USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 606 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 72 SER OG : rot -66:sc= 1.27 USER MOD Set 1.2: A 97 THR OG1 : rot 165:sc= 1.87 USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 23 SER OG : rot 180:sc= -0.331 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot -160:sc= -0.409 USER MOD Single : A 25 THR OG1 : rot -167:sc= -0.694 USER MOD Single : A 27 THR OG1 : rot -46:sc= 0.31 USER MOD Single : A 30 SER OG : rot 180:sc= -0.174 USER MOD Single : A 32 ASN : amide:sc= 1.89 K(o=1.9,f=-5.8!) USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.858 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 152:sc= -0.572 USER MOD Single : A 42 GLN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.0496 X(o=-0.05,f=-0.53) USER MOD Single : A 60 THR OG1 : rot 106:sc= 0.523 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.00117 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= -0.888 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= -0.602 K(o=-0.6,f=-11!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 124:sc= 0.873 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 17.069 -14.929 2.664 1.00 0.00 N ATOM 60 CA GLY A 7 16.997 -13.775 1.787 1.00 0.00 C ATOM 61 C GLY A 7 17.109 -12.466 2.542 1.00 0.00 C ATOM 62 O GLY A 7 17.628 -12.410 3.657 1.00 0.00 O ATOM 0 HA2 GLY A 7 17.796 -13.834 1.048 1.00 0.00 H new ATOM 0 HA3 GLY A 7 16.054 -13.796 1.240 1.00 0.00 H new ATOM 66 N PRO A 8 16.616 -11.380 1.928 1.00 0.00 N ATOM 67 CA PRO A 8 16.652 -10.044 2.531 1.00 0.00 C ATOM 68 C PRO A 8 15.708 -9.920 3.722 1.00 0.00 C ATOM 69 O PRO A 8 14.956 -10.845 4.031 1.00 0.00 O ATOM 70 CB PRO A 8 16.198 -9.128 1.392 1.00 0.00 C ATOM 71 CG PRO A 8 15.374 -10.001 0.509 1.00 0.00 C ATOM 72 CD PRO A 8 15.983 -11.373 0.598 1.00 0.00 C ATOM 0 HA PRO A 8 17.639 -9.801 2.924 1.00 0.00 H new ATOM 0 HB2 PRO A 8 15.618 -8.286 1.769 1.00 0.00 H new ATOM 0 HB3 PRO A 8 17.050 -8.713 0.854 1.00 0.00 H new ATOM 0 HG2 PRO A 8 14.334 -10.014 0.834 1.00 0.00 H new ATOM 0 HG3 PRO A 8 15.382 -9.636 -0.518 1.00 0.00 H new ATOM 0 HD2 PRO A 8 15.228 -12.154 0.508 1.00 0.00 H new ATOM 0 HD3 PRO A 8 16.712 -11.541 -0.195 1.00 0.00 H new ATOM 80 N LYS A 9 15.753 -8.772 4.389 1.00 0.00 N ATOM 81 CA LYS A 9 14.901 -8.525 5.546 1.00 0.00 C ATOM 82 C LYS A 9 13.745 -7.598 5.183 1.00 0.00 C ATOM 83 O LYS A 9 13.803 -6.848 4.209 1.00 0.00 O ATOM 84 CB LYS A 9 15.719 -7.916 6.687 1.00 0.00 C ATOM 85 CG LYS A 9 16.428 -8.948 7.546 1.00 0.00 C ATOM 86 CD LYS A 9 16.741 -8.403 8.929 1.00 0.00 C ATOM 87 CE LYS A 9 18.012 -7.568 8.925 1.00 0.00 C ATOM 88 NZ LYS A 9 18.704 -7.603 10.243 1.00 0.00 N ATOM 0 H LYS A 9 16.371 -7.997 4.148 1.00 0.00 H new ATOM 0 HA LYS A 9 14.489 -9.480 5.872 1.00 0.00 H new ATOM 0 HB2 LYS A 9 16.459 -7.234 6.268 1.00 0.00 H new ATOM 0 HB3 LYS A 9 15.059 -7.321 7.319 1.00 0.00 H new ATOM 0 HG2 LYS A 9 15.804 -9.837 7.637 1.00 0.00 H new ATOM 0 HG3 LYS A 9 17.353 -9.256 7.058 1.00 0.00 H new ATOM 0 HD2 LYS A 9 15.906 -7.795 9.279 1.00 0.00 H new ATOM 0 HD3 LYS A 9 16.850 -9.230 9.631 1.00 0.00 H new ATOM 0 HE2 LYS A 9 18.686 -7.936 8.151 1.00 0.00 H new ATOM 0 HE3 LYS A 9 17.768 -6.537 8.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 19.565 -7.022 10.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 18.071 -7.228 10.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 18.960 -8.584 10.475 1.00 0.00 H new ATOM 102 N PRO A 10 12.671 -7.647 5.985 1.00 0.00 N ATOM 103 CA PRO A 10 11.483 -6.816 5.769 1.00 0.00 C ATOM 104 C PRO A 10 11.748 -5.341 6.051 1.00 0.00 C ATOM 105 O PRO A 10 12.546 -4.984 6.918 1.00 0.00 O ATOM 106 CB PRO A 10 10.470 -7.379 6.769 1.00 0.00 C ATOM 107 CG PRO A 10 11.299 -7.992 7.844 1.00 0.00 C ATOM 108 CD PRO A 10 12.534 -8.518 7.165 1.00 0.00 C ATOM 0 HA PRO A 10 11.144 -6.850 4.734 1.00 0.00 H new ATOM 0 HB2 PRO A 10 9.826 -6.594 7.165 1.00 0.00 H new ATOM 0 HB3 PRO A 10 9.820 -8.118 6.300 1.00 0.00 H new ATOM 0 HG2 PRO A 10 11.556 -7.256 8.606 1.00 0.00 H new ATOM 0 HG3 PRO A 10 10.757 -8.794 8.345 1.00 0.00 H new ATOM 0 HD2 PRO A 10 13.407 -8.455 7.814 1.00 0.00 H new ATOM 0 HD3 PRO A 10 12.422 -9.564 6.881 1.00 0.00 H new ATOM 116 N PRO A 11 11.064 -4.462 5.304 1.00 0.00 N ATOM 117 CA PRO A 11 11.208 -3.012 5.457 1.00 0.00 C ATOM 118 C PRO A 11 10.617 -2.506 6.769 1.00 0.00 C ATOM 119 O PRO A 11 9.713 -3.124 7.332 1.00 0.00 O ATOM 120 CB PRO A 11 10.426 -2.450 4.267 1.00 0.00 C ATOM 121 CG PRO A 11 9.430 -3.507 3.935 1.00 0.00 C ATOM 122 CD PRO A 11 10.096 -4.818 4.253 1.00 0.00 C ATOM 0 HA PRO A 11 12.254 -2.707 5.480 1.00 0.00 H new ATOM 0 HB2 PRO A 11 9.936 -1.511 4.523 1.00 0.00 H new ATOM 0 HB3 PRO A 11 11.084 -2.246 3.422 1.00 0.00 H new ATOM 0 HG2 PRO A 11 8.518 -3.381 4.518 1.00 0.00 H new ATOM 0 HG3 PRO A 11 9.145 -3.459 2.884 1.00 0.00 H new ATOM 0 HD2 PRO A 11 9.378 -5.559 4.603 1.00 0.00 H new ATOM 0 HD3 PRO A 11 10.590 -5.241 3.378 1.00 0.00 H new ATOM 130 N ILE A 12 11.132 -1.379 7.248 1.00 0.00 N ATOM 131 CA ILE A 12 10.654 -0.790 8.493 1.00 0.00 C ATOM 132 C ILE A 12 10.125 0.622 8.265 1.00 0.00 C ATOM 133 O ILE A 12 10.072 1.101 7.132 1.00 0.00 O ATOM 134 CB ILE A 12 11.766 -0.744 9.558 1.00 0.00 C ATOM 135 CG1 ILE A 12 12.946 0.092 9.059 1.00 0.00 C ATOM 136 CG2 ILE A 12 12.219 -2.153 9.911 1.00 0.00 C ATOM 137 CD1 ILE A 12 14.060 0.231 10.073 1.00 0.00 C ATOM 0 H ILE A 12 11.880 -0.855 6.793 1.00 0.00 H new ATOM 0 HA ILE A 12 9.845 -1.425 8.852 1.00 0.00 H new ATOM 0 HB ILE A 12 11.368 -0.275 10.458 1.00 0.00 H new ATOM 0 HG12 ILE A 12 13.345 -0.363 8.153 1.00 0.00 H new ATOM 0 HG13 ILE A 12 12.588 1.085 8.786 1.00 0.00 H new ATOM 0 HG21 ILE A 12 13.005 -2.104 10.665 1.00 0.00 H new ATOM 0 HG22 ILE A 12 11.374 -2.719 10.304 1.00 0.00 H new ATOM 0 HG23 ILE A 12 12.603 -2.646 9.018 1.00 0.00 H new ATOM 0 HD11 ILE A 12 14.863 0.836 9.651 1.00 0.00 H new ATOM 0 HD12 ILE A 12 13.676 0.714 10.972 1.00 0.00 H new ATOM 0 HD13 ILE A 12 14.445 -0.756 10.328 1.00 0.00 H new ATOM 149 N ASP A 13 9.737 1.284 9.349 1.00 0.00 N ATOM 150 CA ASP A 13 9.215 2.644 9.269 1.00 0.00 C ATOM 151 C ASP A 13 8.054 2.722 8.282 1.00 0.00 C ATOM 152 O ASP A 13 7.861 3.738 7.613 1.00 0.00 O ATOM 153 CB ASP A 13 10.321 3.614 8.852 1.00 0.00 C ATOM 154 CG ASP A 13 10.104 5.010 9.401 1.00 0.00 C ATOM 155 OD1 ASP A 13 10.083 5.164 10.640 1.00 0.00 O ATOM 156 OD2 ASP A 13 9.956 5.949 8.591 1.00 0.00 O ATOM 0 H ASP A 13 9.774 0.901 10.294 1.00 0.00 H new ATOM 0 HA ASP A 13 8.849 2.926 10.256 1.00 0.00 H new ATOM 0 HB2 ASP A 13 11.282 3.235 9.200 1.00 0.00 H new ATOM 0 HB3 ASP A 13 10.370 3.658 7.764 1.00 0.00 H new ATOM 161 N LEU A 14 7.283 1.643 8.196 1.00 0.00 N ATOM 162 CA LEU A 14 6.141 1.589 7.290 1.00 0.00 C ATOM 163 C LEU A 14 5.013 2.490 7.782 1.00 0.00 C ATOM 164 O LEU A 14 4.241 2.111 8.664 1.00 0.00 O ATOM 165 CB LEU A 14 5.639 0.150 7.156 1.00 0.00 C ATOM 166 CG LEU A 14 4.967 -0.205 5.830 1.00 0.00 C ATOM 167 CD1 LEU A 14 5.929 0.006 4.671 1.00 0.00 C ATOM 168 CD2 LEU A 14 4.466 -1.642 5.854 1.00 0.00 C ATOM 0 H LEU A 14 7.428 0.794 8.743 1.00 0.00 H new ATOM 0 HA LEU A 14 6.466 1.946 6.313 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.483 -0.523 7.304 1.00 0.00 H new ATOM 0 HB3 LEU A 14 4.931 -0.043 7.962 1.00 0.00 H new ATOM 0 HG LEU A 14 4.111 0.455 5.690 1.00 0.00 H new ATOM 0 HD11 LEU A 14 5.433 -0.252 3.735 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.240 1.050 4.641 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.805 -0.629 4.805 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.990 -1.877 4.902 1.00 0.00 H new ATOM 0 HD22 LEU A 14 5.306 -2.317 6.017 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.742 -1.762 6.660 1.00 0.00 H new ATOM 180 N VAL A 15 4.921 3.684 7.205 1.00 0.00 N ATOM 181 CA VAL A 15 3.885 4.638 7.582 1.00 0.00 C ATOM 182 C VAL A 15 3.342 5.371 6.361 1.00 0.00 C ATOM 183 O VAL A 15 4.012 5.468 5.333 1.00 0.00 O ATOM 184 CB VAL A 15 4.414 5.670 8.595 1.00 0.00 C ATOM 185 CG1 VAL A 15 3.280 6.202 9.458 1.00 0.00 C ATOM 186 CG2 VAL A 15 5.509 5.059 9.456 1.00 0.00 C ATOM 0 H VAL A 15 5.552 4.014 6.474 1.00 0.00 H new ATOM 0 HA VAL A 15 3.081 4.066 8.045 1.00 0.00 H new ATOM 0 HB VAL A 15 4.842 6.507 8.044 1.00 0.00 H new ATOM 0 HG11 VAL A 15 3.673 6.930 10.168 1.00 0.00 H new ATOM 0 HG12 VAL A 15 2.534 6.680 8.824 1.00 0.00 H new ATOM 0 HG13 VAL A 15 2.819 5.378 10.002 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.871 5.803 10.166 1.00 0.00 H new ATOM 0 HG22 VAL A 15 5.109 4.203 9.999 1.00 0.00 H new ATOM 0 HG23 VAL A 15 6.332 4.733 8.820 1.00 0.00 H new ATOM 196 N VAL A 16 2.123 5.888 6.481 1.00 0.00 N ATOM 197 CA VAL A 16 1.490 6.615 5.387 1.00 0.00 C ATOM 198 C VAL A 16 1.552 8.121 5.620 1.00 0.00 C ATOM 199 O VAL A 16 