USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 742 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 84 SER OG : rot 11:sc= 0 USER MOD Set 1.2: A 95 SER OG : rot -139:sc= -0.813 USER MOD Set 2.1: A 64 ASN : amide:sc= -0.486 X(o=-0.49,f=-0.00066) USER MOD Set 2.2: A 68 THR OG1 : rot 180:sc=-0.000662 USER MOD Set 2.3: A 70 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 60 ASN : amide:sc= -1.7 K(o=-2.4,f=-0.73) USER MOD Set 3.2: A 72 THR OG1 : rot 180:sc= -0.657 USER MOD Set 4.1: A 37 SER OG : rot 122:sc= 1.19 USER MOD Set 4.2: A 69 HIS : no HD1:sc= -3.04! K(o=-0.0031!,f=1.5) USER MOD Set 4.3: A 87 TYR OH : rot -81:sc= 1.85 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -3.03! C(o=-3!,f=-3.5!) USER MOD Single : A 32 SER OG : rot 180:sc= -0.0466 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0709) USER MOD Single : A 73 TYR OH : rot -3:sc= 0.276 USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.0652 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= -2.14 K(o=-2.1,f=-1.6!) USER MOD Single : A 81 TYR OH : rot 180:sc= -0.48 USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0241) USER MOD Single : A 100 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.0256) USER MOD Single : A 104 THR OG1 : rot -17:sc= -0.336 USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 82 N VAL A 9 1.675 20.566 4.601 1.00 0.00 N ATOM 83 CA VAL A 9 1.546 19.146 4.299 1.00 0.00 C ATOM 84 C VAL A 9 0.170 18.622 4.698 1.00 0.00 C ATOM 85 O VAL A 9 -0.334 18.930 5.778 1.00 0.00 O ATOM 86 CB VAL A 9 2.626 18.318 5.020 1.00 0.00 C ATOM 87 CG1 VAL A 9 2.362 16.830 4.847 1.00 0.00 C ATOM 88 CG2 VAL A 9 4.010 18.685 4.506 1.00 0.00 C ATOM 0 HA VAL A 9 1.675 19.039 3.222 1.00 0.00 H new ATOM 0 HB VAL A 9 2.586 18.549 6.085 1.00 0.00 H new ATOM 0 HG11 VAL A 9 3.135 16.261 5.363 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.387 16.582 5.267 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.374 16.579 3.786 1.00 0.00 H new ATOM 0 HG21 VAL A 9 4.761 18.090 5.026 1.00 0.00 H new ATOM 0 HG22 VAL A 9 4.066 18.484 3.436 1.00 0.00 H new ATOM 0 HG23 VAL A 9 4.196 19.744 4.687 1.00 0.00 H new ATOM 98 N ASP A 10 -0.433 17.831 3.817 1.00 0.00 N ATOM 99 CA ASP A 10 -1.750 17.262 4.077 1.00 0.00 C ATOM 100 C ASP A 10 -1.775 15.773 3.747 1.00 0.00 C ATOM 101 O ASP A 10 -1.964 15.370 2.600 1.00 0.00 O ATOM 102 CB ASP A 10 -2.816 17.995 3.261 1.00 0.00 C ATOM 103 CG ASP A 10 -4.174 17.980 3.934 1.00 0.00 C ATOM 104 OD1 ASP A 10 -4.219 17.849 5.175 1.00 0.00 O ATOM 105 OD2 ASP A 10 -5.192 18.097 3.220 1.00 0.00 O ATOM 0 H ASP A 10 -0.031 17.569 2.917 1.00 0.00 H new ATOM 0 HA ASP A 10 -1.967 17.384 5.138 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -2.503 19.027 3.104 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -2.897 17.534 2.277 1.00 0.00 H new ATOM 110 N PRO A 11 -1.578 14.935 4.776 1.00 0.00 N ATOM 111 CA PRO A 11 -1.573 13.477 4.620 1.00 0.00 C ATOM 112 C PRO A 11 -2.957 12.923 4.306 1.00 0.00 C ATOM 113 O PRO A 11 -3.126 11.719 4.114 1.00 0.00 O ATOM 114 CB PRO A 11 -1.092 12.977 5.985 1.00 0.00 C ATOM 115 CG PRO A 11 -1.467 14.059 6.938 1.00 0.00 C ATOM 116 CD PRO A 11 -1.347 15.346 6.171 1.00 0.00 C ATOM 0 HA PRO A 11 -0.945 13.158 3.788 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.567 12.033 6.251 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -0.016 12.803 5.986 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -2.483 13.918 7.308 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -0.809 14.060 7.807 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -2.082 16.080 6.501 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -0.364 15.800 6.299 1.00 0.00 H new ATOM 124 N SER A 12 -3.948 13.809 4.254 1.00 0.00 N ATOM 125 CA SER A 12 -5.319 13.406 3.967 1.00 0.00 C ATOM 126 C SER A 12 -5.653 13.630 2.495 1.00 0.00 C ATOM 127 O SER A 12 -6.796 13.454 2.072 1.00 0.00 O ATOM 128 CB SER A 12 -6.298 14.187 4.847 1.00 0.00 C ATOM 129 OG SER A 12 -6.430 15.525 4.400 1.00 0.00 O ATOM 0 H SER A 12 -3.826 14.810 4.407 1.00 0.00 H new ATOM 0 HA SER A 12 -5.413 12.342 4.187 1.00 0.00 H new ATOM 0 HB2 SER A 12 -7.272 13.698 4.835 1.00 0.00 H new ATOM 0 HB3 SER A 12 -5.950 14.178 5.880 1.00 0.00 H new ATOM 0 HG SER A 12 -7.062 16.002 4.978 1.00 0.00 H new ATOM 135 N LYS A 13 -4.648 14.019 1.719 1.00 0.00 N ATOM 136 CA LYS A 13 -4.831 14.265 0.294 1.00 0.00 C ATOM 137 C LYS A 13 -4.122 13.202 -0.538 1.00 0.00 C ATOM 138 O LYS A 13 -4.275 13.151 -1.758 1.00 0.00 O ATOM 139 CB LYS A 13 -4.303 15.653 -0.076 1.00 0.00 C ATOM 140 CG LYS A 13 -4.866 16.769 0.787 1.00 0.00 C ATOM 141 CD LYS A 13 -6.232 17.220 0.297 1.00 0.00 C ATOM 142 CE LYS A 13 -7.352 16.458 0.989 1.00 0.00 C ATOM 143 NZ LYS A 13 -8.593 16.428 0.167 1.00 0.00 N ATOM 0 H LYS A 13 -3.697 14.171 2.054 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.898 14.218 0.077 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -3.216 15.653 0.008 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -4.542 15.857 -1.120 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -4.944 16.428 1.819 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -4.179 17.615 0.782 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -6.351 18.288 0.479 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -6.301 17.071 -0.781 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -7.026 15.438 1.192 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -7.566 16.922 1.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -9.332 15.900 0.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -8.919 17.400 -0.