848 1.00 0.00 C ATOM 153 O GLU A 10 -1.369 -4.682 -4.364 1.00 0.00 O ATOM 154 CB GLU A 10 1.305 -5.073 -6.230 1.00 0.00 C ATOM 155 CG GLU A 10 2.070 -4.214 -7.246 1.00 0.00 C ATOM 156 CD GLU A 10 1.243 -3.133 -7.887 1.00 0.00 C ATOM 157 OE1 GLU A 10 1.003 -2.110 -7.260 1.00 0.00 O ATOM 158 OE2 GLU A 10 0.814 -3.307 -9.032 1.00 0.00 O ATOM 0 H GLU A 10 0.573 -6.215 -4.025 1.00 0.00 H new ATOM 0 HA GLU A 10 1.626 -3.526 -4.790 1.00 0.00 H new ATOM 0 HB2 GLU A 10 1.898 -5.961 -6.013 1.00 0.00 H new ATOM 0 HB3 GLU A 10 0.379 -5.414 -6.694 1.00 0.00 H new ATOM 0 HG2 GLU A 10 2.924 -3.755 -6.747 1.00 0.00 H new ATOM 0 HG3 GLU A 10 2.468 -4.862 -8.027 1.00 0.00 H new ATOM 165 N GLY A 11 -0.769 -2.742 -5.286 1.00 0.00 N ATOM 166 CA GLY A 11 -2.097 -2.230 -5.202 1.00 0.00 C ATOM 167 C GLY A 11 -2.273 -1.011 -6.048 1.00 0.00 C ATOM 168 O GLY A 11 -1.323 -0.527 -6.655 1.00 0.00 O ATOM 0 H GLY A 11 -0.088 -2.110 -5.707 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -2.804 -2.997 -5.518 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -2.330 -1.990 -4.165 1.00 0.00 H new ATOM 172 N THR A 12 -3.452 -0.507 -6.094 1.00 0.00 N ATOM 173 CA THR A 12 -3.740 0.640 -6.883 1.00 0.00 C ATOM 174 C THR A 12 -4.240 1.755 -5.981 1.00 0.00 C ATOM 175 O THR A 12 -5.162 1.565 -5.206 1.00 0.00 O ATOM 176 CB THR A 12 -4.824 0.300 -7.908 1.00 0.00 C ATOM 177 OG1 THR A 12 -4.442 -0.888 -8.629 1.00 0.00 O ATOM 178 CG2 THR A 12 -4.996 1.449 -8.895 1.00 0.00 C ATOM 0 H THR A 12 -4.252 -0.880 -5.582 1.00 0.00 H new ATOM 0 HA THR A 12 -2.836 0.959 -7.402 1.00 0.00 H new ATOM 0 HB THR A 12 -5.766 0.134 -7.385 1.00 0.00 H new ATOM 0 HG1 THR A 12 -4.494 -1.664 -8.032 1.00 0.00 H new ATOM 0 HG21 THR A 12 -5.770 1.194 -9.619 1.00 0.00 H new ATOM 0 HG22 THR A 12 -5.286 2.351 -8.356 1.00 0.00 H new ATOM 0 HG23 THR A 12 -4.055 1.624 -9.417 1.00 0.00 H new ATOM 186 N VAL A 13 -3.632 2.900 -6.064 1.00 0.00 N ATOM 187 CA VAL A 13 -4.057 4.014 -5.249 1.00 0.00 C ATOM 188 C VAL A 13 -5.123 4.830 -5.939 1.00 0.00 C ATOM 189 O VAL A 13 -4.985 5.171 -7.107 1.00 0.00 O ATOM 190 CB VAL A 13 -2.878 4.880 -4.723 1.00 0.00 C ATOM 191 CG1 VAL A 13 -1.940 5.241 -5.820 1.00 0.00 C ATOM 192 CG2 VAL A 13 -3.368 6.133 -4.006 1.00 0.00 C ATOM 0 H VAL A 13 -2.844 3.094 -6.682 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.511 3.587 -4.355 1.00 0.00 H new ATOM 0 HB VAL A 13 -2.339 4.271 -3.997 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.127 5.846 -5.419 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -1.532 4.333 -6.263 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -2.473 5.809 -6.583 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.512 6.709 -3.655 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.956 6.740 -4.695 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -3.987 5.847 -3.155 1.00 0.00 H new ATOM 202 N LEU A 14 -6.192 5.099 -5.235 1.00 0.00 N ATOM 203 CA LEU A 14 -7.286 5.859 -5.789 1.00 0.00 C ATOM 204 C LEU A 14 -7.325 7.282 -5.276 1.00 0.00 C ATOM 205 O LEU A 14 -7.655 8.189 -6.019 1.00 0.00 O ATOM 206 CB LEU A 14 -8.654 5.169 -5.600 1.00 0.00 C ATOM 207 CG LEU A 14 -8.977 3.973 -6.528 1.00 0.00 C ATOM 208 CD1 LEU A 14 -8.076 2.774 -6.277 1.00 0.00 C ATOM 209 CD2 LEU A 14 -10.441 3.581 -6.407 1.00 0.00 C ATOM 0 H LEU A 14 -6.330 4.801 -4.269 1.00 0.00 H new ATOM 0 HA LEU A 14 -7.091 5.901 -6.861 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -8.718 4.823 -4.568 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -9.433 5.920 -5.733 1.00 0.00 H new ATOM 0 HG LEU A 14 -8.782 4.304 -7.548 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -8.348 1.966 -6.956 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -7.037 3.057 -6.448 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -8.196 2.438 -5.247 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -10.648 2.739 -7.067 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -10.658 3.297 -5.377 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -11.069 4.426 -6.690 1.00 0.00 H new ATOM 221 N ASP A 15 -6.959 7.492 -4.025 1.00 0.00 N ATOM 222 CA ASP A 15 -7.097 8.829 -3.448 1.00 0.00 C ATOM 223 C ASP A 15 -5.838 9.228 -2.712 1.00 0.00 C ATOM 224 O ASP A 15 -5.116 8.379 -2.162 1.00 0.00 O ATOM 225 CB ASP A 15 -8.268 8.900 -2.456 1.00 0.00 C ATOM 226 CG ASP A 15 -9.618 8.455 -3.006 1.00 0.00 C ATOM 227 OD1 ASP A 15 -9.899 7.218 -2.987 1.00 0.00 O ATOM 228 OD2 ASP A 15 -10.405 9.307 -3.416 1.00 0.00 O ATOM 0 H ASP A 15 -6.575 6.783 -3.400 1.00 0.00 H new ATOM 0 HA ASP A 15 -7.283 9.509 -4.279 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -8.026 8.284 -1.590 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -8.360 9.926 -2.101 1.00 0.00 H new ATOM 233 N THR A 16 -5.585 10.505 -2.678 1.00 0.00 N ATOM 234 CA THR A 16 -4.450 11.065 -1.989 1.00 0.00 C ATOM 235 C THR A 16 -4.914 11.628 -0.647 1.00 0.00 C ATOM 236 O THR A 16 -5.865 12.418 -0.608 1.00 0.00 O ATOM 237 CB THR A 16 -3.847 12.199 -2.843 1.00 0.00 C ATOM 238 OG1 THR A 16 -4.898 13.108 -3.223 1.00 0.00 O ATOM 239 CG2 THR A 16 -3.195 11.643 -4.096 1.00 0.00 C ATOM 0 H THR A 16 -6.171 11.203 -3.136 1.00 0.00 H new ATOM 0 HA THR A 16 -3.696 10.295 -1.824 1.00 0.00 H new ATOM 0 HB THR A 16 -3.088 12.716 -2.255 1.00 0.00 H new ATOM 0 HG1 THR A 16 -5.543 13.187 -2.490 1.00 0.00 H new ATOM 0 HG21 THR A 16 -2.777 12.461 -4.682 1.00 0.00 H new ATOM 0 HG22 THR A 16 -2.399 10.953 -3.816 1.00 0.00 H new ATOM 0 HG23 THR A 16 -3.941 11.115 -4.690 1.00 0.00 H new ATOM 247 N LEU A 17 -4.270 11.245 0.435 1.00 0.00 N ATOM 248 CA LEU A 17 -4.700 11.684 1.744 1.00 0.00 C ATOM 249 C LEU A 17 -3.676 12.681 2.327 1.00 0.00 C ATOM 250 O LEU A 17 -2.491 12.645 1.975 1.00 0.00 O ATOM 251 CB LEU A 17 -4.873 10.492 2.717 1.00 0.00 C ATOM 252 CG LEU A 17 -5.746 9.291 2.283 1.00 0.00 C ATOM 253 CD1 LEU A 17 -5.976 8.361 3.462 1.00 0.00 C ATOM 254 CD2 LEU A 17 -7.068 9.735 1.670 1.00 0.00 C ATOM 0 H LEU A 17 -3.453 10.635 0.434 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.668 12.171 1.629 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -3.879 10.110 2.949 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -5.289 10.883 3.646 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.206 8.750 1.506 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -6.592 7.519 3.146 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -5.017 7.993 3.828 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -6.484 8.903 4.259 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -7.647 