1.223 8.608 6.702 1.00 0.00 O ATOM 200 CB VAL A 16 0.019 6.194 5.210 1.00 0.00 C ATOM 201 CG1 VAL A 16 -0.707 7.166 4.293 1.00 0.00 C ATOM 202 CG2 VAL A 16 -0.067 4.774 4.673 1.00 0.00 C ATOM 0 H VAL A 16 1.554 5.817 7.325 1.00 0.00 H new ATOM 0 HA VAL A 16 2.042 6.367 4.481 1.00 0.00 H new ATOM 0 HB VAL A 16 -0.469 6.219 6.184 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -1.745 6.853 4.179 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.675 8.166 4.725 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -0.222 7.176 3.317 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.113 4.493 4.554 1.00 0.00 H new ATOM 0 HG22 VAL A 16 0.436 4.719 3.707 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.415 4.091 5.372 1.00 0.00 H new ATOM 212 N THR A 17 1.977 8.855 4.596 1.00 0.00 N ATOM 213 CA THR A 17 2.083 10.306 4.688 1.00 0.00 C ATOM 214 C THR A 17 0.884 10.987 4.038 1.00 0.00 C ATOM 215 O THR A 17 0.420 12.025 4.508 1.00 0.00 O ATOM 216 CB THR A 17 3.374 10.818 4.023 1.00 0.00 C ATOM 217 OG1 THR A 17 3.476 12.238 4.180 1.00 0.00 O ATOM 218 CG2 THR A 17 3.398 10.464 2.543 1.00 0.00 C ATOM 0 H THR A 17 2.253 8.468 3.694 1.00 0.00 H new ATOM 0 HA THR A 17 2.107 10.555 5.749 1.00 0.00 H new ATOM 0 HB THR A 17 4.222 10.337 4.510 1.00 0.00 H new ATOM 0 HG1 THR A 17 4.300 12.556 3.756 1.00 0.00 H new ATOM 0 HG21 THR A 17 4.319 10.836 2.095 1.00 0.00 H new ATOM 0 HG22 THR A 17 3.349 9.381 2.427 1.00 0.00 H new ATOM 0 HG23 THR A 17 2.542 10.921 2.046 1.00 0.00 H new ATOM 226 N GLU A 18 0.389 10.396 2.956 1.00 0.00 N ATOM 227 CA GLU A 18 -0.757 10.948 2.242 1.00 0.00 C ATOM 228 C GLU A 18 -1.798 9.867 1.966 1.00 0.00 C ATOM 229 O GLU A 18 -1.461 8.700 1.763 1.00 0.00 O ATOM 230 CB GLU A 18 -0.306 11.585 0.925 1.00 0.00 C ATOM 231 CG GLU A 18 0.098 13.043 1.062 1.00 0.00 C ATOM 232 CD GLU A 18 0.359 13.704 -0.278 1.00 0.00 C ATOM 233 OE1 GLU A 18 -0.606 13.872 -1.053 1.00 0.00 O ATOM 234 OE2 GLU A 18 1.526 14.053 -0.551 1.00 0.00 O ATOM 0 H GLU A 18 0.763 9.536 2.554 1.00 0.00 H new ATOM 0 HA GLU A 18 -1.211 11.713 2.871 1.00 0.00 H new ATOM 0 HB2 GLU A 18 0.536 11.019 0.527 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.114 11.507 0.198 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.689 13.587 1.584 1.00 0.00 H new ATOM 0 HG3 GLU A 18 0.995 13.111 1.678 1.00 0.00 H new ATOM 241 N THR A 19 -3.067 10.264 1.962 1.00 0.00 N ATOM 242 CA THR A 19 -4.159 9.331 1.713 1.00 0.00 C ATOM 243 C THR A 19 -5.235 9.964 0.839 1.00 0.00 C ATOM 244 O THR A 19 -5.943 10.875 1.269 1.00 0.00 O ATOM 245 CB THR A 19 -4.799 8.851 3.030 1.00 0.00 C ATOM 246 OG1 THR A 19 -4.697 9.876 4.025 1.00 0.00 O ATOM 247 CG2 THR A 19 -4.124 7.583 3.529 1.00 0.00 C ATOM 0 H THR A 19 -3.364 11.226 2.128 1.00 0.00 H new ATOM 0 HA THR A 19 -3.730 8.475 1.193 1.00 0.00 H new ATOM 0 HB THR A 19 -5.850 8.633 2.840 1.00 0.00 H new ATOM 0 HG1 THR A 19 -5.107 9.565 4.859 1.00 0.00 H new ATOM 0 HG21 THR A 19 -4.593 7.263 4.460 1.00 0.00 H new ATOM 0 HG22 THR A 19 -4.229 6.797 2.781 1.00 0.00 H new ATOM 0 HG23 THR A 19 -3.066 7.779 3.704 1.00 0.00 H new ATOM 255 N THR A 20 -5.355 9.475 -0.392 1.00 0.00 N ATOM 256 CA THR A 20 -6.345 9.994 -1.327 1.00 0.00 C ATOM 257 C THR A 20 -7.595 9.121 -1.344 1.00 0.00 C ATOM 258 O THR A 20 -7.597 8.012 -0.810 1.00 0.00 O ATOM 259 CB THR A 20 -5.776 10.084 -2.755 1.00 0.00 C ATOM 260 OG1 THR A 20 -4.358 10.277 -2.706 1.00 0.00 O ATOM 261 CG2 THR A 20 -6.422 11.226 -3.524 1.00 0.00 C ATOM 0 H THR A 20 -4.779 8.720 -0.764 1.00 0.00 H new ATOM 0 HA THR A 20 -6.608 10.995 -0.985 1.00 0.00 H new ATOM 0 HB THR A 20 -5.997 9.149 -3.270 1.00 0.00 H new ATOM 0 HG1 THR A 20 -4.048 10.644 -3.560 1.00 0.00 H new ATOM 0 HG21 THR A 20 -6.004 11.270 -4.530 1.00 0.00 H new ATOM 0 HG22 THR A 20 -7.498 11.061 -3.585 1.00 0.00 H new ATOM 0 HG23 THR A 20 -6.228 12.167 -3.009 1.00 0.00 H new ATOM 269 N ALA A 21 -8.657 9.628 -1.962 1.00 0.00 N ATOM 270 CA ALA A 21 -9.912 8.893 -2.051 1.00 0.00 C ATOM 271 C ALA A 21 -9.728 7.581 -2.806 1.00 0.00 C ATOM 272 O ALA A 21 -10.394 6.587 -2.517 1.00 0.00 O ATOM 273 CB ALA A 21 -10.977 9.746 -2.724 1.00 0.00 C ATOM 0 H ALA A 21 -8.673 10.545 -2.408 1.00 0.00 H new ATOM 0 HA ALA A 21 -10.238 8.656 -1.038 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -11.909 9.184 -2.784 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -11.137 10.654 -2.142 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -10.649 10.012 -3.729 1.00 0.00 H new ATOM 279 N THR A 22 -8.819 7.585 -3.776 1.00 0.00 N ATOM 280 CA THR A 22 -8.548 6.396 -4.574 1.00 0.00 C ATOM 281 C THR A 22 -7.050 6.141 -4.691 1.00 0.00 C ATOM 282 O THR A 22 -6.597 5.451 -5.604 1.00 0.00 O ATOM 283 CB THR A 22 -9.148 6.519 -5.988 1.00 0.00 C ATOM 284 OG1 THR A 22 -8.510 7.585 -6.700 1.00 0.00 O ATOM 285 CG2 THR A 22 -10.646 6.774 -5.920 1.00 0.00 C ATOM 0 H THR A 22 -8.258 8.399 -4.028 1.00 0.00 H new ATOM 0 HA THR A 22 -9.017 5.557 -4.060 1.00 0.00 H new ATOM 0 HB THR A 22 -8.979 5.579 -6.513 1.00 0.00 H new ATOM 0 HG1 THR A 22 -8.896 7.655 -7.598 1.00 0.00 H new ATOM 0 HG21 THR A 22 -11.047 6.857 -6.930 1.00 0.00 H new ATOM 0 HG22 THR A 22 -11.133 5.947 -5.403 1.00 0.00 H new ATOM 0 HG23 THR A 22 -10.833 7.701 -5.378 1.00 0.00 H new ATOM 293 N SER A 23 -6.285 6.701 -3.760 1.00 0.00 N ATOM 294 CA SER A 23 -4.836 6.537 -3.760 1.00 0.00 C ATOM 295 C SER A 23 -4.268 6.719 -2.356 1.00 0.00 C ATOM 296 O SER A 23 -4.975 7.133 -1.436 1.00 0.00 O ATOM 297 CB SER A 23 -4.188 7.539 -4.718 1.00 0.00 C ATOM 298 OG SER A 23 -4.880 7.584 -5.954 1.00 0.00 O ATOM 0 H SER A 23 -6.644 7.273 -2.996 1.00 0.00 H new ATOM 0 HA SER A 23 -4.610 5.525 -4.096 1.00 0.00 H new ATOM 0 HB2 SER A 23 -4.183 8.530 -4.264 1.00 0.00 H new ATOM 0 HB3 SER A 23 -3.148 7.262 -4.890 1.00 0.00 H new ATOM 0 HG SER A 23 -4.447 8.233 -6.548 1.00 0.00 H new ATOM 304 N VAL A 24 -2.986 6.406 -2.197 1.00 0.00 N ATOM 305 CA VAL A 24 -2.321 6.535 -0.906 1.00 0.00 C ATOM 306 C VAL A 24 -0.806 6.575 -1.070 1.00 0.00 C ATOM 307 O VAL A 24 -0.265 6.098 -2.068 1.00 0.00 O ATOM 308 CB VAL A 24 -2.695 5.374 0.036 1.00 0.00 C ATOM 309 CG1 VAL A 24 -1.918 5.474 1.340 1.00 0.00 C ATOM 310 CG2 VAL A 24 -4.193 5.363 0.298 1.00 0.00 C ATOM 0 H VAL A 24 -2.387 6.061 -2.947 1.00 0.00 H new ATOM 0 HA VAL A 24 -2.660 7.473 -0.467 1.00 0.00 H new ATOM 0 HB VAL A 24 -2.427 4.435 -0.448 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -2.195 4.646 1.993 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.849 5.430 1.131 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -2.153 6.418 1.832 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -4.440 4.537 0.965 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -4.488 6.304 0.762 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -4.726 5.240 -0.645 1.00 0.00 H new ATOM 320 N THR A 25 -0.125 7.147 -0.082 1.00 0.00 N ATOM 321 CA THR A 25 1.329 7.250 -0.116 1.00 0.00 C ATOM 322 C THR A 25 1.961 6.487 1.043 1.00 0.00 C ATOM 323 O THR A 25 1.677 6.763 2.210 1.00 0.00 O ATOM 324 CB THR A 25 1.789 8.719 -0.061 1.00 0.00 C ATOM 325 OG1 THR A 25 1.106 9.484 -1.060 1.00 0.00 O ATOM 326 CG2 THR A 25 3.292 8.823 -0.273 1.00 0.00 C ATOM 0 H THR A 25 -0.557 7.546 0.752 1.00 0.00 H new ATOM 0 HA THR A 25 1.656 6.810 -1.058 1.00 0.00 H new ATOM 0 HB THR A 25 1.549 9.116 0.926 1.00 0.00 H new ATOM 0 HG1 THR A 25 1.543 10.356 -1.160 1.00 0.00 H new ATOM 0 HG21 THR A 25 3.594 9.869 -0.230 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.809 8.264 0.507 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.551 8.410 -1.248 1.00 0.00 H new ATOM 334 N LEU A 26 2.820 5.529 0.715 1.00 0.00 N ATOM 335 CA LEU A 26 3.494 4.726 1.730 1.00 0.00 C ATOM 336 C LEU A 26 4.980 5.065 1.793 1.00 0.00 C ATOM 337 O LEU A 26 5.658 5.130 0.767 1.00 0.00 O ATOM 338 CB LEU A 26 3.312 3.236 1.434 1.00 0.00 C ATOM 339 CG LEU A 26 3.559 2.284 2.605 1.00 0.00 C ATOM 340 CD1 LEU A 26 2.396 2.329 3.584 1.00 0.00 C ATOM 341 CD2 LEU A 26 3.780 0.865 2.101 1.00 0.00 C ATOM 0 H LEU A 26 3.067 5.289 -0.245 1.00 0.00 H new ATOM 0 HA LEU A 26 3.046 4.956 2.697 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.296 3.079 1.073 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.985 2.963 0.621 1.00 0.00 H new ATOM 0 HG LEU A 26 4.459 2.607 3.127 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.590 1.645 4.411 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.284 3.342 3.970 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.480 2.032 3.074 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.954 0.201 2.948 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.898 0.532 1.554 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.646 0.845 1.440 1.00 0.00 H new ATOM 353 N THR A 27 5.482 5.277 3.006 1.00 0.00 N ATOM 354 CA THR A 