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -8.396 15.963 -0.742 1.00 0.00 H new ATOM 157 N VAL A 14 -3.347 12.354 0.130 1.00 0.00 N ATOM 158 CA VAL A 14 -2.616 11.289 -0.548 1.00 0.00 C ATOM 159 C VAL A 14 -3.481 10.045 -0.707 1.00 0.00 C ATOM 160 O VAL A 14 -4.106 9.582 0.248 1.00 0.00 O ATOM 161 CB VAL A 14 -1.333 10.914 0.217 1.00 0.00 C ATOM 162 CG1 VAL A 14 -1.611 10.809 1.708 1.00 0.00 C ATOM 163 CG2 VAL A 14 -0.755 9.613 -0.319 1.00 0.00 C ATOM 0 H VAL A 14 -3.209 12.383 1.140 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.345 11.668 -1.533 1.00 0.00 H new ATOM 0 HB VAL A 14 -0.596 11.703 0.065 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.693 10.543 2.232 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -1.976 11.767 2.078 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -2.364 10.041 1.884 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.151 9.363 0.233 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -1.486 8.813 -0.198 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.516 9.729 -1.376 1.00 0.00 H new ATOM 173 N LYS A 15 -3.514 9.506 -1.921 1.00 0.00 N ATOM 174 CA LYS A 15 -4.301 8.312 -2.209 1.00 0.00 C ATOM 175 C LYS A 15 -3.442 7.240 -2.872 1.00 0.00 C ATOM 176 O LYS A 15 -2.281 7.480 -3.205 1.00 0.00 O ATOM 177 CB LYS A 15 -5.487 8.662 -3.111 1.00 0.00 C ATOM 178 CG LYS A 15 -6.468 9.633 -2.477 1.00 0.00 C ATOM 179 CD LYS A 15 -7.219 10.433 -3.529 1.00 0.00 C ATOM 180 CE LYS A 15 -8.607 10.823 -3.045 1.00 0.00 C ATOM 181 NZ LYS A 15 -9.230 11.853 -3.921 1.00 0.00 N ATOM 0 H LYS A 15 -3.004 9.878 -2.723 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.676 7.918 -1.264 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.112 9.092 -4.040 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -6.015 7.746 -3.375 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -7.179 9.083 -1.861 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -5.932 10.313 -1.815 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -6.653 11.331 -3.778 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -7.303 9.846 -4.443 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -9.243 9.938 -3.015 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -8.543 11.204 -2.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -10.175 12.092 -3.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -8.636 12.707 -3.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -9.315 11.481 -4.888 1.00 0.00 H new ATOM 195 N ILE A 16 -4.021 6.060 -3.063 1.00 0.00 N ATOM 196 CA ILE A 16 -3.308 4.952 -3.689 1.00 0.00 C ATOM 197 C ILE A 16 -4.257 4.076 -4.501 1.00 0.00 C ATOM 198 O ILE A 16 -5.353 3.747 -4.049 1.00 0.00 O ATOM 199 CB ILE A 16 -2.591 4.080 -2.642 1.00 0.00 C ATOM 200 CG1 ILE A 16 -3.613 3.381 -1.742 1.00 0.00 C ATOM 201 CG2 ILE A 16 -1.637 4.925 -1.813 1.00 0.00 C ATOM 202 CD1 ILE A 16 -2.986 2.459 -0.720 1.00 0.00 C ATOM 0 H ILE A 16 -4.981 5.846 -2.794 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.564 5.391 -4.354 1.00 0.00 H new ATOM 0 HB ILE A 16 -2.011 3.317 -3.162 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -4.205 4.135 -1.224 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -4.301 2.807 -2.364 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.138 4.294 -1.077 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -0.892 5.380 -2.466 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.196 5.708 -1.300 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -3.769 1.998 -0.117 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -2.417 1.683 -1.231 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.320 3.031 -0.074 1.00 0.00 H new ATOM 214 N ALA A 17 -3.828 3.703 -5.701 1.00 0.00 N ATOM 215 CA ALA A 17 -4.637 2.862 -6.574 1.00 0.00 C ATOM 216 C ALA A 17 -3.776 1.832 -7.298 1.00 0.00 C ATOM 217 O ALA A 17 -2.587 2.052 -7.523 1.00 0.00 O ATOM 218 CB ALA A 17 -5.395 3.718 -7.579 1.00 0.00 C ATOM 0 H ALA A 17 -2.924 3.970 -6.091 1.00 0.00 H new ATOM 0 HA ALA A 17 -5.356 2.325 -5.955 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -5.995 3.076 -8.224 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -6.048 4.411 -7.048 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -4.686 4.281 -8.186 1.00 0.00 H new ATOM 224 N GLY A 18 -4.385 0.708 -7.661 1.00 0.00 N ATOM 225 CA GLY A 18 -3.658 -0.339 -8.355 1.00 0.00 C ATOM 226 C GLY A 18 -4.184 -1.723 -8.030 1.00 0.00 C ATOM 227 O GLY A 18 -5.062 -1.895 -7.185 1.00 0.00 O ATOM 0 H GLY A 18 -5.369 0.503 -7.487 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -3.724 -0.172 -9.430 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -2.603 -0.283 -8.088 1.00 0.00 H new ATOM 231 N PRO A 19 -3.642 -2.742 -8.715 1.00 0.00 N ATOM 232 CA PRO A 19 -4.048 -4.136 -8.513 1.00 0.00 C ATOM 233 C PRO A 19 -3.601 -4.679 -7.160 1.00 0.00 C ATOM 234 O PRO A 19 -4.309 -5.465 -6.531 1.00 0.00 O ATOM 235 CB PRO A 19 -3.339 -4.879 -9.647 1.00 0.00 C ATOM 236 CG PRO A 19 -2.159 -4.032 -9.978 1.00 0.00 C ATOM 237 CD PRO A 19 -2.591 -2.611 -9.738 1.00 0.00 C ATOM 0 HA PRO A 19 -5.132 -4.251 -8.522 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -3.034 -5.878 -9.335 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -3.993 -5.000 -10.510 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -1.304 -4.291 -9.353 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -1.852 -4.177 -11.014 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -1.764 -1.993 -9.388 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.972 -2.148 -10.648 1.00 0.00 H new ATOM 245 N GLY A 20 -2.421 -4.255 -6.717 1.00 0.00 N ATOM 246 CA GLY A 20 -1.902 -4.709 -5.440 1.00 0.00 C ATOM 247 C GLY A 20 -2.900 -4.538 -4.313 1.00 0.00 C ATOM 248 O GLY A 20 -2.931 -5.334 -3.373 1.00 0.00 O ATOM 0 H GLY A 20 -1.816 -3.606 -7.219 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -1.624 -5.760 -5.518 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -0.993 -4.155 -5.203 1.00 0.00 H new ATOM 252 N LEU A 21 -3.720 -3.496 -4.404 1.00 0.00 N ATOM 253 CA LEU A 21 -4.725 -3.222 -3.383 1.00 0.00 C ATOM 254 C LEU A 21 -6.071 -3.831 -3.765 1.00 0.00 C ATOM 255 O LEU A 21 -6.925 -4.062 -2.911 1.00 0.00 O ATOM 256 CB LEU A 21 -4.875 -1.713 -3.179 1.00 0.00 C ATOM 257 CG LEU A 21 -3.581 -0.938 -2.929 1.00 0.00 C ATOM 258 CD1 LEU A 21 -3.775 0.539 -3.236 1.00 0.00 C ATOM 259 CD2 LEU A 21 -3.113 -1.129 -1.493 1.00 0.00 C ATOM 0 H LEU A 21 -3.708 -2.827 -5.174 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.393 -3.678 -2.450 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.362 -1.294 -4.060 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.544 -1.545 -2.335 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.812 -1.329 -3.596 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.843 1.074 -3.052 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -4.062 