8.858 1.380 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -7.631 10.317 2.400 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -6.873 10.348 0.790 1.00 0.00 H new ATOM 266 N PRO A 18 -4.119 13.622 3.175 1.00 0.00 N ATOM 267 CA PRO A 18 -3.220 14.570 3.843 1.00 0.00 C ATOM 268 C PRO A 18 -2.185 13.868 4.751 1.00 0.00 C ATOM 269 O PRO A 18 -2.413 12.751 5.217 1.00 0.00 O ATOM 270 CB PRO A 18 -4.164 15.434 4.697 1.00 0.00 C ATOM 271 CG PRO A 18 -5.510 15.251 4.093 1.00 0.00 C ATOM 272 CD PRO A 18 -5.530 13.857 3.545 1.00 0.00 C ATOM 0 HA PRO A 18 -2.634 15.137 3.120 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -4.153 15.117 5.740 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -3.863 16.482 4.680 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -6.294 15.389 4.838 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -5.687 15.983 3.305 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -5.878 13.137 4.286 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -6.192 13.772 2.683 1.00 0.00 H new ATOM 280 N ASN A 19 -1.028 14.529 4.934 1.00 0.00 N ATOM 281 CA ASN A 19 0.074 14.068 5.830 1.00 0.00 C ATOM 282 C ASN A 19 0.833 12.869 5.222 1.00 0.00 C ATOM 283 O ASN A 19 1.444 12.046 5.928 1.00 0.00 O ATOM 284 CB ASN A 19 -0.452 13.775 7.268 1.00 0.00 C ATOM 285 CG ASN A 19 0.653 13.527 8.296 1.00 0.00 C ATOM 286 OD1 ASN A 19 1.758 14.049 8.183 1.00 0.00 O ATOM 287 ND2 ASN A 19 0.355 12.744 9.304 1.00 0.00 N ATOM 0 H ASN A 19 -0.819 15.409 4.463 1.00 0.00 H new ATOM 0 HA ASN A 19 0.796 14.880 5.918 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -1.060 14.616 7.600 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -1.105 12.903 7.234 1.00 0.00 H new ATOM 0 HD21 ASN A 19 1.051 12.553 10.024 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -0.573 12.326 9.368 1.00 0.00 H new ATOM 294 N ALA A 20 0.817 12.812 3.885 1.00 0.00 N ATOM 295 CA ALA A 20 1.546 11.807 3.093 1.00 0.00 C ATOM 296 C ALA A 20 0.916 10.418 3.219 1.00 0.00 C ATOM 297 O ALA A 20 1.584 9.379 3.019 1.00 0.00 O ATOM 298 CB ALA A 20 3.043 11.798 3.437 1.00 0.00 C ATOM 0 H ALA A 20 0.290 13.471 3.312 1.00 0.00 H new ATOM 0 HA ALA A 20 1.462 12.094 2.045 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.550 11.045 2.834 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.470 12.779 3.227 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.172 11.564 4.494 1.00 0.00 H new ATOM 304 N MET A 21 -0.357 10.408 3.550 1.00 0.00 N ATOM 305 CA MET A 21 -1.150 9.201 3.556 1.00 0.00 C ATOM 306 C MET A 21 -1.705 8.989 2.167 1.00 0.00 C ATOM 307 O MET A 21 -1.933 9.941 1.434 1.00 0.00 O ATOM 308 CB MET A 21 -2.339 9.292 4.525 1.00 0.00 C ATOM 309 CG MET A 21 -2.107 8.901 5.963 1.00 0.00 C ATOM 310 SD MET A 21 -0.918 9.924 6.846 1.00 0.00 S ATOM 311 CE MET A 21 -1.069 9.246 8.499 1.00 0.00 C ATOM 0 H MET A 21 -0.873 11.244 3.824 1.00 0.00 H new ATOM 0 HA MET A 21 -0.507 8.381 3.874 1.00 0.00 H new ATOM 0 HB2 MET A 21 -2.703 10.319 4.512 1.00 0.00 H new ATOM 0 HB3 MET A 21 -3.139 8.665 4.133 1.00 0.00 H new ATOM 0 HG2 MET A 21 -3.059 8.938 6.492 1.00 0.00 H new ATOM 0 HG3 MET A 21 -1.766 7.866 5.992 1.00 0.00 H new ATOM 0 HE1 MET A 21 -0.393 9.774 9.172 1.00 0.00 H new ATOM 0 HE2 MET A 21 -2.095 9.364 8.848 1.00 0.00 H new ATOM 0 HE3 MET A 21 -0.811 8.187 8.483 1.00 0.00 H new ATOM 321 N PHE A 22 -1.889 7.781 1.792 1.00 0.00 N ATOM 322 CA PHE A 22 -2.491 7.471 0.533 1.00 0.00 C ATOM 323 C PHE A 22 -3.515 6.396 0.724 1.00 0.00 C ATOM 324 O PHE A 22 -3.296 5.450 1.495 1.00 0.00 O ATOM 325 CB PHE A 22 -1.446 7.065 -0.526 1.00 0.00 C ATOM 326 CG PHE A 22 -0.610 8.217 -1.031 1.00 0.00 C ATOM 327 CD1 PHE A 22 0.523 8.628 -0.352 1.00 0.00 C ATOM 328 CD2 PHE A 22 -0.973 8.897 -2.180 1.00 0.00 C ATOM 329 CE1 PHE A 22 1.274 9.691 -0.811 1.00 0.00 C ATOM 330 CE2 PHE A 22 -0.222 9.961 -2.639 1.00 0.00 C ATOM 331 CZ PHE A 22 0.902 10.358 -1.953 1.00 0.00 C ATOM 0 H PHE A 22 -1.628 6.966 2.347 1.00 0.00 H new ATOM 0 HA PHE A 22 -2.978 8.370 0.155 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -0.786 6.309 -0.101 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -1.958 6.603 -1.370 1.00 0.00 H new ATOM 0 HD1 PHE A 22 0.823 8.111 0.548 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -1.854 8.592 -2.724 1.00 0.00 H new ATOM 0 HE1 PHE A 22 2.157 9.999 -0.271 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -0.518 10.482 -3.538 1.00 0.00 H new ATOM 0 HZ PHE A 22 1.490 11.191 -2.311 1.00 0.00 H new ATOM 341 N LYS A 23 -4.633 6.555 0.073 1.00 0.00 N ATOM 342 CA LYS A 23 -5.681 5.580 0.130 1.00 0.00 C ATOM 343 C LYS A 23 -5.511 4.666 -1.036 1.00 0.00 C ATOM 344 O LYS A 23 -5.754 5.042 -2.203 1.00 0.00 O ATOM 345 CB LYS A 23 -7.055 6.229 0.125 1.00 0.00 C ATOM 346 CG LYS A 23 -8.196 5.245 -0.061 1.00 0.00 C ATOM 347 CD LYS A 23 -9.534 5.940 -0.052 1.00 0.00 C ATOM 348 CE LYS A 23 -10.605 5.063 -0.673 1.00 0.00 C ATOM 349 NZ LYS A 23 -10.311 4.796 -2.101 1.00 0.00 N ATOM 0 H LYS A 23 -4.842 7.365 -0.511 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.615 5.020 1.063 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -7.198 6.763 1.064 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -7.093 6.971 -0.673 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -8.068 4.712 -1.003 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -8.167 4.499 0.733 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -9.812 6.189 0.972 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -9.464 6.879 -0.601 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -10.669 4.121 -0.129 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -11.576 5.550 -0.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -11.099 4.266 -2.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -10.190 5.698 -2.