27 6.888 5.608 3.204 1.00 0.00 C ATOM 355 C THR A 27 7.567 4.597 4.120 1.00 0.00 C ATOM 356 O THR A 27 7.008 4.199 5.142 1.00 0.00 O ATOM 357 CB THR A 27 7.054 7.018 3.801 1.00 0.00 C ATOM 358 OG1 THR A 27 6.661 7.017 5.177 1.00 0.00 O ATOM 359 CG2 THR A 27 6.223 8.033 3.031 1.00 0.00 C ATOM 0 H THR A 27 4.936 5.225 3.866 1.00 0.00 H new ATOM 0 HA THR A 27 7.361 5.579 2.222 1.00 0.00 H new ATOM 0 HB THR A 27 8.104 7.299 3.724 1.00 0.00 H new ATOM 0 HG1 THR A 27 5.807 6.546 5.273 1.00 0.00 H new ATOM 0 HG21 THR A 27 6.356 9.021 3.471 1.00 0.00 H new ATOM 0 HG22 THR A 27 6.546 8.053 1.990 1.00 0.00 H new ATOM 0 HG23 THR A 27 5.171 7.753 3.079 1.00 0.00 H new ATOM 367 N TRP A 28 8.774 4.187 3.749 1.00 0.00 N ATOM 368 CA TRP A 28 9.529 3.221 4.540 1.00 0.00 C ATOM 369 C TRP A 28 11.029 3.408 4.339 1.00 0.00 C ATOM 370 O TRP A 28 11.458 4.218 3.517 1.00 0.00 O ATOM 371 CB TRP A 28 9.125 1.795 4.164 1.00 0.00 C ATOM 372 CG TRP A 28 9.560 1.398 2.786 1.00 0.00 C ATOM 373 CD1 TRP A 28 10.726 0.777 2.441 1.00 0.00 C ATOM 374 CD2 TRP A 28 8.835 1.598 1.567 1.00 0.00 C ATOM 375 NE1 TRP A 28 10.770 0.578 1.082 1.00 0.00 N ATOM 376 CE2 TRP A 28 9.621 1.072 0.524 1.00 0.00 C ATOM 377 CE3 TRP A 28 7.597 2.168 1.257 1.00 0.00 C ATOM 378 CZ2 TRP A 28 9.209 1.101 -0.806 1.00 0.00 C ATOM 379 CZ3 TRP A 28 7.189 2.196 -0.063 1.00 0.00 C ATOM 380 CH2 TRP A 28 7.992 1.665 -1.081 1.00 0.00 C ATOM 0 H TRP A 28 9.251 4.508 2.906 1.00 0.00 H new ATOM 0 HA TRP A 28 9.298 3.390 5.592 1.00 0.00 H new ATOM 0 HB2 TRP A 28 9.554 1.101 4.887 1.00 0.00 H new ATOM 0 HB3 TRP A 28 8.041 1.701 4.236 1.00 0.00 H new ATOM 0 HD1 TRP A 28 11.500 0.485 3.135 1.00 0.00 H new ATOM 0 HE1 TRP A 28 11.534 0.135 0.572 1.00 0.00 H new ATOM 0 HE3 TRP A 28 6.971 2.579 2.035 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 9.827 0.693 -1.592 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 6.235 2.635 -0.314 1.00 0.00 H new ATOM 0 HH2 TRP A 28 7.644 1.701 -2.103 1.00 0.00 H new ATOM 391 N ASP A 29 11.821 2.654 5.093 1.00 0.00 N ATOM 392 CA ASP A 29 13.274 2.736 4.996 1.00 0.00 C ATOM 393 C ASP A 29 13.851 1.458 4.394 1.00 0.00 C ATOM 394 O ASP A 29 13.267 0.382 4.521 1.00 0.00 O ATOM 395 CB ASP A 29 13.885 2.987 6.375 1.00 0.00 C ATOM 396 CG ASP A 29 15.393 3.138 6.321 1.00 0.00 C ATOM 397 OD1 ASP A 29 15.868 4.155 5.773 1.00 0.00 O ATOM 398 OD2 ASP A 29 16.098 2.241 6.828 1.00 0.00 O ATOM 0 H ASP A 29 11.482 1.979 5.778 1.00 0.00 H new ATOM 0 HA ASP A 29 13.524 3.570 4.340 1.00 0.00 H new ATOM 0 HB2 ASP A 29 13.448 3.888 6.804 1.00 0.00 H new ATOM 0 HB3 ASP A 29 13.629 2.161 7.039 1.00 0.00 H new ATOM 403 N SER A 30 15.000 1.585 3.739 1.00 0.00 N ATOM 404 CA SER A 30 15.654 0.441 3.114 1.00 0.00 C ATOM 405 C SER A 30 15.625 -0.773 4.037 1.00 0.00 C ATOM 406 O SER A 30 15.223 -1.864 3.634 1.00 0.00 O ATOM 407 CB SER A 30 17.100 0.788 2.754 1.00 0.00 C ATOM 408 OG SER A 30 17.852 1.104 3.912 1.00 0.00 O ATOM 0 H SER A 30 15.498 2.468 3.627 1.00 0.00 H new ATOM 0 HA SER A 30 15.109 0.195 2.203 1.00 0.00 H new ATOM 0 HB2 SER A 30 17.561 -0.053 2.236 1.00 0.00 H new ATOM 0 HB3 SER A 30 17.114 1.633 2.066 1.00 0.00 H new ATOM 0 HG SER A 30 18.773 1.320 3.655 1.00 0.00 H new ATOM 414 N GLY A 31 16.054 -0.574 5.279 1.00 0.00 N ATOM 415 CA GLY A 31 16.070 -1.661 6.241 1.00 0.00 C ATOM 416 C GLY A 31 17.238 -2.604 6.032 1.00 0.00 C ATOM 417 O GLY A 31 17.905 -2.997 6.988 1.00 0.00 O ATOM 0 H GLY A 31 16.391 0.320 5.637 1.00 0.00 H new ATOM 0 HA2 GLY A 31 16.116 -1.249 7.249 1.00 0.00 H new ATOM 0 HA3 GLY A 31 15.138 -2.221 6.167 1.00 0.00 H new ATOM 421 N ASN A 32 17.485 -2.968 4.778 1.00 0.00 N ATOM 422 CA ASN A 32 18.579 -3.874 4.447 1.00 0.00 C ATOM 423 C ASN A 32 19.895 -3.112 4.320 1.00 0.00 C ATOM 424 O ASN A 32 19.911 -1.882 4.284 1.00 0.00 O ATOM 425 CB ASN A 32 18.278 -4.616 3.143 1.00 0.00 C ATOM 426 CG ASN A 32 17.280 -5.741 3.336 1.00 0.00 C ATOM 427 OD1 ASN A 32 17.631 -6.918 3.255 1.00 0.00 O ATOM 428 ND2 ASN A 32 16.027 -5.382 3.592 1.00 0.00 N ATOM 0 H ASN A 32 16.943 -2.650 3.975 1.00 0.00 H new ATOM 0 HA ASN A 32 18.675 -4.599 5.255 1.00 0.00 H new ATOM 0 HB2 ASN A 32 17.889 -3.911 2.408 1.00 0.00 H new ATOM 0 HB3 ASN A 32 19.205 -5.021 2.737 1.00 0.00 H new ATOM 0 HD21 ASN A 32 15.310 -6.095 3.730 1.00 0.00 H new ATOM 0 HD22 ASN A 32 15.781 -4.394 3.650 1.00 0.00 H new ATOM 475 N VAL A 36 19.766 -4.151 -2.583 1.00 0.00 N ATOM 476 CA VAL A 36 18.577 -4.885 -3.001 1.00 0.00 C ATOM 477 C VAL A 36 18.207 -4.555 -4.443 1.00 0.00 C ATOM 478 O VAL A 36 18.454 -3.448 -4.922 1.00 0.00 O ATOM 479 CB VAL A 36 17.375 -4.574 -2.090 1.00 0.00 C ATOM 480 CG1 VAL A 36 16.269 -5.597 -2.297 1.00 0.00 C ATOM 481 CG2 VAL A 36 17.809 -4.532 -0.632 1.00 0.00 C ATOM 0 HA VAL A 36 18.816 -5.946 -2.923 1.00 0.00 H new ATOM 0 HB VAL A 36 16.983 -3.593 -2.357 1.00 0.00 H new ATOM 0 HG11 VAL A 36 15.428 -5.361 -1.645 1.00 0.00 H new ATOM 0 HG12 VAL A 36 15.940 -5.572 -3.336 1.00 0.00 H new ATOM 0 HG13 VAL A 36 16.645 -6.592 -2.059 1.00 0.00 H new ATOM 0 HG21 VAL A 36 16.947 -4.311 -0.002 1.00 0.00 H new ATOM 0 HG22 VAL A 36 18.227 -5.498 -0.349 1.00 0.00 H new ATOM 0 HG23 VAL A 36 18.564 -3.757 -0.499 1.00 0.00 H new ATOM 491 N THR A 37 17.612 -5.524 -5.132 1.00 0.00 N ATOM 492 CA THR A 37 17.208 -5.338 -6.520 1.00 0.00 C ATOM 493 C THR A 37 15.988 -4.430 -6.620 1.00 0.00 C ATOM 494 O THR A 37 16.029 -3.388 -7.274 1.00 0.00 O ATOM 495 CB THR A 37 16.889 -6.684 -7.198 1.00 0.00 C ATOM 496 OG1 THR A 37 18.032 -7.545 -7.138 1.00 0.00 O ATOM 497 CG2 THR A 37 16.479 -6.476 -8.648 1.00 0.00 C ATOM 0 H THR A 37 17.399 -6.446 -4.751 1.00 0.00 H new ATOM 0 HA THR A 37 18.048 -4.871 -7.034 1.00 0.00 H new ATOM 0 HB THR A 37 16.058 -7.146 -6.666 1.00 0.00 H new ATOM 0 HG1 THR A 37 17.821 -8.399 -7.569 1.00 0.00 H new ATOM 0 HG21 THR A 37 16.259 -7.440 -9.106 1.00 0.00 H new ATOM 0 HG22 THR A 37 15.592 -5.844 -8.688 1.00 0.00 H new ATOM 0 HG23 THR A 37 17.292 -5.994 -9.191 1.00 0.00 H new ATOM 505 N TYR A 38 14.903 -4.831 -5.967 1.00 0.00 N ATOM 506 CA TYR A 38 13.669 -4.053 -5.984 1.00 0.00 C ATOM 507 C TYR A 38 12.775 -4.425 -4.805 1.00 0.00 C ATOM 508 O TYR A 38 13.046 -5.385 -4.084 1.00 0.00 O ATOM 509 CB TYR A 38 12.919 -4.277 -7.298 1.00 0.00 C ATOM 510 CG TYR A 38 12.200 -5.605 -7.367 1.00 0.00 C ATOM 511 CD1 TYR A 38 12.846 -6.744 -7.833 1.00 0.00 C ATOM 512 CD2 TYR A 38 10.876 -5.722 -6.964 1.00 0.00 C ATOM 513 CE1 TYR A 38 12.193 -7.959 -7.898 1.00 0.00 C ATOM 514 CE2 TYR A 38 10.215 -6.934 -7.024 1.00 0.00 C ATOM 515 CZ TYR A 38 10.878 -8.049 -7.492 1.00 0.00 C ATOM 516 OH TYR A 38 10.224 -9.258 -7.554 1.00 0.00 O ATOM 0 H TYR A 38 14.852 -5.690 -5.419 1.00 0.00 H new ATOM 0 HA TYR A 38 13.932 -2.999 -5.899 1.00 0.00 H new ATOM 0 HB2 TYR A 38 12.195 -3.474 -7.434 1.00 0.00 H new ATOM 0 HB3 TYR A 38 13.626 -4.213 -8.125 1.00 0.00 H new ATOM 0 HD1 TYR A 38 13.876 -6.678 -8.150 1.00 0.00 H new ATOM 0 HD2 TYR A 38 10.354 -4.851 -6.597 1.00 0.00 H new ATOM 0 HE1 TYR A 38 12.709 -8.834 -8.265 1.00 0.00 H new ATOM 0 HE2 TYR A 38 9.185 -7.008 -6.706 1.00 0.00 H new ATOM 0 HH TYR A 38 9.305 -9.150 -7.230 1.00 0.00 H new ATOM 526 N TYR A 39 11.708 -3.657 -4.616 1.00 0.00 N ATOM 527 CA TYR A 39 10.773 -3.902 -3.524 1.00 0.00 C ATOM 528 C TYR A 39 9.354 -4.087 -4.053 1.00 0.00 C ATOM 529 O TYR A 39 8.901 -3.342 -4.922 1.00 0.00 O ATOM 530 CB TYR A 39 10.810 -2.746 -2.523 1.00 0.00 C ATOM 531 CG TYR A 39 12.098 -2.669 -1.734 1.00 0.00 C ATOM 532 CD1 TYR A 39 13.284 -2.273 -2.340 1.00 0.00 C ATOM 533 CD2 TYR A 39 12.129 -2.994 -0.384 1.00 0.00 C ATOM 534 CE1 TYR A 39 14.463 -2.202 -1.624 1.00 0.00 C ATOM 535 CE2 TYR A 39 13.303 -2.924 0.341 1.00 0.00 C ATOM 536 CZ TYR A 39 14.467 -2.528 -0.284 1.00 0.00 C ATOM 537 OH TYR A 39 15.639 -2.459 0.434 1.00 0.00 O ATOM 0 H TYR A 39 11.469 -2.859 -5.205 1.00 0.00 H new ATOM 0 HA TYR A 39 11.076 -4.820 -3.020 1.00 0.00 H new ATOM 0 HB2 TYR A 39 10.665 -1.808 -3.059 1.00 0.00 H new ATOM 0 HB3 TYR A 39 9.975 -2.850 -1.830 1.00 0.00 H new ATOM 0 HD1 TYR A 39 13.284 -2.016 -3.389 1.00 0.00 H new ATOM 0 HD2 TYR A 39 11.220 -3.307 0.108 1.00 0.00 H new ATOM 0 HE1 TYR A 39 15.376 -1.893 -2.111 1.00 0.00 H new ATOM 0 HE2 TYR A 39 13.309 -3.178 1.391 1.00 0.00 H new ATOM 0 HH TYR A 39 15.436 -2.279 1.376 1.00 0.00 H new ATOM 547 N GLY A 40 8.656 -5.085 -3.521 1.00 0.00 N ATOM 548 CA GLY A 40 7.295 -5.351 -3.950 1.00 0.00 C ATOM 549 C GLY A 40 6.265 -4.786 -2.992 1.00 0.00 C ATOM 550 O GLY A 40 6.589 -4.439 -1.856 1.00 0.00 O ATOM 0 H GLY A 40 9.009 -5.715 -2.800 1.00 0.00 H new ATOM 0 HA2 GLY A 40 7.139 -4.923 -4.940 1.00 0.00 H new ATOM 0 HA3 GLY A 40 7.150 -6.427 -4.042 1.00 0.00 H new ATOM 554 N ILE A 41 5.022 -4.692 -3.452 1.00 0.00 N ATOM 555 CA ILE A 41 3.941 -4.165 -2.627 1.00 0.00 C ATOM 556 C ILE A 41 