USER MOD reduce.3.24.130724 H: found=0, std=0, add=825, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 828 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 13 GLN : amide:sc= -1.91 K(o=-2.3,f=-2.8!) USER MOD Set 1.2: A 115 THR OG1 : rot 180:sc= -0.341 USER MOD Set 2.1: A 42 MET CE :methyl -138:sc= 0 (180deg=0) USER MOD Set 2.2: A 56 ASN : amide:sc= -2.37 K(o=-2.4,f=-3.3!) USER MOD Single : A 10 GLN : amide:sc= -6.07! C(o=-6.1!,f=-4.8!) USER MOD Single : A 16 LYS NZ :NH3+ -161:sc= -0.0156 (180deg=-0.199) USER MOD Single : A 17 SER OG : rot 28:sc= 0.0583 USER MOD Single : A 19 SER OG : rot 5:sc= 0.745 USER MOD Single : A 25 SER OG : rot 29:sc= 0.366 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl -170:sc= -2.48 (180deg=-2.94) USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.74 USER MOD Single : A 34 SER OG : rot 180:sc= 0.00412 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -0.396 K(o=-0.4,f=-3.9) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HD1:sc= 0 X(o=0,f=-0.034) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 41:sc= 0.329 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= -0.233 K(o=-0.23,f=-2.7!) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot -63:sc= 0.766 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= -0.0463 X(o=-0.046,f=-0.093) USER MOD Single : A 87 THR OG1 : rot -103:sc= -0.0243 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot -45:sc= 1.21 USER MOD Single : A 95 TYR OH : rot 180:sc= -0.703 USER MOD Single : A 98 LYS NZ :NH3+ -114:sc= 0.708 (180deg=-1.8!) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N GLU A 8 -7.334 26.519 -5.042 1.00 0.00 N ATOM 67 CA GLU A 8 -7.736 25.833 -3.820 1.00 0.00 C ATOM 68 C GLU A 8 -7.049 24.475 -3.708 1.00 0.00 C ATOM 69 O GLU A 8 -7.177 23.626 -4.593 1.00 0.00 O ATOM 70 CB GLU A 8 -9.255 25.653 -3.786 1.00 0.00 C ATOM 71 CG GLU A 8 -9.739 24.782 -2.639 1.00 0.00 C ATOM 72 CD GLU A 8 -11.207 24.996 -2.323 1.00 0.00 C ATOM 73 OE1 GLU A 8 -11.638 26.167 -2.277 1.00 0.00 O ATOM 74 OE2 GLU A 8 -11.923 23.993 -2.122 1.00 0.00 O ATOM 0 HA GLU A 8 -7.431 26.446 -2.972 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -9.727 26.633 -3.711 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -9.581 25.213 -4.728 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -9.574 23.734 -2.889 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -9.145 24.995 -1.750 1.00 0.00 H new ATOM 81 N LEU A 9 -6.320 24.275 -2.616 1.00 0.00 N ATOM 82 CA LEU A 9 -5.612 23.021 -2.387 1.00 0.00 C ATOM 83 C LEU A 9 -6.403 21.840 -2.940 1.00 0.00 C ATOM 84 O LEU A 9 -7.633 21.858 -2.955 1.00 0.00 O ATOM 85 CB LEU A 9 -5.355 22.822 -0.893 1.00 0.00 C ATOM 86 CG LEU A 9 -4.881 21.431 -0.472 1.00 0.00 C ATOM 87 CD1 LEU A 9 -4.010 21.517 0.772 1.00 0.00 C ATOM 88 CD2 LEU A 9 -6.071 20.513 -0.230 1.00 0.00 C ATOM 0 H LEU A 9 -6.204 24.966 -1.875 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.657 23.072 -2.910 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -4.609 23.550 -0.573 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.274 23.049 -0.353 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.282 21.012 -1.281 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -3.682 20.517 1.056 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -3.139 22.139 0.564 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.584 21.957 1.588 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -5.715 19.527 0.069 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.696 20.928 0.561 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -6.655 20.426 -1.146 1.00 0.00 H new ATOM 100 N GLN A 10 -5.688 20.815 -3.393 1.00 0.00 N ATOM 101 CA GLN A 10 -6.325 19.625 -3.945 1.00 0.00 C ATOM 102 C GLN A 10 -5.431 18.400 -3.774 1.00 0.00 C ATOM 103 O GLN A 10 -4.224 18.462 -4.006 1.00 0.00 O ATOM 104 CB GLN A 10 -6.645 19.833 -5.426 1.00 0.00 C ATOM 105 CG GLN A 10 -6.770 18.537 -6.210 1.00 0.00 C ATOM 106 CD GLN A 10 -7.745 17.564 -5.577 1.00 0.00 C ATOM 107 OE1 GLN A 10 -7.674 16.356 -5.809 1.00 0.00 O ATOM 108 NE2 GLN A 10 -8.662 18.084 -4.770 1.00 0.00 N ATOM 0 H GLN A 10 -4.668 20.785 -3.389 1.00 0.00 H new ATOM 0 HA GLN A 10 -7.253 19.455 -3.400 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -7.577 20.391 -5.513 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -5.863 20.446 -5.875 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -7.095 18.761 -7.226 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -5.790 18.066 -6.285 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -8.685 19.090 -4.606 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -9.344 17.477 -4.314 1.00 0.00 H new ATOM 117 N VAL A 11 -6.033 17.288 -3.365 1.00 0.00 N ATOM 118 CA VAL A 11 -5.292 16.048 -3.162 1.00 0.00 C ATOM 119 C VAL A 11 -4.929 15.402 -4.494 1.00 0.00 C ATOM 120 O VAL A 11 -5.802 14.945 -5.233 1.00 0.00 O ATOM 121 CB VAL A 11 -6.100 15.043 -2.320 1.00 0.00 C ATOM 122 CG1 VAL A 11 -5.443 13.671 -2.351 1.00 0.00 C ATOM 123 CG2 VAL A 11 -6.245 15.542 -0.890 1.00 0.00 C ATOM 0 H VAL A 11 -7.031 17.220 -3.168 1.00 0.00 H new ATOM 0 HA VAL A 11 -4.379 16.308 -2.626 1.00 0.00 H new ATOM 0 HB VAL A 11 -7.097 14.952 -2.751 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -6.028 12.974 -1.751 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -5.396 13.313 -3.380 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -4.434 13.742 -1.945 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -6.819 14.820 -0.309 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -5.257 15.663 -0.445 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -6.763 16.501 -0.890 1.00 0.00 H new ATOM 133 N ILE A 12 -3.635 15.367 -4.795 1.00 0.00 N ATOM 134 CA ILE A 12 -3.156 14.775 -6.038 1.00 0.00 C ATOM 135 C ILE A 12 -2.873 13.287 -5.865 1.00 0.00 C ATOM 136 O ILE A 12 -1.960 12.900 -5.135 1.00 0.00 O ATOM 137 CB ILE A 12 -1.878 15.474 -6.538 1.00 0.00 C ATOM 138 CG1 ILE A 12 -2.091 16.988 -6.607 1.00 0.00 C ATOM 139 CG2 ILE A 12 -1.474 14.928 -7.900 1.00 0.00 C ATOM 140 CD1 ILE A 12 -3.152 17.403 -7.602 1.00 0.00 C ATOM 0 H ILE A 12 -2.900 15.742 -4.195 1.00 0.00 H new ATOM 0 HA ILE A 12 -3.947 14.909 -6.776 1.00 0.00 H new ATOM 0 HB ILE A 12 -1.072 15.272 -5.833 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -2.369 17.353 -5.618 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -1.149 17.468 -6.871 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.569 15.432 -8.240 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.286 13.857 -7.821 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -2.278 15.103 -8.615 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -3.250 18.489 -7.598 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -2.867 17.068 -8.599 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -4.105 16.952 -7.327 1.00 0.00 H new ATOM 152 N GLN A 13 -3.661 12.458 -6.541 1.00 0.00 N ATOM 153 CA GLN A 13 -3.495 11.011 -6.462 1.00 0.00 C ATOM 154 C GLN A 13 -3.270 10.413 -7.847 1.00 0.00 C ATOM 155 O GLN A 13 -4.208 10.023 -8.542 1.00 0.00 O ATOM 156 CB GLN A 13 -4.721 10.370 -5.810 1.00 0.00 C ATOM 157 CG GLN A 13 -4.614 10.251 -4.298 1.00 0.00 C ATOM 158 CD GLN A 13 -3.992 8.941 -3.859 1.00 0.00 C ATOM 159 OE1 GLN A 13 -3.088 8.419 -4.512 1.00 0.00 O ATOM 160 NE2 GLN A 13 -4.474 8.400 -2.746 1.00 0.00 N ATOM 0 H GLN A 13 -4.421 12.763 -7.150 1.00 0.00 H new ATOM 0 HA GLN A 13 -2.617 10.804 -5.850 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -5.604 10.959 -6.058 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -4.871 9.377 -6.235 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -4.018 11.079 -3.913 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -5.607 10.342 -3.859 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -5.224 8.866 -2.235 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -4.094 7.518 -2.402 1.00 0.00 H new ATOM 169 N PRO A 14 -1.996 10.339 -8.260 1.00 0.00 N ATOM 170 CA PRO A 14 -1.617 9.789 -9.565 1.00 0.00 C ATOM 171 C PRO A 14 -1.834 8.282 -9.644 1.00 0.00 C ATOM 172 O PRO A 14 -2.206 7.754 -10.691 1.00 0.00 O ATOM 173 CB PRO A 14 -0.127 10.121 -9.671 1.00 0.00 C ATOM 174 CG PRO A 14 0.338 10.234 -8.260 1.00 0.00 C ATOM 175 CD PRO A 14 -0.826 10.784 -7.484 1.00 0.00 C ATOM 0 HA PRO A 14 -2.219 10.205 -10.373 1.00 0.00 H new ATOM 0 HB2 PRO A 14 0.415 9.341 -10.205 1.00 0.00 H new ATOM 0 HB3 PRO A 14 0.033 11.051 -10.216 1.00 0.00 H new ATOM 0 HG2 PRO A 14 0.643 9.263 -7.870 1.00 0.00 H new ATOM 0 HG3 PRO A 14 1.203 10.893 -8.186 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -0.849 10.397 -6.465 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -0.782 11.871 -7.411 1.00 0.00 H new ATOM 183 N GLU A 15 -1.599 7.595 -8.530 1.00 0.00 N ATOM 184 CA GLU A 15 -1.769 6.148 -8.475 1.00 0.00 C ATOM 185 C GLU A 15 -3.244 5.778 -8.344 1.00 0.00 C ATOM 186 O GLU A 15 -3.899 6.129 -7.363 1.00 0.00 O ATOM 187 CB GLU A 15 -0.979 5.564 -7.302 1.00 0.00 C ATOM 188 CG GLU A 15 0.526 5.583 -7.512 1.00 0.00 C ATOM 189 CD GLU A 15 0.940 4.946 -8.824 1.00 0.00 C ATOM 190 OE1 GLU A 15 0.446 3.841 -9.130 1.00 0.00 O ATOM 191 OE2 GLU A 15 1.760 5.554 -9.545 1.00 0.00 O ATOM 0 H GLU A 15 -1.291 8.017 -7.654 1.00 0.00 H new ATOM 0 HA GLU A 15 -1.388 5.727 -9.406 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.218 6.125 -6.399 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.301 4.536 -7.134 1.00 0.00 H new ATOM 0 HG2 GLU A 15 0.880 6.614 -7.485 1.00 0.00 H new ATOM 0 HG3 GLU A 15 1.011 5.058 -6.689 1.00 0.00 H new ATOM 198 N LYS A 16 -3.760 5.067 -9.341 1.00 0.00 N ATOM 199 CA LYS A 16 -5.156 4.647 -9.339 1.00 0.00 C ATOM 200 C LYS A 16 -5.369 3.467 -8.396 1.00 0.00 C ATOM 201 O LYS A 16 -6.325 3.444 -7.621 1.00 0.00 O ATOM 202 CB LYS A 16 -5.598 4.268 -10.754 1.00 0.00 C ATOM 203 CG LYS A 16 -7.106 4.241 -10.934 1.00 0.00 C ATOM 204 CD LYS A 16 -7.497 3.652 -12.278 1.00 0.00 C ATOM 205 CE LYS A 16 -8.865 2.988 -12.220 1.00 0.00 C ATOM 206 NZ LYS A 16 -8.834 1.725 -11.431 1.00 0.00 N ATOM 0 H LYS A 16 -3.232 4.769 -10.161 1.00 0.00 H new ATOM 0 HA LYS A 16 -5.760 5.484 -8.988 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.169 4.977 -11.462 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -5.193 3.287 -11.001 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -7.558 3.655 -10.134 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -7.501 5.253 -10.851 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -7.505 4.439 -13.032 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -6.750 2.921 -12.587 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -9.584 3.676 -11.776 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -9.209 2.776 -13.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -9.664 1.145 -11.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -7.966 1.197 -11.