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -9.438 4.237 -2.177 1.00 0.00 H new ATOM 363 N VAL A 24 -5.045 3.518 -0.743 1.00 0.00 N ATOM 364 CA VAL A 24 -4.725 2.567 -1.750 1.00 0.00 C ATOM 365 C VAL A 24 -5.649 1.391 -1.630 1.00 0.00 C ATOM 366 O VAL A 24 -6.000 0.985 -0.539 1.00 0.00 O ATOM 367 CB VAL A 24 -3.235 2.096 -1.635 1.00 0.00 C ATOM 368 CG1 VAL A 24 -2.807 1.217 -2.795 1.00 0.00 C ATOM 369 CG2 VAL A 24 -2.280 3.271 -1.440 1.00 0.00 C ATOM 0 H VAL A 24 -4.870 3.200 0.210 1.00 0.00 H new ATOM 0 HA VAL A 24 -4.849 3.037 -2.725 1.00 0.00 H new ATOM 0 HB VAL A 24 -3.180 1.477 -0.739 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -1.766 0.921 -2.662 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -3.436 0.328 -2.829 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -2.911 1.770 -3.728 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -1.258 2.900 -1.365 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -2.359 3.949 -2.290 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -2.541 3.804 -0.526 1.00 0.00 H new ATOM 379 N GLU A 25 -6.078 0.891 -2.722 1.00 0.00 N ATOM 380 CA GLU A 25 -6.845 -0.287 -2.728 1.00 0.00 C ATOM 381 C GLU A 25 -6.010 -1.415 -3.230 1.00 0.00 C ATOM 382 O GLU A 25 -5.266 -1.275 -4.200 1.00 0.00 O ATOM 383 CB GLU A 25 -8.132 -0.167 -3.542 1.00 0.00 C ATOM 384 CG GLU A 25 -9.316 0.422 -2.782 1.00 0.00 C ATOM 385 CD GLU A 25 -9.132 1.869 -2.324 1.00 0.00 C ATOM 386 OE1 GLU A 25 -9.031 2.770 -3.177 1.00 0.00 O ATOM 387 OE2 GLU A 25 -9.125 2.136 -1.117 1.00 0.00 O ATOM 0 H GLU A 25 -5.905 1.292 -3.644 1.00 0.00 H new ATOM 0 HA GLU A 25 -7.157 -0.477 -1.701 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.936 0.452 -4.417 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -8.408 -1.156 -3.907 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -10.200 0.367 -3.417 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -9.512 -0.198 -1.908 1.00 0.00 H new ATOM 394 N LEU A 26 -6.074 -2.503 -2.539 1.00 0.00 N ATOM 395 CA LEU A 26 -5.394 -3.699 -2.958 1.00 0.00 C ATOM 396 C LEU A 26 -6.060 -4.226 -4.199 1.00 0.00 C ATOM 397 O LEU A 26 -7.235 -3.957 -4.429 1.00 0.00 O ATOM 398 CB LEU A 26 -5.443 -4.771 -1.865 1.00 0.00 C ATOM 399 CG LEU A 26 -4.595 -4.524 -0.625 1.00 0.00 C ATOM 400 CD1 LEU A 26 -4.870 -5.596 0.417 1.00 0.00 C ATOM 401 CD2 LEU A 26 -3.118 -4.523 -0.995 1.00 0.00 C ATOM 0 H LEU A 26 -6.596 -2.596 -1.668 1.00 0.00 H new ATOM 0 HA LEU A 26 -4.350 -3.458 -3.156 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -6.480 -4.888 -1.550 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.134 -5.719 -2.305 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.855 -3.551 -0.208 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.259 -5.410 1.300 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.924 -5.572 0.694 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.625 -6.575 0.005 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.519 -4.346 -0.102 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.850 -5.488 -1.426 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.926 -3.735 -1.723 1.00 0.00 H new ATOM 413 N GLU A 27 -5.345 -5.030 -4.949 1.00 0.00 N ATOM 414 CA GLU A 27 -5.852 -5.637 -6.194 1.00 0.00 C ATOM 415 C GLU A 27 -7.032 -6.604 -5.899 1.00 0.00 C ATOM 416 O GLU A 27 -7.682 -7.120 -6.794 1.00 0.00 O ATOM 417 CB GLU A 27 -4.708 -6.386 -6.877 1.00 0.00 C ATOM 418 CG GLU A 27 -3.428 -5.558 -7.018 1.00 0.00 C ATOM 419 CD GLU A 27 -3.586 -4.309 -7.873 1.00 0.00 C ATOM 420 OE1 GLU A 27 -4.104 -3.282 -7.376 1.00 0.00 O ATOM 421 OE2 GLU A 27 -3.136 -4.317 -9.024 1.00 0.00 O ATOM 0 H GLU A 27 -4.385 -5.294 -4.726 1.00 0.00 H new ATOM 0 HA GLU A 27 -6.225 -4.852 -6.852 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -4.485 -7.289 -6.308 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -5.034 -6.706 -7.867 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -3.087 -5.265 -6.025 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -2.648 -6.185 -7.451 1.00 0.00 H new ATOM 428 N ASN A 28 -7.275 -6.829 -4.615 1.00 0.00 N ATOM 429 CA ASN A 28 -8.367 -7.666 -4.133 1.00 0.00 C ATOM 430 C ASN A 28 -9.631 -6.779 -3.972 1.00 0.00 C ATOM 431 O ASN A 28 -10.720 -7.268 -3.707 1.00 0.00 O ATOM 432 CB ASN A 28 -7.952 -8.258 -2.758 1.00 0.00 C ATOM 433 CG ASN A 28 -8.774 -9.464 -2.240 1.00 0.00 C ATOM 434 OD1 ASN A 28 -8.246 -10.292 -1.525 1.00 0.00 O ATOM 435 ND2 ASN A 28 -10.037 -9.561 -2.561 1.00 0.00 N ATOM 0 H ASN A 28 -6.710 -6.429 -3.866 1.00 0.00 H new ATOM 0 HA ASN A 28 -8.581 -8.476 -4.830 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -6.907 -8.561 -2.820 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -8.010 -7.463 -2.015 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -10.594 -10.340 -2.210 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -10.466 -8.858 -3.162 1.00 0.00 H new ATOM 442 N GLY A 29 -9.461 -5.473 -4.136 1.00 0.00 N ATOM 443 CA GLY A 29 -10.578 -4.549 -4.024 1.00 0.00 C ATOM 444 C GLY A 29 -10.795 -4.035 -2.609 1.00 0.00 C ATOM 445 O GLY A 29 -11.817 -3.443 -2.318 1.00 0.00 O ATOM 0 H GLY A 29 -8.565 -5.033 -4.346 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -10.408 -3.702 -4.689 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -11.486 -5.045 -4.366 1.00 0.00 H new ATOM 449 N HIS A 30 -9.857 -4.307 -1.718 1.00 0.00 N ATOM 450 CA HIS A 30 -9.981 -3.861 -0.347 1.00 0.00 C ATOM 451 C HIS A 30 -9.224 -2.571 -0.178 1.00 0.00 C ATOM 452 O HIS A 30 -8.247 -2.344 -0.877 1.00 0.00 O ATOM 453 CB HIS A 30 -9.426 -4.900 0.605 1.00 0.00 C ATOM 454 CG HIS A 30 -10.003 -4.804 1.996 1.00 0.00 C ATOM 455 ND1 HIS A 30 -11.286 -5.191 2.303 1.00 0.00 N ATOM 456 CD2 HIS A 30 -9.483 -4.302 3.138 1.00 0.00 C ATOM 457 CE1 HIS A 30 -11.526 -4.923 3.570 1.00 0.00 C ATOM 458 NE2 HIS A 30 -10.454 -4.379 4.100 1.00 0.00 N ATOM 0 H HIS A 30 -9.006 -4.832 -1.921 1.00 0.00 H new ATOM 0 HA HIS A 30 -11.036 -3.709 -0.119 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -9.626 -5.894 0.204 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -8.343 -4.790 0.660 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -8.484 -3.912 3.268 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -12.453 -5.119 4.089 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -10.361 -4.066 5.066 1.00 0.00 H new ATOM 467 N GLU A 31 -9.592 -1.829 0.798 1.00 0.00 N ATOM 468 CA GLU A 31 -9.038 -0.553 1.079 1.00 0.00 C ATOM 469 C GLU A 31 -7.933 -0.695 2.121 1.00 0.00 C ATOM 470 O GLU A 31 -8.034 -1.505 3.062 1.00 0.00 O ATOM 471 CB GLU A 31 -10.165 0.366 1.627 1.00 0.00 C ATOM 472 CG GLU A 31 -10.693 0.037 3.062 1.00 0.00 C ATOM 473 CD GLU A 31 -11.262 -1.370 3.280 1.00 0.00 C ATOM 474 OE1 GLU A 31 -11.759 -2.001 2.320 1.00 0.00 O ATOM 475 OE2 GLU A 31 -11.169 -1.891 4.421 1.00 0.00 O ATOM 0 H GLU A 31 -10.322 -2.105 1.455 1.00 0.00 H new ATOM 0 HA GLU A 31 -8.615 -0.119 0.173 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -9.800 1.393 1.624 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -11.006 0.325 0.935 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -9.876 0.187 3.768 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -11.468 