2.671 -4.993 -2.790 1.00 0.00 C ATOM 557 O ILE A 41 2.299 -5.362 -3.904 1.00 0.00 O ATOM 558 CB ILE A 41 3.632 -2.697 -2.976 1.00 0.00 C ATOM 559 CG1 ILE A 41 4.889 -1.838 -2.823 1.00 0.00 C ATOM 560 CG2 ILE A 41 2.511 -2.168 -2.094 1.00 0.00 C ATOM 561 CD1 ILE A 41 4.795 -0.500 -3.522 1.00 0.00 C ATOM 0 H ILE A 41 4.738 -4.973 -4.390 1.00 0.00 H new ATOM 0 HA ILE A 41 4.278 -4.221 -1.592 1.00 0.00 H new ATOM 0 HB ILE A 41 3.305 -2.647 -4.015 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.079 -1.672 -1.763 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.744 -2.386 -3.218 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.304 -1.130 -2.352 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.613 -2.766 -2.249 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.812 -2.229 -1.048 1.00 0.00 H new ATOM 0 HD11 ILE A 41 5.721 0.055 -3.371 1.00 0.00 H new ATOM 0 HD12 ILE A 41 4.636 -0.657 -4.589 1.00 0.00 H new ATOM 0 HD13 ILE A 41 3.960 0.068 -3.110 1.00 0.00 H new ATOM 573 N GLN A 42 2.010 -5.279 -1.673 1.00 0.00 N ATOM 574 CA GLN A 42 0.781 -6.062 -1.693 1.00 0.00 C ATOM 575 C GLN A 42 -0.299 -5.402 -0.843 1.00 0.00 C ATOM 576 O GLN A 42 -0.096 -5.138 0.343 1.00 0.00 O ATOM 577 CB GLN A 42 1.047 -7.481 -1.187 1.00 0.00 C ATOM 578 CG GLN A 42 1.783 -8.356 -2.190 1.00 0.00 C ATOM 579 CD GLN A 42 2.514 -9.509 -1.532 1.00 0.00 C ATOM 580 OE1 GLN A 42 3.822 -9.358 -1.356 1.00 0.00 O flip ATOM 581 NE2 GLN A 42 1.911 -10.525 -1.185 1.00 0.00 N flip ATOM 0 H GLN A 42 2.305 -4.980 -0.743 1.00 0.00 H new ATOM 0 HA GLN A 42 0.428 -6.111 -2.723 1.00 0.00 H new ATOM 0 HB2 GLN A 42 1.630 -7.427 -0.268 1.00 0.00 H new ATOM 0 HB3 GLN A 42 0.097 -7.952 -0.935 1.00 0.00 H new ATOM 0 HG2 GLN A 42 1.070 -8.749 -2.915 1.00 0.00 H new ATOM 0 HG3 GLN A 42 2.497 -7.746 -2.743 1.00 0.00 H new ATOM 0 HE21 GLN A 42 0.905 -10.599 -1.339 1.00 0.00 H new ATOM 0 HE22 GLN A 42 2.417 -11.293 -0.743 1.00 0.00 H new ATOM 590 N TYR A 43 -1.447 -5.137 -1.456 1.00 0.00 N ATOM 591 CA TYR A 43 -2.559 -4.504 -0.756 1.00 0.00 C ATOM 592 C TYR A 43 -3.895 -5.056 -1.244 1.00 0.00 C ATOM 593 O TYR A 43 -4.002 -5.551 -2.366 1.00 0.00 O ATOM 594 CB TYR A 43 -2.518 -2.988 -0.955 1.00 0.00 C ATOM 595 CG TYR A 43 -2.548 -2.567 -2.407 1.00 0.00 C ATOM 596 CD1 TYR A 43 -1.465 -2.809 -3.243 1.00 0.00 C ATOM 597 CD2 TYR A 43 -3.658 -1.926 -2.942 1.00 0.00 C ATOM 598 CE1 TYR A 43 -1.487 -2.425 -4.570 1.00 0.00 C ATOM 599 CE2 TYR A 43 -3.690 -1.540 -4.268 1.00 0.00 C ATOM 600 CZ TYR A 43 -2.602 -1.792 -5.078 1.00 0.00 C ATOM 601 OH TYR A 43 -2.630 -1.408 -6.399 1.00 0.00 O ATOM 0 H TYR A 43 -1.632 -5.351 -2.436 1.00 0.00 H new ATOM 0 HA TYR A 43 -2.460 -4.727 0.306 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -3.366 -2.539 -0.438 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -1.615 -2.593 -0.489 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -0.591 -3.306 -2.849 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -4.511 -1.726 -2.310 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -0.636 -2.619 -5.206 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -4.562 -1.044 -4.668 1.00 0.00 H new ATOM 0 HH TYR A 43 -3.488 -0.977 -6.596 1.00 0.00 H new ATOM 611 N ARG A 44 -4.911 -4.967 -0.392 1.00 0.00 N ATOM 612 CA ARG A 44 -6.241 -5.457 -0.735 1.00 0.00 C ATOM 613 C ARG A 44 -7.268 -5.015 0.304 1.00 0.00 C ATOM 614 O ARG A 44 -6.930 -4.774 1.462 1.00 0.00 O ATOM 615 CB ARG A 44 -6.233 -6.983 -0.842 1.00 0.00 C ATOM 616 CG ARG A 44 -7.617 -7.590 -1.000 1.00 0.00 C ATOM 617 CD ARG A 44 -7.564 -8.910 -1.753 1.00 0.00 C ATOM 618 NE ARG A 44 -7.683 -8.722 -3.197 1.00 0.00 N ATOM 619 CZ ARG A 44 -8.822 -8.411 -3.806 1.00 0.00 C ATOM 620 NH1 ARG A 44 -9.933 -8.255 -3.101 1.00 0.00 N ATOM 621 NH2 ARG A 44 -8.849 -8.256 -5.124 1.00 0.00 N ATOM 0 H ARG A 44 -4.839 -4.560 0.541 1.00 0.00 H new ATOM 0 HA ARG A 44 -6.520 -5.033 -1.700 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -5.618 -7.276 -1.693 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -5.763 -7.399 0.049 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -8.060 -7.748 -0.017 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -8.263 -6.892 -1.532 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -6.625 -9.417 -1.530 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -8.368 -9.559 -1.404 1.00 0.00 H new ATOM 0 HE ARG A 44 -6.846 -8.836 -3.769 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -9.915 -8.374 -2.088 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -10.806 -8.016 -3.571 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -7.995 -8.376 -5.669 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -9.723 -8.017 -5.592 1.00 0.00 H new ATOM 635 N ALA A 45 -8.523 -4.910 -0.121 1.00 0.00 N ATOM 636 CA ALA A 45 -9.599 -4.499 0.772 1.00 0.00 C ATOM 637 C ALA A 45 -9.427 -5.111 2.158 1.00 0.00 C ATOM 638 O ALA A 45 -9.443 -6.331 2.314 1.00 0.00 O ATOM 639 CB ALA A 45 -10.949 -4.886 0.186 1.00 0.00 C ATOM 0 H ALA A 45 -8.819 -5.104 -1.078 1.00 0.00 H new ATOM 0 HA ALA A 45 -9.557 -3.415 0.875 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -11.743 -4.573 0.864 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -11.081 -4.396 -0.779 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -10.991 -5.967 0.053 1.00 0.00 H new ATOM 732 N GLN A 53 -3.153 -7.741 -3.982 1.00 0.00 N ATOM 733 CA GLN A 53 -2.518 -7.202 -5.179 1.00 0.00 C ATOM 734 C GLN A 53 -1.009 -7.418 -5.138 1.00 0.00 C ATOM 735 O GLN A 53 -0.435 -7.656 -4.075 1.00 0.00 O ATOM 736 CB GLN A 53 -2.828 -5.711 -5.319 1.00 0.00 C ATOM 737 CG GLN A 53 -4.308 -5.411 -5.490 1.00 0.00 C ATOM 738 CD GLN A 53 -4.742 -5.424 -6.943 1.00 0.00 C ATOM 739 OE1 GLN A 53 -4.065 -4.870 -7.810 1.00 0.00 O ATOM 740 NE2 GLN A 53 -5.876 -6.058 -7.217 1.00 0.00 N ATOM 0 HA GLN A 53 -2.919 -7.732 -6.043 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -2.459 -5.187 -4.437 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -2.284 -5.314 -6.176 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -4.890 -6.146 -4.934 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -4.529 -4.435 -5.057 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -6.405 -6.503 -6.467 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -6.218 -6.100 -8.177 1.00 0.00 H new ATOM 749 N GLU A 54 -0.372 -7.334 -6.302 1.00 0.00 N ATOM 750 CA GLU A 54 1.071 -7.521 -6.398 1.00 0.00 C ATOM 751 C GLU A 54 1.701 -6.450 -7.284 1.00 0.00 C ATOM 752 O GLU A 54 1.236 -6.195 -8.394 1.00 0.00 O ATOM 753 CB GLU A 54 1.392 -8.911 -6.952 1.00 0.00 C ATOM 754 CG GLU A 54 2.879 -9.215 -7.011 1.00 0.00 C ATOM 755 CD GLU A 54 3.167 -10.636 -7.454 1.00 0.00 C ATOM 756 OE1 GLU A 54 2.476 -11.559 -6.975 1.00 0.00 O ATOM 757 OE2 GLU A 54 4.084 -10.825 -8.281 1.00 0.00 O ATOM 0 H GLU A 54 -0.832 -7.138 -7.191 1.00 0.00 H new ATOM 0 HA GLU A 54 1.490 -7.432 -5.396 1.00 0.00 H new ATOM 0 HB2 GLU A 54 0.901 -9.662 -6.333 1.00 0.00 H new ATOM 0 HB3 GLU A 54 0.972 -8.999 -7.954 1.00 0.00 H new ATOM 0 HG2 GLU A 54 3.361 -8.520 -7.698 1.00 0.00 H new ATOM 0 HG3 GLU A 54 3.319 -9.049 -6.028 1.00 0.00 H new ATOM 764 N VAL A 55 2.763 -5.827 -6.784 1.00 0.00 N ATOM 765 CA VAL A 55 3.458 -4.784 -7.529 1.00 0.00 C ATOM 766 C VAL A 55 4.967 -5.001 -7.501 1.00 0.00 C ATOM 767 O VAL A 55 5.561 -5.164 -6.435 1.00 0.00 O ATOM 768 CB VAL A 55 3.142 -3.386 -6.966 1.00 0.00 C ATOM 769 CG1 VAL A 55 3.905 -2.316 -7.731 1.00 0.00 C ATOM 770 CG2 VAL A 55 1.644 -3.120 -7.012 1.00 0.00 C ATOM 0 H VAL A 55 3.161 -6.026 -5.866 1.00 0.00 H new ATOM 0 HA VAL A 55 3.104 -4.842 -8.558 1.00 0.00 H new ATOM 0 HB VAL A 55 3.463 -3.352 -5.925 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.668 -1.335 -7.318 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.976 -2.499 -7.642 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.618 -2.346 -8.782 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.438 -2.128 -6.610 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.297 -3.173 -8.044 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.123 -3.868 -6.415 1.00 0.00 H new ATOM 780 N ASP A 56 5.581 -5.002 -8.679 1.00 0.00 N ATOM 781 CA ASP A 56 7.022 -5.197 -8.790 1.00 0.00 C ATOM 782 C ASP A 56 7.655 -4.102 -9.642 1.00 0.00 C ATOM 783 O ASP A 56 7.062 -3.637 -10.615 1.00 0.00 O ATOM 784 CB ASP A 56 7.327 -6.570 -9.392 1.00 0.00 C ATOM 785 CG ASP A 56 6.685 -6.761 -10.752 1.00 0.00 C ATOM 786 OD1 ASP A 56 5.469 -7.041 -10.800 1.00 0.00 O ATOM 787 OD2 ASP A 56 7.398 -6.628 -11.769 1.00 0.00 O ATOM 0 H ASP A 56 5.103 -4.870 -9.571 1.00 0.00 H new ATOM 0 HA ASP A 56 7.449 -5.145 -7.789 1.00 0.00 H new ATOM 0 HB2 ASP A 56 8.406 -6.692 -9.483 1.00 0.00 H new ATOM 0 HB3 ASP A 56 6.974 -7.347 -8.714 1.00 0.00 H new ATOM 792 N GLY A 57 8.864 -3.692 -9.268 1.00 