0.659 -4.281 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.559 0.944 -2.596 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -2.191 -0.570 -1.333 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.880 -0.766 -0.809 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.932 -2.188 -1.307 1.00 0.00 H new ATOM 271 N GLY A 22 -6.251 -4.090 -5.057 1.00 0.00 N ATOM 272 CA GLY A 22 -7.494 -4.672 -5.530 1.00 0.00 C ATOM 273 C GLY A 22 -7.832 -5.970 -4.824 1.00 0.00 C ATOM 274 O GLY A 22 -6.997 -6.537 -4.119 1.00 0.00 O ATOM 0 H GLY A 22 -5.559 -3.907 -5.784 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -8.305 -3.959 -5.381 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -7.422 -4.853 -6.602 1.00 0.00 H new ATOM 278 N SER A 23 -9.061 -6.442 -5.011 1.00 0.00 N ATOM 279 CA SER A 23 -9.508 -7.679 -4.382 1.00 0.00 C ATOM 280 C SER A 23 -9.163 -8.886 -5.250 1.00 0.00 C ATOM 281 O SER A 23 -9.665 -9.987 -5.029 1.00 0.00 O ATOM 282 CB SER A 23 -11.018 -7.631 -4.133 1.00 0.00 C ATOM 283 OG SER A 23 -11.378 -8.442 -3.028 1.00 0.00 O ATOM 0 H SER A 23 -9.764 -5.986 -5.593 1.00 0.00 H new ATOM 0 HA SER A 23 -8.991 -7.780 -3.428 1.00 0.00 H new ATOM 0 HB2 SER A 23 -11.327 -6.602 -3.949 1.00 0.00 H new ATOM 0 HB3 SER A 23 -11.548 -7.968 -5.024 1.00 0.00 H new ATOM 0 HG SER A 23 -12.347 -8.393 -2.888 1.00 0.00 H new ATOM 289 N GLY A 24 -8.300 -8.669 -6.238 1.00 0.00 N ATOM 290 CA GLY A 24 -7.900 -9.746 -7.124 1.00 0.00 C ATOM 291 C GLY A 24 -6.424 -10.069 -7.015 1.00 0.00 C ATOM 292 O GLY A 24 -5.742 -10.240 -8.025 1.00 0.00 O ATOM 0 H GLY A 24 -7.871 -7.766 -6.440 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -8.482 -10.638 -6.892 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -8.134 -9.472 -8.153 1.00 0.00 H new ATOM 296 N VAL A 25 -5.927 -10.151 -5.785 1.00 0.00 N ATOM 297 CA VAL A 25 -4.520 -10.454 -5.547 1.00 0.00 C ATOM 298 C VAL A 25 -4.320 -11.937 -5.253 1.00 0.00 C ATOM 299 O VAL A 25 -5.174 -12.579 -4.642 1.00 0.00 O ATOM 300 CB VAL A 25 -3.958 -9.629 -4.375 1.00 0.00 C ATOM 301 CG1 VAL A 25 -2.566 -10.113 -4.000 1.00 0.00 C ATOM 302 CG2 VAL A 25 -3.939 -8.149 -4.726 1.00 0.00 C ATOM 0 H VAL A 25 -6.478 -10.012 -4.938 1.00 0.00 H new ATOM 0 HA VAL A 25 -3.981 -10.191 -6.457 1.00 0.00 H new ATOM 0 HB VAL A 25 -4.610 -9.766 -3.512 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.185 -9.518 -3.170 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.613 -11.161 -3.704 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -1.901 -10.007 -4.857 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -3.539 -7.581 -3.886 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -3.311 -7.991 -5.603 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.953 -7.813 -4.941 1.00 0.00 H new ATOM 312 N ARG A 26 -3.186 -12.473 -5.693 1.00 0.00 N ATOM 313 CA ARG A 26 -2.874 -13.881 -5.477 1.00 0.00 C ATOM 314 C ARG A 26 -1.577 -14.036 -4.689 1.00 0.00 C ATOM 315 O ARG A 26 -0.693 -13.182 -4.756 1.00 0.00 O ATOM 316 CB ARG A 26 -2.760 -14.611 -6.816 1.00 0.00 C ATOM 317 CG ARG A 26 -4.035 -14.572 -7.642 1.00 0.00 C ATOM 318 CD ARG A 26 -4.010 -15.607 -8.756 1.00 0.00 C ATOM 319 NE ARG A 26 -5.354 -15.952 -9.212 1.00 0.00 N ATOM 320 CZ ARG A 26 -6.049 -15.218 -10.074 1.00 0.00 C ATOM 321 NH1 ARG A 26 -5.528 -14.104 -10.570 1.00 0.00 N ATOM 322 NH2 ARG A 26 -7.265 -15.598 -10.442 1.00 0.00 N ATOM 0 H ARG A 26 -2.469 -11.954 -6.200 1.00 0.00 H new ATOM 0 HA ARG A 26 -3.685 -14.322 -4.898 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -1.949 -14.168 -7.394 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -2.488 -15.650 -6.631 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -4.894 -14.752 -6.996 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -4.162 -13.578 -8.071 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -3.430 -15.223 -9.595 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -3.504 -16.506 -8.404 1.00 0.00 H new ATOM 0 HE ARG A 26 -5.783 -16.803 -8.849 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -4.592 -13.810 -10.290 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -6.063 -13.541 -11.232 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -7.668 -16.455 -10.063 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -7.797 -15.033 -11.104 1.00 0.00 H new ATOM 336 N ALA A 27 -1.471 -15.130 -3.942 1.00 0.00 N ATOM 337 CA ALA A 27 -0.282 -15.396 -3.142 1.00 0.00 C ATOM 338 C ALA A 27 0.915 -15.721 -4.030 1.00 0.00 C ATOM 339 O ALA A 27 0.758 -16.251 -5.129 1.00 0.00 O ATOM 340 CB ALA A 27 -0.544 -16.537 -2.169 1.00 0.00 C ATOM 0 H ALA A 27 -2.194 -15.846 -3.874 1.00 0.00 H new ATOM 0 HA ALA A 27 -0.047 -14.496 -2.574 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.353 -16.725 -1.578 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -1.366 -16.268 -1.506 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -0.807 -17.437 -2.726 1.00 0.00 H new ATOM 346 N ARG A 28 2.109 -15.398 -3.545 1.00 0.00 N ATOM 347 CA ARG A 28 3.334 -15.653 -4.296 1.00 0.00 C ATOM 348 C ARG A 28 3.266 -15.013 -5.679 1.00 0.00 C ATOM 349 O ARG A 28 3.680 -15.611 -6.672 1.00 0.00 O ATOM 350 CB ARG A 28 3.570 -17.159 -4.429 1.00 0.00 C ATOM 351 CG ARG A 28 3.631 -17.886 -3.096 1.00 0.00 C ATOM 352 CD ARG A 28 4.531 -19.110 -3.172 1.00 0.00 C ATOM 353 NE ARG A 28 5.909 -18.759 -3.504 1.00 0.00 N ATOM 354 CZ ARG A 28 6.947 -19.552 -3.267 1.00 0.00 C ATOM 355 NH1 ARG A 28 6.766 -20.736 -2.700 1.00 0.00 N ATOM 356 NH2 ARG A 28 8.172 -19.161 -3.598 1.00 0.00 N ATOM 0 H ARG A 28 2.255 -14.959 -2.636 1.00 0.00 H new ATOM 0 HA ARG A 28 4.166 -15.208 -3.750 1.00 0.00 H new ATOM 0 HB2 ARG A 28 2.772 -17.591 -5.033 1.00 0.00 H new ATOM 0 HB3 ARG A 28 4.503 -17.326 -4.967 1.00 0.00 H new ATOM 0 HG2 ARG A 28 4.001 -17.208 -2.327 1.00 0.00 H new ATOM 0 HG3 ARG A 28 2.627 -18.189 -2.799 1.00 0.00 H new ATOM 0 HD2 ARG A 28 4.511 -19.634 -2.216 1.00 0.00 H new ATOM 0 HD3 ARG A 28 4.142 -19.799 -3.922 1.00 0.00 H new ATOM 0 HE ARG A 28 6.084 -17.855 -3.942 1.00 0.00 H new ATOM 0 HH11 ARG A 28 5.827 -21.041 -2.444 1.00 0.00 H new ATOM 0 HH12 ARG A 28 7.566 -21.343 -2.519 1.00 0.00 H new ATOM 0 HH21 ARG A 28 8.316 -18.251 -4.035 1.00 0.00 H new ATOM 0 HH22 ARG A 28 8.969 -19.771 -3.415 1.00 0.00 H new ATOM 370 N VAL A 29 2.740 -13.794 -5.736 1.00 0.00 N ATOM 371 CA VAL A 29 2.619 -13.071 -6.997 1.00 0.00 C ATOM 372 C VAL A 29 3.094 -11.631 -6.853 1.00 0.00 C ATOM 373 O VAL A 29 2.899 -11.002 -5.812 1.00 0.00 O ATOM 374 CB VAL A 29 1.165 -13.073 -7.507 1.00 0.00 C ATOM 375 CG1 VAL A 29 1.015 -12.135 -8.695 1.00 0.00 C ATOM 376 CG2 VAL A 29 0.730 -14.484 -7.872 1.00 0.00 C ATOM 0 H VAL A 29 2.391 -13.286 -4.924 1.00 0.00 H new ATOM 0 HA VAL A 29 3.251 -13.587 -7.720 1.00 0.00 H new ATOM 0 HB VAL A 29 0.517 -12.714 -6.707 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -0.018 -12.149 -9.042 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.283 -11.122 -8.395 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.673 -12.461 -9.501 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.299 -14.466 -8.230 1.00 0.00 H new ATOM 0 HG22 VAL A 29 1.380 -14.874 -8.655 1.00 0.00 H new ATOM 0 HG23 VAL A 29 0.797 -15.124 -6.993 1.00 0.00 H new ATOM 386 N LEU A 30 3.718 -11.111 -7.904 1.00 0.00 N ATOM 387 CA LEU A 30 4.222 -9.742 -7.896 1.00 0.00 C ATOM 388 C LEU A 30 3.073 -8.740 -7.880 1.00 0.00 C ATOM 389 O LEU A 30 2.322 -8.627 -8.848 1.00 0.00 O ATOM 390 CB LEU A 30 5.110 -9.498 -9.118 1.00 0.00 C ATOM 391 CG LEU A 30 5.735 -8.107 -9.225 1.00 0.00 C ATOM 392 CD1 LEU A 30 6.883 -7.959 -8.238 1.00 0.00 C ATOM 393 CD2 LEU A 30 6.215 -7.845 -10.646 1.00 0.00 C ATOM 0 H LEU A 30 3.887 -11.617 -8.773 1.00 0.00 H new ATOM 0 HA LEU A 30 4.814 -9.603 -6.991 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.912 -10.236 -9.112 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.517 -9.678 -10.015 1.00 0.00 H new ATOM 0 HG LEU A 30 4.973 -7.368 -8.978 1.00 0.00 H new ATOM 0 HD11 LEU A 30 7.315 -6.962 -8.329 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.511 -8.102 -7.223 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.647 -8.707 -8.453 1.00 0.00 H new ATOM 0 HD21 LEU A 30 6.657 -6.850 -10.703 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.962 -8.590 -10.921 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.371 -7.907 -11.332 1.00 0.00 H new ATOM 405 N GLN A 31 2.945 -8.013 -6.775 1.00 0.00 N ATOM 406 CA GLN A 31 1.887 -7.018 -6.633 1.00 0.00 C ATOM 407 C GLN A 31 2.474 -5.620 -6.469 1.00 0.00 C ATOM 408 O GLN A 31 3.367 -5.403 -5.649 1.00 0.00 O ATOM 409 CB GLN A 31 0.998 -7.355 -5.435 1.00 0.00 C ATOM 410 CG GLN A 31 0.455 -8.774 -5.460 1.00 0.00 C ATOM 411 CD GLN A 31 -0.537 -8.998 -6.585 1.00 0.00 C ATOM 412 OE1 GLN A 31 -1.013 -8.048 -7.208 1.00 0.00 O ATOM 413 NE2 GLN A 31 -0.855 -10.260 -6.852 1.00 0.00 N ATOM 0 H GLN A 31 3.560 -8.094 -5.965 1.00 0.00 H new ATOM 0 HA GLN A 31 1.283 -7.035 -7.540 1.00 0.00 H new ATOM 0 HB2 GLN A 31 1.568 -7.209 -4.518 1.00 0.00 H new ATOM 0 HB3 GLN A 31 0.162 -6.656 -5.405 1.00 0.00 H new ATOM 0 HG2 GLN A 31 1.283 -9.474 -5.566 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -0.027 -8.992 -4.507 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -0.437 -11.017 -6.311 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -1.517 -10.472 -7.598 1.00 0.00 H new ATOM 422 N SER A 32 1.968 -4.675 -7.254 1.00 0.00 N ATOM 423 CA SER A 32 2.444 -3.298 -7.199 1.00 0.00 C ATOM 424 C SER A 32 1.302 -2.317 -7.445 1.00 0.00 C ATOM 425 O SER A 32 0.355 -2.619 -8.173 1.00 0.00 O ATOM 426 CB SER A 32 3.552 -3.078 -8.229 1.00 0.00 C ATOM 427 OG SER A 32 4.216 -1.845 -8.010 1.00 0.00 O ATOM 0 H SER A 32 1.228 -4.838 -7.936 1.00 0.00 H new ATOM 0 HA SER A 32 2.844 -3.118 -6.201 1.00 0.00 H new ATOM 0 HB2 SER A 32 4.270 -3.896 -8.175 1.00 0.00 H new ATOM 0 HB3 SER A 32 3.127 -3.093 -9.233 1.00 0.00 H new ATOM 0 HG SER A 32 4.921 -1.729 -8.681 1.00 0.00 H new ATOM 433 N PHE A 33 1.398 -1.141 -6.834 1.00 0.00 N ATOM 434 CA PHE A 33 0.374 -0.115 -6.986 1.00 0.00 C ATOM 435 C PHE A 33 1.003 1.270 -7.105 1.00 0.00 C ATOM 436 O PHE A 33 2.226 1.414 -7.067 1.00 0.00 O ATOM 437 CB PHE A 33 -0.591 -0.147 -5.797 1.00 0.00 C ATOM 438 CG PHE A 33 0.101 -0.156 -4.464 1.00 0.00 C ATOM 439 CD1 PHE A 33 0.799 -1.275 -4.039 1.00 0.00 C ATOM 440 CD2 PHE A 33 0.052 0.954 -3.636 1.00 0.00 C ATOM 441 CE1 PHE A 33 1.437 -1.287 -2.813 1.00 0.00 C ATOM 442 CE2 PHE A 33 0.689 0.947 -2.409 1.00 0.00 C ATOM 443 CZ PHE A 33 1.381 -0.174 -1.996 1.00 0.00 C ATOM 0 H PHE A 33 2.175 -0.875 -6.229 1.00 0.00 H new ATOM 0 HA PHE A 33 -0.179 -0.324 -7.902 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -1.249 0.720 -5.850 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.223 -1.032 -5.876 1.00 0.00 H new ATOM 0 HD1 PHE A 33 0.845 -2.148 -4.673 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -0.489 1.833 -3.952 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.979 -2.165 -2.494 1.00 0.00 H new ATOM 0 HE2 PHE A 33 0.645 1.819 -1.773 1.00 0.00 H new ATOM 0 HZ PHE A 33 1.877 -0.181 -1.037 1.00 0.00 H new ATOM 453 N THR A 34 0.159 2.286 -7.253 1.00 0.00 N ATOM 454 CA THR A 34 0.632 3.659 -7.380 1.00 0.00 C ATOM 455 C THR A 34 0.128 4.523 -6.231 1.00 0.00 C ATOM 456 O THR A 34 -1.059 4.511 -5.905 1.00 0.00 O ATOM 457 CB THR A 34 0.183 4.286 -8.714 1.00 0.00 C ATOM 458 OG1 THR A 34 0.664 3.500 -9.811 1.00 0.00 O ATOM 459 CG2 THR A 34 0.697 5.712 -8.843 1.00 0.00 C ATOM 0 H THR A 34 -0.855 2.184 -7.288 1.00 0.00 H new ATOM 0 HA THR A 34 1.721 3.622 -7.352 1.00 0.00 H new ATOM 0 HB THR A 34 -0.907 4.307 -8.731 1.00 0.00 H new ATOM 0 HG1 THR A 34 0.373 3.904 -10.655 1.00 0.00 H new ATOM 0 HG21 THR A 34 0.367 6.133 -9.793 1.00 0.00 H new ATOM 0 HG22 THR A 34 0.306 6.315 -8.023 1.00 0.00 H new ATOM 0 HG23 THR A 34 1.786 5.711 -8.806 1.00 0.00 H new ATOM 467 N VAL A 35 1.037 5.275 -5.618 1.00 0.00 N ATOM 468 CA VAL A 35 0.684 6.148 -4.505 1.00 0.00 C ATOM 469 C VAL A 35 0.779 7.615 -4.907 1.00 0.00 C ATOM 470 O VAL A 35 1.873 8.165 -5.035 1.00 0.00 O ATOM 471 CB VAL A 35 1.595 5.899 -3.287 1.00 0.00 C ATOM 472 CG1 VAL A 35 1.242 6.852 -2.154 1.00 0.00 C ATOM 473 CG2 VAL A 35 1.490 4.453 -2.831 1.00 0.00 C ATOM 0 H VAL A 35 2.024 5.297 -5.874 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.346 5.916 -4.233 1.00 0.00 H new ATOM 0 HB VAL A 35 2.627 6.088 -3.581 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.895 6.662 -1.302 