0.761 3.314 1.00 0.00 H new ATOM 482 N ILE A 32 -6.861 -0.003 1.907 1.00 0.00 N ATOM 483 CA ILE A 32 -5.763 0.039 2.831 1.00 0.00 C ATOM 484 C ILE A 32 -5.232 1.460 2.905 1.00 0.00 C ATOM 485 O ILE A 32 -5.318 2.231 1.935 1.00 0.00 O ATOM 486 CB ILE A 32 -4.597 -0.936 2.451 1.00 0.00 C ATOM 487 CG1 ILE A 32 -4.133 -0.681 1.028 1.00 0.00 C ATOM 488 CG2 ILE A 32 -5.015 -2.394 2.614 1.00 0.00 C ATOM 489 CD1 ILE A 32 -2.872 -1.405 0.644 1.00 0.00 C ATOM 0 H ILE A 32 -6.717 0.562 1.070 1.00 0.00 H new ATOM 0 HA ILE A 32 -6.143 -0.289 3.798 1.00 0.00 H new ATOM 0 HB ILE A 32 -3.769 -0.744 3.134 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -4.928 -0.973 0.342 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -3.977 0.390 0.897 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -4.183 -3.044 2.342 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -5.295 -2.578 3.651 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -5.866 -2.603 1.965 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -2.614 -1.165 -0.388 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -2.060 -1.096 1.302 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -3.026 -2.480 0.739 1.00 0.00 H new ATOM 501 N LEU A 33 -4.709 1.822 4.023 1.00 0.00 N ATOM 502 CA LEU A 33 -4.149 3.126 4.175 1.00 0.00 C ATOM 503 C LEU A 33 -2.657 2.985 4.196 1.00 0.00 C ATOM 504 O LEU A 33 -2.106 2.243 5.008 1.00 0.00 O ATOM 505 CB LEU A 33 -4.653 3.777 5.463 1.00 0.00 C ATOM 506 CG LEU A 33 -6.174 3.953 5.572 1.00 0.00 C ATOM 507 CD1 LEU A 33 -6.549 4.527 6.926 1.00 0.00 C ATOM 508 CD2 LEU A 33 -6.700 4.850 4.456 1.00 0.00 C ATOM 0 H LEU A 33 -4.655 1.232 4.853 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.451 3.768 3.347 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.314 3.177 6.308 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.185 4.757 5.560 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.634 2.970 5.469 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.631 4.645 6.984 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.214 3.851 7.713 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.071 5.498 7.054 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.780 4.959 4.555 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.228 5.830 4.524 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.468 4.402 3.490 1.00 0.00 H new ATOM 520 N ALA A 34 -2.002 3.679 3.339 1.00 0.00 N ATOM 521 CA ALA A 34 -0.587 3.556 3.233 1.00 0.00 C ATOM 522 C ALA A 34 0.077 4.887 3.426 1.00 0.00 C ATOM 523 O ALA A 34 -0.559 5.931 3.292 1.00 0.00 O ATOM 524 CB ALA A 34 -0.215 2.945 1.896 1.00 0.00 C ATOM 0 H ALA A 34 -2.424 4.346 2.693 1.00 0.00 H new ATOM 0 HA ALA A 34 -0.232 2.893 4.022 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.869 2.856 1.826 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -0.667 1.957 1.809 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -0.579 3.583 1.091 1.00 0.00 H new ATOM 530 N HIS A 35 1.325 4.862 3.782 1.00 0.00 N ATOM 531 CA HIS A 35 2.073 6.067 3.959 1.00 0.00 C ATOM 532 C HIS A 35 3.331 5.966 3.140 1.00 0.00 C ATOM 533 O HIS A 35 3.972 4.917 3.106 1.00 0.00 O ATOM 534 CB HIS A 35 2.459 6.249 5.429 1.00 0.00 C ATOM 535 CG HIS A 35 2.786 7.671 5.808 1.00 0.00 C ATOM 536 ND1 HIS A 35 4.014 8.267 5.616 1.00 0.00 N ATOM 537 CD2 HIS A 35 2.012 8.613 6.377 1.00 0.00 C ATOM 538 CE1 HIS A 35 3.968 9.508 6.059 1.00 0.00 C ATOM 539 NE2 HIS A 35 2.765 9.742 6.523 1.00 0.00 N ATOM 0 H HIS A 35 1.852 4.007 3.958 1.00 0.00 H new ATOM 0 HA HIS A 35 1.466 6.917 3.645 1.00 0.00 H new ATOM 0 HB2 HIS A 35 1.639 5.897 6.055 1.00 0.00 H new ATOM 0 HB3 HIS A 35 3.321 5.619 5.648 1.00 0.00 H new ATOM 0 HD1 HIS A 35 4.829 7.819 5.197 1.00 0.00 H new ATOM 0 HD2 HIS A 35 0.978 8.496 6.667 1.00 0.00 H new ATOM 0 HE1 HIS A 35 4.785 10.214 6.042 1.00 0.00 H new ATOM 0 HE2 HIS A 35 2.444 10.622 6.927 1.00 0.00 H new ATOM 548 N VAL A 36 3.692 7.026 2.508 1.00 0.00 N ATOM 549 CA VAL A 36 4.917 7.065 1.744 1.00 0.00 C ATOM 550 C VAL A 36 6.095 7.353 2.652 1.00 0.00 C ATOM 551 O VAL A 36 5.939 7.981 3.715 1.00 0.00 O ATOM 552 CB VAL A 36 4.877 8.060 0.572 1.00 0.00 C ATOM 553 CG1 VAL A 36 3.943 7.556 -0.512 1.00 0.00 C ATOM 554 CG2 VAL A 36 4.448 9.438 1.050 1.00 0.00 C ATOM 0 H VAL A 36 3.158 7.895 2.497 1.00 0.00 H new ATOM 0 HA VAL A 36 5.035 6.078 1.298 1.00 0.00 H new ATOM 0 HB VAL A 36 5.881 8.144 0.155 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.923 8.269 -1.336 1.00 0.00 H new ATOM 0 HG12 VAL A 36 4.295 6.591 -0.876 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.938 7.445 -0.104 1.00 0.00 H new ATOM 0 HG21 VAL A 36 4.427 10.126 0.205 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.454 9.376 1.493 1.00 0.00 H new ATOM 0 HG23 VAL A 36 5.155 9.801 1.795 1.00 0.00 H new ATOM 564 N SER A 37 7.230 6.811 2.299 1.00 0.00 N ATOM 565 CA SER A 37 8.439 6.959 3.077 1.00 0.00 C ATOM 566 C SER A 37 8.887 8.424 3.120 1.00 0.00 C ATOM 567 O SER A 37 8.455 9.257 2.292 1.00 0.00 O ATOM 568 CB SER A 37 9.563 6.110 2.474 1.00 0.00 C ATOM 569 OG SER A 37 9.948 6.612 1.200 1.00 0.00 O ATOM 0 H SER A 37 7.346 6.248 1.456 1.00 0.00 H new ATOM 0 HA SER A 37 8.226 6.623 4.092 1.00 0.00 H new ATOM 0 HB2 SER A 37 10.423 6.108 3.144 1.00 0.00 H new ATOM 0 HB3 SER A 37 9.232 5.076 2.377 1.00 0.00 H new ATOM 0 HG SER A 37 10.668 6.057 0.833 1.00 0.00 H new ATOM 575 N GLY A 38 9.731 8.737 4.094 1.00 0.00 N ATOM 576 CA GLY A 38 10.289 10.065 4.223 1.00 0.00 C ATOM 577 C GLY A 38 11.041 10.511 2.974 1.00 0.00 C ATOM 578 O GLY A 38 11.203 11.699 2.751 1.00 0.00 O ATOM 0 H GLY A 38 10.043 8.079 4.809 1.00 0.00 H new ATOM 0 HA2 GLY A 38 9.487 10.773 4.431 1.00 0.00 H new ATOM 0 HA3 GLY A 38 10.965 10.089 5.077 1.00 0.00 H new ATOM 582 N LYS A 39 11.441 9.547 2.126 1.00 0.00 N ATOM 583 CA LYS A 39 12.168 9.850 0.905 1.00 0.00 C ATOM 584 C LYS A 39 11.248 10.607 -0.048 1.00 0.00 C ATOM 585 O LYS A 39 11.643 11.584 -0.681 1.00 0.00 O ATOM 586 CB LYS A 39 12.654 8.544 0.256 1.00 0.00 C ATOM 587 CG LYS A 39 13.423 8.718 -1.047 1.00 0.00 C ATOM 588 CD LYS A 39 13.794 7.368 -1.641 1.00 0.00 C ATOM 589 CE LYS A 39 14.526 7.517 -2.966 1.00 0.00 C ATOM 590 NZ LYS A 39 14.860 6.194 -3.563 1.00 0.00 N ATOM 0 H LYS A 39 11.267 8.553 2.274 1.00 0.00 H new ATOM 0 HA LYS A 39 13.036 10.469 1.133 1.00 0.00 H new ATOM 0 HB2 LYS A 39 13.290 8.017 0.968 1.00 0.00 H new ATOM 0 HB3 LYS A 39 11.790 7.906 0.068 1.00 0.00 H new ATOM 0 HG2 LYS A 39 12.818 9.280 -1.759 1.00 0.00 H new ATOM 0 HG3 LYS A 39 14.326 9.301 -0.866 1.00 0.00 H new ATOM 0 HD2 LYS A 39 14.422 6.822 -0.938 1.00 0.00 H new ATOM 0 HD3 LYS A 39 12.891 6.775 -1.789 1.00 0.00 H new ATOM 0 HE2 LYS A 39 13.908 8.084 -3.662 1.00 0.00 H new ATOM 0 HE3 LYS A 39 15.441 8.089 -2.