0.00 N ATOM 793 CA GLY A 57 9.556 -2.654 -10.008 1.00 0.00 C ATOM 794 C GLY A 57 9.667 -1.360 -9.226 1.00 0.00 C ATOM 795 O GLY A 57 9.510 -0.274 -9.783 1.00 0.00 O ATOM 0 H GLY A 57 9.376 -4.060 -8.466 1.00 0.00 H new ATOM 0 HA2 GLY A 57 10.555 -3.003 -10.270 1.00 0.00 H new ATOM 0 HA3 GLY A 57 9.029 -2.466 -10.943 1.00 0.00 H new ATOM 799 N VAL A 58 9.936 -1.476 -7.929 1.00 0.00 N ATOM 800 CA VAL A 58 10.067 -0.306 -7.068 1.00 0.00 C ATOM 801 C VAL A 58 11.478 -0.196 -6.501 1.00 0.00 C ATOM 802 O VAL A 58 11.779 -0.753 -5.446 1.00 0.00 O ATOM 803 CB VAL A 58 9.060 -0.351 -5.904 1.00 0.00 C ATOM 804 CG1 VAL A 58 9.148 0.919 -5.072 1.00 0.00 C ATOM 805 CG2 VAL A 58 7.647 -0.557 -6.429 1.00 0.00 C ATOM 0 H VAL A 58 10.067 -2.368 -7.452 1.00 0.00 H new ATOM 0 HA VAL A 58 9.858 0.567 -7.686 1.00 0.00 H new ATOM 0 HB VAL A 58 9.311 -1.195 -5.262 1.00 0.00 H new ATOM 0 HG11 VAL A 58 8.429 0.869 -4.254 1.00 0.00 H new ATOM 0 HG12 VAL A 58 10.154 1.018 -4.665 1.00 0.00 H new ATOM 0 HG13 VAL A 58 8.924 1.781 -5.700 1.00 0.00 H new ATOM 0 HG21 VAL A 58 6.949 -0.586 -5.593 1.00 0.00 H new ATOM 0 HG22 VAL A 58 7.382 0.265 -7.094 1.00 0.00 H new ATOM 0 HG23 VAL A 58 7.596 -1.498 -6.977 1.00 0.00 H new ATOM 815 N ALA A 59 12.339 0.527 -7.209 1.00 0.00 N ATOM 816 CA ALA A 59 13.719 0.713 -6.776 1.00 0.00 C ATOM 817 C ALA A 59 13.850 1.935 -5.873 1.00 0.00 C ATOM 818 O ALA A 59 14.895 2.586 -5.840 1.00 0.00 O ATOM 819 CB ALA A 59 14.638 0.843 -7.981 1.00 0.00 C ATOM 0 H ALA A 59 12.106 0.994 -8.085 1.00 0.00 H new ATOM 0 HA ALA A 59 14.015 -0.165 -6.201 1.00 0.00 H new ATOM 0 HB1 ALA A 59 15.665 0.981 -7.642 1.00 0.00 H new ATOM 0 HB2 ALA A 59 14.574 -0.061 -8.586 1.00 0.00 H new ATOM 0 HB3 ALA A 59 14.334 1.702 -8.579 1.00 0.00 H new ATOM 825 N THR A 60 12.783 2.244 -5.143 1.00 0.00 N ATOM 826 CA THR A 60 12.779 3.389 -4.241 1.00 0.00 C ATOM 827 C THR A 60 12.202 3.016 -2.881 1.00 0.00 C ATOM 828 O THR A 60 11.510 2.007 -2.743 1.00 0.00 O ATOM 829 CB THR A 60 11.968 4.561 -4.826 1.00 0.00 C ATOM 830 OG1 THR A 60 10.754 4.075 -5.409 1.00 0.00 O ATOM 831 CG2 THR A 60 12.777 5.308 -5.876 1.00 0.00 C ATOM 0 H THR A 60 11.910 1.717 -5.159 1.00 0.00 H new ATOM 0 HA THR A 60 13.817 3.699 -4.119 1.00 0.00 H new ATOM 0 HB THR A 60 11.730 5.249 -4.015 1.00 0.00 H new ATOM 0 HG1 THR A 60 9.998 4.301 -4.827 1.00 0.00 H new ATOM 0 HG21 THR A 60 12.184 6.131 -6.275 1.00 0.00 H new ATOM 0 HG22 THR A 60 13.686 5.702 -5.422 1.00 0.00 H new ATOM 0 HG23 THR A 60 13.041 4.626 -6.684 1.00 0.00 H new ATOM 839 N THR A 61 12.490 3.837 -1.875 1.00 0.00 N ATOM 840 CA THR A 61 12.000 3.592 -0.525 1.00 0.00 C ATOM 841 C THR A 61 10.619 4.204 -0.322 1.00 0.00 C ATOM 842 O THR A 61 10.124 4.283 0.802 1.00 0.00 O ATOM 843 CB THR A 61 12.963 4.163 0.534 1.00 0.00 C ATOM 844 OG1 THR A 61 13.263 5.532 0.236 1.00 0.00 O ATOM 845 CG2 THR A 61 14.251 3.356 0.585 1.00 0.00 C ATOM 0 H THR A 61 13.060 4.677 -1.971 1.00 0.00 H new ATOM 0 HA THR A 61 11.937 2.511 -0.403 1.00 0.00 H new ATOM 0 HB THR A 61 12.476 4.102 1.507 1.00 0.00 H new ATOM 0 HG1 THR A 61 13.874 5.888 0.914 1.00 0.00 H new ATOM 0 HG21 THR A 61 14.915 3.778 1.340 1.00 0.00 H new ATOM 0 HG22 THR A 61 14.022 2.321 0.840 1.00 0.00 H new ATOM 0 HG23 THR A 61 14.740 3.390 -0.388 1.00 0.00 H new ATOM 853 N ARG A 62 10.001 4.636 -1.417 1.00 0.00 N ATOM 854 CA ARG A 62 8.676 5.241 -1.358 1.00 0.00 C ATOM 855 C ARG A 62 7.861 4.887 -2.598 1.00 0.00 C ATOM 856 O ARG A 62 8.409 4.733 -3.690 1.00 0.00 O ATOM 857 CB ARG A 62 8.792 6.761 -1.229 1.00 0.00 C ATOM 858 CG ARG A 62 8.844 7.247 0.211 1.00 0.00 C ATOM 859 CD ARG A 62 8.959 8.762 0.283 1.00 0.00 C ATOM 860 NE ARG A 62 10.351 9.206 0.295 1.00 0.00 N ATOM 861 CZ ARG A 62 10.735 10.430 -0.049 1.00 0.00 C ATOM 862 NH1 ARG A 62 9.837 11.327 -0.432 1.00 0.00 N ATOM 863 NH2 ARG A 62 12.020 10.758 -0.012 1.00 0.00 N ATOM 0 H ARG A 62 10.397 4.578 -2.355 1.00 0.00 H new ATOM 0 HA ARG A 62 8.162 4.846 -0.481 1.00 0.00 H new ATOM 0 HB2 ARG A 62 9.690 7.094 -1.749 1.00 0.00 H new ATOM 0 HB3 ARG A 62 7.943 7.226 -1.730 1.00 0.00 H new ATOM 0 HG2 ARG A 62 7.946 6.924 0.738 1.00 0.00 H new ATOM 0 HG3 ARG A 62 9.694 6.792 0.720 1.00 0.00 H new ATOM 0 HD2 ARG A 62 8.445 9.205 -0.570 1.00 0.00 H new ATOM 0 HD3 ARG A 62 8.456 9.121 1.181 1.00 0.00 H new ATOM 0 HE ARG A 62 11.067 8.539 0.583 1.00 0.00 H new ATOM 0 HH11 ARG A 62 8.848 11.078 -0.463 1.00 0.00 H new ATOM 0 HH12 ARG A 62 10.135 12.266 -0.696 1.00 0.00 H new ATOM 0 HH21 ARG A 62 12.714 10.070 0.281 1.00 0.00 H new ATOM 0 HH22 ARG A 62 12.314 11.698 -0.276 1.00 0.00 H new ATOM 877 N TYR A 63 6.551 4.758 -2.422 1.00 0.00 N ATOM 878 CA TYR A 63 5.661 4.419 -3.525 1.00 0.00 C ATOM 879 C TYR A 63 4.223 4.819 -3.208 1.00 0.00 C ATOM 880 O TYR A 63 3.822 4.867 -2.046 1.00 0.00 O ATOM 881 CB TYR A 63 5.731 2.920 -3.823 1.00 0.00 C ATOM 882 CG TYR A 63 4.779 2.473 -4.909 1.00 0.00 C ATOM 883 CD1 TYR A 63 5.112 2.609 -6.251 1.00 0.00 C ATOM 884 CD2 TYR A 63 3.546 1.915 -4.593 1.00 0.00 C ATOM 885 CE1 TYR A 63 4.245 2.203 -7.247 1.00 0.00 C ATOM 886 CE2 TYR A 63 2.674 1.504 -5.583 1.00 0.00 C ATOM 887 CZ TYR A 63 3.028 1.650 -6.908 1.00 0.00 C ATOM 888 OH TYR A 63 2.161 1.244 -7.896 1.00 0.00 O ATOM 0 H TYR A 63 6.082 4.883 -1.525 1.00 0.00 H new ATOM 0 HA TYR A 63 5.988 4.973 -4.405 1.00 0.00 H new ATOM 0 HB2 TYR A 63 6.749 2.664 -4.116 1.00 0.00 H new ATOM 0 HB3 TYR A 63 5.513 2.366 -2.910 1.00 0.00 H new ATOM 0 HD1 TYR A 63 6.065 3.040 -6.520 1.00 0.00 H new ATOM 0 HD2 TYR A 63 3.265 1.801 -3.557 1.00 0.00 H new ATOM 0 HE1 TYR A 63 4.519 2.318 -8.285 1.00 0.00 H new ATOM 0 HE2 TYR A 63 1.720 1.071 -5.321 1.00 0.00 H new ATOM 0 HH TYR A 63 1.350 0.876 -7.488 1.00 0.00 H new ATOM 898 N SER A 64 3.451 5.105 -4.252 1.00 0.00 N ATOM 899 CA SER A 64 2.059 5.504 -4.087 1.00 0.00 C ATOM 900 C SER A 64 1.122 4.494 -4.743 1.00 0.00 C ATOM 901 O SER A 64 1.353 4.059 -5.872 1.00 0.00 O ATOM 902 CB SER A 64 1.829 6.893 -4.686 1.00 0.00 C ATOM 903 OG SER A 64 1.663 6.821 -6.091 1.00 0.00 O ATOM 0 H SER A 64 3.767 5.068 -5.221 1.00 0.00 H new ATOM 0 HA SER A 64 1.841 5.536 -3.019 1.00 0.00 H new ATOM 0 HB2 SER A 64 0.946 7.345 -4.235 1.00 0.00 H new ATOM 0 HB3 SER A 64 2.674 7.539 -4.449 1.00 0.00 H new ATOM 0 HG SER A 64 1.516 7.721 -6.450 1.00 0.00 H new ATOM 909 N ILE A 65 0.065 4.125 -4.028 1.00 0.00 N ATOM 910 CA ILE A 65 -0.907 3.167 -4.540 1.00 0.00 C ATOM 911 C ILE A 65 -2.126 3.877 -5.118 1.00 0.00 C ATOM 912 O ILE A 65 -2.553 4.913 -4.610 1.00 0.00 O ATOM 913 CB ILE A 65 -1.368 2.191 -3.442 1.00 0.00 C ATOM 914 CG1 ILE A 65 -0.171 1.428 -2.871 1.00 0.00 C ATOM 915 CG2 ILE A 65 -2.405 1.224 -3.994 1.00 0.00 C ATOM 916 CD1 ILE A 65 0.552 2.173 -1.771 1.00 0.00 C ATOM 0 H ILE A 65 -0.140 4.475 -3.092 1.00 0.00 H new ATOM 0 HA ILE A 65 -0.409 2.604 -5.329 1.00 0.00 H new ATOM 0 HB ILE A 65 -1.827 2.764 -2.637 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -0.513 0.468 -2.484 1.00 0.00 H new ATOM 0 HG13 ILE A 65 0.531 1.215 -3.677 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -2.721 0.541 -3.206 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -3.267 1.783 -4.357 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -1.970 0.654 -4.815 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.389 1.573 -1.414 1.00 0.00 H new ATOM 0 HD12 ILE A 65 0.925 3.121 -2.158 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -0.136 2.363 -0.947 1.00 0.00 H new ATOM 928 N GLY A 66 -2.684 3.311 -6.184 1.00 0.00 N ATOM 929 CA GLY A 66 -3.850 3.902 -6.814 1.00 0.00 C ATOM 930 C GLY A 66 -4.868 2.864 -7.241 1.00 0.00 C ATOM 931 O GLY A 66 -4.525 1.703 -7.462 1.00 0.00 O ATOM 0 H GLY A 66 -2.349 2.453 -6.623 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -4.318 4.601 -6.121 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -3.536 4.478 -7.685 1.00 0.00 H new ATOM 935 N GLY A 67 -6.125 3.281 -7.356 1.00 0.00 N ATOM 936 CA GLY A 67 -7.177 2.365 -7.757 1.00 0.00 C ATOM 937 C GLY A 67 -7.925 1.786 -6.572 1.00 0.00 C ATOM 938 O GLY A 67 -8.274 0.605 -6.566 1.00 0.00 O ATOM 0 H GLY A 67 -6.434 4.237 -7.179 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -7.880 2.886 -8.407 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -6.744 1.553 -8.341 1.00 0.00 H new ATOM 942 N LEU A 68 -8.169 2.618 -5.565 1.00 0.00 N ATOM 943 CA LEU A 68 -8.879 2.181 -4.368 1.00 0.00 C ATOM 944 C LEU A 68 -10.232 2.876 -4.253 1.00 0.00 C ATOM 945 O LEU A 68 -10.560 3.754 -5.051 1.00 0.00 O ATOM 946 CB LEU A 68 -8.039 2.466 -3.121 1.00 0.00 C ATOM 947 CG LEU A 68 -6.628 1.877 -3.113 1.00 0.00 C ATOM 948 CD1 LEU A 68 -5.828 2.424 -1.941 1.00 0.00 C ATOM 949 CD2 LEU A 68 -6.685 0.357 -3.060 1.00 0.00 C ATOM 0 H LEU A 68 -7.886 3.598 -5.554 1.00 0.00 H new ATOM 0 HA LEU A 68 -9.049 1.107 -4.447 