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -8.850 1.949 -10.416 1.00 0.00 H new ATOM 220 N SER A 17 -4.470 2.490 -8.466 1.00 0.00 N ATOM 221 CA SER A 17 -4.561 1.306 -7.619 1.00 0.00 C ATOM 222 C SER A 17 -3.186 0.676 -7.418 1.00 0.00 C ATOM 223 O SER A 17 -2.449 0.446 -8.377 1.00 0.00 O ATOM 224 CB SER A 17 -5.518 0.284 -8.236 1.00 0.00 C ATOM 225 OG SER A 17 -5.044 -0.164 -9.494 1.00 0.00 O ATOM 0 H SER A 17 -3.671 2.495 -9.100 1.00 0.00 H new ATOM 0 HA SER A 17 -4.947 1.613 -6.647 1.00 0.00 H new ATOM 0 HB2 SER A 17 -5.631 -0.566 -7.563 1.00 0.00 H new ATOM 0 HB3 SER A 17 -6.505 0.731 -8.354 1.00 0.00 H new ATOM 0 HG SER A 17 -4.066 -0.102 -9.516 1.00 0.00 H new ATOM 231 N VAL A 18 -2.848 0.397 -6.163 1.00 0.00 N ATOM 232 CA VAL A 18 -1.563 -0.208 -5.834 1.00 0.00 C ATOM 233 C VAL A 18 -1.604 -1.720 -6.020 1.00 0.00 C ATOM 234 O VAL A 18 -2.631 -2.357 -5.787 1.00 0.00 O ATOM 235 CB VAL A 18 -1.148 0.109 -4.385 1.00 0.00 C ATOM 236 CG1 VAL A 18 0.166 -0.577 -4.044 1.00 0.00 C ATOM 237 CG2 VAL A 18 -1.042 1.613 -4.179 1.00 0.00 C ATOM 0 H VAL A 18 -3.446 0.580 -5.358 1.00 0.00 H new ATOM 0 HA VAL A 18 -0.828 0.219 -6.516 1.00 0.00 H new ATOM 0 HB VAL A 18 -1.916 -0.274 -3.713 1.00 0.00 H new ATOM 0 HG11 VAL A 18 0.443 -0.342 -3.017 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.052 -1.656 -4.151 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.946 -0.226 -4.720 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.748 1.819 -3.150 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -0.294 2.022 -4.859 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.008 2.077 -4.380 1.00 0.00 H new ATOM 247 N SER A 19 -0.479 -2.290 -6.441 1.00 0.00 N ATOM 248 CA SER A 19 -0.387 -3.729 -6.661 1.00 0.00 C ATOM 249 C SER A 19 0.737 -4.335 -5.827 1.00 0.00 C ATOM 250 O SER A 19 1.905 -3.979 -5.986 1.00 0.00 O ATOM 251 CB SER A 19 -0.155 -4.025 -8.144 1.00 0.00 C ATOM 252 OG SER A 19 1.187 -3.756 -8.513 1.00 0.00 O ATOM 0 H SER A 19 0.381 -1.778 -6.636 1.00 0.00 H new ATOM 0 HA SER A 19 -1.329 -4.181 -6.351 1.00 0.00 H new ATOM 0 HB2 SER A 19 -0.390 -5.069 -8.351 1.00 0.00 H new ATOM 0 HB3 SER A 19 -0.830 -3.420 -8.749 1.00 0.00 H new ATOM 0 HG SER A 19 1.704 -3.517 -7.715 1.00 0.00 H new ATOM 258 N VAL A 20 0.376 -5.254 -4.937 1.00 0.00 N ATOM 259 CA VAL A 20 1.353 -5.912 -4.078 1.00 0.00 C ATOM 260 C VAL A 20 0.943 -7.350 -3.780 1.00 0.00 C ATOM 261 O VAL A 20 -0.055 -7.843 -4.304 1.00 0.00 O ATOM 262 CB VAL A 20 1.532 -5.155 -2.749 1.00 0.00 C ATOM 263 CG1 VAL A 20 2.556 -4.041 -2.902 1.00 0.00 C ATOM 264 CG2 VAL A 20 0.199 -4.602 -2.268 1.00 0.00 C ATOM 0 H VAL A 20 -0.586 -5.560 -4.792 1.00 0.00 H new ATOM 0 HA VAL A 20 2.300 -5.912 -4.618 1.00 0.00 H new ATOM 0 HB VAL A 20 1.902 -5.855 -1.999 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.669 -3.518 -1.953 1.00 0.00 H new ATOM 0 HG12 VAL A 20 3.515 -4.466 -3.198 1.00 0.00 H new ATOM 0 HG13 VAL A 20 2.219 -3.340 -3.665 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.344 -4.070 -1.328 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.201 -3.916 -3.015 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.502 -5.423 -2.116 1.00 0.00 H new ATOM 274 N ALA A 21 1.721 -8.018 -2.935 1.00 0.00 N ATOM 275 CA ALA A 21 1.437 -9.399 -2.565 1.00 0.00 C ATOM 276 C ALA A 21 1.480 -9.582 -1.051 1.00 0.00 C ATOM 277 O ALA A 21 2.302 -8.974 -0.366 1.00 0.00 O ATOM 278 CB ALA A 21 2.424 -10.340 -3.240 1.00 0.00 C ATOM 0 H ALA A 21 2.553 -7.625 -2.494 1.00 0.00 H new ATOM 0 HA ALA A 21 0.430 -9.640 -2.906 1.00 0.00 H new ATOM 0 HB1 ALA A 21 2.200 -11.368 -2.955 1.00 0.00 H new ATOM 0 HB2 ALA A 21 2.342 -10.238 -4.322 1.00 0.00 H new ATOM 0 HB3 ALA A 21 3.438 -10.089 -2.927 1.00 0.00 H new ATOM 284 N ALA A 22 0.589 -10.423 -0.536 1.00 0.00 N ATOM 285 CA ALA A 22 0.527 -10.686 0.896 1.00 0.00 C ATOM 286 C ALA A 22 1.925 -10.806 1.494 1.00 0.00 C ATOM 287 O ALA A 22 2.628 -11.788 1.261 1.00 0.00 O ATOM 288 CB ALA A 22 -0.275 -11.950 1.166 1.00 0.00 C ATOM 0 H ALA A 22 -0.099 -10.933 -1.089 1.00 0.00 H new ATOM 0 HA ALA A 22 0.028 -9.843 1.374 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -0.313 -12.134 2.240 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -1.288 -11.827 0.783 1.00 0.00 H new ATOM 0 HB3 ALA A 22 0.201 -12.796 0.669 1.00 0.00 H new ATOM 294 N GLY A 23 2.322 -9.799 2.266 1.00 0.00 N ATOM 295 CA GLY A 23 3.635 -9.812 2.884 1.00 0.00 C ATOM 296 C GLY A 23 4.592 -8.833 2.233 1.00 0.00 C ATOM 297 O GLY A 23 5.773 -8.790 2.575 1.00 0.00 O ATOM 0 H GLY A 23 1.758 -8.975 2.474 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.537 -9.571 3.942 1.00 0.00 H new ATOM 0 HA3 GLY A 23 4.052 -10.817 2.824 1.00 0.00 H new ATOM 301 N GLU A 24 4.082 -8.047 1.290 1.00 0.00 N ATOM 302 CA GLU A 24 4.901 -7.067 0.587 1.00 0.00 C ATOM 303 C GLU A 24 4.629 -5.658 1.107 1.00 0.00 C ATOM 304 O GLU A 24 3.770 -5.457 1.966 1.00 0.00 O ATOM 305 CB GLU A 24 4.632 -7.128 -0.918 1.00 0.00 C ATOM 306 CG GLU A 24 4.984 -8.466 -1.545 1.00 0.00 C ATOM 307 CD GLU A 24 6.474 -8.746 -1.525 1.00 0.00 C ATOM 308 OE1 GLU A 24 7.248 -7.877 -1.977 1.00 0.00 O ATOM 309 OE2 GLU A 24 6.866 -9.835 -1.056 1.00 0.00 O ATOM 0 H GLU A 24 3.106 -8.070 0.995 1.00 0.00 H new ATOM 0 HA GLU A 24 5.948 -7.308 0.771 1.00 0.00 H new ATOM 0 HB2 GLU A 24 3.578 -6.917 -1.099 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.203 -6.343 -1.413 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.462 -9.261 -1.013 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.628 -8.485 -2.575 1.00 0.00 H new ATOM 316 N SER A 25 5.367 -4.686 0.580 1.00 0.00 N ATOM 317 CA SER A 25 5.209 -3.297 0.993 1.00 0.00 C ATOM 318 C SER A 25 4.452 -2.499 -0.064 1.00 0.00 C ATOM 319 O SER A 25 4.869 -2.425 -1.219 1.00 0.00 O ATOM 320 CB SER A 25 6.576 -2.659 1.247 1.00 0.00 C ATOM 321 OG SER A 25 7.376 -2.685 0.078 1.00 0.00 O ATOM 0 H SER A 25 6.080 -4.835 -0.134 1.00 0.00 H new ATOM 0 HA SER A 25 4.632 -3.282 1.918 1.00 0.00 H new ATOM 0 HB2 SER A 25 6.444 -1.629 1.578 1.00 0.00 H new ATOM 0 HB3 SER A 25 7.085 -3.190 2.052 1.00 0.00 H new ATOM 0 HG SER A 25 6.799 -2.658 -0.714 1.00 0.00 H new ATOM 327 N ALA A 26 3.336 -1.902 0.341 1.00 0.00 N ATOM 328 CA ALA A 26 2.520 -1.107 -0.570 1.00 0.00 C ATOM 329 C ALA A 26 2.976 0.348 -0.586 1.00 0.00 C ATOM 330 O ALA A 26 3.508 0.855 0.402 1.00 0.00 O ATOM 331 CB ALA A 26 1.052 -1.199 -0.180 1.00 0.00 C ATOM 0 H ALA A 26 2.976 -1.953 1.294 1.00 0.00 H new ATOM 0 HA ALA A 26 2.643 -1.510 -1.575 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.455 -0.601 -0.868 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.728 -2.239 -0.227 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.921 -0.823 0.835 1.00 0.00 H new ATOM 337 N THR A 27 2.764 1.017 -1.716 1.00 0.00 N ATOM 338 CA THR A 27 3.154 2.413 -1.862 1.00 0.00 C ATOM 339 C THR A 27 1.953 3.288 -2.200 1.00 0.00 C ATOM 340 O THR A 27 1.539 3.371 -3.357 1.00 0.00 O ATOM 341 CB THR A 27 4.225 2.586 -2.956 1.00 0.00 C ATOM 342 OG1 THR A 27 5.263 1.614 -2.783 1.00 0.00 O ATOM 343 CG2 THR A 27 4.821 3.985 -2.914 1.00 0.00 C ATOM 0 H THR A 27 2.324 0.613 -2.543 1.00 0.00 H new ATOM 0 HA THR A 27 3.569 2.726 -0.904 1.00 0.00 H new ATOM 0 HB THR A 27 3.749 2.440 -3.926 1.00 0.00 H new ATOM 0 HG1 THR A 27 5.939 1.729 -3.483 1.00 0.00 H new ATOM 0 HG21 THR A 27 5.575 4.083 -3.695 1.00 0.00 H new ATOM 0 HG22 THR A 27 4.033 4.721 -3.075 1.00 0.00 H new ATOM 0 HG23 THR A 27 5.283 4.155 -1.941 1.00 0.00 H new ATOM 351 N LEU A 28 1.396 3.939 -1.185 1.00 0.00 N ATOM 352 CA LEU A 28 0.241 4.809 -1.375 1.00 0.00 C ATOM 353 C LEU A 28 0.679 6.236 -1.690 1.00 0.00 C ATOM 354 O LEU A 28 0.926 7.033 -0.785 1.00 0.00 O ATOM 355 CB LEU A 28 -0.642 4.798 -0.126 1.00 0.00 C ATOM 356 CG LEU A 28 -1.125 3.425 0.343 1.00 0.00 C ATOM 357 CD1 LEU A 28 -1.836 3.538 1.682 1.00 0.00 C ATOM 358 CD2 LEU A 28 -2.040 2.797 -0.698 1.00 0.00 C ATOM 0 H LEU A 28 1.726 3.881 -0.222 1.00 0.00 H new ATOM 0 HA LEU A 28 -0.332 4.430 -2.221 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.089 5.264 0.689 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.515 5.422 -0.317 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.256 2.779 0.470 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.173 2.551 2.000 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.150 3.944 2.425 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.696 4.200 1.582 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.374 1.821 -0.347 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.905 3.441 -0.858 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.497 2.679 -1.636 1.00 0.00 H new ATOM 370 N ARG A 29 0.772 6.550 -2.977 1.00 0.00 N ATOM 371 CA ARG A 29 1.180 7.881 -3.411 1.00 0.00 C ATOM 372 C ARG A 29 0.128 8.921 -3.035 1.00 0.00 C ATOM 373 O ARG A 29 -1.066 8.722 -3.259 1.00 0.00 O ATOM 374 CB ARG A 29 1.413 7.899 -4.923 1.00 0.00 C ATOM 375 CG ARG A 29 2.728 7.264 -5.344 1.00 0.00 C ATOM 376 CD ARG A 29 3.913 8.148 -4.987 1.00 0.00 C ATOM 377 NE ARG A 29 5.184 7.443 -5.129 1.00 0.00 N ATOM 378 CZ ARG A 29 6.338 7.906 -4.661 1.00 0.00 C ATOM 379 NH1 ARG A 29 6.380 9.068 -4.023 1.00 0.00 N ATOM 380 NH2 ARG A 29 7.453 7.206 -4.829 1.00 0.00 N ATOM 0 H ARG A 29 0.571 5.901 -3.738 1.00 0.00 H new ATOM 0 HA ARG A 29 2.112 8.132 -2.904 1.00 0.00 H new ATOM 0 HB2 ARG A 29 0.593 7.376 -5.415 1.00 0.00 H new ATOM 0 HB3 ARG A 29 1.389 8.931 -5.274 1.00 0.00 H new ATOM 0 HG2 ARG A 29 2.837 6.294 -4.859 1.00 0.00 H new ATOM 0 HG3 ARG A 29 2.718 7.083 -6.419 1.00 0.00 H new ATOM 0 HD2 ARG A 29 3.914 9.029 -5.628 1.00 0.00 H new ATOM 0 HD3 ARG A 29 3.806 8.500 -3.961 1.00 0.00 H new ATOM 0 HE ARG A 29 5.186 6.546 -5.614 1.00 0.00 H new ATOM 0 HH11 ARG A 29 5.525 9.608 -3.891 1.00 0.00 H new ATOM 0 HH12 ARG A 29 7.267 9.421 -3.665 1.00 0.00 H new ATOM 0 HH21 ARG A 29 7.425 6.311 -5.318 1.00 0.00 H new ATOM 0 HH22 ARG A 29 8.338 7.563 -4.469 1.00 0.00 H new ATOM 394 N CYS A 30 0.580 10.032 -2.462 1.00 0.00 N ATOM 395 CA CYS A 30 -0.320 11.103 -2.054 1.00 0.00 C ATOM 396 C CYS A 30 0.417 12.438 -1.990 1.00 0.00 C ATOM 397 O CYS A 30 1.536 12.517 -1.484 1.00 0.00 O ATOM 398 CB CYS A 30 -0.941 10.785 -0.692 1.00 0.00 C ATOM 399 SG CYS A 30 -2.089 12.061 -0.082 1.00 0.00 S ATOM 0 H CYS A 30 1.565 10.213 -2.270 1.00 0.00 H new ATOM 0 HA CYS A 30 -1.113 11.181 -2.798 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -1.472 9.836 -0.760 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -0.142 10.652 0.037 1.00 0.00 H new ATOM 404 N ALA A 31 -0.219 13.484 -2.506 1.00 0.00 N ATOM 405 CA ALA A 31 0.374 14.816 -2.505 1.00 0.00 C ATOM 406 C ALA A 31 -0.702 15.896 -2.528 1.00 0.00 C ATOM 407 O ALA A 31 -1.876 15.611 -2.762 1.00 0.00 O ATOM 408 CB ALA A 31 1.311 14.977 -3.693 1.00 0.00 C ATOM 0 H ALA A 31 -1.145 13.435 -2.930 1.00 0.00 H new ATOM 0 HA ALA A 31 0.947 14.931 -1.585 1.00 0.00 H new ATOM 0 HB1 ALA A 31 1.747 15.976 -3.680 1.00 0.00 H new ATOM 0 HB2 ALA A 31 2.106 14.234 -3.633 1.00 0.00 H new ATOM 0 HB3 ALA A 31 0.753 14.837 -4.618 1.00 0.00 H new ATOM 414 N MET A 32 -0.294 17.137 -2.282 1.00 0.00 N ATOM 415 CA MET A 32 -1.224 18.260 -2.274 1.00 0.00 C ATOM 416 C MET A 32 -0.706 19.400 -3.144 1.00 0.00 C ATOM 417 O MET A 32 0.502 19.614 -3.252 1.00 0.00 O ATOM 418 CB MET A 32 -1.448 18.755 -0.844 1.00 0.00 C ATOM 419 CG MET A 32 -2.423 17.900 -0.051 1.00 0.00 C ATOM 420 SD MET A 32 -1.615 16.530 0.797 1.00 0.00 S ATOM 421 CE MET A 32 -2.864 15.255 0.648 1.00 0.00 C ATOM 0 H MET A 32 0.674 17.390 -2.086 1.00 0.00 H new ATOM 0 HA MET A 32 -2.174 17.916 -2.684 1.00 0.00 H new ATOM 0 HB2 MET A 32 -0.491 18.779 -0.322 1.00 0.00 H new ATOM 0 HB3 MET A 32 -1.819 19.779 -0.877 1.00 0.00 H new ATOM 0 HG2 MET A 32 -2.935 18.524 0.681 1.00 0.00 H new ATOM 0 HG3 MET A 32 -3.186 17.507 -0.723 1.00 0.00 H new ATOM 0 HE1 MET A 32 -2.592 14.404 1.273 1.00 0.00 H new ATOM 0 HE2 MET A 32 -3.827 15.650 0.971 1.00 0.00 H new ATOM 0 HE3 MET A 32 -2.934 14.934 -0.391 1.00 0.00 H new ATOM 431 N THR A 33 -1.627 20.131 -3.765 1.00 0.00 N ATOM 432 CA THR A 33 -1.263 21.249 -4.627 1.00 0.00 C ATOM 433 C THR A 33 -0.776 22.438 -3.808 1.00 0.00 C ATOM 434 O THR A 33 -0.350 23.452 -4.361 1.00 0.00 O ATOM 435 CB THR A 33 -2.450 21.694 -5.501 1.00 0.00 C ATOM 436 OG1 THR A 33 -3.459 22.300 -4.686 1.00 0.00 O ATOM 437 CG2 THR A 33 -3.042 20.511 -6.253 1.00 0.00 C ATOM 0 H THR A 33 -2.631 19.969 -3.687 1.00 0.00 H new ATOM 0 HA THR A 33 -0.457 20.901 -5.273 1.00 0.00 H new ATOM 0 HB THR A 33 -2.085 22.421 -6.227 1.00 0.00 H new ATOM 0 HG1 THR A 33 -4.209 22.582 -5.250 1.00 0.00 H new ATOM 0 HG21 THR A 33 -3.879 20.850 -6.864 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.280 20.070 -6.895 1.00 0.00 H new ATOM 0 HG23 THR A 33 -3.392 19.765 -5.540 1.00 0.00 H new ATOM 445 N SER A 34 -0.840 22.308 -2.487 1.00 0.00 N ATOM 446 CA SER A 34 -0.408 23.374 -1.591 1.00 0.00 C ATOM 447 C SER A 34 -0.431 22.907 -0.139 1.00 0.00 C ATOM 448 O SER A 34 -0.761 21.756 0.150 1.00 0.00 O ATOM 449 CB SER A 34 -1.305 24.603 -1.757 1.00 0.00 C ATOM 450 OG SER A 34 -0.607 25.791 -1.428 1.00 0.00 O ATOM 0 H SER A 34 -1.187 21.474 -2.013 1.00 0.00 H new ATOM 0 HA SER A 34 0.616 23.641 -1.852 1.00 0.00 H new ATOM 0 HB2 SER A 34 -1.662 24.660 -2.785 1.00 0.00 H new ATOM 0 HB3 SER A 34 -2.183 24.505 -1.119 1.00 0.00 H new ATOM 0 HG SER A 34 -1.201 26.562 -1.544 1.00 0.00 H new ATOM 456 N LEU A 35 -0.077 23.807 0.771 1.00 0.00 N ATOM 457 CA LEU A 35 -0.055 23.488 2.195 1.00 0.00 C ATOM 458 C LEU A 35 -1.003 24.398 2.970 1.00 0.00 C ATOM 459 O LEU A 35 -1.068 24.340 4.199 1.00 0.00 O ATOM 460 CB LEU A 35 1.365 23.623 2.747 1.00 0.00 C ATOM 461 CG LEU A 35 2.457 22.879 1.978 1.00 0.00 C ATOM 462 CD1 LEU A 35 3.805 23.557 2.175 1.00 0.00 C ATOM 463 CD2 LEU A 35 