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.373 7.881 -2.490 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.205 6.697 -1.858 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.140 4.295 -1.970 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.459 4.233 -2.553 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.796 3.792 -3.642 1.00 0.00 H new ATOM 483 N ASP A 36 -0.374 8.245 -5.102 1.00 0.00 N ATOM 484 CA ASP A 36 -0.422 9.651 -5.487 1.00 0.00 C ATOM 485 C ASP A 36 -0.459 10.550 -4.256 1.00 0.00 C ATOM 486 O ASP A 36 -1.503 10.711 -3.623 1.00 0.00 O ATOM 487 CB ASP A 36 -1.645 9.919 -6.367 1.00 0.00 C ATOM 488 CG ASP A 36 -1.594 11.282 -7.027 1.00 0.00 C ATOM 489 OD1 ASP A 36 -0.843 11.438 -8.012 1.00 0.00 O ATOM 490 OD2 ASP A 36 -2.308 12.195 -6.560 1.00 0.00 O ATOM 0 H ASP A 36 -1.288 7.804 -5.000 1.00 0.00 H new ATOM 0 HA ASP A 36 0.481 9.879 -6.054 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -1.712 9.149 -7.135 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -2.548 9.845 -5.761 1.00 0.00 H new ATOM 495 N SER A 37 0.688 11.134 -3.920 1.00 0.00 N ATOM 496 CA SER A 37 0.788 12.013 -2.762 1.00 0.00 C ATOM 497 C SER A 37 1.168 13.428 -3.186 1.00 0.00 C ATOM 498 O SER A 37 1.784 14.173 -2.423 1.00 0.00 O ATOM 499 CB SER A 37 1.820 11.471 -1.771 1.00 0.00 C ATOM 500 OG SER A 37 3.133 11.578 -2.292 1.00 0.00 O ATOM 0 H SER A 37 1.561 11.013 -4.434 1.00 0.00 H new ATOM 0 HA SER A 37 -0.188 12.047 -2.277 1.00 0.00 H new ATOM 0 HB2 SER A 37 1.752 12.022 -0.833 1.00 0.00 H new ATOM 0 HB3 SER A 37 1.599 10.428 -1.545 1.00 0.00 H new ATOM 0 HG SER A 37 3.684 12.114 -1.684 1.00 0.00 H new ATOM 506 N SER A 38 0.795 13.793 -4.409 1.00 0.00 N ATOM 507 CA SER A 38 1.100 15.118 -4.937 1.00 0.00 C ATOM 508 C SER A 38 0.279 16.188 -4.226 1.00 0.00 C ATOM 509 O SER A 38 0.767 17.286 -3.956 1.00 0.00 O ATOM 510 CB SER A 38 0.827 15.165 -6.442 1.00 0.00 C ATOM 511 OG SER A 38 1.199 16.418 -6.988 1.00 0.00 O ATOM 0 H SER A 38 0.282 13.190 -5.052 1.00 0.00 H new ATOM 0 HA SER A 38 2.157 15.319 -4.760 1.00 0.00 H new ATOM 0 HB2 SER A 38 1.380 14.369 -6.940 1.00 0.00 H new ATOM 0 HB3 SER A 38 -0.231 14.983 -6.629 1.00 0.00 H new ATOM 0 HG SER A 38 1.016 16.423 -7.951 1.00 0.00 H new ATOM 517 N LYS A 39 -0.973 15.861 -3.924 1.00 0.00 N ATOM 518 CA LYS A 39 -1.866 16.792 -3.242 1.00 0.00 C ATOM 519 C LYS A 39 -1.526 16.884 -1.758 1.00 0.00 C ATOM 520 O LYS A 39 -1.968 17.800 -1.066 1.00 0.00 O ATOM 521 CB LYS A 39 -3.322 16.355 -3.417 1.00 0.00 C ATOM 522 CG LYS A 39 -3.810 16.427 -4.853 1.00 0.00 C ATOM 523 CD LYS A 39 -5.316 16.612 -4.922 1.00 0.00 C ATOM 524 CE LYS A 39 -5.836 16.443 -6.342 1.00 0.00 C ATOM 525 NZ LYS A 39 -5.821 15.016 -6.770 1.00 0.00 N ATOM 0 H LYS A 39 -1.393 14.957 -4.141 1.00 0.00 H new ATOM 0 HA LYS A 39 -1.733 17.777 -3.689 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -3.432 15.332 -3.056 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -3.959 16.983 -2.794 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.317 17.254 -5.365 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -3.530 15.514 -5.379 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.802 15.889 -4.267 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -5.579 17.603 -4.553 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -6.853 16.831 -6.405 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -5.226 17.034 -7.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -6.335 14.918 -7.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -4.838 14.702 -6.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -6.280 14.431 -6.043 1.00 0.00 H new ATOM 539 N ALA A 40 -0.736 15.929 -1.277 1.00 0.00 N ATOM 540 CA ALA A 40 -0.334 15.905 0.124 1.00 0.00 C ATOM 541 C ALA A 40 0.832 16.855 0.377 1.00 0.00 C ATOM 542 O ALA A 40 0.888 17.522 1.410 1.00 0.00 O ATOM 543 CB ALA A 40 0.035 14.490 0.542 1.00 0.00 C ATOM 0 H ALA A 40 -0.362 15.163 -1.837 1.00 0.00 H new ATOM 0 HA ALA A 40 -1.179 16.241 0.725 1.00 0.00 H new ATOM 0 HB1 ALA A 40 0.333 14.486 1.590 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -0.826 13.835 0.407 1.00 0.00 H new ATOM 0 HB3 ALA A 40 0.862 14.133 -0.072 1.00 0.00 H new ATOM 549 N GLY A 41 1.760 16.912 -0.573 1.00 0.00 N ATOM 550 CA GLY A 41 2.913 17.782 -0.432 1.00 0.00 C ATOM 551 C GLY A 41 4.203 17.111 -0.861 1.00 0.00 C ATOM 552 O GLY A 41 4.243 16.422 -1.882 1.00 0.00 O ATOM 0 H GLY A 41 1.734 16.371 -1.438 1.00 0.00 H new ATOM 0 HA2 GLY A 41 2.760 18.682 -1.028 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.000 18.099 0.607 1.00 0.00 H new ATOM 556 N LEU A 42 5.259 17.312 -0.082 1.00 0.00 N ATOM 557 CA LEU A 42 6.558 16.722 -0.388 1.00 0.00 C ATOM 558 C LEU A 42 7.019 15.804 0.741 1.00 0.00 C ATOM 559 O LEU A 42 8.205 15.500 0.861 1.00 0.00 O ATOM 560 CB LEU A 42 7.597 17.820 -0.623 1.00 0.00 C ATOM 561 CG LEU A 42 7.737 18.860 0.488 1.00 0.00 C ATOM 562 CD1 LEU A 42 6.727 19.981 0.302 1.00 0.00 C ATOM 563 CD2 LEU A 42 7.568 18.208 1.854 1.00 0.00 C ATOM 0 H LEU A 42 5.242 17.879 0.766 1.00 0.00 H new ATOM 0 HA LEU A 42 6.454 16.128 -1.296 1.00 0.00 H new ATOM 0 HB2 LEU A 42 8.567 17.348 -0.775 1.00 0.00 H new ATOM 0 HB3 LEU A 42 7.346 18.338 -1.549 1.00 0.00 H new ATOM 0 HG LEU A 42 8.738 19.289 0.433 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.843 20.711 1.103 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.895 20.467 -0.659 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.718 19.570 0.329 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.671 18.963 2.633 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.580 17.751 1.920 1.00 0.00 H new ATOM 0 HD23 LEU A 42 8.332 17.442 1.988 1.00 0.00 H new ATOM 575 N ALA A 43 6.071 15.366 1.563 1.00 0.00 N ATOM 576 CA ALA A 43 6.379 14.480 2.679 1.00 0.00 C ATOM 577 C ALA A 43 6.599 13.049 2.199 1.00 0.00 C ATOM 578 O ALA A 43 6.049 12.617 1.186 1.00 0.00 O ATOM 579 CB ALA A 43 5.264 14.525 3.713 1.00 0.00 C ATOM 0 H ALA A 43 5.084 15.610 1.477 1.00 0.00 H new ATOM 0 HA ALA A 43 7.303 14.827 3.142 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.508 13.859 4.540 1.00 0.00 H new ATOM 0 HB2 ALA A 43 5.155 15.543 4.087 1.00 0.00 H new ATOM 0 HB3 ALA A 43 4.329 14.206 3.254 1.00 0.00 