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -7.961 3.546 -2.999 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -8.575 2.085 -2.252 1.00 0.00 H new ATOM 0 HG LEU A 68 -6.127 2.170 -4.036 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.827 1.994 -1.952 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.758 3.509 -2.023 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -6.325 2.162 -1.007 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -5.672 -0.045 -3.055 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -7.204 0.044 -2.154 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -7.220 -0.018 -3.933 1.00 0.00 H new ATOM 961 N SER A 69 -11.013 2.478 -3.253 1.00 0.00 N ATOM 962 CA SER A 69 -12.331 3.061 -3.035 1.00 0.00 C ATOM 963 C SER A 69 -12.264 4.185 -2.005 1.00 0.00 C ATOM 964 O SER A 69 -11.510 4.128 -1.034 1.00 0.00 O ATOM 965 CB SER A 69 -13.317 1.987 -2.571 1.00 0.00 C ATOM 966 OG SER A 69 -14.601 2.540 -2.337 1.00 0.00 O ATOM 0 H SER A 69 -10.755 1.755 -2.582 1.00 0.00 H new ATOM 0 HA SER A 69 -12.678 3.478 -3.981 1.00 0.00 H new ATOM 0 HB2 SER A 69 -13.387 1.203 -3.325 1.00 0.00 H new ATOM 0 HB3 SER A 69 -12.947 1.519 -1.659 1.00 0.00 H new ATOM 0 HG SER A 69 -15.213 1.833 -2.043 1.00 0.00 H new ATOM 972 N PRO A 70 -13.073 5.233 -2.221 1.00 0.00 N ATOM 973 CA PRO A 70 -13.125 6.391 -1.324 1.00 0.00 C ATOM 974 C PRO A 70 -13.760 6.054 0.021 1.00 0.00 C ATOM 975 O PRO A 70 -14.829 5.446 0.079 1.00 0.00 O ATOM 976 CB PRO A 70 -13.994 7.394 -2.088 1.00 0.00 C ATOM 977 CG PRO A 70 -14.841 6.556 -2.982 1.00 0.00 C ATOM 978 CD PRO A 70 -13.999 5.369 -3.358 1.00 0.00 C ATOM 0 HA PRO A 70 -12.130 6.765 -1.084 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -14.604 7.989 -1.408 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -13.383 8.092 -2.661 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -15.753 6.242 -2.474 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -15.145 7.115 -3.867 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -14.605 4.473 -3.492 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -13.465 5.535 -4.293 1.00 0.00 H new ATOM 986 N PHE A 71 -13.095 6.453 1.100 1.00 0.00 N ATOM 987 CA PHE A 71 -13.595 6.192 2.445 1.00 0.00 C ATOM 988 C PHE A 71 -13.598 4.696 2.744 1.00 0.00 C ATOM 989 O PHE A 71 -14.565 4.162 3.287 1.00 0.00 O ATOM 990 CB PHE A 71 -15.007 6.759 2.607 1.00 0.00 C ATOM 991 CG PHE A 71 -15.382 7.035 4.035 1.00 0.00 C ATOM 992 CD1 PHE A 71 -14.687 7.975 4.778 1.00 0.00 C ATOM 993 CD2 PHE A 71 -16.431 6.356 4.633 1.00 0.00 C ATOM 994 CE1 PHE A 71 -15.029 8.231 6.092 1.00 0.00 C ATOM 995 CE2 PHE A 71 -16.779 6.608 5.947 1.00 0.00 C ATOM 996 CZ PHE A 71 -16.078 7.548 6.677 1.00 0.00 C ATOM 0 H PHE A 71 -12.209 6.958 1.070 1.00 0.00 H new ATOM 0 HA PHE A 71 -12.930 6.685 3.154 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -15.087 7.683 2.034 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -15.723 6.056 2.181 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -13.868 8.514 4.325 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -16.983 5.621 4.066 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -14.477 8.964 6.661 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -17.598 6.071 6.402 1.00 0.00 H new ATOM 0 HZ PHE A 71 -16.349 7.749 7.703 1.00 0.00 H new ATOM 1006 N SER A 72 -12.509 4.024 2.384 1.00 0.00 N ATOM 1007 CA SER A 72 -12.387 2.589 2.609 1.00 0.00 C ATOM 1008 C SER A 72 -11.108 2.266 3.375 1.00 0.00 C ATOM 1009 O SER A 72 -10.231 3.116 3.526 1.00 0.00 O ATOM 1010 CB SER A 72 -12.398 1.840 1.275 1.00 0.00 C ATOM 1011 OG SER A 72 -11.262 2.170 0.495 1.00 0.00 O ATOM 0 H SER A 72 -11.699 4.451 1.935 1.00 0.00 H new ATOM 0 HA SER A 72 -13.239 2.266 3.207 1.00 0.00 H new ATOM 0 HB2 SER A 72 -12.418 0.766 1.458 1.00 0.00 H new ATOM 0 HB3 SER A 72 -13.305 2.086 0.724 1.00 0.00 H new ATOM 0 HG SER A 72 -11.312 3.111 0.226 1.00 0.00 H new ATOM 1017 N GLU A 73 -11.010 1.031 3.857 1.00 0.00 N ATOM 1018 CA GLU A 73 -9.839 0.595 4.609 1.00 0.00 C ATOM 1019 C GLU A 73 -9.070 -0.478 3.845 1.00 0.00 C ATOM 1020 O GLU A 73 -9.625 -1.514 3.479 1.00 0.00 O ATOM 1021 CB GLU A 73 -10.256 0.060 5.981 1.00 0.00 C ATOM 1022 CG GLU A 73 -9.193 0.235 7.052 1.00 0.00 C ATOM 1023 CD GLU A 73 -9.649 -0.255 8.412 1.00 0.00 C ATOM 1024 OE1 GLU A 73 -10.502 -1.165 8.460 1.00 0.00 O ATOM 1025 OE2 GLU A 73 -9.152 0.273 9.429 1.00 0.00 O ATOM 0 H GLU A 73 -11.727 0.315 3.740 1.00 0.00 H new ATOM 0 HA GLU A 73 -9.186 1.457 4.746 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -11.166 0.568 6.298 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -10.497 -0.999 5.890 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -8.294 -0.306 6.758 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -8.923 1.289 7.122 1.00 0.00 H new ATOM 1032 N TYR A 74 -7.788 -0.222 3.606 1.00 0.00 N ATOM 1033 CA TYR A 74 -6.942 -1.163 2.882 1.00 0.00 C ATOM 1034 C TYR A 74 -5.651 -1.435 3.647 1.00 0.00 C ATOM 1035 O TYR A 74 -5.141 -0.566 4.354 1.00 0.00 O ATOM 1036 CB TYR A 74 -6.618 -0.623 1.488 1.00 0.00 C ATOM 1037 CG TYR A 74 -7.672 -0.948 0.453 1.00 0.00 C ATOM 1038 CD1 TYR A 74 -8.803 -0.153 0.312 1.00 0.00 C ATOM 1039 CD2 TYR A 74 -7.536 -2.049 -0.383 1.00 0.00 C ATOM 1040 CE1 TYR A 74 -9.768 -0.446 -0.632 1.00 0.00 C ATOM 1041 CE2 TYR A 74 -8.496 -2.349 -1.331 1.00 0.00 C ATOM 1042 CZ TYR A 74 -9.610 -1.545 -1.451 1.00 0.00 C ATOM 1043 OH TYR A 74 -10.569 -1.841 -2.393 1.00 0.00 O ATOM 0 H TYR A 74 -7.312 0.630 3.903 1.00 0.00 H new ATOM 0 HA TYR A 74 -7.489 -2.101 2.783 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -6.498 0.459 1.545 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -5.662 -1.033 1.162 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -8.930 0.708 0.951 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -6.665 -2.681 -0.291 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -10.641 0.182 -0.728 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -8.374 -3.208 -1.974 1.00 0.00 H new ATOM 0 HH TYR A 74 -10.305 -2.645 -2.887 1.00 0.00 H new ATOM 1053 N ALA A 75 -5.127 -2.648 3.500 1.00 0.00 N ATOM 1054 CA ALA A 75 -3.894 -3.034 4.174 1.00 0.00 C ATOM 1055 C ALA A 75 -2.712 -3.011 3.211 1.00 0.00 C ATOM 1056 O ALA A 75 -2.813 -3.475 2.076 1.00 0.00 O ATOM 1057 CB ALA A 75 -4.043 -4.415 4.796 1.00 0.00 C ATOM 0 H ALA A 75 -5.538 -3.380 2.920 1.00 0.00 H new ATOM 0 HA ALA A 75 -3.699 -2.310 4.965 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -3.115 -4.691 5.296 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -4.856 -4.401 5.522 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -4.265 -5.143 4.016 1.00 0.00 H new ATOM 1063 N PHE A 76 -1.590 -2.466 3.672 1.00 0.00 N ATOM 1064 CA PHE A 76 -0.388 -2.381 2.851 1.00 0.00 C ATOM 1065 C PHE A 76 0.767 -3.140 3.497 1.00 0.00 C ATOM 1066 O PHE A 76 0.815 -3.298 4.717 1.00 0.00 O ATOM 1067 CB PHE A 76 0.005 -0.917 2.637 1.00 0.00 C ATOM 1068 CG PHE A 76 -1.092 -0.083 2.040 1.00 0.00 C ATOM 1069 CD1 PHE A 76 -1.255 -0.009 0.666 1.00 0.00 C ATOM 1070 CD2 PHE A 76 -1.960 0.628 2.853 1.00 0.00 C ATOM 1071 CE1 PHE A 76 -2.264 0.757 0.113 1.00 0.00 C ATOM 1072 CE2 PHE A 76 -2.971 1.395 2.306 1.00 0.00 C ATOM 1073 CZ PHE A 76 -3.123 1.461 0.935 1.00 0.00 C ATOM 0 H PHE A 76 -1.489 -2.077 4.609 1.00 0.00 H new ATOM 0 HA PHE A 76 -0.604 -2.838 1.885 1.00 0.00 H new ATOM 0 HB2 PHE A 76 0.300 -0.485 3.593 1.00 0.00 H new ATOM 0 HB3 PHE A 76 0.878 -0.875 1.986 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -0.585 -0.557 0.019 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -1.845 0.582 3.926 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -2.381 0.805 -0.960 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -3.642 1.943 2.951 1.00 0.00 H new ATOM 0 HZ PHE A 76 -3.912 2.062 0.506 1.00 0.00 H new ATOM 1083 N ARG A 77 1.695 -3.608 2.670 1.00 0.00 N ATOM 1084 CA ARG A 77 2.849 -4.353 3.159 1.00 0.00 C ATOM 1085 C ARG A 77 3.949 -4.407 2.102 1.00 0.00 C ATOM 1086 O ARG A 77 3.724 -4.860 0.980 1.00 0.00 O ATOM 1087 CB ARG A 77 2.437 -5.771 3.555 1.00 0.00 C ATOM 1088 CG ARG A 77 1.631 -6.492 2.487 1.00 0.00 C ATOM 1089 CD ARG A 77 1.361 -7.938 2.874 1.00 0.00 C ATOM 1090 NE ARG A 77 2.410 -8.836 2.398 1.00 0.00 N ATOM 1091 CZ ARG A 77 2.277 -10.157 2.343 1.00 0.00 C ATOM 1092 NH1 ARG A 77 1.146 -10.730 2.732 1.00 0.00 N ATOM 1093 NH2 ARG A 77 3.276 -10.908 1.899 1.00 0.00 N ATOM 0 H ARG A 77 1.671 -3.485 1.658 1.00 0.00 H new ATOM 0 HA ARG A 77 3.238 -3.837 4.037 1.00 0.00 H new ATOM 0 HB2 ARG A 77 3.332 -6.352 3.776 1.00 0.00 H new ATOM 0 HB3 ARG A 77 1.851 -5.727 4.473 1.00 0.00 H new ATOM 0 HG2 ARG A 77 0.685 -5.973 2.331 1.00 0.00 H new ATOM 0 HG3 ARG A 77 2.171 -6.462 1.540 1.00 0.00 H new ATOM 0 HD2 ARG A 77 1.283 -8.015 3.958 