2.521 21.424 2.417 1.00 0.00 C ATOM 0 H LEU A 35 0.199 24.764 0.549 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.388 22.457 2.317 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.624 24.681 2.774 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.368 23.268 3.778 1.00 0.00 H new ATOM 0 HG LEU A 35 2.211 22.907 0.917 1.00 0.00 H new ATOM 0 HD11 LEU A 35 4.570 23.014 1.620 1.00 0.00 H new ATOM 0 HD12 LEU A 35 3.753 24.583 1.811 1.00 0.00 H new ATOM 0 HD13 LEU A 35 4.059 23.561 3.235 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.304 20.910 1.859 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.743 21.375 3.483 1.00 0.00 H new ATOM 0 HD23 LEU A 35 1.562 20.943 2.224 1.00 0.00 H new ATOM 475 N ILE A 36 -1.737 25.235 2.245 1.00 0.00 N ATOM 476 CA ILE A 36 -2.684 26.153 2.865 1.00 0.00 C ATOM 477 C ILE A 36 -4.103 25.900 2.367 1.00 0.00 C ATOM 478 O ILE A 36 -4.343 25.701 1.176 1.00 0.00 O ATOM 479 CB ILE A 36 -2.309 27.621 2.587 1.00 0.00 C ATOM 480 CG1 ILE A 36 -0.886 27.907 3.071 1.00 0.00 C ATOM 481 CG2 ILE A 36 -3.301 28.558 3.259 1.00 0.00 C ATOM 482 CD1 ILE A 36 -0.609 27.397 4.468 1.00 0.00 C ATOM 0 H ILE A 36 -1.694 25.296 1.228 1.00 0.00 H new ATOM 0 HA ILE A 36 -2.641 25.972 3.939 1.00 0.00 H new ATOM 0 HB ILE A 36 -2.348 27.793 1.511 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -0.177 27.451 2.379 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -0.711 28.983 3.044 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.022 29.591 3.053 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.302 28.368 2.871 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -3.291 28.387 4.335 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.418 27.635 4.745 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.294 27.872 5.171 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -0.752 26.317 4.496 1.00 0.00 H new ATOM 494 N PRO A 37 -5.067 25.908 3.299 1.00 0.00 N ATOM 495 CA PRO A 37 -4.793 26.143 4.720 1.00 0.00 C ATOM 496 C PRO A 37 -4.044 24.982 5.366 1.00 0.00 C ATOM 497 O PRO A 37 -4.233 23.824 4.993 1.00 0.00 O ATOM 498 CB PRO A 37 -6.189 26.285 5.332 1.00 0.00 C ATOM 499 CG PRO A 37 -7.084 25.525 4.414 1.00 0.00 C ATOM 500 CD PRO A 37 -6.500 25.688 3.038 1.00 0.00 C ATOM 0 HA PRO A 37 -4.155 27.013 4.873 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -6.221 25.879 6.343 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -6.487 27.331 5.399 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -7.130 24.473 4.696 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -8.103 25.911 4.454 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -6.665 24.803 2.424 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -6.946 26.530 2.509 1.00 0.00 H new ATOM 508 N VAL A 38 -3.193 25.300 6.336 1.00 0.00 N ATOM 509 CA VAL A 38 -2.416 24.283 7.035 1.00 0.00 C ATOM 510 C VAL A 38 -3.283 23.083 7.398 1.00 0.00 C ATOM 511 O VAL A 38 -4.485 23.217 7.624 1.00 0.00 O ATOM 512 CB VAL A 38 -1.777 24.848 8.318 1.00 0.00 C ATOM 513 CG1 VAL A 38 -0.690 23.915 8.828 1.00 0.00 C ATOM 514 CG2 VAL A 38 -1.221 26.242 8.067 1.00 0.00 C ATOM 0 H VAL A 38 -3.024 26.254 6.656 1.00 0.00 H new ATOM 0 HA VAL A 38 -1.626 23.965 6.355 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.548 24.922 9.085 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -0.250 24.330 9.735 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.122 22.939 9.049 1.00 0.00 H new ATOM 0 HG13 VAL A 38 0.083 23.806 8.067 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -0.773 26.626 8.984 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.463 26.196 7.285 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -2.028 26.904 7.752 1.00 0.00 H new ATOM 524 N GLY A 39 -2.663 21.908 7.454 1.00 0.00 N ATOM 525 CA GLY A 39 -3.393 20.699 7.791 1.00 0.00 C ATOM 526 C GLY A 39 -2.549 19.450 7.636 1.00 0.00 C ATOM 527 O GLY A 39 -1.844 19.270 6.643 1.00 0.00 O ATOM 0 H GLY A 39 -1.669 21.772 7.272 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -3.749 20.768 8.819 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -4.273 20.620 7.153 1.00 0.00 H new ATOM 531 N PRO A 40 -2.614 18.559 8.637 1.00 0.00 N ATOM 532 CA PRO A 40 -1.855 17.305 8.631 1.00 0.00 C ATOM 533 C PRO A 40 -2.373 16.319 7.589 1.00 0.00 C ATOM 534 O PRO A 40 -3.150 16.685 6.707 1.00 0.00 O ATOM 535 CB PRO A 40 -2.071 16.754 10.043 1.00 0.00 C ATOM 536 CG PRO A 40 -3.362 17.348 10.489 1.00 0.00 C ATOM 537 CD PRO A 40 -3.434 18.708 9.851 1.00 0.00 C ATOM 0 HA PRO A 40 -0.807 17.463 8.376 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -2.117 15.665 10.040 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -1.255 17.037 10.707 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -4.204 16.728 10.182 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -3.402 17.424 11.576 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -4.460 18.985 9.611 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -3.040 19.482 10.509 1.00 0.00 H new ATOM 545 N ILE A 41 -1.939 15.068 7.698 1.00 0.00 N ATOM 546 CA ILE A 41 -2.360 14.030 6.766 1.00 0.00 C ATOM 547 C ILE A 41 -2.826 12.781 7.508 1.00 0.00 C ATOM 548 O ILE A 41 -2.121 12.262 8.373 1.00 0.00 O ATOM 549 CB ILE A 41 -1.224 13.645 5.800 1.00 0.00 C ATOM 550 CG1 ILE A 41 -0.689 14.889 5.087 1.00 0.00 C ATOM 551 CG2 ILE A 41 -1.712 12.617 4.791 1.00 0.00 C ATOM 552 CD1 ILE A 41 -1.731 15.604 4.256 1.00 0.00 C ATOM 0 H ILE A 41 -1.296 14.749 8.423 1.00 0.00 H new ATOM 0 HA ILE A 41 -3.191 14.440 6.192 1.00 0.00 H new ATOM 0 HB ILE A 41 -0.411 13.202 6.375 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.291 15.581 5.830 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.142 14.600 4.443 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -0.898 12.355 4.115 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -2.049 11.723 5.316 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -2.539 13.035 4.217 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.281 16.475 3.780 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.112 14.928 3.490 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -2.551 15.924 4.898 1.00 0.00 H new ATOM 564 N MET A 42 -4.017 12.304 7.162 1.00 0.00 N ATOM 565 CA MET A 42 -4.576 11.114 7.793 1.00 0.00 C ATOM 566 C MET A 42 -5.120 10.148 6.745 1.00 0.00 C ATOM 567 O MET A 42 -6.003 10.499 5.964 1.00 0.00 O ATOM 568 CB MET A 42 -5.686 11.503 8.770 1.00 0.00 C ATOM 569 CG MET A 42 -5.185 12.260 9.990 1.00 0.00 C ATOM 570 SD MET A 42 -6.413 12.344 11.308 1.00 0.00 S ATOM 571 CE MET A 42 -5.786 13.721 12.267 1.00 0.00 C ATOM 0 H MET A 42 -4.613 12.723 6.448 1.00 0.00 H new ATOM 0 HA MET A 42 -3.778 10.615 8.342 1.00 0.00 H new ATOM 0 HB2 MET A 42 -6.420 12.117 8.248 1.00 0.00 H new ATOM 0 HB3 MET A 42 -6.202 10.601 9.099 1.00 0.00 H new ATOM 0 HG2 MET A 42 -4.284 11.776 10.368 1.00 0.00 H new ATOM 0 HG3 MET A 42 -4.904 13.271 9.695 1.00 0.00 H new ATOM 0 HE1 MET A 42 -5.864 13.490 13.329 1.00 0.00 H new ATOM 0 HE2 MET A 42 -4.742 13.898 12.009 1.00 0.00 H new ATOM 0 HE3 MET A 42 -6.371 14.614 12.047 1.00 0.00 H new ATOM 581 N TRP A 43 -4.586 8.932 6.736 1.00 0.00 N ATOM 582 CA TRP A 43 -5.019 7.915 5.783 1.00 0.00 C ATOM 583 C TRP A 43 -6.177 7.099 6.346 1.00 0.00 C ATOM 584 O TRP A 43 -6.182 6.743 7.525 1.00 0.00 O ATOM 585 CB TRP A 43 -3.853 6.991 5.428 1.00 0.00 C ATOM 586 CG TRP A 43 -2.877 7.607 4.470 1.00 0.00 C ATOM 587 CD1 TRP A 43 -1.785 8.363 4.787 1.00 0.00 C ATOM 588 CD2 TRP A 43 -2.908 7.520 3.042 1.00 0.00 C ATOM 589 NE1 TRP A 43 -1.134 8.751 3.640 1.00 0.00 N ATOM 590 CE2 TRP A 43 -1.803 8.246 2.556 1.00 0.00 C ATOM 591 CE3 TRP A 43 -3.760 6.897 2.125 1.00 0.00 C ATOM 592 CZ2 TRP A 43 -1.531 8.367 1.196 1.00 0.00 C ATOM 593 CZ3 TRP A 43 -3.488 7.018 0.776 1.00 0.00 C ATOM 594 CH2 TRP A 43 -2.381 7.747 0.321 1.00 0.00 C ATOM 0 H TRP A 43 -3.854 8.626 7.377 1.00 0.00 H new ATOM 0 HA TRP A 43 -5.361 8.421 4.880 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -3.328 6.713 6.342 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -4.246 6.072 4.994 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -1.478 8.618 5.790 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -0.290 9.322 3.602 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -4.615 6.332 2.465 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -0.679 8.930 0.844 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -4.140 6.542 0.059 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -2.195 7.821 -0.740 1.00 0.00 H new ATOM 605 N PHE A 44 -7.156 6.806 5.498 1.00 0.00 N ATOM 606 CA PHE A 44 -8.321 6.032 5.912 1.00 0.00 C ATOM 607 C PHE A 44 -8.821 5.150 4.772 1.00 0.00 C ATOM 608 O PHE A 44 -9.102 5.634 3.676 1.00 0.00 O ATOM 609 CB PHE A 44 -9.440 6.965 6.379 1.00 0.00 C ATOM 610 CG PHE A 44 -9.072 7.788 7.580 1.00 0.00 C ATOM 611 CD1 PHE A 44 -9.120 7.241 8.852 1.00 0.00 C ATOM 612 CD2 PHE A 44 -8.680 9.109 7.437 1.00 0.00 C ATOM 613 CE1 PHE A 44 -8.781 7.996 9.960 1.00 0.00 C ATOM 614 CE2 PHE A 44 -8.340 9.869 8.540 1.00 0.00 C ATOM 615 CZ PHE A 44 -8.392 9.312 9.803 1.00 0.00 C ATOM 0 H PHE A 44 -7.167 7.093 4.519 1.00 0.00 H new ATOM 0 HA PHE A 44 -8.024 5.390 6.741 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -9.711 7.632 5.561 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -10.324 6.371 6.612 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -9.426 6.213 8.980 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -8.640 9.550 6.452 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -8.820 7.557 10.946 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -8.034 10.897 8.415 1.00 0.00 H new ATOM 0 HZ PHE A 44 -8.129 9.905 10.667 1.00 0.00 H new ATOM 625 N ARG A 45 -8.929 3.852 5.039 1.00 0.00 N ATOM 626 CA ARG A 45 -9.393 2.901 4.036 1.00 0.00 C ATOM 627 C ARG A 45 -10.883 2.620 4.203 1.00 0.00 C ATOM 628 O ARG A 45 -11.305 2.012 5.185 1.00 0.00 O ATOM 629 CB ARG A 45 -8.602 1.596 4.136 1.00 0.00 C ATOM 630 CG ARG A 45 -8.952 0.588 3.053 1.00 0.00 C ATOM 631 CD ARG A 45 -8.764 -0.841 3.541 1.00 0.00 C ATOM 632 NE ARG A 45 -9.394 -1.063 4.839 1.00 0.00 N ATOM 633 CZ ARG A 45 -10.688 -1.324 4.993 1.00 0.00 C ATOM 634 NH1 ARG A 45 -11.484 -1.394 3.935 1.00 0.00 N ATOM 635 NH2 ARG A 45 -11.187 -1.515 6.208 1.00 0.00 N ATOM 0 H ARG A 45 -8.701 3.435 5.942 1.00 0.00 H new ATOM 0 HA ARG A 45 -9.232 3.341 3.052 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -7.537 1.821 4.081 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -8.782 1.145 5.112 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -9.986 0.734 2.739 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -8.326 0.760 2.178 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -9.185 -1.532 2.811 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -7.699 -1.063 3.612 1.00 0.00 H new ATOM 0 HE ARG A 45 -8.809 -1.015 5.673 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -11.104 -1.247 3.000 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -12.477 -1.594 4.056 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -10.577 -1.461 7.024 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -12.180 -1.715 6.326 1.00 0.00 H new ATOM 649 N GLY A 46 -11.677 3.068 3.234 1.00 0.00 N ATOM 650 CA GLY A 46 -13.111 2.855 3.293 1.00 0.00 C ATOM 651 C GLY A 46 -13.872 4.123 3.624 1.00 0.00 C ATOM 652 O GLY A 46 -14.771 4.114 4.464 1.00 0.00 O ATOM 0 H GLY A 46 -11.352 3.574 2.410 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -13.457 2.467 2.335 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -13.332 2.096 4.043 1.00 0.00 H new ATOM 656 N ALA A 47 -13.510 5.218 2.963 1.00 0.00 N ATOM 657 CA ALA A 47 -14.166 6.500 3.192 1.00 0.00 C ATOM 658 C ALA A 47 -15.644 6.311 3.517 1.00 0.00 C ATOM 659 O ALA A 47 -16.300 5.424 2.973 1.00 0.00 O ATOM 660 CB ALA A 47 -14.002 7.401 1.977 1.00 0.00 C ATOM 0 H ALA A 47 -12.767 5.243 2.265 1.00 0.00 H new ATOM 0 HA ALA A 47 -13.690 6.975 4.050 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -14.497 8.355 2.162 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -12.942 7.572 1.791 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -14.450 6.923 1.106 1.00 0.00 H new ATOM 690 N ARG A 51 -14.476 3.597 7.653 1.00 0.00 N ATOM 691 CA ARG A 51 -13.062 3.688 7.310 1.00 0.00 C ATOM 692 C ARG A 