H new ATOM 585 N PRO A 44 7.423 12.295 2.942 1.00 0.00 N ATOM 586 CA PRO A 44 7.735 10.901 2.611 1.00 0.00 C ATOM 587 C PRO A 44 6.541 9.975 2.819 1.00 0.00 C ATOM 588 O PRO A 44 5.548 10.355 3.440 1.00 0.00 O ATOM 589 CB PRO A 44 8.861 10.549 3.586 1.00 0.00 C ATOM 590 CG PRO A 44 8.665 11.471 4.740 1.00 0.00 C ATOM 591 CD PRO A 44 8.113 12.745 4.163 1.00 0.00 C ATOM 0 HA PRO A 44 8.008 10.782 1.562 1.00 0.00 H new ATOM 0 HB2 PRO A 44 8.803 9.506 3.898 1.00 0.00 H new ATOM 0 HB3 PRO A 44 9.840 10.691 3.128 1.00 0.00 H new ATOM 0 HG2 PRO A 44 7.977 11.043 5.469 1.00 0.00 H new ATOM 0 HG3 PRO A 44 9.606 11.653 5.258 1.00 0.00 H new ATOM 0 HD2 PRO A 44 7.428 13.236 4.854 1.00 0.00 H new ATOM 0 HD3 PRO A 44 8.904 13.460 3.937 1.00 0.00 H new ATOM 599 N LEU A 45 6.644 8.759 2.295 1.00 0.00 N ATOM 600 CA LEU A 45 5.573 7.777 2.423 1.00 0.00 C ATOM 601 C LEU A 45 6.113 6.445 2.935 1.00 0.00 C ATOM 602 O LEU A 45 7.082 5.911 2.398 1.00 0.00 O ATOM 603 CB LEU A 45 4.876 7.574 1.077 1.00 0.00 C ATOM 604 CG LEU A 45 3.876 6.420 1.005 1.00 0.00 C ATOM 605 CD1 LEU A 45 2.483 6.895 1.385 1.00 0.00 C ATOM 606 CD2 LEU A 45 3.870 5.805 -0.387 1.00 0.00 C ATOM 0 H LEU A 45 7.459 8.429 1.777 1.00 0.00 H new ATOM 0 HA LEU A 45 4.851 8.157 3.145 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.355 8.496 0.818 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.640 7.414 0.316 1.00 0.00 H new ATOM 0 HG LEU A 45 4.183 5.655 1.718 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.785 6.059 1.328 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.497 7.287 2.402 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.166 7.680 0.698 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.152 4.985 -0.419 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.589 6.563 -1.118 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.865 5.426 -0.622 1.00 0.00 H new ATOM 618 N GLU A 46 5.476 5.914 3.974 1.00 0.00 N ATOM 619 CA GLU A 46 5.893 4.644 4.556 1.00 0.00 C ATOM 620 C GLU A 46 4.884 3.543 4.238 1.00 0.00 C ATOM 621 O GLU A 46 3.696 3.809 4.054 1.00 0.00 O ATOM 622 CB GLU A 46 6.054 4.780 6.072 1.00 0.00 C ATOM 623 CG GLU A 46 6.922 3.698 6.691 1.00 0.00 C ATOM 624 CD GLU A 46 7.393 4.056 8.088 1.00 0.00 C ATOM 625 OE1 GLU A 46 6.562 4.023 9.018 1.00 0.00 O ATOM 626 OE2 GLU A 46 8.590 4.369 8.249 1.00 0.00 O ATOM 0 H GLU A 46 4.670 6.343 4.429 1.00 0.00 H new ATOM 0 HA GLU A 46 6.854 4.371 4.119 1.00 0.00 H new ATOM 0 HB2 GLU A 46 6.487 5.755 6.297 1.00 0.00 H new ATOM 0 HB3 GLU A 46 5.069 4.754 6.537 1.00 0.00 H new ATOM 0 HG2 GLU A 46 6.361 2.764 6.729 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.788 3.523 6.053 1.00 0.00 H new ATOM 633 N VAL A 47 5.367 2.306 4.175 1.00 0.00 N ATOM 634 CA VAL A 47 4.509 1.165 3.880 1.00 0.00 C ATOM 635 C VAL A 47 4.876 -0.036 4.746 1.00 0.00 C ATOM 636 O VAL A 47 6.049 -0.261 5.047 1.00 0.00 O ATOM 637 CB VAL A 47 4.600 0.762 2.397 1.00 0.00 C ATOM 638 CG1 VAL A 47 3.623 -0.361 2.087 1.00 0.00 C ATOM 639 CG2 VAL A 47 4.343 1.966 1.503 1.00 0.00 C ATOM 0 H VAL A 47 6.348 2.069 4.324 1.00 0.00 H new ATOM 0 HA VAL A 47 3.487 1.472 4.102 1.00 0.00 H new ATOM 0 HB VAL A 47 5.608 0.398 2.198 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.702 -0.632 1.034 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.858 -1.229 2.704 1.00 0.00 H new ATOM 0 HG13 VAL A 47 2.607 -0.029 2.301 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.411 1.664 0.458 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.347 2.361 1.703 1.00 0.00 H new ATOM 0 HG23 VAL A 47 5.087 2.736 1.707 1.00 0.00 H new ATOM 649 N ARG A 48 3.867 -0.806 5.139 1.00 0.00 N ATOM 650 CA ARG A 48 4.084 -1.984 5.970 1.00 0.00 C ATOM 651 C ARG A 48 3.032 -3.052 5.683 1.00 0.00 C ATOM 652 O ARG A 48 1.841 -2.755 5.582 1.00 0.00 O ATOM 653 CB ARG A 48 4.049 -1.604 7.451 1.00 0.00 C ATOM 654 CG ARG A 48 5.394 -1.152 7.995 1.00 0.00 C ATOM 655 CD ARG A 48 6.221 -2.331 8.484 1.00 0.00 C ATOM 656 NE ARG A 48 7.354 -1.903 9.302 1.00 0.00 N ATOM 657 CZ ARG A 48 8.403 -2.674 9.564 1.00 0.00 C ATOM 658 NH1 ARG A 48 8.465 -3.904 9.075 1.00 0.00 N ATOM 659 NH2 ARG A 48 9.394 -2.213 10.317 1.00 0.00 N ATOM 0 H ARG A 48 2.891 -0.635 4.895 1.00 0.00 H new ATOM 0 HA ARG A 48 5.066 -2.391 5.730 1.00 0.00 H new ATOM 0 HB2 ARG A 48 3.321 -0.806 7.596 1.00 0.00 H new ATOM 0 HB3 ARG A 48 3.702 -2.460 8.029 1.00 0.00 H new ATOM 0 HG2 ARG A 48 5.942 -0.619 7.218 1.00 0.00 H new ATOM 0 HG3 ARG A 48 5.239 -0.450 8.814 1.00 0.00 H new ATOM 0 HD2 ARG A 48 5.588 -3.002 9.064 1.00 0.00 H new ATOM 0 HD3 ARG A 48 6.586 -2.898 7.628 1.00 0.00 H new ATOM 0 HE ARG A 48 7.338 -0.961 9.693 1.00 0.00 H new ATOM 0 HH11 ARG A 48 7.706 -4.261 8.495 1.00 0.00 H new ATOM 0 HH12 ARG A 48 9.272 -4.494 9.278 1.00 0.00 H new ATOM 0 HH21 ARG A 48 9.350 -1.266 10.695 1.00 0.00 H new ATOM 0 HH22 ARG A 48 10.200 -2.805 10.518 1.00 0.00 H new ATOM 673 N VAL A 49 3.480 -4.297 5.552 1.00 0.00 N ATOM 674 CA VAL A 49 2.579 -5.410 5.277 1.00 0.00 C ATOM 675 C VAL A 49 2.585 -6.417 6.420 1.00 0.00 C ATOM 676 O VAL A 49 3.643 -6.877 6.852 1.00 0.00 O ATOM 677 CB VAL A 49 2.958 -6.131 3.969 1.00 0.00 C ATOM 678 CG1 VAL A 49 1.988 -7.265 3.684 1.00 0.00 C ATOM 679 CG2 VAL A 49 2.997 -5.145 2.811 1.00 0.00 C ATOM 0 H VAL A 49 4.462 -4.560 5.632 1.00 0.00 H new ATOM 0 HA VAL A 49 1.579 -4.989 5.173 1.00 0.00 H new ATOM 0 HB VAL A 49 3.954 -6.559 4.085 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.272 -7.762 2.756 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.016 -7.983 4.504 1.00 0.00 H new ATOM 0 HG13 VAL A 49 0.979 -6.865 3.587 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.266 -5.670 1.895 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.016 -4.686 2.691 1.00 0.00 H new ATOM 0 HG23 VAL A 49 3.737 -4.372 3.017 1.00 0.00 H new ATOM 689 N LEU A 50 1.398 -6.757 6.908 1.00 0.00 N ATOM 690 CA LEU A 50 1.264 -7.713 8.003 1.00 0.00 C ATOM 691 C LEU A 50 0.333 -8.857 7.617 1.00 0.00 C ATOM 692 O LEU A 50 -0.832 -8.639 7.288 1.00 0.00 O ATOM 693 CB LEU A 50 0.738 -7.012 9.257 1.00 0.00 C ATOM 694 CG LEU A 50 1.730 -6.105 9.986 1.00 0.00 C ATOM 695 CD1 LEU A 50 0.993 -5.038 10.780 1.00 0.00 C ATOM 696 CD2 LEU A 50 2.631 -6.925 10.897 