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 15.358 6.336 -4.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 15.471 5.663 -2.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 13.985 5.658 -3.732 1.00 0.00 H new ATOM 604 N ILE A 40 10.018 10.165 -0.099 1.00 0.00 N ATOM 605 CA ILE A 40 9.010 10.769 -0.930 1.00 0.00 C ATOM 606 C ILE A 40 8.489 12.054 -0.298 1.00 0.00 C ATOM 607 O ILE A 40 8.387 13.082 -0.966 1.00 0.00 O ATOM 608 CB ILE A 40 7.862 9.750 -1.237 1.00 0.00 C ATOM 609 CG1 ILE A 40 8.292 8.803 -2.359 1.00 0.00 C ATOM 610 CG2 ILE A 40 6.551 10.435 -1.580 1.00 0.00 C ATOM 611 CD1 ILE A 40 7.331 7.658 -2.619 1.00 0.00 C ATOM 0 H ILE A 40 9.685 9.367 0.441 1.00 0.00 H new ATOM 0 HA ILE A 40 9.460 11.042 -1.885 1.00 0.00 H new ATOM 0 HB ILE A 40 7.682 9.175 -0.329 1.00 0.00 H new ATOM 0 HG12 ILE A 40 8.409 9.378 -3.278 1.00 0.00 H new ATOM 0 HG13 ILE A 40 9.271 8.391 -2.114 1.00 0.00 H new ATOM 0 HG21 ILE A 40 5.790 9.682 -1.784 1.00 0.00 H new ATOM 0 HG22 ILE A 40 6.234 11.054 -0.741 1.00 0.00 H new ATOM 0 HG23 ILE A 40 6.687 11.061 -2.462 1.00 0.00 H new ATOM 0 HD11 ILE A 40 7.715 7.038 -3.429 1.00 0.00 H new ATOM 0 HD12 ILE A 40 7.231 7.055 -1.717 1.00 0.00 H new ATOM 0 HD13 ILE A 40 6.356 8.058 -2.898 1.00 0.00 H new ATOM 623 N ARG A 41 8.236 11.999 1.002 1.00 0.00 N ATOM 624 CA ARG A 41 7.697 13.138 1.737 1.00 0.00 C ATOM 625 C ARG A 41 8.658 14.326 1.660 1.00 0.00 C ATOM 626 O ARG A 41 8.227 15.469 1.448 1.00 0.00 O ATOM 627 CB ARG A 41 7.416 12.723 3.216 1.00 0.00 C ATOM 628 CG ARG A 41 6.577 13.705 4.098 1.00 0.00 C ATOM 629 CD ARG A 41 7.403 14.728 4.929 1.00 0.00 C ATOM 630 NE ARG A 41 8.047 15.780 4.129 1.00 0.00 N ATOM 631 CZ ARG A 41 8.989 16.638 4.562 1.00 0.00 C ATOM 632 NH1 ARG A 41 9.383 16.630 5.840 1.00 0.00 N ATOM 633 NH2 ARG A 41 9.529 17.505 3.705 1.00 0.00 N ATOM 0 H ARG A 41 8.397 11.171 1.575 1.00 0.00 H new ATOM 0 HA ARG A 41 6.755 13.449 1.285 1.00 0.00 H new ATOM 0 HB2 ARG A 41 6.903 11.761 3.203 1.00 0.00 H new ATOM 0 HB3 ARG A 41 8.376 12.566 3.709 1.00 0.00 H new ATOM 0 HG2 ARG A 41 5.895 14.256 3.450 1.00 0.00 H new ATOM 0 HG3 ARG A 41 5.964 13.118 4.782 1.00 0.00 H new ATOM 0 HD2 ARG A 41 6.747 15.196 5.662 1.00 0.00 H new ATOM 0 HD3 ARG A 41 8.171 14.190 5.486 1.00 0.00 H new ATOM 0 HE ARG A 41 7.753 15.868 3.156 1.00 0.00 H new ATOM 0 HH11 ARG A 41 8.969 15.969 6.497 1.00 0.00 H new ATOM 0 HH12 ARG A 41 10.098 17.285 6.157 1.00 0.00 H new ATOM 0 HH21 ARG A 41 9.227 17.514 2.731 1.00 0.00 H new ATOM 0 HH22 ARG A 41 10.244 18.159 4.024 1.00 0.00 H new ATOM 647 N MET A 42 9.945 14.068 1.831 1.00 0.00 N ATOM 648 CA MET A 42 10.939 15.138 1.880 1.00 0.00 C ATOM 649 C MET A 42 11.161 15.779 0.516 1.00 0.00 C ATOM 650 O MET A 42 11.336 16.980 0.428 1.00 0.00 O ATOM 651 CB MET A 42 12.266 14.648 2.471 1.00 0.00 C ATOM 652 CG MET A 42 13.293 15.754 2.697 1.00 0.00 C ATOM 653 SD MET A 42 12.719 17.004 3.877 1.00 0.00 S ATOM 654 CE MET A 42 14.120 18.125 3.876 1.00 0.00 C ATOM 0 H MET A 42 10.329 13.129 1.938 1.00 0.00 H new ATOM 0 HA MET A 42 10.536 15.906 2.541 1.00 0.00 H new ATOM 0 HB2 MET A 42 12.067 14.152 3.421 1.00 0.00 H new ATOM 0 HB3 MET A 42 12.694 13.900 1.804 1.00 0.00 H new ATOM 0 HG2 MET A 42 14.221 15.314 3.061 1.00 0.00 H new ATOM 0 HG3 MET A 42 13.520 16.235 1.745 1.00 0.00 H new ATOM 0 HE1 MET A 42 13.924 18.954 4.556 1.00 0.00 H new ATOM 0 HE2 MET A 42 15.013 17.592 4.202 1.00 0.00 H new ATOM 0 HE3 MET A 42 14.276 18.512 2.869 1.00 0.00 H new ATOM 664 N ASN A 43 11.098 14.985 -0.536 1.00 0.00 N ATOM 665 CA ASN A 43 11.340 15.502 -1.895 1.00 0.00 C ATOM 666 C ASN A 43 10.056 15.985 -2.540 1.00 0.00 C ATOM 667 O ASN A 43 10.052 16.435 -3.679 1.00 0.00 O ATOM 668 CB ASN A 43 12.037 14.461 -2.793 1.00 0.00 C ATOM 669 CG ASN A 43 13.481 14.198 -2.393 1.00 0.00 C ATOM 670 OD1 ASN A 43 14.392 14.866 -2.847 1.00 0.00 O ATOM 671 ND2 ASN A 43 13.704 13.208 -1.563 1.00 0.00 N ATOM 0 H ASN A 43 10.885 13.989 -0.491 1.00 0.00 H new ATOM 0 HA ASN A 43 12.013 16.353 -1.791 1.00 0.00 H new ATOM 0 HB2 ASN A 43 11.479 13.525 -2.754 1.00 0.00 H new ATOM 0 HB3 ASN A 43 12.010 14.806 -3.827 1.00 0.00 H new ATOM 0 HD21 ASN A 43 14.659 12.982 -1.283 1.00 0.00 H new ATOM 0 HD22 ASN A 43 12.923 12.664 -1.197 1.00 0.00 H new ATOM 761 N LEU A 48 0.264 9.482 -7.880 1.00 0.00 N ATOM 762 CA LEU A 48 -0.948 9.914 -8.528 1.00 0.00 C ATOM 763 C LEU A 48 -2.024 8.826 -8.411 1.00 0.00 C ATOM 764 O LEU A 48 -1.706 7.645 -8.486 1.00 0.00 O ATOM 765 CB LEU A 48 -0.648 10.184 -10.013 1.00 0.00 C ATOM 766 CG LEU A 48 -1.792 10.752 -10.855 1.00 0.00 C ATOM 767 CD1 LEU A 48 -2.095 12.194 -10.464 1.00 0.00 C ATOM 768 CD2 LEU A 48 -1.471 10.652 -12.337 1.00 0.00 C ATOM 0 HA LEU A 48 -1.313 10.823 -8.049 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.192 10.876 -10.070 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -0.322 9.249 -10.469 1.00 0.00 H new ATOM 0 HG LEU A 48 -2.683 10.156 -10.658 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.912 12.573 -11.078 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.382 12.233 -9.413 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.208 12.808 -10.621 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.298 11.062 -12.917 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.563 11.216 -12.551 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.321 9.607 -12.607 1.00 0.00 H new ATOM 780 N PRO A 49 -3.293 9.185 -8.122 1.00 0.00 N ATOM 781 CA PRO A 49 -4.401 8.237 -8.208 1.00 0.00 C ATOM 782 C PRO A 49 -4.377 7.505 -9.562 1.00 0.00 C ATOM 783 O PRO A 49 -4.337 8.129 -10.629 1.00 0.00 O ATOM 784 CB PRO A 49 -5.622 9.142 -8.116 1.00 0.00 C ATOM 785 CG PRO A 49 -5.176 10.239 -7.224 1.00 0.00 C ATOM 786 CD PRO A 49 -3.741 10.499 -7.615 1.00 0.00 C ATOM 0 HA PRO A 49 -4.373 7.463 -7.441 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -5.918 9.517 -9.096 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -6.482 8.614 -7.704 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -5.789 11.130 -7.357 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -5.254 9.952 -6.175 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.664 11.274 -8.378 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -3.144 