51 -12.189 3.500 8.547 1.00 0.00 C ATOM 693 O ARG A 51 -12.485 4.036 9.614 1.00 0.00 O ATOM 694 CB ARG A 51 -12.758 5.039 6.660 1.00 0.00 C ATOM 695 CG ARG A 51 -12.876 6.215 7.615 1.00 0.00 C ATOM 696 CD ARG A 51 -12.898 7.540 6.869 1.00 0.00 C ATOM 697 NE ARG A 51 -13.307 8.646 7.729 1.00 0.00 N ATOM 698 CZ ARG A 51 -13.120 9.925 7.421 1.00 0.00 C ATOM 699 NH1 ARG A 51 -12.534 10.256 6.279 1.00 0.00 N ATOM 700 NH2 ARG A 51 -13.520 10.875 8.256 1.00 0.00 N ATOM 0 HA ARG A 51 -12.835 2.892 6.601 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -11.749 5.016 6.249 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -13.440 5.192 5.823 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -13.786 6.114 8.207 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -12.039 6.203 8.313 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -11.907 7.744 6.463 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -13.581 7.468 6.022 1.00 0.00 H new ATOM 0 HE ARG A 51 -13.761 8.425 8.615 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -12.226 9.528 5.634 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -12.392 11.239 6.045 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -13.972 10.624 9.135 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -13.376 11.856 8.019 1.00 0.00 H new ATOM 714 N GLU A 52 -11.114 2.733 8.396 1.00 0.00 N ATOM 715 CA GLU A 52 -10.199 2.474 9.502 1.00 0.00 C ATOM 716 C GLU A 52 -8.924 3.299 9.358 1.00 0.00 C ATOM 717 O GLU A 52 -8.286 3.299 8.304 1.00 0.00 O ATOM 718 CB GLU A 52 -9.852 0.985 9.567 1.00 0.00 C ATOM 719 CG GLU A 52 -8.821 0.646 10.630 1.00 0.00 C ATOM 720 CD GLU A 52 -8.833 -0.823 11.007 1.00 0.00 C ATOM 721 OE1 GLU A 52 -9.920 -1.435 10.978 1.00 0.00 O ATOM 722 OE2 GLU A 52 -7.753 -1.360 11.331 1.00 0.00 O ATOM 0 H GLU A 52 -10.855 2.280 7.519 1.00 0.00 H new ATOM 0 HA GLU A 52 -10.696 2.765 10.427 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -10.762 0.417 9.761 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -9.478 0.665 8.595 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -7.829 0.916 10.268 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -9.010 1.247 11.519 1.00 0.00 H new ATOM 729 N LEU A 53 -8.557 4.001 10.425 1.00 0.00 N ATOM 730 CA LEU A 53 -7.358 4.831 10.419 1.00 0.00 C ATOM 731 C LEU A 53 -6.135 4.018 10.009 1.00 0.00 C ATOM 732 O LEU A 53 -5.814 3.005 10.630 1.00 0.00 O ATOM 733 CB LEU A 53 -7.135 5.448 11.801 1.00 0.00 C ATOM 734 CG LEU A 53 -5.883 6.313 11.956 1.00 0.00 C ATOM 735 CD1 LEU A 53 -5.912 7.474 10.975 1.00 0.00 C ATOM 736 CD2 LEU A 53 -5.760 6.822 13.385 1.00 0.00 C ATOM 0 H LEU A 53 -9.073 4.012 11.305 1.00 0.00 H new ATOM 0 HA LEU A 53 -7.501 5.629 9.690 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -8.005 6.055 12.050 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -7.088 4.642 12.533 1.00 0.00 H new ATOM 0 HG LEU A 53 -5.010 5.699 11.734 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -5.014 8.078 11.100 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -5.951 7.089 9.956 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -6.792 8.089 11.165 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -4.864 7.435 13.477 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -6.636 7.420 13.635 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.692 5.975 14.068 1.00 0.00 H new ATOM 748 N ILE A 54 -5.455 4.470 8.960 1.00 0.00 N ATOM 749 CA ILE A 54 -4.265 3.786 8.470 1.00 0.00 C ATOM 750 C ILE A 54 -2.996 4.421 9.029 1.00 0.00 C ATOM 751 O ILE A 54 -2.091 3.724 9.488 1.00 0.00 O ATOM 752 CB ILE A 54 -4.199 3.805 6.931 1.00 0.00 C ATOM 753 CG1 ILE A 54 -5.499 3.257 6.337 1.00 0.00 C ATOM 754 CG2 ILE A 54 -3.006 2.998 6.442 1.00 0.00 C ATOM 755 CD1 ILE A 54 -5.715 1.785 6.610 1.00 0.00 C ATOM 0 H ILE A 54 -5.708 5.306 8.434 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.332 2.753 8.811 1.00 0.00 H new ATOM 0 HB ILE A 54 -4.076 4.836 6.600 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -6.340 3.820 6.742 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -5.494 3.421 5.259 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -2.973 3.021 5.353 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -2.088 3.428 6.842 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -3.101 1.966 6.780 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -6.655 1.466 6.160 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -4.894 1.211 6.181 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -5.752 1.616 7.686 1.00 0.00 H new ATOM 767 N TYR A 55 -2.938 5.748 8.988 1.00 0.00 N ATOM 768 CA TYR A 55 -1.780 6.477 9.491 1.00 0.00 C ATOM 769 C TYR A 55 -2.176 7.875 9.957 1.00 0.00 C ATOM 770 O TYR A 55 -3.181 8.427 9.512 1.00 0.00 O ATOM 771 CB TYR A 55 -0.703 6.575 8.408 1.00 0.00 C ATOM 772 CG TYR A 55 0.535 7.322 8.851 1.00 0.00 C ATOM 773 CD1 TYR A 55 1.448 6.738 9.720 1.00 0.00 C ATOM 774 CD2 TYR A 55 0.791 8.611 8.401 1.00 0.00 C ATOM 775 CE1 TYR A 55 2.580 7.416 10.128 1.00 0.00 C ATOM 776 CE2 TYR A 55 1.921 9.296 8.802 1.00 0.00 C ATOM 777 CZ TYR A 55 2.812 8.695 9.666 1.00 0.00 C ATOM 778 OH TYR A 55 3.939 9.375 10.069 1.00 0.00 O ATOM 0 H TYR A 55 -3.679 6.340 8.612 1.00 0.00 H new ATOM 0 HA TYR A 55 -1.380 5.929 10.344 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -0.419 5.569 8.098 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -1.123 7.071 7.533 1.00 0.00 H new ATOM 0 HD1 TYR A 55 1.270 5.737 10.083 1.00 0.00 H new ATOM 0 HD2 TYR A 55 0.094 9.086 7.726 1.00 0.00 H new ATOM 0 HE1 TYR A 55 3.279 6.948 10.805 1.00 0.00 H new ATOM 0 HE2 TYR A 55 2.106 10.297 8.441 1.00 0.00 H new ATOM 0 HH TYR A 55 3.953 10.262 9.652 1.00 0.00 H new ATOM 788 N ASN A 56 -1.378 8.440 10.856 1.00 0.00 N ATOM 789 CA ASN A 56 -1.644 9.773 11.384 1.00 0.00 C ATOM 790 C ASN A 56 -0.348 10.560 11.553 1.00 0.00 C ATOM 791 O ASN A 56 0.491 10.221 12.387 1.00 0.00 O ATOM 792 CB ASN A 56 -2.374 9.677 12.725 1.00 0.00 C ATOM 793 CG ASN A 56 -2.586 11.035 13.367 1.00 0.00 C ATOM 794 OD1 ASN A 56 -2.552 11.168 14.590 1.00 0.00 O ATOM 795 ND2 ASN A 56 -2.807 12.052 12.541 1.00 0.00 N ATOM 0 H ASN A 56 -0.541 7.996 11.234 1.00 0.00 H new ATOM 0 HA ASN A 56 -2.277 10.299 10.670 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -3.340 9.194 12.576 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -1.802 9.043 13.402 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -2.957 12.989 12.915 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -2.827 11.896 11.533 1.00 0.00 H new ATOM 802 N GLN A 57 -0.193 11.613 10.757 1.00 0.00 N ATOM 803 CA GLN A 57 1.001 12.448 10.819 1.00 0.00 C ATOM 804 C GLN A 57 1.099 13.158 12.165 1.00 0.00 C ATOM 805 O GLN A 57 2.125 13.091 12.841 1.00 0.00 O ATOM 806 CB GLN A 57 0.989 13.476 9.686 1.00 0.00 C ATOM 807 CG GLN A 57 2.371 13.993 9.319 1.00 0.00 C ATOM 808 CD GLN A 57 2.358 14.862 8.078 1.00 0.00 C ATOM 809 OE1 GLN A 57 1.411 14.828 7.292 1.00 0.00 O ATOM 810 NE2 GLN A 57 3.413 15.648 7.894 1.00 0.00 N ATOM 0 H GLN A 57 -0.879 11.908 10.062 1.00 0.00 H new ATOM 0 HA GLN A 57 1.872 11.803 10.705 1.00 0.00 H new ATOM 0 HB2 GLN A 57 0.532 13.027 8.804 1.00 0.00 H new ATOM 0 HB3 GLN A 57 0.361 14.318 9.977 1.00 0.00 H new ATOM 0 HG2 GLN A 57 2.774 14.565 10.154 1.00 0.00 H new ATOM 0 HG3 GLN A 57 3.040 13.148 9.159 1.00 0.00 H new ATOM 0 HE21 GLN A 57 4.176 15.644 8.571 1.00 0.00 H new ATOM 0 HE22 GLN A 57 3.460 16.255 7.076 1.00 0.00 H new ATOM 819 N LYS A 58 0.025 13.840 12.548 1.00 0.00 N ATOM 820 CA LYS A 58 -0.012 14.563 13.814 1.00 0.00 C ATOM 821 C LYS A 58 0.647 13.749 14.924 1.00 0.00 C ATOM 822 O LYS A 58 1.652 14.166 15.498 1.00 0.00 O ATOM 823 CB LYS A 58 -1.457 14.891 14.196 1.00 0.00 C ATOM 824 CG LYS A 58 -1.589 15.577 15.545 1.00 0.00 C ATOM 825 CD LYS A 58 -1.049 16.997 15.503 1.00 0.00 C ATOM 826 CE LYS A 58 -2.126 17.991 15.098 1.00 0.00 C ATOM 827 NZ LYS A 58 -1.543 19.263 14.586 1.00 0.00 N ATOM 0 H LYS A 58 -0.832 13.907 11.999 1.00 0.00 H new ATOM 0 HA LYS A 58 0.544 15.492 13.690 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -1.890 15.532 13.428 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -2.039 13.969 14.208 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.637 15.594 15.845 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -1.051 15.004 16.300 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -0.654 17.266 16.483 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -0.219 17.051 14.799 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -2.760 17.547 14.330 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -2.765 18.203 15.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -2.309 19.914 14.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.959 19.700 15.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -0.954 19.064 13.753 1.00 0.00 H new ATOM 841 N GLU A 59 0.073 12.587 15.220 1.00 0.00 N ATOM 842 CA GLU A 59 0.606 11.716 16.261 1.00 0.00 C ATOM 843 C GLU A 59 0.348 10.250 15.929 1.00 0.00 C ATOM 844 O GLU A 59 -0.234 9.930 14.893 1.00 0.00 O ATOM 845 CB GLU A 59 -0.019 12.061 17.615 1.00 0.00 C ATOM 846 CG GLU A 59 -1.538 12.088 17.595 1.00 0.00 C ATOM 847 CD GLU A 59 -2.143 11.902 18.973 1.00 0.00 C ATOM 848 OE1 GLU A 59 -1.902 12.760 19.848 1.00 0.00 O ATOM 849 OE2 GLU A 59 -2.858 10.898 19.176 1.00 0.00 O ATOM 0 H GLU A 59 -0.760 12.227 14.754 1.00 0.00 H new ATOM 0 HA GLU A 59 1.683 11.874 16.315 1.00 0.00 H new ATOM 0 HB2 GLU A 59 0.313 11.333 18.355 1.00 0.00 H new ATOM 0 HB3 GLU A 59 0.349 13.035 17.938 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -1.875 13.038 17.179 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -1.903 11.303 16.933 1.00 0.00 H new ATOM 856 N GLY A 60 0.787 9.362 16.816 1.00 0.00 N ATOM 857 CA GLY A 60 0.595 7.939 16.598 1.00 0.00 C ATOM 858 C GLY A 60 1.843 7.260 16.070 1.00 0.00 C ATOM 859 O GLY A 60 2.374 7.645 15.028 1.00 0.00 O ATOM 0 H GLY A 60 1.272 9.602 17.681 1.00 0.00 H new ATOM 0 HA2 GLY A 60 0.298 7.468 17.535 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -0.222 7.790 15.892 1.00 0.00 H new ATOM 863 N HIS A 61 2.315 6.248 16.791 1.00 0.00 N ATOM 864 CA HIS A 61 3.510 5.514 16.390 1.00 0.00 C ATOM 865 C HIS A 61 3.156 4.385 15.428 1.00 0.00 C ATOM 866 O HIS A 61 2.590 3.368 15.830 1.00 0.00 O ATOM 867 CB HIS A 61 4.224 4.949 17.618 1.00 0.00 C ATOM 868 CG HIS A 61 5.629 4.508 17.344 1.00 0.00 C ATOM 869 ND1 HIS A 61 5.949 3.233 16.927 1.00 0.00 N ATOM 870 CD2 HIS A 61 6.800 5.181 17.427 1.00 0.00 C ATOM 871 CE1 HIS A 61 7.257 3.141 16.768 1.00 0.00 C ATOM 872 NE2 HIS A 61 7.797 4.309 17.065 1.00 0.00 N ATOM 0 H HIS A 61 1.888 5.917 17.656 1.00 0.00 H new ATOM 0 HA HIS A 61 4.178 6.207 15.879 1.00 0.00 H new ATOM 0 HB2 HIS A 61 4.236 5.707 18.402 1.00 0.00 H new ATOM 0 HB3 HIS A 61 3.655 4.102 18.002 1.00 0.00 H new ATOM 0 HD2 HIS A 61 6.927 6.212 17.723 1.00 0.00 H new ATOM 0 HE1 HIS A 61 7.794 2.260 16.449 1.00 0.00 H new ATOM 0 HE2 HIS A 61 8.793 4.528 17.031 1.00 0.00 H new ATOM 881 N PHE A 62 3.492 4.570 14.155 1.00 0.00 N ATOM 882 CA PHE A 62 3.208 3.567 13.136 1.00 0.00 C ATOM 883 C PHE A 62 4.491 2.886 12.670 1.00 0.00 C ATOM 884 O PHE A 62 5.209 3.385 11.803 1.00 0.00 O ATOM 885 CB PHE A 62 2.496 4.210 11.943 1.00 0.00 C ATOM 886 CG PHE A 62 1.131 4.742 12.274 1.00 0.00 C ATOM 887 CD1 PHE A 62 0.986 5.944 12.946 1.00 0.00 C ATOM 888 CD2 PHE A 62 -0.007 4.038 11.914 1.00 0.00 C ATOM 889 CE1 PHE A 62 -0.268 6.437 13.253 1.00 0.00 C ATOM 890 CE2 PHE A 62 -1.264 4.526 12.217 1.00 0.00 C ATOM 891 CZ PHE A 62 -1.395 5.726 12.889 1.00 0.00 C ATOM 0 H PHE A 62 3.961 5.405 13.805 1.00 0.00 H new ATOM 0 HA PHE A 62 2.557 2.812 13.576 1.00 0.00 H new ATOM 0 HB2 PHE A 62 3.111 5.024 11.559 1.00 0.00 H new ATOM 0 HB3 PHE A 62 2.406 3.474 11.144 1.00 0.00 H new ATOM 0 HD1 PHE A 62 1.864 6.503 13.234 1.00 0.00 H new ATOM 0 HD2 PHE A 62 0.089 3.098 11.391 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -0.367 7.376 13.777 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -2.144 3.970 11.929 1.00 0.00 H new ATOM 0 HZ PHE A 62 -2.376 6.107 13.129 1.00 0.00 H new ATOM 901 N PRO A 63 4.789 1.719 13.260 1.00 0.00 N ATOM 902 CA PRO A 63 5.986 0.944 12.923 1.00 0.00 C ATOM 903 C PRO A 63 5.906 0.331 11.529 1.00 0.00 C ATOM 904 O PRO A 63 6.859 0.405 10.752 1.00 0.00 O ATOM 905 CB