1.00 0.00 C ATOM 0 H LEU A 50 0.513 -6.385 6.563 1.00 0.00 H new ATOM 0 HA LEU A 50 2.250 -8.128 8.213 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -0.131 -6.416 8.978 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.391 -7.773 9.956 1.00 0.00 H new ATOM 0 HG LEU A 50 2.354 -5.609 9.243 1.00 0.00 H new ATOM 0 HD11 LEU A 50 1.715 -4.402 11.292 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.391 -4.432 10.103 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.344 -5.515 11.515 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.331 -6.264 11.408 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.023 -7.449 11.634 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.186 -7.651 10.302 1.00 0.00 H new ATOM 708 N GLY A 51 0.855 -10.079 7.662 1.00 0.00 N ATOM 709 CA GLY A 51 0.056 -11.240 7.318 1.00 0.00 C ATOM 710 C GLY A 51 -1.128 -11.426 8.246 1.00 0.00 C ATOM 711 O GLY A 51 -1.288 -10.709 9.234 1.00 0.00 O ATOM 0 H GLY A 51 1.817 -10.285 7.931 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -0.302 -11.140 6.293 1.00 0.00 H new ATOM 0 HA3 GLY A 51 0.683 -12.131 7.351 1.00 0.00 H new ATOM 715 N PRO A 52 -1.984 -12.409 7.929 1.00 0.00 N ATOM 716 CA PRO A 52 -3.175 -12.709 8.730 1.00 0.00 C ATOM 717 C PRO A 52 -2.826 -13.317 10.084 1.00 0.00 C ATOM 718 O PRO A 52 -3.397 -12.943 11.108 1.00 0.00 O ATOM 719 CB PRO A 52 -3.935 -13.722 7.869 1.00 0.00 C ATOM 720 CG PRO A 52 -2.887 -14.365 7.028 1.00 0.00 C ATOM 721 CD PRO A 52 -1.856 -13.303 6.767 1.00 0.00 C ATOM 0 HA PRO A 52 -3.747 -11.811 8.962 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -4.453 -14.456 8.486 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -4.690 -13.232 7.255 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -2.446 -15.220 7.541 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -3.309 -14.736 6.094 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -0.854 -13.725 6.694 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -2.049 -12.777 5.832 1.00 0.00 H new ATOM 729 N ARG A 53 -1.884 -14.255 10.081 1.00 0.00 N ATOM 730 CA ARG A 53 -1.459 -14.914 11.309 1.00 0.00 C ATOM 731 C ARG A 53 -0.507 -14.024 12.102 1.00 0.00 C ATOM 732 O ARG A 53 -0.483 -14.064 13.332 1.00 0.00 O ATOM 733 CB ARG A 53 -0.781 -16.247 10.990 1.00 0.00 C ATOM 734 CG ARG A 53 -1.573 -17.119 10.028 1.00 0.00 C ATOM 735 CD ARG A 53 -1.063 -16.981 8.602 1.00 0.00 C ATOM 736 NE ARG A 53 -0.054 -17.988 8.283 1.00 0.00 N ATOM 737 CZ ARG A 53 -0.326 -19.279 8.136 1.00 0.00 C ATOM 738 NH1 ARG A 53 -1.568 -19.720 8.279 1.00 0.00 N ATOM 739 NH2 ARG A 53 0.647 -20.134 7.845 1.00 0.00 N ATOM 0 H ARG A 53 -1.401 -14.575 9.242 1.00 0.00 H new ATOM 0 HA ARG A 53 -2.345 -15.101 11.916 1.00 0.00 H new ATOM 0 HB2 ARG A 53 0.203 -16.052 10.564 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -0.623 -16.796 11.918 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -1.506 -18.161 10.340 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.626 -16.842 10.067 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -1.898 -17.072 7.908 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -0.639 -15.986 8.463 1.00 0.00 H new ATOM 0 HE ARG A 53 0.912 -17.683 8.167 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -2.319 -19.067 8.503 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -1.773 -20.713 8.165 1.00 0.00 H new ATOM 0 HH21 ARG A 53 1.604 -19.799 7.734 1.00 0.00 H new ATOM 0 HH22 ARG A 53 0.438 -21.126 7.732 1.00 0.00 H new ATOM 753 N GLY A 54 0.279 -13.223 11.390 1.00 0.00 N ATOM 754 CA GLY A 54 1.223 -12.335 12.044 1.00 0.00 C ATOM 755 C GLY A 54 2.588 -12.354 11.385 1.00 0.00 C ATOM 756 O GLY A 54 3.610 -12.191 12.052 1.00 0.00 O ATOM 0 H GLY A 54 0.279 -13.173 10.371 1.00 0.00 H new ATOM 0 HA2 GLY A 54 0.830 -11.318 12.030 1.00 0.00 H new ATOM 0 HA3 GLY A 54 1.324 -12.624 13.090 1.00 0.00 H new ATOM 760 N LEU A 55 2.605 -12.552 10.071 1.00 0.00 N ATOM 761 CA LEU A 55 3.856 -12.593 9.320 1.00 0.00 C ATOM 762 C LEU A 55 4.293 -11.189 8.915 1.00 0.00 C ATOM 763 O LEU A 55 3.461 -10.306 8.700 1.00 0.00 O ATOM 764 CB LEU A 55 3.699 -13.470 8.077 1.00 0.00 C ATOM 765 CG LEU A 55 4.757 -13.287 6.989 1.00 0.00 C ATOM 766 CD1 LEU A 55 6.032 -14.033 7.353 1.00 0.00 C ATOM 767 CD2 LEU A 55 4.227 -13.759 5.644 1.00 0.00 C ATOM 0 H LEU A 55 1.768 -12.687 9.504 1.00 0.00 H new ATOM 0 HA LEU A 55 4.624 -13.021 9.964 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.706 -14.514 8.390 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.720 -13.274 7.640 1.00 0.00 H new ATOM 0 HG LEU A 55 4.991 -12.225 6.912 1.00 0.00 H new ATOM 0 HD11 LEU A 55 6.774 -13.891 6.567 1.00 0.00 H new ATOM 0 HD12 LEU A 55 6.423 -13.647 8.295 1.00 0.00 H new ATOM 0 HD13 LEU A 55 5.814 -15.096 7.459 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.994 -13.621 4.882 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.964 -14.815 5.707 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.343 -13.180 5.378 1.00 0.00 H new ATOM 779 N VAL A 56 5.603 -10.990 8.810 1.00 0.00 N ATOM 780 CA VAL A 56 6.151 -9.694 8.427 1.00 0.00 C ATOM 781 C VAL A 56 6.854 -9.772 7.077 1.00 0.00 C ATOM 782 O VAL A 56 7.864 -10.460 6.931 1.00 0.00 O ATOM 783 CB VAL A 56 7.144 -9.170 9.481 1.00 0.00 C ATOM 784 CG1 VAL A 56 7.723 -7.832 9.050 1.00 0.00 C ATOM 785 CG2 VAL A 56 6.469 -9.057 10.839 1.00 0.00 C ATOM 0 H VAL A 56 6.304 -11.710 8.985 1.00 0.00 H new ATOM 0 HA VAL A 56 5.310 -9.004 8.356 1.00 0.00 H new ATOM 0 HB VAL A 56 7.965 -9.882 9.568 1.00 0.00 H new ATOM 0 HG11 VAL A 56 8.422 -7.477 9.807 1.00 0.00 H new ATOM 0 HG12 VAL A 56 8.245 -7.950 8.101 1.00 0.00 H new ATOM 0 HG13 VAL A 56 6.917 -7.108 8.933 1.00 0.00 H new ATOM 0 HG21 VAL A 56 7.185 -8.685 11.572 1.00 0.00 H new ATOM 0 HG22 VAL A 56 5.628 -8.367 10.771 1.00 0.00 H new ATOM 0 HG23 VAL A 56 6.109 -10.038 11.149 1.00 0.00 H new ATOM 795 N GLU A 57 6.313 -9.063 6.092 1.00 0.00 N ATOM 796 CA GLU A 57 6.888 -9.053 4.752 1.00 0.00 C ATOM 797 C GLU A 57 7.432 -7.669 4.403 1.00 0.00 C ATOM 798 O GLU A 57 6.859 -6.641 4.764 1.00 0.00 O ATOM 799 CB GLU A 57 5.842 -9.477 3.719 1.00 0.00 C ATOM 800 CG GLU A 57 5.454 -10.943 3.812 1.00 0.00 C ATOM 801 CD GLU A 57 6.530 -11.867 3.276 1.00 0.00 C ATOM 802 