10.829 -6.765 1.00 0.00 H new ATOM 794 N GLY A 50 -4.374 6.200 -9.506 1.00 0.00 N ATOM 795 CA GLY A 50 -4.272 5.407 -10.695 1.00 0.00 C ATOM 796 C GLY A 50 -2.897 4.782 -10.823 1.00 0.00 C ATOM 797 O GLY A 50 -2.616 4.065 -11.789 1.00 0.00 O ATOM 0 H GLY A 50 -4.442 5.663 -8.641 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -5.030 4.624 -10.679 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -4.474 6.028 -11.568 1.00 0.00 H new ATOM 801 N ASP A 51 -2.014 5.129 -9.913 1.00 0.00 N ATOM 802 CA ASP A 51 -0.675 4.538 -9.848 1.00 0.00 C ATOM 803 C ASP A 51 -0.717 3.227 -9.085 1.00 0.00 C ATOM 804 O ASP A 51 -1.617 3.010 -8.249 1.00 0.00 O ATOM 805 CB ASP A 51 0.343 5.487 -9.179 1.00 0.00 C ATOM 806 CG ASP A 51 0.815 6.659 -10.049 1.00 0.00 C ATOM 807 OD1 ASP A 51 0.299 6.833 -11.175 1.00 0.00 O ATOM 808 OD2 ASP A 51 1.746 7.401 -9.614 1.00 0.00 O ATOM 0 H ASP A 51 -2.194 5.828 -9.192 1.00 0.00 H new ATOM 0 HA ASP A 51 -0.350 4.361 -10.873 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -0.103 5.888 -8.269 1.00 0.00 H new ATOM 0 HB3 ASP A 51 1.214 4.905 -8.878 1.00 0.00 H new ATOM 813 N LYS A 52 0.228 2.361 -9.364 1.00 0.00 N ATOM 814 CA LYS A 52 0.332 1.080 -8.696 1.00 0.00 C ATOM 815 C LYS A 52 1.457 1.216 -7.680 1.00 0.00 C ATOM 816 O LYS A 52 2.466 1.845 -7.968 1.00 0.00 O ATOM 817 CB LYS A 52 0.686 -0.015 -9.718 1.00 0.00 C ATOM 818 CG LYS A 52 -0.160 -0.002 -10.997 1.00 0.00 C ATOM 819 CD LYS A 52 -1.660 -0.226 -10.764 1.00 0.00 C ATOM 820 CE LYS A 52 -2.036 -1.686 -10.471 1.00 0.00 C ATOM 821 NZ LYS A 52 -1.549 -2.198 -9.179 1.00 0.00 N ATOM 0 H LYS A 52 0.952 2.524 -10.064 1.00 0.00 H new ATOM 0 HA LYS A 52 -0.608 0.805 -8.217 1.00 0.00 H new ATOM 0 HB2 LYS A 52 1.735 0.090 -9.993 1.00 0.00 H new ATOM 0 HB3 LYS A 52 0.578 -0.988 -9.238 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -0.021 0.955 -11.501 1.00 0.00 H new ATOM 0 HG3 LYS A 52 0.210 -0.774 -11.672 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -1.984 0.396 -9.930 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -2.208 0.110 -11.644 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -3.122 -1.780 -10.498 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -1.641 -2.316 -11.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -2.289 -2.778 -8.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -0.700 -2.779 -9.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -1.314 -1.400 -8.556 1.00 0.00 H new ATOM 835 N VAL A 53 1.323 0.667 -6.522 1.00 0.00 N ATOM 836 CA VAL A 53 2.336 0.873 -5.504 1.00 0.00 C ATOM 837 C VAL A 53 2.699 -0.391 -4.781 1.00 0.00 C ATOM 838 O VAL A 53 1.881 -1.287 -4.601 1.00 0.00 O ATOM 839 CB VAL A 53 1.953 1.951 -4.444 1.00 0.00 C ATOM 840 CG1 VAL A 53 1.841 3.340 -5.055 1.00 0.00 C ATOM 841 CG2 VAL A 53 0.664 1.583 -3.725 1.00 0.00 C ATOM 0 H VAL A 53 0.539 0.077 -6.243 1.00 0.00 H new ATOM 0 HA VAL A 53 3.197 1.232 -6.068 1.00 0.00 H new ATOM 0 HB VAL A 53 2.763 1.975 -3.715 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.573 4.058 -4.280 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.797 3.622 -5.495 1.00 0.00 H new ATOM 0 HG13 VAL A 53 1.073 3.337 -5.828 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.423 2.353 -2.992 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -0.147 1.505 -4.449 1.00 0.00 H new ATOM 0 HG23 VAL A 53 0.791 0.627 -3.217 1.00 0.00 H new ATOM 851 N THR A 54 3.916 -0.441 -4.337 1.00 0.00 N ATOM 852 CA THR A 54 4.365 -1.525 -3.558 1.00 0.00 C ATOM 853 C THR A 54 4.217 -1.110 -2.107 1.00 0.00 C ATOM 854 O THR A 54 4.872 -0.138 -1.632 1.00 0.00 O ATOM 855 CB THR A 54 5.828 -1.833 -3.879 1.00 0.00 C ATOM 856 OG1 THR A 54 5.957 -1.967 -5.303 1.00 0.00 O ATOM 857 CG2 THR A 54 6.272 -3.131 -3.211 1.00 0.00 C ATOM 0 H THR A 54 4.619 0.277 -4.512 1.00 0.00 H new ATOM 0 HA THR A 54 3.787 -2.426 -3.765 1.00 0.00 H new ATOM 0 HB THR A 54 6.455 -1.024 -3.504 1.00 0.00 H new ATOM 0 HG1 THR A 54 6.846 -2.318 -5.519 1.00 0.00 H new ATOM 0 HG21 THR A 54 7.316 -3.327 -3.455 1.00 0.00 H new ATOM 0 HG22 THR A 54 6.163 -3.040 -2.130 1.00 0.00 H new ATOM 0 HG23 THR A 54 5.655 -3.955 -3.570 1.00 0.00 H new ATOM 865 N VAL A 55 3.345 -1.797 -1.431 1.00 0.00 N ATOM 866 CA VAL A 55 3.022 -1.498 -0.082 1.00 0.00 C ATOM 867 C VAL A 55 3.520 -2.604 0.837 1.00 0.00 C ATOM 868 O VAL A 55 3.232 -3.787 0.639 1.00 0.00 O ATOM 869 CB VAL A 55 1.482 -1.239 0.103 1.00 0.00 C ATOM 870 CG1 VAL A 55 0.623 -2.475 -0.193 1.00 0.00 C ATOM 871 CG2 VAL A 55 1.186 -0.698 1.481 1.00 0.00 C ATOM 0 H VAL A 55 2.834 -2.592 -1.814 1.00 0.00 H new ATOM 0 HA VAL A 55 3.530 -0.573 0.192 1.00 0.00 H new ATOM 0 HB VAL A 55 1.208 -0.487 -0.637 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.429 -2.230 -0.047 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.783 -2.790 -1.224 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.904 -3.284 0.482 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.114 -0.528 1.583 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.512 -1.418 2.232 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.718 0.242 1.625 1.00 0.00 H new ATOM 881 N GLU A 56 4.306 -2.221 1.783 1.00 0.00 N ATOM 882 CA GLU A 56 4.825 -3.125 2.767 1.00 0.00 C ATOM 883 C GLU A 56 3.952 -3.012 3.984 1.00 0.00 C ATOM 884 O GLU A 56 3.721 -1.910 4.484 1.00 0.00 O ATOM 885 CB GLU A 56 6.231 -2.708 3.099 1.00 0.00 C ATOM 886 CG GLU A 56 7.137 -2.688 1.894 1.00 0.00 C ATOM 887 CD GLU A 56 8.326 -1.849 2.140 1.00 0.00 C ATOM 888 OE1 GLU A 56 8.250 -0.646 1.874 1.00 0.00 O ATOM 889 OE2 GLU A 56 9.330 -2.338 2.660 1.00 0.00 O ATOM 0 H GLU A 56 4.615 -1.256 1.902 1.00 0.00 H new ATOM 0 HA GLU A 56 4.834 -4.154 2.406 1.00 0.00 H new ATOM 0 HB2 GLU A 56 6.213 -1.716 3.551 1.00 0.00 H new ATOM 0 HB3 GLU A 56 6.641 -3.390 3.844 1.00 0.00 H new ATOM 0 HG2 GLU A 56 7.448 -3.704 1.652 1.00 0.00 H new ATOM 0 HG3 GLU A 56 6.591 -2.307 1.031 1.00 0.00 H new ATOM 896 N MET A 57 3.434 -4.109 4.432 1.00 0.00 N ATOM 897 CA MET A 57 2.531 -4.118 5.549 1.00 0.00 C ATOM 898 C MET A 57 2.948 -5.185 6.513 1.00 0.00 C ATOM 899 O MET A 57 3.587 -6.171 6.128 1.00 0.00 O ATOM 900 CB MET A 57 1.089 -4.405 5.108 1.00 0.00 C ATOM 901 CG MET A 57 0.830 -4.231 3.611 1.00 0.00 C ATOM 902 SD MET A 57 -0.907 -4.353 3.166 1.00 0.00 S ATOM 903 CE MET A 57 -1.553 -2.919 4.016 1.00 0.00 C ATOM 0 H MET A 57 3.622 -5.030 4.036 1.00 0.00 H new ATOM 0 HA MET A 57 2.567 -3.133 6.013 1.00 0.00 H new ATOM 0 HB2 MET A 57 0.834 -5.426 5.390 