PRO A 63 6.010 -0.154 13.989 1.00 0.00 C ATOM 906 CG PRO A 63 4.589 -0.304 14.411 1.00 0.00 C ATOM 907 CD PRO A 63 3.978 1.066 14.302 1.00 0.00 C ATOM 0 HA PRO A 63 6.882 1.564 12.910 1.00 0.00 H new ATOM 0 HB2 PRO A 63 6.404 -1.087 13.587 1.00 0.00 H new ATOM 0 HB3 PRO A 63 6.645 0.124 14.830 1.00 0.00 H new ATOM 0 HG2 PRO A 63 4.066 -1.017 13.773 1.00 0.00 H new ATOM 0 HG3 PRO A 63 4.523 -0.681 15.432 1.00 0.00 H new ATOM 0 HD2 PRO A 63 2.926 1.016 14.020 1.00 0.00 H new ATOM 0 HD3 PRO A 63 4.029 1.605 15.248 1.00 0.00 H new ATOM 915 N ARG A 64 4.764 -0.274 11.218 1.00 0.00 N ATOM 916 CA ARG A 64 4.561 -0.900 9.917 1.00 0.00 C ATOM 917 C ARG A 64 4.693 0.124 8.794 1.00 0.00 C ATOM 918 O ARG A 64 5.272 -0.161 7.745 1.00 0.00 O ATOM 919 CB ARG A 64 3.184 -1.565 9.857 1.00 0.00 C ATOM 920 CG ARG A 64 2.979 -2.638 10.914 1.00 0.00 C ATOM 921 CD ARG A 64 1.506 -2.977 11.084 1.00 0.00 C ATOM 922 NE ARG A 64 0.949 -3.612 9.893 1.00 0.00 N ATOM 923 CZ ARG A 64 -0.142 -4.369 9.905 1.00 0.00 C ATOM 924 NH1 ARG A 64 -0.791 -4.584 11.042 1.00 0.00 N ATOM 925 NH2 ARG A 64 -0.588 -4.912 8.780 1.00 0.00 N ATOM 0 H ARG A 64 3.966 -0.344 11.849 1.00 0.00 H new ATOM 0 HA ARG A 64 5.330 -1.660 9.783 1.00 0.00 H new ATOM 0 HB2 ARG A 64 2.416 -0.801 9.973 1.00 0.00 H new ATOM 0 HB3 ARG A 64 3.046 -2.008 8.871 1.00 0.00 H new ATOM 0 HG2 ARG A 64 3.530 -3.536 10.635 1.00 0.00 H new ATOM 0 HG3 ARG A 64 3.387 -2.296 11.865 1.00 0.00 H new ATOM 0 HD2 ARG A 64 1.383 -3.641 11.940 1.00 0.00 H new ATOM 0 HD3 ARG A 64 0.948 -2.067 11.304 1.00 0.00 H new ATOM 0 HE ARG A 64 1.424 -3.466 9.002 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -0.452 -4.167 11.909 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -1.629 -5.166 11.049 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -0.093 -4.748 7.903 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -1.426 -5.493 8.791 1.00 0.00 H new ATOM 939 N VAL A 65 4.153 1.317 9.021 1.00 0.00 N ATOM 940 CA VAL A 65 4.210 2.384 8.029 1.00 0.00 C ATOM 941 C VAL A 65 5.569 3.075 8.044 1.00 0.00 C ATOM 942 O VAL A 65 6.115 3.374 9.106 1.00 0.00 O ATOM 943 CB VAL A 65 3.110 3.434 8.270 1.00 0.00 C ATOM 944 CG1 VAL A 65 3.178 4.530 7.217 1.00 0.00 C ATOM 945 CG2 VAL A 65 1.738 2.776 8.278 1.00 0.00 C ATOM 0 H VAL A 65 3.671 1.569 9.884 1.00 0.00 H new ATOM 0 HA VAL A 65 4.052 1.920 7.055 1.00 0.00 H new ATOM 0 HB VAL A 65 3.275 3.890 9.246 1.00 0.00 H new ATOM 0 HG11 VAL A 65 2.393 5.263 7.403 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.151 5.020 7.264 1.00 0.00 H new ATOM 0 HG13 VAL A 65 3.039 4.093 6.228 1.00 0.00 H new ATOM 0 HG21 VAL A 65 0.973 3.533 8.450 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.561 2.292 7.317 1.00 0.00 H new ATOM 0 HG23 VAL A 65 1.696 2.031 9.073 1.00 0.00 H new ATOM 955 N THR A 66 6.112 3.326 6.856 1.00 0.00 N ATOM 956 CA THR A 66 7.408 3.982 6.732 1.00 0.00 C ATOM 957 C THR A 66 7.341 5.151 5.757 1.00 0.00 C ATOM 958 O THR A 66 7.371 4.962 4.540 1.00 0.00 O ATOM 959 CB THR A 66 8.493 2.996 6.260 1.00 0.00 C ATOM 960 OG1 THR A 66 8.621 1.921 7.198 1.00 0.00 O ATOM 961 CG2 THR A 66 9.832 3.700 6.102 1.00 0.00 C ATOM 0 H THR A 66 5.674 3.085 5.967 1.00 0.00 H new ATOM 0 HA THR A 66 7.671 4.353 7.723 1.00 0.00 H new ATOM 0 HB THR A 66 8.193 2.597 5.291 1.00 0.00 H new ATOM 0 HG1 THR A 66 9.312 1.298 6.889 1.00 0.00 H new ATOM 0 HG21 THR A 66 10.583 2.984 5.768 1.00 0.00 H new ATOM 0 HG22 THR A 66 9.739 4.498 5.365 1.00 0.00 H new ATOM 0 HG23 THR A 66 10.136 4.124 7.059 1.00 0.00 H new ATOM 969 N THR A 67 7.250 6.362 6.297 1.00 0.00 N ATOM 970 CA THR A 67 7.179 7.563 5.474 1.00 0.00 C ATOM 971 C THR A 67 8.159 7.491 4.309 1.00 0.00 C ATOM 972 O THR A 67 9.375 7.508 4.506 1.00 0.00 O ATOM 973 CB THR A 67 7.474 8.829 6.301 1.00 0.00 C ATOM 974 OG1 THR A 67 8.693 8.663 7.033 1.00 0.00 O ATOM 975 CG2 THR A 67 6.334 9.124 7.265 1.00 0.00 C ATOM 0 H THR A 67 7.224 6.537 7.301 1.00 0.00 H new ATOM 0 HA THR A 67 6.162 7.620 5.086 1.00 0.00 H new ATOM 0 HB THR A 67 7.575 9.669 5.614 1.00 0.00 H new ATOM 0 HG1 THR A 67 9.358 8.221 6.465 1.00 0.00 H new ATOM 0 HG21 THR A 67 6.565 10.022 7.838 1.00 0.00 H new ATOM 0 HG22 THR A 67 5.413 9.279 6.703 1.00 0.00 H new ATOM 0 HG23 THR A 67 6.206 8.282 7.946 1.00 0.00 H new ATOM 983 N VAL A 68 7.624 7.410 3.095 1.00 0.00 N ATOM 984 CA VAL A 68 8.452 7.337 1.898 1.00 0.00 C ATOM 985 C VAL A 68 9.301 8.593 1.739 1.00 0.00 C ATOM 986 O VAL A 68 10.506 8.514 1.499 1.00 0.00 O ATOM 987 CB VAL A 68 7.595 7.147 0.633 1.00 0.00 C ATOM 988 CG1 VAL A 68 8.469 7.156 -0.612 1.00 0.00 C ATOM 989 CG2 VAL A 68 6.793 5.857 0.722 1.00 0.00 C ATOM 0 H VAL A 68 6.620 7.393 2.915 1.00 0.00 H new ATOM 0 HA VAL A 68 9.106 6.473 2.018 1.00 0.00 H new ATOM 0 HB VAL A 68 6.895 7.980 0.562 1.00 0.00 H new ATOM 0 HG11 VAL A 68 7.845 7.020 -1.495 1.00 0.00 H new ATOM 0 HG12 VAL A 68 8.994 8.109 -0.681 1.00 0.00 H new ATOM 0 HG13 VAL A 68 9.195 6.345 -0.553 1.00 0.00 H new ATOM 0 HG21 VAL A 68 6.193 5.739 -0.180 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.474 5.011 0.819 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.137 5.896 1.592 1.00 0.00 H new ATOM 999 N SER A 69 8.665 9.752 1.876 1.00 0.00 N ATOM 1000 CA SER A 69 9.361 11.026 1.745 1.00 0.00 C ATOM 1001 C SER A 69 9.691 11.609 3.116 1.00 0.00 C ATOM 1002 O SER A 69 9.049 11.279 4.113 1.00 0.00 O ATOM 1003 CB SER A 69 8.509 12.017 0.950 1.00 0.00 C ATOM 1004 OG SER A 69 9.262 13.162 0.588 1.00 0.00 O ATOM 0 H SER A 69 7.669 9.835 2.078 1.00 0.00 H new ATOM 0 HA SER A 69 10.294 10.848 1.211 1.00 0.00 H new ATOM 0 HB2 SER A 69 8.124 11.532 0.053 1.00 0.00 H new ATOM 0 HB3 SER A 69 7.646 12.318 1.544 1.00 0.00 H new ATOM 0 HG SER A 69 8.695 13.779 0.079 1.00 0.00 H new ATOM 1010 N GLU A 70 10.698 12.476 3.157 1.00 0.00 N ATOM 1011 CA GLU A 70 11.114 13.104 4.405 1.00 0.00 C ATOM 1012 C GLU A 70 10.168 14.239 4.786 1.00 0.00 C ATOM 1013 O GLU A 70 10.399 15.398 4.437 1.00 0.00 O ATOM 1014 CB GLU A 70 12.544 13.636 4.282 1.00 0.00 C ATOM 1015 CG GLU A 70 13.121 14.139 5.595 1.00 0.00 C ATOM 1016 CD GLU A 70 14.636 14.093 5.621 1.00 0.00 C ATOM 1017 OE1 GLU A 70 15.199 12.999 5.409 1.00 0.00 O ATOM 1018 OE2 GLU A 70 15.259 15.150 5.854 1.00 0.00 O ATOM 0 H GLU A 70 11.240 12.759 2.341 1.00 0.00 H new ATOM 0 HA GLU A 70 11.081 12.349 5.190 1.00 0.00 H new ATOM 0 HB2 GLU A 70 13.185 12.845 3.893 1.00 0.00 H new ATOM 0 HB3 GLU A 70 12.560 14.447 3.554 1.00 0.00 H new ATOM 0 HG2 GLU A 70 12.789 15.163 5.765 1.00 0.00 H new ATOM 0 HG3 GLU A 70 12.729 13.537 6.415 1.00 0.00 H new ATOM 1025 N LEU A 71 9.103 13.898 5.502 1.00 0.00 N ATOM 1026 CA LEU A 71 8.120 14.888 5.930 1.00 0.00 C ATOM 1027 C LEU A 71 8.753 15.915 6.863 1.00 0.00 C ATOM 1028 O LEU A 71 8.463 17.109 6.778 1.00 0.00 O ATOM 1029 CB LEU A 71 6.947 14.200 6.631 1.00 0.00 C ATOM 1030 CG LEU A 71 6.223 13.121 5.825 1.00 0.00 C ATOM 1031 CD1 LEU A 71 5.135 12.468 6.664 1.00 0.00 C ATOM 1032 CD2 LEU A 71 5.634 13.711 4.552 1.00 0.00 C ATOM 0 H LEU A 71 8.897 12.944 5.799 1.00 0.00 H new ATOM 0 HA LEU A 71 7.753 15.407 5.044 1.00 0.00 H new ATOM 0 HB2 LEU A 71 7.314 13.751 7.554 1.00 0.00 H new ATOM 0 HB3 LEU A 71 6.221 14.962 6.914 1.00 0.00 H new ATOM 0 HG LEU A 71 6.947 12.356 5.546 1.00 0.00 H new ATOM 0 HD11 LEU A 71 4.631 11.703 6.074 1.00 0.00 H new ATOM 0 HD12 LEU A 71 5.582 12.010 7.546 1.00 0.00 H new ATOM 0 HD13 LEU A 71 4.412 13.223 6.974 1.00 0.00 H new ATOM 0 HD21 LEU A 71 5.123 12.929 3.991 1.00 0.00 H new ATOM 0 HD22 LEU A 71 4.923 14.496 4.810 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.434 14.131 3.942 1.00 0.00 H new ATOM 1118 N ASN A 76 6.976 20.417 2.439 1.00 0.00 N ATOM 1119 CA ASN A 76 6.851 19.060 1.918 1.00 0.00 C ATOM 1120 C ASN A 76 5.425 18.786 1.452 1.00 0.00 C ATOM 1121 O ASN A 76 4.510 18.649 2.265 1.00 0.00 O ATOM 1122 CB ASN A 76 7.255 18.042 2.986 1.00 0.00 C ATOM 1123 CG ASN A 76 6.551 16.711 2.812 1.00 0.00 C ATOM 1124 OD1 ASN A 76 5.421 16.529 3.264 1.00 0.00 O ATOM 1125 ND2 ASN A 76 7.219 15.771 2.153 1.00 0.00 N ATOM 0 HA ASN A 76 7.519 18.963 1.062 1.00 0.00 H new ATOM 0 HB2 ASN A 76 8.333 17.887 2.947 1.00 0.00 H new ATOM 0 HB3 ASN A 76 7.026 18.445 3.973 1.00 0.00 H new ATOM 0 HD21 ASN A 76 6.797 14.854 2.005 1.00 0.00 H new ATOM 0 HD22 ASN A 76 8.154 15.966 1.795 1.00 0.00 H new ATOM 1132 N LEU A 77 5.243 18.706 0.138 1.00 0.00 N ATOM 1133 CA LEU A 77 3.928 18.447 -0.438 1.00 0.00 C ATOM 1134 C LEU A 77 3.691 16.949 -0.604 1.00 0.00 C ATOM 1135 O LEU A 77 2.557 16.477 -0.526 1.00 0.00 O ATOM 1136 CB LEU A 77 3.794 19.150 -1.790 1.00 0.00 C ATOM 1137 CG LEU A 77 3.796 20.678 -1.755 1.00 0.00 C ATOM 1138 CD1 LEU A 77 3.915 21.244 -3.162 1.00 0.00 C ATOM 1139 CD2 LEU A 77 2.538 21.198 -1.075 1.00 0.00 C ATOM 0 H LEU A 77 5.989 18.817 -0.548 1.00 0.00 H new ATOM 0 HA LEU A 77 3.176 18.841 0.245 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.612 18.820 -2.431 1.00 0.00 H new ATOM 0 HB3 LEU A 77 2.868 18.819 -2.259 1.00 0.00 H new ATOM 0 HG LEU A 77 4.660 21.007 -1.178 1.00 0.00 H new ATOM 0 HD11 LEU A 77 3.915 22.333 -3.117 1.00 0.00 H new ATOM 0 HD12 LEU A 77 4.845 20.900 -3.615 1.00 0.00 H new ATOM 0 HD13 LEU A 77 3.071 20.905 -3.763 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.557 22.288 -1.059 1.00 0.00 H new ATOM 0 HD22 LEU A 77 1.660 20.858 -1.625 1.00 0.00 H new ATOM 0 HD23 LEU A 77 2.494 20.821 -0.053 1.00 0.00 H new ATOM 1151 N ASP A 78 4.770 16.208 -0.832 1.00 0.00 N ATOM 1152 CA ASP A 78 4.681 14.763 -1.006 1.00 0.00 C ATOM 1153 C ASP A 78 4.417 14.070 0.327 1.00 0.00 C ATOM 1154 O ASP A 78 5.232 14.143 1.248 1.00 0.00 O ATOM 1155 CB ASP A 78 5.968 14.222 -1.631 1.00 0.00 C ATOM 1156 CG ASP A 78 5.772 12.867 -2.280 1.00 0.00 C ATOM 1157 OD1 ASP A 78 5.901 11.846 -1.573 1.00 0.00 O ATOM 1158 OD2 ASP A 78 5.490 12.827 -3.497 1.00 0.00 O ATOM 0 H ASP A 78 5.716 16.584 -0.901 1.00 0.00 H new ATOM 0 HA ASP A 78 3.846 14.554 -1.675 1.00 0.00 H new ATOM 0 HB2 ASP A 78 6.331 14.929 -2.376 1.00 0.00 H new ATOM 0 HB3 ASP A 78 6.737 14.145 -0.863 1.00 0.00 H new ATOM 1163 N PHE A 79 3.275 13.398 0.424 1.00 0.00 N ATOM 1164 CA PHE A 79 2.903 12.694 1.646 1.00 0.00 C ATOM 1165 C PHE A 79 2.731 11.201 1.382 1.00 0.00 C ATOM 1166 O PHE A 79 1.855 10.555 1.957 1.00 0.00 O ATOM 1167 CB PHE A 79 1.609 13.274 2.220 1.00 0.00 C ATOM 1168 CG PHE A 79 1.733 14.709 2.647 1.00 0.00 C ATOM 1169 CD1 PHE A 79 2.345 15.038 3.846 1.00 0.00 C ATOM 1170 CD2 PHE A 79 1.239 15.728 1.850 1.00 0.00 C ATOM 1171 CE1 PHE A 79 2.459 16.358 4.242 1.00 0.00 C ATOM 1172 CE2 PHE A 79 1.351 17.050 2.240 1.00 0.00 C ATOM 1173 CZ PHE A 79 1.963 17.364 3.437 1.00 0.00 C ATOM 0 H PHE A 79 2.591 13.326 -0.329 1.00 0.00 H new ATOM 0 HA PHE A 79 3.706 12.827 2.371 1.00 0.00 H new ATOM 0 HB2 PHE A 79 0.821 13.193 1.472 1.00 0.00 H new ATOM 0 HB3 PHE A 79 1.299 12.674 3.076 1.00 0.00 H new ATOM 0 HD1 PHE A 79 2.737 14.255 4.478 1.00 0.00 H new ATOM 0 HD2 PHE A 79 0.760 15.487 0.912 1.00 0.00 H new ATOM 0 HE1 PHE A 79 2.936 16.602 5.180 1.00 0.00 H new ATOM 0 HE2 PHE A 79 0.961 17.835 1.610 1.00 0.00 H new ATOM 0 HZ PHE A 79 2.054 18.396 3.743 1.00 0.00 H new ATOM 1183 N SER A 80 3.573 10.660 0.507 1.00 0.00 N ATOM 1184 CA SER A 80 3.513 9.244 0.163 1.00 0.00 C ATOM 1185 C SER A 80 4.057 8.385 1.300 1.00 0.00 C ATOM 1186 O SER A 80 5.078 8.711 1.906 1.00 0.00 O ATOM 1187 CB SER A 80 4.304 8.975 -1.118 1.00 0.00 C ATOM 1188 OG SER A 80 4.495 7.585 -1.317 1.00 0.00 O ATOM 0 H SER A 80 4.305 11.181 0.023 1.00 0.00 H new ATOM 0 HA SER A 80 2.468 8.979 -0.001 1.00 0.00 H new ATOM 0 HB2 SER A 80 3.775 9.398 -1.972 1.00 0.00 H new ATOM 0 HB3 SER A 80 5.271 9.474 -1.063 1.00 0.00 H new ATOM 0 HG SER A 80 5.002 7.439 -2.143 1.00 0.00 H new ATOM 1194 N ILE A 81 3.367 7.285 1.584 1.00 0.00 N ATOM 1195 CA ILE A 81 3.780 6.378 2.647 1.00 0.00 C ATOM 1196 C ILE A 81 3.968 4.960 2.118 1.00 0.00 C ATOM 1197 O ILE A 81 3.606 4.658 0.981 1.00 0.00 O ATOM 1198 CB ILE A 81 2.756 6.353 3.797 1.00 0.00 C ATOM 1199 CG1 ILE A 81 1.357 6.050 3.256 1.00 0.00 C ATOM 1200 CG2 ILE A 81 2.765 7.679 4.543 1.00 0.00 C ATOM 1201 CD1 ILE A 81 0.414 5.492 4.298 1.00 0.00 C ATOM 0 H ILE A 81 2.520 7.001 1.092 1.00 0.00 H new ATOM 0 HA ILE A 81 4.731 6.751 3.027 1.00 0.00 H new ATOM 0 HB ILE A 81 3.035 5.564 4.495 1.00 0.00 H new ATOM 0 HG12 ILE A 81 0.930 