1.00 0.00 H new ATOM 0 HD3 ARG A 77 0.401 -8.251 2.462 1.00 0.00 H new ATOM 0 HE ARG A 77 3.293 -8.427 2.091 1.00 0.00 H new ATOM 0 HH11 ARG A 77 0.375 -10.156 3.075 1.00 0.00 H new ATOM 0 HH12 ARG A 77 1.047 -11.744 2.689 1.00 0.00 H new ATOM 0 HH21 ARG A 77 4.148 -10.472 1.599 1.00 0.00 H new ATOM 0 HH22 ARG A 77 3.172 -11.922 1.857 1.00 0.00 H new ATOM 1107 N VAL A 78 5.139 -3.942 2.469 1.00 0.00 N ATOM 1108 CA VAL A 78 6.274 -3.938 1.553 1.00 0.00 C ATOM 1109 C VAL A 78 7.290 -5.010 1.933 1.00 0.00 C ATOM 1110 O VAL A 78 7.394 -5.397 3.098 1.00 0.00 O ATOM 1111 CB VAL A 78 6.974 -2.566 1.533 1.00 0.00 C ATOM 1112 CG1 VAL A 78 8.009 -2.512 0.420 1.00 0.00 C ATOM 1113 CG2 VAL A 78 5.952 -1.450 1.378 1.00 0.00 C ATOM 0 H VAL A 78 5.342 -3.563 3.394 1.00 0.00 H new ATOM 0 HA VAL A 78 5.880 -4.151 0.559 1.00 0.00 H new ATOM 0 HB VAL A 78 7.490 -2.425 2.483 1.00 0.00 H new ATOM 0 HG11 VAL A 78 8.494 -1.536 0.421 1.00 0.00 H new ATOM 0 HG12 VAL A 78 8.757 -3.288 0.581 1.00 0.00 H new ATOM 0 HG13 VAL A 78 7.519 -2.673 -0.540 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.463 -0.487 1.366 1.00 0.00 H new ATOM 0 HG22 VAL A 78 5.407 -1.583 0.444 1.00 0.00 H new ATOM 0 HG23 VAL A 78 5.253 -1.479 2.213 1.00 0.00 H new ATOM 1123 N LEU A 79 8.037 -5.485 0.944 1.00 0.00 N ATOM 1124 CA LEU A 79 9.047 -6.512 1.173 1.00 0.00 C ATOM 1125 C LEU A 79 10.252 -6.305 0.261 1.00 0.00 C ATOM 1126 O LEU A 79 10.113 -5.855 -0.875 1.00 0.00 O ATOM 1127 CB LEU A 79 8.451 -7.902 0.942 1.00 0.00 C ATOM 1128 CG LEU A 79 7.649 -8.082 -0.347 1.00 0.00 C ATOM 1129 CD1 LEU A 79 7.536 -9.556 -0.704 1.00 0.00 C ATOM 1130 CD2 LEU A 79 6.268 -7.458 -0.208 1.00 0.00 C ATOM 0 H LEU A 79 7.963 -5.176 -0.025 1.00 0.00 H new ATOM 0 HA LEU A 79 9.381 -6.434 2.208 1.00 0.00 H new ATOM 0 HB2 LEU A 79 9.263 -8.629 0.945 1.00 0.00 H new ATOM 0 HB3 LEU A 79 7.804 -8.143 1.786 1.00 0.00 H new ATOM 0 HG LEU A 79 8.176 -7.573 -1.154 1.00 0.00 H new ATOM 0 HD11 LEU A 79 6.962 -9.665 -1.624 1.00 0.00 H new ATOM 0 HD12 LEU A 79 8.533 -9.973 -0.847 1.00 0.00 H new ATOM 0 HD13 LEU A 79 7.032 -10.088 0.103 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.711 -7.596 -1.135 1.00 0.00 H new ATOM 0 HD22 LEU A 79 5.733 -7.938 0.611 1.00 0.00 H new ATOM 0 HD23 LEU A 79 6.369 -6.393 -0.001 1.00 0.00 H new ATOM 1142 N ALA A 80 11.435 -6.639 0.767 1.00 0.00 N ATOM 1143 CA ALA A 80 12.664 -6.493 -0.003 1.00 0.00 C ATOM 1144 C ALA A 80 12.888 -7.697 -0.912 1.00 0.00 C ATOM 1145 O ALA A 80 12.586 -8.832 -0.542 1.00 0.00 O ATOM 1146 CB ALA A 80 13.852 -6.305 0.929 1.00 0.00 C ATOM 0 H ALA A 80 11.568 -7.012 1.707 1.00 0.00 H new ATOM 0 HA ALA A 80 12.566 -5.608 -0.632 1.00 0.00 H new ATOM 0 HB1 ALA A 80 14.763 -6.197 0.340 1.00 0.00 H new ATOM 0 HB2 ALA A 80 13.702 -5.410 1.533 1.00 0.00 H new ATOM 0 HB3 ALA A 80 13.943 -7.173 1.582 1.00 0.00 H new ATOM 1152 N VAL A 81 13.419 -7.443 -2.104 1.00 0.00 N ATOM 1153 CA VAL A 81 13.684 -8.506 -3.065 1.00 0.00 C ATOM 1154 C VAL A 81 14.994 -8.263 -3.806 1.00 0.00 C ATOM 1155 O VAL A 81 15.254 -7.159 -4.282 1.00 0.00 O ATOM 1156 CB VAL A 81 12.542 -8.632 -4.092 1.00 0.00 C ATOM 1157 CG1 VAL A 81 12.675 -9.924 -4.883 1.00 0.00 C ATOM 1158 CG2 VAL A 81 11.191 -8.559 -3.396 1.00 0.00 C ATOM 0 H VAL A 81 13.674 -6.510 -2.427 1.00 0.00 H new ATOM 0 HA VAL A 81 13.757 -9.434 -2.498 1.00 0.00 H new ATOM 0 HB VAL A 81 12.611 -7.799 -4.791 1.00 0.00 H new ATOM 0 HG11 VAL A 81 11.860 -9.995 -5.603 1.00 0.00 H new ATOM 0 HG12 VAL A 81 13.628 -9.930 -5.412 1.00 0.00 H new ATOM 0 HG13 VAL A 81 12.633 -10.774 -4.202 1.00 0.00 H new ATOM 0 HG21 VAL A 81 10.395 -8.650 -4.136 1.00 0.00 H new ATOM 0 HG22 VAL A 81 11.109 -9.371 -2.674 1.00 0.00 H new ATOM 0 HG23 VAL A 81 11.099 -7.604 -2.879 1.00 0.00 H new ATOM 1168 N ASN A 82 15.816 -9.303 -3.900 1.00 0.00 N ATOM 1169 CA ASN A 82 17.100 -9.203 -4.584 1.00 0.00 C ATOM 1170 C ASN A 82 17.469 -10.527 -5.245 1.00 0.00 C ATOM 1171 O ASN A 82 16.729 -11.506 -5.153 1.00 0.00 O ATOM 1172 CB ASN A 82 18.195 -8.789 -3.598 1.00 0.00 C ATOM 1173 CG ASN A 82 18.858 -9.982 -2.937 1.00 0.00 C ATOM 1174 OD1 ASN A 82 19.790 -10.571 -3.484 1.00 0.00 O ATOM 1175 ND2 ASN A 82 18.378 -10.344 -1.752 1.00 0.00 N ATOM 0 H ASN A 82 15.616 -10.225 -3.511 1.00 0.00 H new ATOM 0 HA ASN A 82 17.012 -8.443 -5.360 1.00 0.00 H new ATOM 0 HB2 ASN A 82 18.949 -8.202 -4.122 1.00 0.00 H new ATOM 0 HB3 ASN A 82 17.765 -8.144 -2.831 1.00 0.00 H new ATOM 0 HD21 ASN A 82 18.784 -11.139 -1.259 1.00 0.00 H new ATOM 0 HD22 ASN A 82 17.604 -9.827 -1.336 1.00 0.00 H new ATOM 1182 N SER A 83 18.619 -10.549 -5.911 1.00 0.00 N ATOM 1183 CA SER A 83 19.086 -11.752 -6.591 1.00 0.00 C ATOM 1184 C SER A 83 18.670 -13.004 -5.825 1.00 0.00 C ATOM 1185 O SER A 83 18.216 -13.984 -6.416 1.00 0.00 O ATOM 1186 CB SER A 83 20.607 -11.717 -6.748 1.00 0.00 C ATOM 1187 OG SER A 83 20.983 -11.037 -7.932 1.00 0.00 O ATOM 0 H SER A 83 19.245 -9.748 -5.994 1.00 0.00 H new ATOM 0 HA SER A 83 18.627 -11.783 -7.579 1.00 0.00 H new ATOM 0 HB2 SER A 83 21.053 -11.224 -5.885 1.00 0.00 H new ATOM 0 HB3 SER A 83 20.997 -12.735 -6.770 1.00 0.00 H new ATOM 0 HG SER A 83 21.960 -11.027 -8.007 1.00 0.00 H new ATOM 1193 N ILE A 84 18.830 -12.964 -4.507 1.00 0.00 N ATOM 1194 CA ILE A 84 18.471 -14.094 -3.659 1.00 0.00 C ATOM 1195 C ILE A 84 16.991 -14.436 -3.797 1.00 0.00 C ATOM 1196 O ILE A 84 16.633 -15.550 -4.177 1.00 0.00 O ATOM 1197 CB ILE A 84 18.785 -13.810 -2.179 1.00 0.00 C ATOM 1198 CG1 ILE A 84 20.275 -13.512 -1.999 1.00 0.00 C ATOM 1199 CG2 ILE A 84 18.368 -14.989 -1.313 1.00 0.00 C ATOM 1200 CD1 ILE A 84 21.173 -14.666 -2.385 1.00 0.00 C ATOM 0 H ILE A 84 19.206 -12.161 -4.003 1.00 0.00 H new ATOM 0 HA ILE A 84 19.070 -14.941 -3.992 1.00 0.00 H new ATOM 0 HB ILE A 84 18.217 -12.934 -1.865 1.00 0.00 H new ATOM 0 HG12 ILE A 84 20.538 -12.641 -2.599 1.00 0.00 H new ATOM 0 HG13 ILE A 84 20.462 -13.250 -0.958 1.00 0.00 H new ATOM 0 HG21 ILE A 84 18.597 -14.773 -0.269 1.00 0.00 H new ATOM 0 HG22 ILE A 84 17.297 -15.160 -1.422 1.00 0.00 H new ATOM 0 HG23 ILE A 84 18.911 -15.881 -1.626 1.00 0.00 H new ATOM 0 HD11 ILE A 84 22.215 -14.384 -2.232 1.00 0.00 H new ATOM 0 HD12 ILE A 84 20.937 -15.533 -1.767 1.00 0.00 H new ATOM 0 HD13 ILE A 84 21.015 -14.915 -3.434 1.00 0.00 H new ATOM 1212 N GLY A 85 16.134 -13.468 -3.486 1.00 0.00 N ATOM 1213 CA GLY A 85 14.703 -13.686 -3.582 1.00 0.00 C ATOM 1214 C GLY A 85 13.908 -12.694 -2.755 1.00 0.00 C ATOM 1215 O GLY A 85 14.481 -11.833 -2.087 1.00 0.00 O ATOM 0 H GLY A 85 16.406 -12.537 -3.169 1.00 0.00 H new ATOM 0 HA2 GLY A 85 14.397 -13.612 -4.625 1.00 0.00 H new ATOM 0 HA3 GLY A 85 14.470 -14.698 -3.252 1.00 0.00 H new ATOM 1219 N ARG A 86 12.586 -12.814 -2.800 1.00 0.00 N ATOM 1220 CA ARG A 86 11.712 -11.919 -2.052 1.00 0.00 C ATOM 1221 C ARG A 86 11.616 -12.349 -0.591 1.00 0.00 C ATOM 1222 O ARG A 86 11.254 -13.485 -0.290 1.00 0.00 O ATOM 1223 CB ARG A 86 10.316 -11.892 -2.678 1.00 0.00 C ATOM 1224 CG ARG A 86 9.668 -13.263 -2.781 1.00 0.00 C ATOM 1225 CD ARG A 86 8.228 -13.163 -3.261 1.00 0.00 C ATOM 1226 NE ARG A 86 7.644 -14.478 -3.513 1.00 0.00 N ATOM 1227 CZ ARG A 86 6.358 -14.670 -3.788 1.00 0.00 C ATOM 1228 NH1 ARG A 86 5.528 -13.638 -3.845 1.00 0.00 N ATOM 1229 NH2 ARG A 86 5.901 -15.897 -4.005 1.00 0.00 N ATOM 0 H ARG A 86 12.096 -13.522 -3.347 1.00 0.00 H new ATOM 0 HA ARG A 86 12.140 -10.917 -2.092 1.00 0.00 H new ATOM 0 HB2 ARG A 86 9.674 -11.240 -2.086 1.00 0.00 H new ATOM 0 HB3 ARG A 86 10.382 -11.455 -3.674 1.00 0.00 H new ATOM 0 HG2 ARG A 86 10.240 -13.886 -3.469 1.00 0.00 H new ATOM 0 HG3 ARG A 86 9.695 -13.754 -1.808 1.00 0.00 H new ATOM 0 HD2 ARG A 86 7.632 -12.639 -2.514 1.00 0.00 H new ATOM 0 HD3 ARG A 86 8.190 -12.568 -4.174 1.00 0.00 H new ATOM 0 HE ARG A 86 8.256 -15.293 -3.476 1.00 0.00 H new ATOM 0 HH11 ARG A 86 5.876 -12.694 -3.678 1.00 0.00 H new ATOM 0 HH12 ARG A 86 4.541 -13.788 -4.056 1.00 0.00 H new ATOM 0 HH21 ARG A 86 6.537 -16.693 -3.961 1.00 0.00 H new ATOM 0 HH22 ARG A 86 4.914 -16.044 -4.216 1.00 0.00 H new ATOM 1243 N GLY A 87 11.945 -11.431 0.314 1.00 0.00 N ATOM 1244 CA GLY A 87 11.891 -11.734 1.732 1.00 0.00 C ATOM 1245 C GLY A 87 10.490 -11.610 2.298 1.00 0.00 C ATOM 1246 O GLY A 87 9.522 -11.381 1.572 1.00 0.00 O ATOM 0 H GLY A 87 12.248 -10.483 0.090 1.00 0.00 H new ATOM 0 HA2 GLY A 87 12.259 -12.747 1.898 1.00 0.00 H new ATOM 0 HA3 GLY A 87 12.558 -11.060 2.270 1.00 0.00 H new ATOM 1250 N PRO A 88 10.368 -11.764 3.625 1.00 0.00 N ATOM 1251 CA PRO A 88 9.080 -11.674 4.317 1.00 0.00 C ATOM 1252 C PRO A 88 8.529 -10.252 4.333 1.00 0.00 C ATOM 1253 O PRO A 88 9.274 -9.272 4.356 1.00 0.00 O ATOM 1254 CB PRO A 88 9.407 -12.136 5.739 1.00 0.00 C ATOM 1255 CG PRO A 88 10.858 -11.845 5.907 1.00 0.00 C ATOM 1256 CD PRO A 88 11.480 -12.039 4.551 1.00 