1.00 0.00 H new ATOM 0 HB3 MET A 57 0.418 -3.745 5.658 1.00 0.00 H new ATOM 0 HG2 MET A 57 1.211 -3.260 3.295 1.00 0.00 H new ATOM 0 HG3 MET A 57 1.392 -4.987 3.063 1.00 0.00 H new ATOM 0 HE1 MET A 57 -2.563 -2.712 3.664 1.00 0.00 H new ATOM 0 HE2 MET A 57 -1.575 -3.111 5.089 1.00 0.00 H new ATOM 0 HE3 MET A 57 -0.915 -2.059 3.815 1.00 0.00 H new ATOM 913 N SER A 58 2.601 -5.001 7.744 1.00 0.00 N ATOM 914 CA SER A 58 2.904 -5.962 8.761 1.00 0.00 C ATOM 915 C SER A 58 2.017 -7.193 8.537 1.00 0.00 C ATOM 916 O SER A 58 0.844 -7.036 8.204 1.00 0.00 O ATOM 917 CB SER A 58 2.636 -5.336 10.128 1.00 0.00 C ATOM 918 OG SER A 58 3.354 -4.122 10.259 1.00 0.00 O ATOM 0 H SER A 58 2.098 -4.179 8.077 1.00 0.00 H new ATOM 0 HA SER A 58 3.951 -6.264 8.719 1.00 0.00 H new ATOM 0 HB2 SER A 58 1.569 -5.151 10.248 1.00 0.00 H new ATOM 0 HB3 SER A 58 2.930 -6.028 10.917 1.00 0.00 H new ATOM 0 HG SER A 58 3.174 -3.728 11.138 1.00 0.00 H new ATOM 924 N PRO A 59 2.552 -8.429 8.709 1.00 0.00 N ATOM 925 CA PRO A 59 1.789 -9.682 8.464 1.00 0.00 C ATOM 926 C PRO A 59 0.552 -9.829 9.355 1.00 0.00 C ATOM 927 O PRO A 59 -0.315 -10.641 9.097 1.00 0.00 O ATOM 928 CB PRO A 59 2.804 -10.792 8.785 1.00 0.00 C ATOM 929 CG PRO A 59 4.138 -10.139 8.676 1.00 0.00 C ATOM 930 CD PRO A 59 3.942 -8.721 9.124 1.00 0.00 C ATOM 0 HA PRO A 59 1.400 -9.708 7.446 1.00 0.00 H new ATOM 0 HB2 PRO A 59 2.643 -11.197 9.784 1.00 0.00 H new ATOM 0 HB3 PRO A 59 2.713 -11.624 8.086 1.00 0.00 H new ATOM 0 HG2 PRO A 59 4.873 -10.647 9.300 1.00 0.00 H new ATOM 0 HG3 PRO A 59 4.508 -10.177 7.652 1.00 0.00 H new ATOM 0 HD2 PRO A 59 4.072 -8.617 10.201 1.00 0.00 H new ATOM 0 HD3 PRO A 59 4.655 -8.046 8.650 1.00 0.00 H new ATOM 938 N TYR A 60 0.487 -9.027 10.386 1.00 0.00 N ATOM 939 CA TYR A 60 -0.615 -9.071 11.321 1.00 0.00 C ATOM 940 C TYR A 60 -1.483 -7.806 11.157 1.00 0.00 C ATOM 941 O TYR A 60 -2.364 -7.535 11.954 1.00 0.00 O ATOM 942 CB TYR A 60 -0.031 -9.177 12.747 1.00 0.00 C ATOM 943 CG TYR A 60 -1.028 -9.464 13.861 1.00 0.00 C ATOM 944 CD1 TYR A 60 -1.609 -10.720 13.991 1.00 0.00 C ATOM 945 CD2 TYR A 60 -1.379 -8.481 14.783 1.00 0.00 C ATOM 946 CE1 TYR A 60 -2.510 -10.989 15.005 1.00 0.00 C ATOM 947 CE2 TYR A 60 -2.277 -8.744 15.801 1.00 0.00 C ATOM 948 CZ TYR A 60 -2.840 -9.999 15.906 1.00 0.00 C ATOM 949 OH TYR A 60 -3.733 -10.267 16.922 1.00 0.00 O ATOM 0 H TYR A 60 1.194 -8.325 10.604 1.00 0.00 H new ATOM 0 HA TYR A 60 -1.253 -9.934 11.133 1.00 0.00 H new ATOM 0 HB2 TYR A 60 0.723 -9.964 12.751 1.00 0.00 H new ATOM 0 HB3 TYR A 60 0.481 -8.243 12.978 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -1.352 -11.499 13.288 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -0.942 -7.497 14.701 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -2.953 -11.970 15.091 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -2.536 -7.971 16.510 1.00 0.00 H new ATOM 0 HH TYR A 60 -3.856 -9.464 17.470 1.00 0.00 H new ATOM 959 N ASP A 61 -1.229 -7.047 10.102 1.00 0.00 N ATOM 960 CA ASP A 61 -1.964 -5.803 9.898 1.00 0.00 C ATOM 961 C ASP A 61 -2.803 -5.854 8.615 1.00 0.00 C ATOM 962 O ASP A 61 -4.001 -6.092 8.664 1.00 0.00 O ATOM 963 CB ASP A 61 -1.010 -4.588 9.875 1.00 0.00 C ATOM 964 CG ASP A 61 -1.743 -3.288 9.915 1.00 0.00 C ATOM 965 OD1 ASP A 61 -2.258 -2.878 8.894 1.00 0.00 O ATOM 966 OD2 ASP A 61 -1.810 -2.659 10.982 1.00 0.00 O ATOM 0 H ASP A 61 -0.535 -7.262 9.386 1.00 0.00 H new ATOM 0 HA ASP A 61 -2.644 -5.685 10.741 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -0.332 -4.646 10.726 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -0.396 -4.628 8.975 1.00 0.00 H new ATOM 971 N LEU A 62 -2.140 -5.648 7.469 1.00 0.00 N ATOM 972 CA LEU A 62 -2.775 -5.637 6.127 1.00 0.00 C ATOM 973 C LEU A 62 -3.870 -4.575 5.937 1.00 0.00 C ATOM 974 O LEU A 62 -4.683 -4.671 5.015 1.00 0.00 O ATOM 975 CB LEU A 62 -3.247 -7.030 5.652 1.00 0.00 C ATOM 976 CG LEU A 62 -2.172 -7.955 5.044 1.00 0.00 C ATOM 977 CD1 LEU A 62 -1.149 -8.394 6.073 1.00 0.00 C ATOM 978 CD2 LEU A 62 -2.818 -9.161 4.382 1.00 0.00 C ATOM 0 H LEU A 62 -1.134 -5.481 7.438 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.958 -5.335 5.472 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.698 -7.544 6.501 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.033 -6.888 4.910 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.640 -7.380 4.286 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.412 -9.043 5.600 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.649 -7.518 6.485 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.649 -8.937 6.875 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.044 -9.802 3.959 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.388 -9.721 5.123 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.486 -8.826 3.588 1.00 0.00 H new ATOM 990 N THR A 63 -3.856 -3.553 6.752 1.00 0.00 N ATOM 991 CA THR A 63 -4.760 -2.446 6.573 1.00 0.00 C ATOM 992 C THR A 63 -3.983 -1.104 6.538 1.00 0.00 C ATOM 993 O THR A 63 -4.435 -0.110 5.964 1.00 0.00 O ATOM 994 CB THR A 63 -5.955 -2.474 7.594 1.00 0.00 C ATOM 995 OG1 THR A 63 -6.757 -1.286 7.519 1.00 0.00 O ATOM 996 CG2 THR A 63 -5.498 -2.712 9.019 1.00 0.00 C ATOM 0 H THR A 63 -3.226 -3.464 7.549 1.00 0.00 H new ATOM 0 HA THR A 63 -5.238 -2.548 5.599 1.00 0.00 H new ATOM 0 HB THR A 63 -6.574 -3.322 7.300 1.00 0.00 H new ATOM 0 HG1 THR A 63 -7.489 -1.344 8.168 1.00 0.00 H new ATOM 0 HG21 THR A 63 -6.363 -2.722 9.682 1.00 0.00 H new ATOM 0 HG22 THR A 63 -4.983 -3.671 9.081 1.00 0.00 H new ATOM 0 HG23 THR A 63 -4.819 -1.915 9.321 1.00 0.00 H new ATOM 1004 N ARG A 64 -2.808 -1.106 7.133 1.00 0.00 N ATOM 1005 CA ARG A 64 -1.868 -0.007 7.108 1.00 0.00 C ATOM 1006 C ARG A 64 -0.598 -0.467 6.421 1.00 0.00 C ATOM 1007 O ARG A 64 -0.139 -1.589 6.650 1.00 0.00 O ATOM 1008 CB ARG A 64 -1.510 0.481 8.524 1.00 0.00 C ATOM 1009 CG ARG A 64 -2.534 1.389 9.211 1.00 0.00 C ATOM 1010 CD ARG A 64 -3.812 0.663 9.598 1.00 0.00 C ATOM 1011 NE ARG A 64 -3.550 -0.447 10.522 1.00 0.00 N ATOM 1012 CZ ARG A 64 -4.268 -0.765 11.598 1.00 0.00 C ATOM 1013 NH1 ARG A 64 -5.360 -0.057 11.928 1.00 0.00 N ATOM 1014 NH2 ARG A 64 -3.900 -1.808 12.322 1.00 0.00 N ATOM 0 H ARG A 64 -2.469 -1.906 7.668 1.00 0.00 H new ATOM 0 HA ARG A 64 -2.334 0.820 6.572 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -1.350 -0.393 9.156 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -0.561 1.015 8.472 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -2.085 1.822 10.105 