6.964 2.844 1.00 0.00 H new ATOM 0 HG13 ILE A 81 1.440 5.338 2.435 1.00 0.00 H new ATOM 0 HG21 ILE A 81 2.036 7.646 5.353 1.00 0.00 H new ATOM 0 HG22 ILE A 81 3.758 7.858 4.956 1.00 0.00 H new ATOM 0 HG23 ILE A 81 2.507 8.485 3.856 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -0.558 5.301 3.844 1.00 0.00 H new ATOM 0 HD12 ILE A 81 0.819 4.561 4.694 1.00 0.00 H new ATOM 0 HD13 ILE A 81 0.301 6.212 5.109 1.00 0.00 H new ATOM 1213 N SER A 82 4.535 4.093 2.951 1.00 0.00 N ATOM 1214 CA SER A 82 4.772 2.707 2.567 1.00 0.00 C ATOM 1215 C SER A 82 4.424 1.759 3.711 1.00 0.00 C ATOM 1216 O SER A 82 5.024 1.816 4.784 1.00 0.00 O ATOM 1217 CB SER A 82 6.233 2.513 2.156 1.00 0.00 C ATOM 1218 OG SER A 82 7.112 2.917 3.191 1.00 0.00 O ATOM 0 H SER A 82 4.839 4.326 3.896 1.00 0.00 H new ATOM 0 HA SER A 82 4.129 2.476 1.718 1.00 0.00 H new ATOM 0 HB2 SER A 82 6.410 1.465 1.913 1.00 0.00 H new ATOM 0 HB3 SER A 82 6.440 3.089 1.254 1.00 0.00 H new ATOM 0 HG SER A 82 7.006 3.878 3.354 1.00 0.00 H new ATOM 1224 N ILE A 83 3.449 0.888 3.472 1.00 0.00 N ATOM 1225 CA ILE A 83 3.020 -0.073 4.480 1.00 0.00 C ATOM 1226 C ILE A 83 3.629 -1.448 4.224 1.00 0.00 C ATOM 1227 O ILE A 83 3.277 -2.123 3.257 1.00 0.00 O ATOM 1228 CB ILE A 83 1.486 -0.203 4.519 1.00 0.00 C ATOM 1229 CG1 ILE A 83 0.836 1.182 4.548 1.00 0.00 C ATOM 1230 CG2 ILE A 83 1.054 -1.023 5.725 1.00 0.00 C ATOM 1231 CD1 ILE A 83 -0.604 1.184 4.086 1.00 0.00 C ATOM 0 H ILE A 83 2.942 0.828 2.589 1.00 0.00 H new ATOM 0 HA ILE A 83 3.369 0.303 5.442 1.00 0.00 H new ATOM 0 HB ILE A 83 1.157 -0.719 3.617 1.00 0.00 H new ATOM 0 HG12 ILE A 83 0.884 1.576 5.563 1.00 0.00 H new ATOM 0 HG13 ILE A 83 1.412 1.858 3.917 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -0.033 -1.106 5.738 1.00 0.00 H new ATOM 0 HG22 ILE A 83 1.493 -2.019 5.664 1.00 0.00 H new ATOM 0 HG23 ILE A 83 1.392 -0.533 6.638 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -1.000 2.199 4.133 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -0.657 0.821 3.060 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -1.194 0.534 4.732 1.00 0.00 H new ATOM 1243 N SER A 84 4.544 -1.856 5.097 1.00 0.00 N ATOM 1244 CA SER A 84 5.204 -3.150 4.964 1.00 0.00 C ATOM 1245 C SER A 84 4.373 -4.253 5.613 1.00 0.00 C ATOM 1246 O SER A 84 3.626 -4.006 6.559 1.00 0.00 O ATOM 1247 CB SER A 84 6.596 -3.104 5.597 1.00 0.00 C ATOM 1248 OG SER A 84 7.221 -4.375 5.549 1.00 0.00 O ATOM 0 H SER A 84 4.845 -1.310 5.904 1.00 0.00 H new ATOM 0 HA SER A 84 5.304 -3.372 3.901 1.00 0.00 H new ATOM 0 HB2 SER A 84 7.212 -2.372 5.075 1.00 0.00 H new ATOM 0 HB3 SER A 84 6.517 -2.773 6.633 1.00 0.00 H new ATOM 0 HG SER A 84 8.110 -4.318 5.958 1.00 0.00 H new ATOM 1254 N ASN A 85 4.511 -5.470 5.097 1.00 0.00 N ATOM 1255 CA ASN A 85 3.773 -6.611 5.626 1.00 0.00 C ATOM 1256 C ASN A 85 2.300 -6.536 5.235 1.00 0.00 C ATOM 1257 O ASN A 85 1.415 -6.739 6.067 1.00 0.00 O ATOM 1258 CB ASN A 85 3.905 -6.670 7.149 1.00 0.00 C ATOM 1259 CG ASN A 85 3.635 -8.057 7.700 1.00 0.00 C ATOM 1260 OD1 ASN A 85 4.545 -8.877 7.821 1.00 0.00 O ATOM 1261 ND2 ASN A 85 2.379 -8.325 8.037 1.00 0.00 N ATOM 0 H ASN A 85 5.126 -5.691 4.314 1.00 0.00 H new ATOM 0 HA ASN A 85 4.199 -7.517 5.196 1.00 0.00 H new ATOM 0 HB2 ASN A 85 4.909 -6.357 7.436 1.00 0.00 H new ATOM 0 HB3 ASN A 85 3.209 -5.962 7.599 1.00 0.00 H new ATOM 0 HD21 ASN A 85 2.136 -9.241 8.413 1.00 0.00 H new ATOM 0 HD22 ASN A 85 1.657 -7.614 7.919 1.00 0.00 H new ATOM 1268 N ILE A 86 2.045 -6.243 3.964 1.00 0.00 N ATOM 1269 CA ILE A 86 0.681 -6.142 3.463 1.00 0.00 C ATOM 1270 C ILE A 86 -0.086 -7.441 3.690 1.00 0.00 C ATOM 1271 O ILE A 86 0.491 -8.528 3.664 1.00 0.00 O ATOM 1272 CB ILE A 86 0.656 -5.801 1.961 1.00 0.00 C ATOM 1273 CG1 ILE A 86 1.025 -4.331 1.744 1.00 0.00 C ATOM 1274 CG2 ILE A 86 -0.714 -6.102 1.372 1.00 0.00 C ATOM 1275 CD1 ILE A 86 -0.028 -3.365 2.239 1.00 0.00 C ATOM 0 H ILE A 86 2.766 -6.072 3.263 1.00 0.00 H new ATOM 0 HA ILE A 86 0.200 -5.337 4.018 1.00 0.00 H new ATOM 0 HB ILE A 86 1.393 -6.421 1.450 1.00 0.00 H new ATOM 0 HG12 ILE A 86 1.966 -4.122 2.253 1.00 0.00 H new ATOM 0 HG13 ILE A 86 1.193 -4.160 0.681 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -0.716 -5.856 0.310 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -0.940 -7.161 1.499 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -1.469 -5.506 1.884 1.00 0.00 H new ATOM 0 HD11 ILE A 86 0.300 -2.342 2.053 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -0.965 -3.547 1.713 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.179 -3.508 3.309 1.00 0.00 H new ATOM 1287 N THR A 87 -1.391 -7.320 3.911 1.00 0.00 N ATOM 1288 CA THR A 87 -2.238 -8.484 4.142 1.00 0.00 C ATOM 1289 C THR A 87 -3.460 -8.464 3.231 1.00 0.00 C ATOM 1290 O THR A 87 -3.935 -7.408 2.812 1.00 0.00 O ATOM 1291 CB THR A 87 -2.705 -8.556 5.608 1.00 0.00 C ATOM 1292 OG1 THR A 87 -3.245 -7.294 6.013 1.00 0.00 O ATOM 1293 CG2 THR A 87 -1.553 -8.938 6.525 1.00 0.00 C ATOM 0 H THR A 87 -1.885 -6.428 3.935 1.00 0.00 H new ATOM 0 HA THR A 87 -1.635 -9.364 3.917 1.00 0.00 H new ATOM 0 HB THR A 87 -3.477 -9.322 5.683 1.00 0.00 H new ATOM 0 HG1 THR A 87 -2.594 -6.825 6.575 1.00 0.00 H new ATOM 0 HG21 THR A 87 -1.907 -8.982 7.555 1.00 0.00 H new ATOM 0 HG22 THR A 87 -1.163 -9.913 6.233 1.00 0.00 H new ATOM 0 HG23 THR A 87 -0.762 -8.192 6.445 1.00 0.00 H new ATOM 1301 N PRO A 88 -3.983 -9.658 2.916 1.00 0.00 N ATOM 1302 CA PRO A 88 -5.158 -9.804 2.052 1.00 0.00 C ATOM 1303 C PRO A 88 -6.436 -9.312 2.723 1.00 0.00 C ATOM 1304 O PRO A 88 -7.512 -9.341 2.127 1.00 0.00 O ATOM 1305 CB PRO A 88 -5.232 -11.313 1.805 1.00 0.00 C ATOM 1306 CG PRO A 88 -4.550 -11.923 2.981 1.00 0.00 C ATOM 1307 CD PRO A 88 -3.468 -10.958 3.379 1.00 0.00 C ATOM 0 HA PRO A 88 -5.069 -9.213 1.141 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -6.265 -11.651 1.727 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -4.736 -11.587 0.874 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -5.252 -12.082 3.800 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -4.131 -12.897 2.727 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -3.301 -10.963 4.456 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -2.517 -11.204 2.908 1.00 0.00 H new ATOM 1315 N ALA A 89 -6.309 -8.859 3.966 1.00 0.00 N ATOM 1316 CA ALA A 89 -7.454 -8.358 4.717 1.00 0.00 C ATOM 1317 C ALA A 89 -7.370 -6.846 4.901 1.00 0.00 C ATOM 1318 O ALA A 89 -8.296 -6.222 5.419 1.00 0.00 O ATOM 1319 CB ALA A 89 -7.544 -9.052 6.068 1.00 0.00 C ATOM 0 H ALA A 89 -5.425 -8.829 4.474 1.00 0.00 H new ATOM 0 HA ALA A 89 -8.356 -8.579 4.147 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -8.403 -8.668 6.618 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -7.659 -10.126 5.919 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -6.634 -8.860 6.637 1.00 0.00 H new ATOM 1325 N ASP A 90 -6.255 -6.264 4.475 1.00 0.00 N ATOM 1326 CA ASP A 90 -6.051 -4.825 4.592 1.00 0.00 C ATOM 1327 C ASP A 90 -6.352 -4.123 3.272 1.00 0.00 C ATOM 1328 O ASP A 90 -6.551 -2.910 3.234 1.00 0.00 O ATOM 1329 CB ASP A 90 -4.615 -4.526 5.026 1.00 0.00 C ATOM 1330 CG ASP A 90 -4.462 -4.488 6.534 1.00 0.00 C ATOM 1331 OD1 ASP A 90 -5.432 -4.102 7.219 1.00 0.00 O ATOM 1332 OD2 ASP A 90 -3.372 -4.843 7.030 1.00 0.00 O ATOM 0 H ASP A 90 -5.478 -6.766 4.045 1.00 0.00 H new ATOM 0 HA ASP A 90 -6.738 -4.447 5.349 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -3.949 -5.285 4.615 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -4.304 -3.569 4.608 1.00 0.00 H new ATOM 1337 N ALA A 91 -6.384 -4.896 2.191 1.00 0.00 N ATOM 1338 CA ALA A 91 -6.662 -4.349 0.869 1.00 0.00 C ATOM 1339 C ALA A 91 -7.949 -3.531 0.873 1.00 0.00 C ATOM 1340 O ALA A 91 -8.620 -3.416 1.898 1.00 0.00 O ATOM 1341 CB ALA A 91 -6.750 -5.469 -0.158 1.00 0.00 C ATOM 0 H ALA A 91 -6.221 -5.903 2.205 1.00 0.00 H new ATOM 0 HA ALA A 91 -5.841 -3.685 0.598 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -6.958 -5.046 -1.141 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -5.804 -6.010 -0.189 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -7.551 -6.154 0.119 1.00 0.00 H new ATOM 1347 N GLY A 92 -8.287 -2.962 -0.281 1.00 0.00 N ATOM 1348 CA GLY A 92 -9.493 -2.161 -0.387 1.00 0.00 C ATOM 1349 C GLY A 92 -9.256 -0.851 -1.113 1.00 0.00 C ATOM 1350 O GLY A 92 -8.850 -0.841 -2.276 1.00 0.00 O ATOM 0 H GLY A 92 -7.748 -3.041 -1.143 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -10.259 -2.731 -0.913 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -9.878 -1.955 0.612 1.00 0.00 H new ATOM 1354 N THR A 93 -9.510 0.258 -0.426 1.00 0.00 N ATOM 1355 CA THR A 93 -9.325 1.579 -1.013 1.00 0.00 C ATOM 1356 C THR A 93 -8.833 2.579 0.028 1.00 0.00 C ATOM 1357 O THR A 93 -9.579 2.975 0.924 1.00 0.00 O ATOM 1358 CB THR A 93 -10.632 2.106 -1.636 1.00 0.00 C ATOM 1359 OG1 THR A 93 -11.109 1.186 -2.624 1.00 0.00 O ATOM 1360 CG2 THR A 93 -10.417 3.472 -2.269 1.00 0.00 C ATOM 0 H THR A 93 -9.844 0.268 0.538 1.00 0.00 H new ATOM 0 HA THR A 93 -8.574 1.474 -1.796 1.00 0.00 H new ATOM 0 HB THR A 93 -11.374 2.204 -0.843 1.00 0.00 H new ATOM 0 HG1 THR A 93 -11.941 1.527 -3.014 1.00 0.00 H new ATOM 0 HG21 THR A 93 -11.353 3.824 -2.702 1.00 0.00 H new ATOM 0 HG22 THR A 93 -10.082 4.177 -1.508 1.00 0.00 H new ATOM 0 HG23 THR A 93 -9.661 3.396 -3.051 1.00 0.00 H new ATOM 1368 N TYR A 94 -7.574 2.984 -0.097 1.00 0.00 N ATOM 1369 CA TYR A 94 -6.982 3.937 0.835 1.00 0.00 C ATOM 1370 C TYR A 94 -7.193 5.370 0.356 1.00 0.00 C ATOM 1371 O TYR A 94 -6.604 5.798 -0.637 1.00 0.00 O ATOM 1372 CB TYR A 94 -5.487 3.658 1.001 1.00 0.00 C ATOM 1373 CG TYR A 94 -5.188 2.309 1.615 1.00 0.00 C ATOM 1374 CD1 TYR A 94 -5.474 1.134 0.932 1.00 0.00 C ATOM 1375 CD2 TYR A 94 -4.619 2.210 2.879 1.00 0.00 C ATOM 1376 CE1 TYR A 94 -5.203 -0.101 1.490 1.00 0.00 C ATOM 1377 CE2 TYR A 94 -4.343 0.980 3.444 1.00 0.00 C ATOM 1378 CZ TYR A 94 -4.637 -0.172 2.745 1.00 0.00 C ATOM 1379 OH TYR A 94 -4.365 -1.400 3.305 1.00 0.00 O ATOM 0 H TYR A 94 -6.944 2.668 -0.834 1.00 0.00 H new ATOM 0 HA TYR A 94 -7.476 3.819 1.799 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -5.004 3.719 0.026 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -5.047 4.437 1.624 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -5.916 1.186 -0.052 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -4.389 3.110 3.429 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -5.433 -1.005 0.946 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -3.900 0.921 4.427 1.00 0.00 H new ATOM 0 HH TYR A 94 -5.134 -1.994 3.180 1.00 0.00 H new ATOM 1389 N TYR A 95 -8.037 6.107 1.069 1.00 0.00 N ATOM 1390 CA TYR A 95 -8.329 7.491 0.718 1.00 0.00 C ATOM 1391 C TYR A 95 -7.475 8.453 1.539 1.00 0.00 C ATOM 1392 O TYR A 95 -7.560 8.485 2.767 1.00 0.00 O ATOM 1393 CB TYR A 95 -9.812 7.794 0.937 1.00 0.00 C ATOM 1394 CG TYR A 95 -10.737 6.869 0.180 1.00 0.00 C ATOM 1395 CD1 TYR A 95 -11.141 5.657 0.726 1.00 0.00 C ATOM 1396 CD2 TYR A 95 -11.209 7.207 -1.082 1.00 0.00 C ATOM 1397 CE1 TYR A 95 -11.985 4.808 0.037 1.00 0.00 C ATOM 1398 CE2 TYR A 95 -12.056 6.365 -1.778 1.00 0.00 C ATOM 1399 CZ TYR A 95 -12.440 5.167 -1.214 1.00 0.00 C ATOM 1400 OH TYR A 95 -13.283 4.325 -1.903 1.00 0.00 O ATOM 0 H TYR A 95 -8.531 5.768 1.894 1.00 0.00 H new ATOM 0 HA TYR A 95 -8.089 7.630 -0.336 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -10.035 7.725 2.002 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -10.013 8.822 0.635 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -10.789 5.374 1.707 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -10.909 8.144 -1.527 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -12.287 3.868 0.476 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -12.415 6.644 -2.758 1.00 0.00 H new ATOM 0 HH TYR A 95 -13.511 4.726 -2.767 1.00 0.00 H new ATOM 1410 N CYS A 96 -6.652 9.237 0.851 1.00 0.00 N ATOM 1411 CA CYS A 96 -5.782 10.201 1.513 1.00 0.00 C ATOM 1412 C CYS A 96 -6.566 11.439 1.940 1.00 0.00 C ATOM 1413 O CYS A 96 -6.807 12.341 1.138 1.00 0.00 O ATOM 1414 CB CYS A 96 -4.634 10.606 0.585 1.00 0.00 C ATOM 1415 SG CYS A 96 -3.141 11.181 1.456 1.00 0.00 S ATOM 0 H CYS A 96 -6.569 9.223 -0.166 1.00 0.00 H new ATOM 0 HA CYS A 96 -5.370 9.728 2.404 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -4.370 9.754 -0.042 