0.00 C ATOM 0 HA PRO A 88 8.312 -12.272 3.826 1.00 0.00 H new ATOM 0 HB2 PRO A 88 8.808 -11.602 6.476 1.00 0.00 H new ATOM 0 HB3 PRO A 88 9.199 -13.198 5.868 1.00 0.00 H new ATOM 0 HG2 PRO A 88 11.013 -10.827 6.265 1.00 0.00 H new ATOM 0 HG3 PRO A 88 11.307 -12.513 6.642 1.00 0.00 H new ATOM 0 HD2 PRO A 88 12.315 -11.357 4.390 1.00 0.00 H new ATOM 0 HD3 PRO A 88 11.866 -13.051 4.427 1.00 0.00 H new ATOM 1264 N PRO A 89 7.193 -10.133 4.321 1.00 0.00 N ATOM 1265 CA PRO A 89 6.513 -8.835 4.335 1.00 0.00 C ATOM 1266 C PRO A 89 6.663 -8.116 5.672 1.00 0.00 C ATOM 1267 O PRO A 89 6.796 -8.752 6.718 1.00 0.00 O ATOM 1268 CB PRO A 89 5.048 -9.199 4.085 1.00 0.00 C ATOM 1269 CG PRO A 89 4.918 -10.602 4.568 1.00 0.00 C ATOM 1270 CD PRO A 89 6.243 -11.258 4.294 1.00 0.00 C ATOM 0 HA PRO A 89 6.928 -8.150 3.596 1.00 0.00 H new ATOM 0 HB2 PRO A 89 4.377 -8.531 4.624 1.00 0.00 H new ATOM 0 HB3 PRO A 89 4.795 -9.119 3.028 1.00 0.00 H new ATOM 0 HG2 PRO A 89 4.682 -10.628 5.632 1.00 0.00 H new ATOM 0 HG3 PRO A 89 4.111 -11.120 4.050 1.00 0.00 H new ATOM 0 HD2 PRO A 89 6.485 -12.006 5.049 1.00 0.00 H new ATOM 0 HD3 PRO A 89 6.248 -11.765 3.329 1.00 0.00 H new ATOM 1278 N SER A 90 6.640 -6.788 5.631 1.00 0.00 N ATOM 1279 CA SER A 90 6.777 -5.983 6.839 1.00 0.00 C ATOM 1280 C SER A 90 5.465 -5.946 7.618 1.00 0.00 C ATOM 1281 O SER A 90 4.428 -6.393 7.129 1.00 0.00 O ATOM 1282 CB SER A 90 7.212 -4.560 6.483 1.00 0.00 C ATOM 1283 OG SER A 90 7.165 -3.713 7.618 1.00 0.00 O ATOM 0 H SER A 90 6.528 -6.246 4.774 1.00 0.00 H new ATOM 0 HA SER A 90 7.540 -6.442 7.467 1.00 0.00 H new ATOM 0 HB2 SER A 90 8.224 -4.576 6.079 1.00 0.00 H new ATOM 0 HB3 SER A 90 6.564 -4.163 5.702 1.00 0.00 H new ATOM 0 HG SER A 90 8.046 -3.308 7.760 1.00 0.00 H new ATOM 1289 N GLU A 91 5.521 -5.410 8.833 1.00 0.00 N ATOM 1290 CA GLU A 91 4.339 -5.315 9.681 1.00 0.00 C ATOM 1291 C GLU A 91 3.175 -4.684 8.922 1.00 0.00 C ATOM 1292 O GLU A 91 3.063 -3.461 8.841 1.00 0.00 O ATOM 1293 CB GLU A 91 4.647 -4.495 10.936 1.00 0.00 C ATOM 1294 CG GLU A 91 5.463 -5.251 11.971 1.00 0.00 C ATOM 1295 CD GLU A 91 5.524 -4.532 13.304 1.00 0.00 C ATOM 1296 OE1 GLU A 91 4.491 -3.970 13.724 1.00 0.00 O ATOM 1297 OE2 GLU A 91 6.606 -4.531 13.928 1.00 0.00 O ATOM 0 H GLU A 91 6.372 -5.035 9.252 1.00 0.00 H new ATOM 0 HA GLU A 91 4.054 -6.325 9.977 1.00 0.00 H new ATOM 0 HB2 GLU A 91 5.187 -3.593 10.647 1.00 0.00 H new ATOM 0 HB3 GLU A 91 3.709 -4.173 11.389 1.00 0.00 H new ATOM 0 HG2 GLU A 91 5.031 -6.241 12.116 1.00 0.00 H new ATOM 0 HG3 GLU A 91 6.475 -5.397 11.594 1.00 0.00 H new ATOM 1304 N ALA A 92 2.311 -5.528 8.367 1.00 0.00 N ATOM 1305 CA ALA A 92 1.155 -5.055 7.616 1.00 0.00 C ATOM 1306 C ALA A 92 0.499 -3.865 8.310 1.00 0.00 C ATOM 1307 O ALA A 92 0.164 -3.931 9.493 1.00 0.00 O ATOM 1308 CB ALA A 92 0.148 -6.181 7.431 1.00 0.00 C ATOM 0 H ALA A 92 2.390 -6.543 8.424 1.00 0.00 H new ATOM 0 HA ALA A 92 1.500 -4.726 6.636 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -0.710 -5.813 6.868 1.00 0.00 H new ATOM 0 HB2 ALA A 92 0.615 -7.001 6.885 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -0.183 -6.537 8.407 1.00 0.00 H new ATOM 1314 N VAL A 93 0.320 -2.778 7.567 1.00 0.00 N ATOM 1315 CA VAL A 93 -0.296 -1.573 8.111 1.00 0.00 C ATOM 1316 C VAL A 93 -1.700 -1.373 7.551 1.00 0.00 C ATOM 1317 O VAL A 93 -2.082 -2.005 6.565 1.00 0.00 O ATOM 1318 CB VAL A 93 0.550 -0.323 7.804 1.00 0.00 C ATOM 1319 CG1 VAL A 93 1.906 -0.416 8.487 1.00 0.00 C ATOM 1320 CG2 VAL A 93 0.711 -0.144 6.302 1.00 0.00 C ATOM 0 H VAL A 93 0.593 -2.707 6.587 1.00 0.00 H new ATOM 0 HA VAL A 93 -0.354 -1.707 9.191 1.00 0.00 H new ATOM 0 HB VAL A 93 0.031 0.551 8.197 1.00 0.00 H new ATOM 0 HG11 VAL A 93 2.490 0.476 8.259 1.00 0.00 H new ATOM 0 HG12 VAL A 93 1.766 -0.492 9.565 1.00 0.00 H new ATOM 0 HG13 VAL A 93 2.435 -1.298 8.127 1.00 0.00 H new ATOM 0 HG21 VAL A 93 1.311 0.744 6.104 1.00 0.00 H new ATOM 0 HG22 VAL A 93 1.208 -1.019 5.882 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -0.270 -0.028 5.842 1.00 0.00 H new ATOM 1330 N ARG A 94 -2.464 -0.490 8.185 1.00 0.00 N ATOM 1331 CA ARG A 94 -3.827 -0.207 7.751 1.00 0.00 C ATOM 1332 C ARG A 94 -4.049 1.295 7.605 1.00 0.00 C ATOM 1333 O ARG A 94 -3.843 2.058 8.548 1.00 0.00 O ATOM 1334 CB ARG A 94 -4.833 -0.789 8.746 1.00 0.00 C ATOM 1335 CG ARG A 94 -5.128 -2.263 8.522 1.00 0.00 C ATOM 1336 CD ARG A 94 -6.454 -2.666 9.148 1.00 0.00 C ATOM 1337 NE ARG A 94 -6.474 -2.430 10.589 1.00 0.00 N ATOM 1338 CZ ARG A 94 -7.571 -2.512 11.332 1.00 0.00 C ATOM 1339 NH1 ARG A 94 -8.733 -2.823 10.773 1.00 0.00 N ATOM 1340 NH2 ARG A 94 -7.509 -2.283 12.638 1.00 0.00 N ATOM 0 H ARG A 94 -2.162 0.042 9.001 1.00 0.00 H new ATOM 0 HA ARG A 94 -3.977 -0.675 6.778 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -4.451 -0.653 9.758 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -5.764 -0.227 8.679 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -5.150 -2.472 7.453 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -4.325 -2.865 8.948 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -7.262 -2.105 8.678 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -6.642 -3.721 8.951 1.00 0.00 H new ATOM 0 HE ARG A 94 -5.597 -2.189 11.050 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -8.785 -3.000 9.770 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -9.574 -2.885 11.346 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -6.618 -2.044 13.072 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -8.353 -2.346 13.208 1.00 0.00 H new ATOM 1354 N ALA A 95 -4.472 1.713 6.416 1.00 0.00 N ATOM 1355 CA ALA A 95 -4.724 3.123 6.147 1.00 0.00 C ATOM 1356 C ALA A 95 -6.053 3.315 5.424 1.00 0.00 C ATOM 1357 O ALA A 95 -6.283 2.732 4.364 1.00 0.00 O ATOM 1358 CB ALA A 95 -3.586 3.716 5.330 1.00 0.00 C ATOM 0 H ALA A 95 -4.647 1.095 5.624 1.00 0.00 H new ATOM 0 HA ALA A 95 -4.781 3.645 7.102 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -3.788 4.770 5.136 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -2.652 3.621 5.884 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -3.502 3.183 4.383 1.00 0.00 H new ATOM 1364 N ARG A 96 -6.924 4.134 6.004 1.00 0.00 N ATOM 1365 CA ARG A 96 -8.231 4.401 5.415 1.00 0.00 C ATOM 1366 C ARG A 96 -8.154 5.555 4.421 1.00 0.00 C ATOM 1367 O ARG A 96 -7.642 6.630 4.738 1.00 0.00 O ATOM 1368 CB ARG A 96 -9.251 4.722 6.509 1.00 0.00 C ATOM 1369 CG ARG A 96 -10.693 4.499 6.082 1.00 0.00 C ATOM 1370 CD ARG A 96 -11.665 4.855 7.195 1.00 0.00 C ATOM 1371 NE ARG A 96 -11.684 6.290 7.467 1.00 0.00 N ATOM 1372 CZ ARG A 96 -10.834 6.894 8.290 1.00 0.00 C ATOM 1373 NH1 ARG A 96 -9.901 6.190 8.918 1.00 0.00 N ATOM 1374 NH2 ARG A 96 -10.914 8.203 8.486 1.00 0.00 N ATOM 0 H ARG A 96 -6.748 4.624 6.881 1.00 0.00 H new ATOM 0 HA ARG A 96 -8.551 3.506 4.881 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -9.040 4.105 7.383 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -9.128 5.761 6.815 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -10.910 5.103 5.201 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -10.832 3.456 5.796 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -12.667 4.525 6.921 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -11.390 4.318 8.102 1.00 0.00 H new ATOM 0 HE ARG A 96 -12.389 6.860 6.999 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -9.835 5.183 8.769 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -9.249 6.656 9.549 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -11.629 8.748 8.004 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -10.260 8.665 9.118 1.00 0.00 H new ATOM 1388 N THR A 97 -8.666 5.327 3.215 1.00 0.00 N ATOM 1389 CA THR A 97 -8.654 6.347 2.174 1.00 0.00 C ATOM 1390 C THR A 97 -9.629 7.473 2.496 1.00 0.00 C ATOM 1391 O THR A 97 -10.591 7.281 3.239 1.00 0.00 O ATOM 1392 CB THR A 97 -9.011 5.750 0.799 1.00 0.00 C ATOM 1393 OG1 THR A 97 -10.321 5.174 0.841 1.00 0.00 O ATOM 1394 CG2 THR A 97 -7.999 4.691 0.389 1.00 0.00 C ATOM 0 H THR A 97 -9.094 4.444 2.936 1.00 0.00 H new ATOM 0 HA THR A 97 -7.641 6.748 2.136 1.00 0.00 H new ATOM 0 HB THR A 97 -8.991 6.553 0.062 1.00 0.00 H new ATOM 0 HG1 THR A 97 -10.639 5.017 -0.073 1.00 0.00 H new ATOM 0 HG21 THR A 97 -8.272 4.284 -0.585 1.00 0.00 H new ATOM 0 HG22 THR A 97 -7.007 5.139 0.330 1.00 0.00 H new ATOM 0 HG23 THR A 97 -7.991 3.890 1.128 1.00 0.00 H new ATOM 1402 N GLY A 98 -9.376 8.649 1.930 1.00 0.00 N ATOM 1403 CA GLY A 98 -10.242 9.789 2.169 1.00 0.00 C ATOM 1404 C GLY A 98 -11.566 9.673 1.441 1.00 0.00 C ATOM 1405 O GLY A 98 -11.749 8.784 0.611 1.00 0.00 O ATOM 0 H GLY A 98 -8.587 8.833 1.310 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -10.426 9.883 3.239 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -9.735 10.700 1.851 1.00 0.00 H new