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -2.781 2.216 8.546 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -4.503 1.366 10.062 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -4.299 0.282 8.701 1.00 0.00 H new ATOM 0 HE ARG A 64 -2.739 -1.032 10.321 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -5.648 0.734 11.352 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -5.902 -0.310 12.754 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -3.080 -2.352 12.053 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -4.436 -2.069 13.150 1.00 0.00 H new ATOM 1028 N GLY A 65 -0.039 0.366 5.578 1.00 0.00 N ATOM 1029 CA GLY A 65 1.160 -0.018 4.886 1.00 0.00 C ATOM 1030 C GLY A 65 2.106 1.135 4.635 1.00 0.00 C ATOM 1031 O GLY A 65 1.766 2.300 4.864 1.00 0.00 O ATOM 0 H GLY A 65 -0.390 1.298 5.359 1.00 0.00 H new ATOM 0 HA2 GLY A 65 1.677 -0.782 5.467 1.00 0.00 H new ATOM 0 HA3 GLY A 65 0.890 -0.471 3.932 1.00 0.00 H new ATOM 1035 N ARG A 66 3.282 0.813 4.161 1.00 0.00 N ATOM 1036 CA ARG A 66 4.310 1.784 3.871 1.00 0.00 C ATOM 1037 C ARG A 66 4.751 1.614 2.409 1.00 0.00 C ATOM 1038 O ARG A 66 5.001 0.504 1.965 1.00 0.00 O ATOM 1039 CB ARG A 66 5.478 1.579 4.877 1.00 0.00 C ATOM 1040 CG ARG A 66 6.581 2.648 4.888 1.00 0.00 C ATOM 1041 CD ARG A 66 7.551 2.542 3.719 1.00 0.00 C ATOM 1042 NE ARG A 66 8.298 1.259 3.700 1.00 0.00 N ATOM 1043 CZ ARG A 66 9.374 0.930 4.449 1.00 0.00 C ATOM 1044 NH1 ARG A 66 9.822 1.760 5.406 1.00 0.00 N ATOM 1045 NH2 ARG A 66 9.993 -0.237 4.238 1.00 0.00 N ATOM 0 H ARG A 66 3.559 -0.148 3.962 1.00 0.00 H new ATOM 0 HA ARG A 66 3.946 2.805 3.987 1.00 0.00 H new ATOM 0 HB2 ARG A 66 5.055 1.517 5.880 1.00 0.00 H new ATOM 0 HB3 ARG A 66 5.942 0.615 4.667 1.00 0.00 H new ATOM 0 HG2 ARG A 66 6.118 3.635 4.875 1.00 0.00 H new ATOM 0 HG3 ARG A 66 7.140 2.570 5.820 1.00 0.00 H new ATOM 0 HD2 ARG A 66 6.999 2.649 2.785 1.00 0.00 H new ATOM 0 HD3 ARG A 66 8.260 3.368 3.766 1.00 0.00 H new ATOM 0 HE ARG A 66 7.962 0.548 3.050 1.00 0.00 H new ATOM 0 HH11 ARG A 66 9.349 2.648 5.573 1.00 0.00 H new ATOM 0 HH12 ARG A 66 10.635 1.502 5.965 1.00 0.00 H new ATOM 0 HH21 ARG A 66 9.652 -0.872 3.516 1.00 0.00 H new ATOM 0 HH22 ARG A 66 10.806 -0.492 4.799 1.00 0.00 H new ATOM 1059 N ILE A 67 4.787 2.713 1.674 1.00 0.00 N ATOM 1060 CA ILE A 67 5.174 2.715 0.263 1.00 0.00 C ATOM 1061 C ILE A 67 6.604 3.097 0.038 1.00 0.00 C ATOM 1062 O ILE A 67 7.101 4.138 0.544 1.00 0.00 O ATOM 1063 CB ILE A 67 4.231 3.595 -0.582 1.00 0.00 C ATOM 1064 CG1 ILE A 67 2.938 2.873 -0.694 1.00 0.00 C ATOM 1065 CG2 ILE A 67 4.793 3.895 -1.984 1.00 0.00 C ATOM 1066 CD1 ILE A 67 1.754 3.771 -0.905 1.00 0.00 C ATOM 0 H ILE A 67 4.548 3.636 2.036 1.00 0.00 H new ATOM 0 HA ILE A 67 5.075 1.682 -0.070 1.00 0.00 H new ATOM 0 HB ILE A 67 4.112 4.561 -0.091 1.00 0.00 H new ATOM 0 HG12 ILE A 67 2.998 2.167 -1.523 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.781 2.288 0.212 1.00 0.00 H new ATOM 0 HG21 ILE A 67 4.087 4.518 -2.533 1.00 0.00 H new ATOM 0 HG22 ILE A 67 5.744 4.420 -1.890 1.00 0.00 H new ATOM 0 HG23 ILE A 67 4.947 2.960 -2.522 1.00 0.00 H new ATOM 0 HD11 ILE A 67 0.849 3.168 -0.977 1.00 0.00 H new ATOM 0 HD12 ILE A 67 1.666 4.460 -0.065 1.00 0.00 H new ATOM 0 HD13 ILE A 67 1.887 4.338 -1.827 1.00 0.00 H new ATOM 1078 N THR A 68 7.252 2.246 -0.675 1.00 0.00 N ATOM 1079 CA THR A 68 8.622 2.464 -1.109 1.00 0.00 C ATOM 1080 C THR A 68 8.780 2.536 -2.631 1.00 0.00 C ATOM 1081 O THR A 68 9.724 3.168 -3.134 1.00 0.00 O ATOM 1082 CB THR A 68 9.524 1.375 -0.562 1.00 0.00 C ATOM 1083 OG1 THR A 68 8.823 0.117 -0.618 1.00 0.00 O ATOM 1084 CG2 THR A 68 9.906 1.698 0.850 1.00 0.00 C ATOM 0 H THR A 68 6.856 1.360 -0.988 1.00 0.00 H new ATOM 0 HA THR A 68 8.912 3.437 -0.713 1.00 0.00 H new ATOM 0 HB THR A 68 10.433 1.308 -1.159 1.00 0.00 H new ATOM 0 HG1 THR A 68 8.564 -0.154 0.288 1.00 0.00 H new ATOM 0 HG21 THR A 68 10.554 0.913 1.240 1.00 0.00 H new ATOM 0 HG22 THR A 68 10.434 2.651 0.875 1.00 0.00 H new ATOM 0 HG23 THR A 68 9.008 1.765 1.464 1.00 0.00 H new ATOM 1092 N TYR A 69 7.857 1.945 -3.363 1.00 0.00 N ATOM 1093 CA TYR A 69 7.982 1.883 -4.801 1.00 0.00 C ATOM 1094 C TYR A 69 6.643 2.115 -5.460 1.00 0.00 C ATOM 1095 O TYR A 69 5.602 1.757 -4.905 1.00 0.00 O ATOM 1096 CB TYR A 69 8.539 0.508 -5.211 1.00 0.00 C ATOM 1097 CG TYR A 69 8.781 0.334 -6.705 1.00 0.00 C ATOM 1098 CD1 TYR A 69 9.835 0.980 -7.339 1.00 0.00 C ATOM 1099 CD2 TYR A 69 7.944 -0.467 -7.478 1.00 0.00 C ATOM 1100 CE1 TYR A 69 10.049 0.832 -8.697 1.00 0.00 C ATOM 1101 CE2 TYR A 69 8.152 -0.617 -8.834 1.00 0.00 C ATOM 1102 CZ TYR A 69 9.204 0.033 -9.439 1.00 0.00 C ATOM 1103 OH TYR A 69 9.409 -0.113 -10.793 1.00 0.00 O ATOM 0 H TYR A 69 7.018 1.504 -2.987 1.00 0.00 H new ATOM 0 HA TYR A 69 8.667 2.664 -5.129 1.00 0.00 H new ATOM 0 HB2 TYR A 69 9.478 0.341 -4.684 1.00 0.00 H new ATOM 0 HB3 TYR A 69 7.845 -0.263 -4.878 1.00 0.00 H new ATOM 0 HD1 TYR A 69 10.498 1.608 -6.762 1.00 0.00 H new ATOM 0 HD2 TYR A 69 7.118 -0.980 -7.008 1.00 0.00 H new ATOM 0 HE1 TYR A 69 10.874 1.340 -9.175 1.00 0.00 H new ATOM 0 HE2 TYR A 69 7.492 -1.242 -9.418 1.00 0.00 H new ATOM 0 HH TYR A 69 8.726 -0.710 -11.165 1.00 0.00 H new ATOM 1113 N ARG A 70 6.669 2.721 -6.626 1.00 0.00 N ATOM 1114 CA ARG A 70 5.482 2.935 -7.391 1.00 0.00 C ATOM 1115 C ARG A 70 5.711 2.469 -8.805 1.00 0.00 C ATOM 1116 O ARG A 70 6.633 2.926 -9.494 1.00 0.00 O ATOM 1117 CB ARG A 70 5.042 4.399 -7.348 1.00 0.00 C ATOM 1118 CG ARG A 70 3.679 4.687 -8.000 1.00 0.00 C ATOM 1119 CD ARG A 70 3.758 4.816 -9.516 1.00 0.00 C ATOM 1120 NE ARG A 70 4.107 6.165 -9.932 1.00 0.00 N ATOM 1121 CZ ARG A 70 5.211 6.529 -10.566 1.00 0.00 C ATOM 1122 NH1 ARG A 70 6.208 5.642 -10.775 1.00 0.00 N ATOM 1123 NH2 ARG A 70 5.335 7.791 -10.979 1.00 0.00 N ATOM 0 H ARG A 70 7.520 3.076 -7.063 1.00 0.00 H new ATOM 0 HA ARG A 70 4.670 2.354 -6.953 1.00 0.00 H new ATOM 0 HB2 ARG A 70 5.006 4.721 -6.307 1.00 0.00 H new ATOM 0 HB3 ARG A 70 5.800 5.005 -7.843 1.00 0.00 H new ATOM 0 HG2 ARG A 70 2.984 3.887 -7.745 1.00 0.00 H new ATOM 0 HG3 ARG A 70 3.271 5.608 -7.584 1.00 0.00 H new ATOM 0 HD2 ARG A 70 4.499 4.115 -9.901 1.00 0.00 H new ATOM 0 HD3 ARG A 70 2.799 4.539 -9.954 1.00 0.00 H new ATOM 0 HE ARG A 70 3.436 6.902 -9.714 1.00 0.00 H new ATOM 0 HH11 ARG A 70 6.114 4.682 -10.443 1.00 0.00 H new ATOM 0 HH12 ARG A 70 7.055 5.932 -11.264 1.00 0.00 H new ATOM 0 HH21 ARG A 70 4.585 8.461 -10.805 1.00 0.00 H new ATOM 0 HH22 ARG A 70 6.179 8.087 -11.469 1.00 0.00 H new