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -4.981 11.397 -0.080 1.00 0.00 H new ATOM 1420 N VAL A 97 -6.962 11.473 3.208 1.00 0.00 N ATOM 1421 CA VAL A 97 -7.717 12.600 3.743 1.00 0.00 C ATOM 1422 C VAL A 97 -6.788 13.720 4.194 1.00 0.00 C ATOM 1423 O VAL A 97 -5.892 13.508 5.012 1.00 0.00 O ATOM 1424 CB VAL A 97 -8.600 12.171 4.930 1.00 0.00 C ATOM 1425 CG1 VAL A 97 -9.356 13.365 5.493 1.00 0.00 C ATOM 1426 CG2 VAL A 97 -9.563 11.072 4.507 1.00 0.00 C ATOM 0 H VAL A 97 -6.773 10.733 3.884 1.00 0.00 H new ATOM 0 HA VAL A 97 -8.355 12.964 2.938 1.00 0.00 H new ATOM 0 HB VAL A 97 -7.956 11.776 5.715 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -9.974 13.042 6.331 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -8.645 14.117 5.835 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -9.991 13.792 4.717 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -10.179 10.781 5.358 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -10.203 11.438 3.704 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -8.998 10.209 4.156 1.00 0.00 H new ATOM 1436 N LYS A 98 -7.007 14.916 3.657 1.00 0.00 N ATOM 1437 CA LYS A 98 -6.190 16.073 4.005 1.00 0.00 C ATOM 1438 C LYS A 98 -6.858 16.900 5.099 1.00 0.00 C ATOM 1439 O LYS A 98 -7.550 17.879 4.816 1.00 0.00 O ATOM 1440 CB LYS A 98 -5.948 16.942 2.770 1.00 0.00 C ATOM 1441 CG LYS A 98 -5.253 18.257 3.078 1.00 0.00 C ATOM 1442 CD LYS A 98 -3.852 18.033 3.621 1.00 0.00 C ATOM 1443 CE LYS A 98 -3.288 19.300 4.247 1.00 0.00 C ATOM 1444 NZ LYS A 98 -1.803 19.354 4.148 1.00 0.00 N ATOM 0 H LYS A 98 -7.744 15.109 2.979 1.00 0.00 H new ATOM 0 HA LYS A 98 -5.233 15.712 4.380 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -5.346 16.382 2.054 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -6.904 17.150 2.289 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -5.201 18.863 2.173 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -5.840 18.819 3.804 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -3.872 17.236 4.364 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -3.197 17.701 2.815 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -3.717 20.171 3.752 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -3.584 19.350 5.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -1.389 19.299 5.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -1.464 18.554 3.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -1.517 20.247 3.698 1.00 0.00 H new ATOM 1458 N PHE A 99 -6.644 16.503 6.349 1.00 0.00 N ATOM 1459 CA PHE A 99 -7.225 17.208 7.486 1.00 0.00 C ATOM 1460 C PHE A 99 -6.649 18.616 7.604 1.00 0.00 C ATOM 1461 O PHE A 99 -5.438 18.814 7.497 1.00 0.00 O ATOM 1462 CB PHE A 99 -6.972 16.431 8.779 1.00 0.00 C ATOM 1463 CG PHE A 99 -8.083 15.487 9.138 1.00 0.00 C ATOM 1464 CD1 PHE A 99 -8.201 14.261 8.503 1.00 0.00 C ATOM 1465 CD2 PHE A 99 -9.010 15.824 10.111 1.00 0.00 C ATOM 1466 CE1 PHE A 99 -9.222 13.389 8.831 1.00 0.00 C ATOM 1467 CE2 PHE A 99 -10.033 14.957 10.444 1.00 0.00 C ATOM 1468 CZ PHE A 99 -10.140 13.738 9.802 1.00 0.00 C ATOM 0 H PHE A 99 -6.072 15.697 6.600 1.00 0.00 H new ATOM 0 HA PHE A 99 -8.300 17.286 7.323 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -6.045 15.867 8.679 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -6.828 17.138 9.596 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -7.486 13.983 7.742 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -8.932 16.776 10.615 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -9.302 12.436 8.329 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -10.748 15.232 11.205 1.00 0.00 H new ATOM 0 HZ PHE A 99 -10.940 13.060 10.059 1.00 0.00 H new ATOM 1478 N ARG A 100 -7.525 19.591 7.823 1.00 0.00 N ATOM 1479 CA ARG A 100 -7.104 20.981 7.954 1.00 0.00 C ATOM 1480 C ARG A 100 -6.885 21.347 9.419 1.00 0.00 C ATOM 1481 O ARG A 100 -7.708 21.033 10.279 1.00 0.00 O ATOM 1482 CB ARG A 100 -8.149 21.912 7.336 1.00 0.00 C ATOM 1483 CG ARG A 100 -9.318 22.215 8.259 1.00 0.00 C ATOM 1484 CD ARG A 100 -10.494 22.802 7.494 1.00 0.00 C ATOM 1485 NE ARG A 100 -11.542 23.284 8.389 1.00 0.00 N ATOM 1486 CZ ARG A 100 -12.472 24.162 8.026 1.00 0.00 C ATOM 1487 NH1 ARG A 100 -12.482 24.649 6.793 1.00 0.00 N ATOM 1488 NH2 ARG A 100 -13.393 24.552 8.897 1.00 0.00 N ATOM 0 H ARG A 100 -8.530 19.444 7.913 1.00 0.00 H new ATOM 0 HA ARG A 100 -6.160 21.100 7.422 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -7.667 22.848 7.054 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -8.529 21.460 6.419 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -9.631 21.301 8.764 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -9.000 22.914 9.033 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -10.146 23.623 6.868 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -10.907 22.045 6.827 1.00 0.00 H new ATOM 0 HE ARG A 100 -11.562 22.928 9.345 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -11.775 24.350 6.121 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -13.196 25.323 6.516 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -13.388 24.178 9.846 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -14.106 25.226 8.618 1.00 0.00 H new ATOM 1502 N LYS A 101 -5.769 22.012 9.696 1.00 0.00 N ATOM 1503 CA LYS A 101 -5.440 22.422 11.056 1.00 0.00 C ATOM 1504 C LYS A 101 -6.651 23.043 11.746 1.00 0.00 C ATOM 1505 O LYS A 101 -7.146 24.089 11.329 1.00 0.00 O ATOM 1506 CB LYS A 101 -4.280 23.421 11.043 1.00 0.00 C ATOM 1507 CG LYS A 101 -3.406 23.354 12.283 1.00 0.00 C ATOM 1508 CD LYS A 101 -2.364 24.460 12.292 1.00 0.00 C ATOM 1509 CE LYS A 101 -2.987 25.810 12.615 1.00 0.00 C ATOM 1510 NZ LYS A 101 -2.093 26.938 12.235 1.00 0.00 N ATOM 0 H LYS A 101 -5.076 22.279 8.996 1.00 0.00 H new ATOM 0 HA LYS A 101 -5.142 21.534 11.614 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -3.663 23.237 10.163 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -4.681 24.430 10.946 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -4.030 23.433 13.173 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -2.909 22.385 12.327 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -1.593 24.229 13.027 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -1.874 24.508 11.320 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -3.937 25.907 12.090 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -3.206 25.863 13.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -2.553 27.840 12.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -1.196 26.860 12.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -1.905 26.902 11.213 1.00 0.00 H new ATOM 1524 N GLY A 102 -7.122 22.390 12.804 1.00 0.00 N ATOM 1525 CA GLY A 102 -8.271 22.894 13.535 1.00 0.00 C ATOM 1526 C GLY A 102 -8.081 22.818 15.037 1.00 0.00 C ATOM 1527 O GLY A 102 -6.961 22.657 15.520 1.00 0.00 O ATOM 0 H GLY A 102 -6.729 21.522 13.168 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -8.456 23.929 13.247 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -9.156 22.322 13.254 1.00 0.00 H new ATOM 1531 N SER A 103 -9.179 22.935 15.777 1.00 0.00 N ATOM 1532 CA SER A 103 -9.128 22.884 17.233 1.00 0.00 C ATOM 1533 C SER A 103 -10.457 22.404 17.807 1.00 0.00 C ATOM 1534 O SER A 103 -11.533 22.718 17.296 1.00 0.00 O ATOM 1535 CB SER A 103 -8.782 24.262 17.801 1.00 0.00 C ATOM 1536 OG SER A 103 -9.364 24.448 19.079 1.00 0.00 O ATOM 0 H SER A 103 -10.114 23.066 15.392 1.00 0.00 H new ATOM 0 HA SER A 103 -8.351 22.175 17.520 1.00 0.00 H new ATOM 0 HB2 SER A 103 -7.700 24.368 17.872 1.00 0.00 H new ATOM 0 HB3 SER A 103 -9.134 25.038 17.121 1.00 0.00 H new ATOM 0 HG SER A 103 -9.127 25.335 19.421 1.00 0.00 H new ATOM 1542 N PRO A 104 -10.384 21.624 18.895 1.00 0.00 N ATOM 1543 CA PRO A 104 -9.110 21.243 19.512 1.00 0.00 C ATOM 1544 C PRO A 104 -8.312 20.276 18.644 1.00 0.00 C ATOM 1545 O PRO A 104 -7.226 19.837 19.023 1.00 0.00 O ATOM 1546 CB PRO A 104 -9.535 20.565 20.816 1.00 0.00 C ATOM 1547 CG PRO A 104 -10.912 20.063 20.550 1.00 0.00 C ATOM 1548 CD PRO A 104 -11.539 21.052 19.608 1.00 0.00 C ATOM 0 HA PRO A 104 -8.455 22.102 19.657 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -8.860 19.750 21.077 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -9.524 21.267 21.649 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -10.886 19.067 20.109 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -11.485 19.987 21.474 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -12.235 20.568 18.923 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -12.100 21.818 20.144 1.00 0.00 H new ATOM 1556 N ASP A 105 -8.857 19.947 17.478 1.00 0.00 N ATOM 1557 CA ASP A 105 -8.195 19.032 16.555 1.00 0.00 C ATOM 1558 C ASP A 105 -8.462 19.433 15.107 1.00 0.00 C ATOM 1559 O ASP A 105 -9.249 20.341 14.840 1.00 0.00 O ATOM 1560 CB ASP A 105 -8.670 17.599 16.796 1.00 0.00 C ATOM 1561 CG ASP A 105 -10.065 17.352 16.257 1.00 0.00 C ATOM 1562 OD1 ASP A 105 -11.027 17.915 16.821 1.00 0.00 O ATOM 1563 OD2 ASP A 105 -10.194 16.597 15.271 1.00 0.00 O ATOM 0 H ASP A 105 -9.756 20.300 17.149 1.00 0.00 H new ATOM 0 HA ASP A 105 -7.121 19.086 16.736 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -7.974 16.905 16.325 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -8.655 17.390 17.866 1.00 0.00 H new ATOM 1568 N ASP A 106 -7.802 18.751 14.179 1.00 0.00 N ATOM 1569 CA ASP A 106 -7.968 19.035 12.758 1.00 0.00 C ATOM 1570 C ASP A 106 -9.399 18.751 12.311 1.00 0.00 C ATOM 1571 O ASP A 106 -10.203 18.214 13.072 1.00 0.00 O ATOM 1572 CB ASP A 106 -6.987 18.202 11.931 1.00 0.00 C ATOM 1573 CG ASP A 106 -5.591 18.197 12.522 1.00 0.00 C ATOM 1574 OD1 ASP A 106 -4.988 19.285 12.626 1.00 0.00 O ATOM 1575 OD2 ASP A 106 -5.102 17.104 12.879 1.00 0.00 O ATOM 0 H ASP A 106 -7.146 17.997 14.384 1.00 0.00 H new ATOM 0 HA ASP A 106 -7.759 20.093 12.597 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -7.353 17.178 11.862 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -6.947 18.595 10.915 1.00 0.00 H new ATOM 1580 N VAL A 107 -9.710 19.117 11.071 1.00 0.00 N ATOM 1581 CA VAL A 107 -11.043 18.902 10.522 1.00 0.00 C ATOM 1582 C VAL A 107 -10.973 18.473 9.061 1.00 0.00 C ATOM 1583 O VAL A 107 -10.228 19.050 8.270 1.00 0.00 O ATOM 1584 CB VAL A 107 -11.907 20.173 10.632 1.00 0.00 C ATOM 1585 CG1 VAL A 107 -13.196 20.012 9.840 1.00 0.00 C ATOM 1586 CG2 VAL A 107 -12.202 20.492 12.089 1.00 0.00 C ATOM 0 H VAL A 107 -9.056 19.564 10.428 1.00 0.00 H new ATOM 0 HA VAL A 107 -11.503 18.107 11.109 1.00 0.00 H new ATOM 0 HB VAL A 107 -11.350 21.008 10.207 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -13.794 20.919 9.929 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -12.959 19.835 8.791 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -13.760 19.166 10.232 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -12.813 21.393 12.148 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -12.739 19.659 12.542 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -11.266 20.654 12.623 1.00 0.00 H new ATOM 1596 N GLU A 108 -11.755 17.457 8.710 1.00 0.00 N ATOM 1597 CA GLU A 108 -11.781 16.950 7.343 1.00 0.00 C ATOM 1598 C GLU A 108 -12.018 18.083 6.348 1.00 0.00 C ATOM 1599 O GLU A 108 -13.005 18.812 6.443 1.00 0.00 O ATOM 1600 CB GLU A 108 -12.870 15.886 7.190 1.00 0.00 C ATOM 1601 CG GLU A 108 -12.776 15.101 5.893 1.00 0.00 C ATOM 1602 CD GLU A 108 -13.572 15.733 4.769 1.00 0.00 C ATOM 1603 OE1 GLU A 108 -13.636 16.979 4.714 1.00 0.00 O ATOM 1604 OE2 GLU A 108 -14.132 14.981 3.943 1.00 0.00 O ATOM 0 H GLU A 108 -12.379 16.969 9.353 1.00 0.00 H new ATOM 0 HA GLU A 108 -10.811 16.499 7.131 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -12.810 15.193 8.029 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -13.846 16.367 7.244 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -11.731 15.024 5.594 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -13.135 14.085 6.061 1.00 0.00 H new ATOM 1611 N PHE A 109 -11.105 18.223 5.393 1.00 0.00 N ATOM 1612 CA PHE A 109 -11.212 19.267 4.380 1.00 0.00 C ATOM 1613 C PHE A 109 -11.266 18.663 2.980 1.00 0.00 C ATOM 1614 O PHE A 109 -12.217 18.887 2.230 1.00 0.00 O ATOM 1615 CB PHE A 109 -10.030 20.234 4.486 1.00 0.00 C ATOM 1616 CG PHE A 109 -9.960 21.220 3.355 1.00 0.00 C ATOM 1617 CD1 PHE A 109 -10.777 22.340 3.344 1.00 0.00 C ATOM 1618 CD2 PHE A 109 -9.077 21.029 2.305 1.00 0.00 C ATOM 1619 CE1 PHE A 109 -10.714 23.249 2.305 1.00 0.00 C ATOM 1620 CE2 PHE A 109 -9.010 21.935 1.263 1.00 0.00 C ATOM 1621 CZ PHE A 109 -9.829 23.047 1.264 1.00 0.00 C ATOM 0 H PHE A 109 -10.283 17.627 5.299 1.00 0.00 H new ATOM 0 HA PHE A 109 -12.137 19.815 4.556 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -10.099 20.778 5.428 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -9.103 19.661 4.516 1.00 0.00 H new ATOM 0 HD1 PHE A 109 -11.470 22.504 4.156 1.00 0.00 H new ATOM 0 HD2 PHE A 109 -8.433 20.162 2.300 1.00 0.00 H new ATOM 0 HE1 PHE A 109 -11.357 24.117 2.307 1.00 0.00 H new ATOM 0 HE2 PHE A 109 -8.318 21.773 0.449 1.00 0.00 H new ATOM 0 HZ PHE A 109 -9.778 23.757 0.452 1.00 0.00 H new ATOM 1631 N LYS A 110 -10.238 17.896 2.633 1.00 0.00 N ATOM 1632 CA LYS A 110 -10.167 17.258 1.324 1.00 0.00 C ATOM 1633 C LYS A 110 -10.136 15.739 1.460 1.00 0.00 C ATOM 1634 O LYS A 110 -9.910 15.208 2.548 1.00 0.00 O ATOM 1635 CB LYS A 110 -8.927 17.738 0.567 1.00 0.00 C ATOM 1636 CG LYS A 110 -9.139 17.862 -0.932 1.00 0.00 C ATOM 1637 CD LYS A 110 -9.610 19.254 -1.316 1.00 0.00 C ATOM 1638 CE LYS A 110 -10.972 19.567 -0.716 1.00 0.00 C ATOM 1639 NZ LYS A 110 -11.641 20.697 -1.418 1.00 0.00 N ATOM 0 H LYS A 110 -9.442 17.701 3.241 1.00 0.00 H new ATOM 0 HA LYS A 110 -11.059 17.537 0.763 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -8.622 18.706 0.964 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -8.107 17.045 0.753 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -8.208 17.636 -1.452 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -9.873 17.126 -1.258 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -8.883 19.992 -0.976 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -9.662 19.335 -2.402 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -11.605 18.681 -0.769 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -10.856 19.813 0.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -12.566 20.879 -0.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -11.050 21.549 -1.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -11.775 20.453 -2.420 1.00 0.00 H new ATOM 1653 N SER A 111 -10.362 15.045 0.349 1.00 0.00 N ATOM 1654 CA SER A 111 -10.362 13.587 0.345 1.00 0.00 C ATOM 1655 C SER A 111 -9.817 13.047 -0.973 1.00 0.00 C ATOM 1656 O SER A 111 -10.396 13.272 -2.036 1.00 0.00 O ATOM 1657 CB SER A 111 -11.777 13.055 0.582 1.00 0.00 C ATOM 1658 OG SER A 111 -11.806 11.640 0.526 1.00 0.00 O ATOM 0 H SER A 111 -10.547 15.469 -0.560 1.00 0.00 H new ATOM 0 HA SER A 111 -9.714 13.246 1.152 1.00 0.00 H new ATOM 0 HB2 SER A 111 -12.137 13.391 1.554 1.00 0.00 H new ATOM 0 HB3 SER A 111 -12.453 13.466 -0.168 1.00 0.00 H new ATOM 0 HG SER A 111 -12.721 11.325 0.682 1.00 0.00 H new ATOM 1664 N GLY A 112 -8.699 12.333 -0.896 1.00 0.00 N ATOM 1665 CA GLY A 112 -8.093 11.772 -2.090 1.00 0.00 C ATOM 1666 C GLY A 112 -9.017 10.811 -2.812 1.00 0.00 C ATOM 1667 O GLY A 112 -9.728 10.031 -2.180 1.00 0.00 O ATOM 0 H GLY A 112 -8.202 12.133 -0.028 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -7.814 12.580 -2.766 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -7.174 11.253 -1.818 1.00 0.00 H new ATOM 1671 N ALA A 113 -9.008 10.868 -4.139 1.00 0.00 N ATOM 1672 CA ALA A 113 -9.851 9.996 -4.948 1.00 0.00 C ATOM 1673 C ALA A 113 -9.996 8.622 -4.304 1.00 0.00 C ATOM 1674 O ALA A 113 -11.093 8.070 -4.236 1.00 0.00 O ATOM 1675 CB ALA A 113 -9.281 9.866 -6.353 1.00 0.00 C ATOM 0 H ALA A 113 -8.426 11.509 -4.678 1.00 0.00 H new ATOM 0 HA ALA A 113 -10.842 10.445 -5.011 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -9.920 9.212 -6.946 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -9.236 10.850 -6.820 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -8.278 9.443 -6.301 1.00 0.00 H new ATOM 1681 N GLY A 114 -8.880 8.074 -3.832 1.00 0.00 N ATOM 1682 CA GLY A 114 -8.905 6.767 -3.200 1.00 0.00 C ATOM 1683 C GLY A 114 -8.064 5.748 -3.943 1.00 0.00 C ATOM 1684 O GLY A 114 -8.443 5.284 -5.018 1.00 0.00 O ATOM 0 H GLY A 114 -7.960 8.511 -3.876 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -8.543 6.855 -2.176 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -9.934 6.413 -3.145 1.00 0.00 H new ATOM 1688 N THR A 115 -6.916 5.399 -3.369 1.00 0.00 N ATOM 1689 CA THR A 115 -6.018 4.431 -3.984 1.00 0.00 C ATOM 1690 C THR A 115 -6.437 3.003 -3.652 1.00 0.00 C ATOM 1691 O THR A 115 -6.366 2.579 -2.500 1.00 0.00 O ATOM 1692 CB THR A 115 -4.562 4.646 -3.528 1.00 0.00 C ATOM 1693 OG1 THR A 115 -4.103 5.936 -3.947 1.00 0.00 O ATOM 1694 CG2 THR A 115 -3.652 3.568 -4.097 1.00 0.00 C ATOM 0 H THR A 115 -6.587 5.773 -2.479 1.00 0.00 H new ATOM 0 HA THR A 115 -6.080 4.583 -5.062 1.00 0.00 H new ATOM 0 HB THR A 115 -4.532 4.586 -2.440 1.00 0.00 H new ATOM 0 HG1 THR A 115 -3.178 6.066 -3.652 1.00 0.00 H new ATOM 0 HG21 THR A 115 -2.629 3.741 -3.761 1.00 0.00 H new ATOM 0 HG22 THR A 115 -3.987 2.590 -3.752 1.00 0.00 H new ATOM 0 HG23 THR A 115 -3.687 3.600 -5.186 1.00 0.00 H new ATOM 1702 N GLU A 116 -6.872 2.267 -4.670 1.00 0.00 N ATOM 1703 CA GLU A 116 -7.302 0.887 -4.485 1.00 0.00 C ATOM 1704 C GLU A 116 -6.101 -0.047 -4.367 1.00 0.00 C ATOM 1705 O GLU A 116 -5.191 -0.014 -5.197 1.00 0.00 O ATOM 1706 CB GLU A 116 -8.192 0.446 -5.648 1.00 0.00 C ATOM 1707 CG GLU A 116 -8.746 -0.961 -5.492 1.00 0.00 C ATOM 1708 CD GLU A 116 -10.009 -1.184 -6.301 1.00 0.00 C ATOM 1709 OE1 GLU A 116 -11.083 -0.724 -5.861 1.00 0.00 O ATOM 1710 OE2 GLU A 116 -9.924 -1.819 -7.373 1.00 0.00 O ATOM 0 H GLU A 116 -6.936 2.604 -5.631 1.00 0.00 H new ATOM 0 HA GLU A 116 -7.874 0.834 -3.559 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -9.022 1.146 -5.744 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -7.619 0.501 -6.574 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -7.989 -1.682 -5.801 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -8.955 -1.150 -4.439 1.00 0.00 H new ATOM 1717 N LEU A 117 -6.104 -0.877 -3.329 1.00 0.00 N ATOM 1718 CA LEU A 117 -5.014 -1.820 -3.101 1.00 0.00 C ATOM 1719 C LEU A 117 -5.409 -3.225 -3.542 1.00 0.00 C ATOM 1720 O LEU A 117 -6.488 -3.712 -3.206 1.00 0.00 O ATOM 1721 CB LEU A 117 -4.622 -1.828 -1.623 1.00 0.00 C ATOM 1722 CG LEU A 117 -3.385 -2.651 -1.261 1.00 0.00 C ATOM 1723 CD1 LEU A 117 -2.134 -2.024 -1.857 1.00 0.00 C ATOM 1724 CD2 LEU A 117 -3.252 -2.777 0.250 1.00 0.00 C ATOM 0 H LEU A 117 -6.848 -0.916 -2.633 1.00 0.00 H new ATOM 0 HA LEU A 117 -4.158 -1.500 -3.696 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -4.454 -0.798 -1.307 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -5.466 -2.205 -1.046 1.00 0.00 H new ATOM 0 HG LEU A 117 -3.501 -3.650 -1.680 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -1.264 -2.623 -1.589 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -2.228 -1.986 -2.942 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -2.013 -1.013 -1.467 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -2.366 -3.366 0.489 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -3.158 -1.785 0.691 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -4.136 -3.271 0.653 1.00 0.00 H new ATOM 1736 N SER A 118 -4.527 -3.873 -4.296 1.00 0.00 N ATOM 1737 CA SER A 118 -4.784 -5.223 -4.785 1.00 0.00 C ATOM 1738 C SER A 118 -3.807 -6.219 -4.168 1.00 0.00 C ATOM 1739 O SER A 118 -2.837 -6.632 -4.805 1.00 0.00 O ATOM 1740 CB SER A 118 -4.677 -5.264 -6.310 1.00 0.00 C ATOM 1741 OG SER A 118 -5.082 -6.525 -6.816 1.00 0.00 O ATOM 0 H SER A 118 -3.628 -3.485 -4.582 1.00 0.00 H new ATOM 0 HA SER A 118 -5.796 -5.503 -4.491 1.00 0.00 H new ATOM 0 HB2 SER A 118 -5.297 -4.479 -6.742 1.00 0.00 H new ATOM 0 HB3 SER A 118 -3.649 -5.061 -6.611 1.00 0.00 H new ATOM 0 HG SER A 118 -5.006 -6.525 -7.793 1.00 0.00 H new ATOM 1747 N VAL A 119 -4.069 -6.602 -2.923 1.00 0.00 N ATOM 1748 CA VAL A 119 -3.215 -7.551 -2.218 1.00 0.00 C ATOM 1749 C VAL A 119 -3.284 -8.933 -2.858 1.00 0.00 C ATOM 1750 O VAL A 119 -4.300 -9.621 -2.764 1.00 0.00 O ATOM 1751 CB VAL A 119 -3.607 -7.665 -0.733 1.00 0.00 C ATOM 1752 CG1 VAL A 119 -2.789 -8.747 -0.046 1.00 0.00 C ATOM 1753 CG2 VAL A 119 -3.431 -6.326 -0.032 1.00 0.00 C ATOM 0 H VAL A 119 -4.867 -6.270 -2.381 1.00 0.00 H new ATOM 0 HA VAL A 119 -2.196 -7.171 -2.288 1.00 0.00 H new ATOM 0 HB VAL A 119 -4.659 -7.946 -0.673 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -3.080 -8.813 1.002 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -2.970 -9.705 -0.534 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -1.729 -8.500 -0.114 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -3.712 -6.424 1.016 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -2.389 -6.014 -0.100 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -4.065 -5.579 -0.509 1.00 0.00 H new ATOM 1763 N ARG A 120 -2.196 -9.333 -3.509 1.00 0.00 N ATOM 1764 CA ARG A 120 -2.133 -10.633 -4.165 1.00 0.00 C ATOM 1765 C ARG A 120 -1.722 -11.721 -3.178 1.00 0.00 C ATOM 1766 O ARG A 120 -0.622 -11.689 -2.627 1.00 0.00 O ATOM 1767 CB ARG A 120 -1.147 -10.591 -5.334 1.00 0.00 C ATOM 1768 CG ARG A 120 -1.703 -9.910 -6.575 1.00 0.00 C ATOM 1769 CD ARG A 120 -1.004 -10.394 -7.836 1.00 0.00 C ATOM 1770 NE ARG A 120 -1.286 -11.800 -8.112 1.00 0.00 N ATOM 1771 CZ ARG A 120 -1.063 -12.376 -9.288 1.00 0.00 C ATOM 1772 NH1 ARG A 120 -0.558 -11.672 -10.291 1.00 0.00 N ATOM 1773 NH2 ARG A 120 -1.346 -13.661 -9.462 1.00 0.00 N ATOM 0 H ARG A 120 -1.347 -8.775 -3.596 1.00 0.00 H new ATOM 0 HA ARG A 120 -3.127 -10.868 -4.545 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -0.243 -10.070 -5.018 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -0.855 -11.610 -5.589 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -2.772 -10.108 -6.652 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -1.584 -8.830 -6.483 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -1.323 -9.787 -8.683 1.00 0.00 H new ATOM 0 HD3 ARG A 120 0.072 -10.254 -7.731 1.00 0.00 H new ATOM 0 HE ARG A 120 -1.675 -12.370 -7.361 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -0.339 -10.684 -10.161 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -0.388 -12.118 -11.192 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -1.735 -14.206 -8.693 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -1.175 -14.103 -10.365 1.00 0.00 H new ATOM 1787 N ALA A 121 -2.613 -12.683 -2.960 1.00 0.00 N ATOM 1788 CA ALA A 121 -2.342 -13.781 -2.041 1.00 0.00 C ATOM 1789 C ALA A 121 -0.883 -14.217 -2.121 1.00 0.00 C ATOM 1790 O ALA A 121 -0.238 -14.075 -3.160 1.00 0.00 O ATOM 1791 CB ALA A 121 -3.263 -14.956 -2.336 1.00 0.00 C ATOM 0 H ALA A 121 -3.529 -12.724 -3.408 1.00 0.00 H new ATOM 0 HA ALA A 121 -2.533 -13.429 -1.027 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -3.049 -15.769 -1.642 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -4.301 -14.643 -2.220 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -3.100 -15.299 -3.358 1.00 0.00 H new ATOM 1797 N LYS A 122 -0.367 -14.748 -1.018 1.00 0.00 N ATOM 1798 CA LYS A 122 1.016 -15.206 -0.963 1.00 0.00 C ATOM 1799 C LYS A 122 1.348 -16.082 -2.167 1.00 0.00 C ATOM 1800 O LYS A 122 0.492 -16.780 -2.712 1.00 0.00 O ATOM 1801 CB LYS A 122 1.266 -15.984 0.331 1.00 0.00 C ATOM 1802 CG LYS A 122 0.686 -17.388 0.319 1.00 0.00 C ATOM 1803 CD LYS A 122 0.606 -17.971 1.720 1.00 0.00 C ATOM 1804 CE LYS A 122 -0.486 -19.024 1.823 1.00 0.00 C ATOM 1805 NZ LYS A 122 -1.811 -18.421 2.138 1.00 0.00 N ATOM 0 H LYS A 122 -0.887 -14.872 -0.149 1.00 0.00 H new ATOM 0 HA LYS A 122 1.664 -14.329 -0.984 1.00 0.00 H new ATOM 0 HB2 LYS A 122 2.340 -16.045 0.506 1.00 0.00 H new ATOM 0 HB3 LYS A 122 0.838 -15.430 1.166 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -0.309 -17.368 -0.125 1.00 0.00 H new ATOM 0 HG3 LYS A 122 1.302 -18.032 -0.309 1.00 0.00 H new ATOM 0 HD2 LYS A 122 1.566 -18.413 1.987 1.00 0.00 H new ATOM 0 HD3 LYS A 122 0.412 -17.173 2.437 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -0.551 -19.573 0.883 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -0.223 -19.746 2.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -2.528 -19.172 2.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -1.757 -17.919 3.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -2.075 -17.751 1.388 1.00 0.00 H new