OE1 GLU A 57 7.195 -11.492 2.288 1.00 0.00 O ATOM 803 OE2 GLU A 57 6.707 -12.964 3.846 1.00 0.00 O ATOM 0 H GLU A 57 5.477 -8.488 6.196 1.00 0.00 H new ATOM 0 HA GLU A 57 7.714 -9.764 4.734 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.949 -8.865 3.846 1.00 0.00 H new ATOM 0 HB3 GLU A 57 6.228 -9.275 2.720 1.00 0.00 H new ATOM 0 HG2 GLU A 57 5.249 -11.195 4.852 1.00 0.00 H new ATOM 0 HG3 GLU A 57 4.530 -11.106 3.257 1.00 0.00 H new ATOM 810 N PRO A 58 8.564 -7.643 3.684 1.00 0.00 N ATOM 811 CA PRO A 58 9.210 -6.394 3.271 1.00 0.00 C ATOM 812 C PRO A 58 8.404 -5.648 2.213 1.00 0.00 C ATOM 813 O PRO A 58 7.445 -6.182 1.657 1.00 0.00 O ATOM 814 CB PRO A 58 10.548 -6.860 2.694 1.00 0.00 C ATOM 815 CG PRO A 58 10.303 -8.262 2.253 1.00 0.00 C ATOM 816 CD PRO A 58 9.300 -8.830 3.219 1.00 0.00 C ATOM 0 HA PRO A 58 9.309 -5.693 4.100 1.00 0.00 H new ATOM 0 HB2 PRO A 58 10.860 -6.231 1.860 1.00 0.00 H new ATOM 0 HB3 PRO A 58 11.340 -6.813 3.442 1.00 0.00 H new ATOM 0 HG2 PRO A 58 9.921 -8.289 1.233 1.00 0.00 H new ATOM 0 HG3 PRO A 58 11.226 -8.841 2.263 1.00 0.00 H new ATOM 0 HD2 PRO A 58 8.639 -9.549 2.735 1.00 0.00 H new ATOM 0 HD3 PRO A 58 9.787 -9.350 4.044 1.00 0.00 H new ATOM 824 N VAL A 59 8.802 -4.409 1.938 1.00 0.00 N ATOM 825 CA VAL A 59 8.118 -3.589 0.945 1.00 0.00 C ATOM 826 C VAL A 59 9.114 -2.803 0.101 1.00 0.00 C ATOM 827 O VAL A 59 10.298 -2.729 0.428 1.00 0.00 O ATOM 828 CB VAL A 59 7.136 -2.606 1.608 1.00 0.00 C ATOM 829 CG1 VAL A 59 6.016 -3.360 2.309 1.00 0.00 C ATOM 830 CG2 VAL A 59 7.869 -1.698 2.584 1.00 0.00 C ATOM 0 H VAL A 59 9.594 -3.952 2.389 1.00 0.00 H new ATOM 0 HA VAL A 59 7.560 -4.270 0.303 1.00 0.00 H new ATOM 0 HB VAL A 59 6.692 -1.984 0.831 1.00 0.00 H new ATOM 0 HG11 VAL A 59 5.332 -2.648 2.772 1.00 0.00 H new ATOM 0 HG12 VAL A 59 5.474 -3.964 1.582 1.00 0.00 H new ATOM 0 HG13 VAL A 59 6.439 -4.008 3.077 1.00 0.00 H new ATOM 0 HG21 VAL A 59 7.160 -1.010 3.043 1.00 0.00 H new ATOM 0 HG22 VAL A 59 8.342 -2.302 3.358 1.00 0.00 H new ATOM 0 HG23 VAL A 59 8.632 -1.131 2.051 1.00 0.00 H new ATOM 840 N ASN A 60 8.626 -2.218 -0.989 1.00 0.00 N ATOM 841 CA ASN A 60 9.474 -1.436 -1.882 1.00 0.00 C ATOM 842 C ASN A 60 8.937 -0.017 -2.039 1.00 0.00 C ATOM 843 O ASN A 60 7.727 0.193 -2.125 1.00 0.00 O ATOM 844 CB ASN A 60 9.569 -2.113 -3.250 1.00 0.00 C ATOM 845 CG ASN A 60 10.251 -1.235 -4.283 1.00 0.00 C ATOM 846 OD1 ASN A 60 11.474 -1.257 -4.421 1.00 0.00 O ATOM 847 ND2 ASN A 60 9.460 -0.458 -5.013 1.00 0.00 N ATOM 0 H ASN A 60 7.648 -2.271 -1.275 1.00 0.00 H new ATOM 0 HA ASN A 60 10.470 -1.381 -1.442 1.00 0.00 H new ATOM 0 HB2 ASN A 60 10.119 -3.049 -3.152 1.00 0.00 H new ATOM 0 HB3 ASN A 60 8.567 -2.367 -3.597 1.00 0.00 H new ATOM 0 HD21 ASN A 60 9.861 0.154 -5.724 1.00 0.00 H new ATOM 0 HD22 ASN A 60 8.451 -0.473 -4.863 1.00 0.00 H new ATOM 854 N VAL A 61 9.844 0.953 -2.076 1.00 0.00 N ATOM 855 CA VAL A 61 9.462 2.352 -2.225 1.00 0.00 C ATOM 856 C VAL A 61 10.314 3.045 -3.282 1.00 0.00 C ATOM 857 O VAL A 61 11.521 3.215 -3.109 1.00 0.00 O ATOM 858 CB VAL A 61 9.596 3.116 -0.894 1.00 0.00 C ATOM 859 CG1 VAL A 61 9.250 4.585 -1.083 1.00 0.00 C ATOM 860 CG2 VAL A 61 8.711 2.485 0.171 1.00 0.00 C ATOM 0 H VAL A 61 10.849 0.796 -2.005 1.00 0.00 H new ATOM 0 HA VAL A 61 8.418 2.362 -2.539 1.00 0.00 H new ATOM 0 HB VAL A 61 10.632 3.052 -0.561 1.00 0.00 H new ATOM 0 HG11 VAL A 61 9.351 5.108 -0.132 1.00 0.00 H new ATOM 0 HG12 VAL A 61 9.927 5.027 -1.814 1.00 0.00 H new ATOM 0 HG13 VAL A 61 8.224 4.674 -1.439 1.00 0.00 H new ATOM 0 HG21 VAL A 61 8.817 3.036 1.105 1.00 0.00 H new ATOM 0 HG22 VAL A 61 7.671 2.518 -0.154 1.00 0.00 H new ATOM 0 HG23 VAL A 61 9.010 1.448 0.325 1.00 0.00 H new ATOM 870 N VAL A 62 9.678 3.444 -4.380 1.00 0.00 N ATOM 871 CA VAL A 62 10.377 4.120 -5.466 1.00 0.00 C ATOM 872 C VAL A 62 9.552 5.281 -6.011 1.00 0.00 C ATOM 873 O VAL A 62 8.437 5.089 -6.496 1.00 0.00 O ATOM 874 CB VAL A 62 10.701 3.148 -6.616 1.00 0.00 C ATOM 875 CG1 VAL A 62 11.372 3.885 -7.765 1.00 0.00 C ATOM 876 CG2 VAL A 62 11.576 2.007 -6.119 1.00 0.00 C ATOM 0 H VAL A 62 8.680 3.310 -4.540 1.00 0.00 H new ATOM 0 HA VAL A 62 11.310 4.504 -5.053 1.00 0.00 H new ATOM 0 HB VAL A 62 9.767 2.724 -6.985 1.00 0.00 H new ATOM 0 HG11 VAL A 62 11.593 3.182 -8.568 1.00 0.00 H new ATOM 0 HG12 VAL A 62 10.705 4.663 -8.137 1.00 0.00 H new ATOM 0 HG13 VAL A 62 12.299 4.339 -7.414 1.00 0.00 H new ATOM 0 HG21 VAL A 62 11.795 1.330 -6.945 1.00 0.00 H new ATOM 0 HG22 VAL A 62 12.508 2.409 -5.723 1.00 0.00 H new ATOM 0 HG23 VAL A 62 11.053 1.463 -5.333 1.00 0.00 H new ATOM 886 N ASP A 63 10.108 6.484 -5.930 1.00 0.00 N ATOM 887 CA ASP A 63 9.424 7.677 -6.417 1.00 0.00 C ATOM 888 C ASP A 63 9.455 7.734 -7.942 1.00 0.00 C ATOM 889 O ASP A 63 10.482 7.468 -8.562 1.00 0.00 O ATOM 890 CB ASP A 63 10.070 8.934 -5.834 1.00 0.00 C ATOM 891 CG ASP A 63 9.443 10.207 -6.368 1.00 0.00 C ATOM 892 OD1 ASP A 63 8.206 10.348 -6.267 1.00 0.00 O ATOM 893 OD2 ASP A 63 10.190 11.063 -6.886 1.00 0.00 O ATOM 0 H ASP A 63 11.030 6.660 -5.532 1.00 0.00 H new ATOM 0 HA ASP A 63 8.384 7.629 -6.093 1.00 0.00 H new ATOM 0 HB2 ASP A 63 9.979 8.915 -4.748 1.00 0.00 H new ATOM 0 HB3 ASP A 63 11.135 8.932 -6.065 1.00 0.00 H new ATOM 898 N ASN A 64 8.319 8.085 -8.538 1.00 0.00 N ATOM 899 CA ASN A 64 8.214 8.177 -9.989 1.00 0.00 C ATOM 900 C ASN A 64 8.893 9.443 -10.505 1.00 0.00 C ATOM 901 O ASN A 64 9.610 9.413 -11.504 1.00 0.00 O ATOM 902 CB ASN A 64 6.746 8.161 -10.418 1.00 0.00 C ATOM 903 CG ASN A 64 6.116 6.789 -10.271 1.00 0.00 C ATOM 904 OD1 ASN A 64 5.860 6.103 -11.260 1.00 0.00 O ATOM 905 ND2 ASN A 64 5.861 6.384 -9.032 1.00 0.00 N ATOM 0 H ASN A 64 7.459 8.310 -8.038 1.00 0.00 H new ATOM 0 HA ASN A 64 8.720 7.313 -10.420 1.00 0.00 H new ATOM 0 HB2 ASN A 64 6.187 8.880 -9.819 1.00 0.00 H new ATOM 0 HB3 ASN A 64 6.670 8.483 -11.456 1.00 0.00 H new ATOM 0 HD21 ASN A 64 5.436 5.471 -8.871 1.00 0.00 H new ATOM 0 HD22 ASN A 64 6.090 6.986 -8.241 1.00 0.00 H new ATOM 912 N GLY A 65 8.661 10.556 -9.814 1.00 0.00 N ATOM 913 CA GLY A 65 9.256 11.816 -10.216 1.00 0.00 C ATOM 914 C GLY A 65 8.219 12.841 -10.632 1.00 0.00 C ATOM 915 O GLY A 65 8.465 14.045 -10.563 1.00 0.00 O ATOM 0 H GLY A 65 8.071 10.606 -8.983 1.00 0.00 H new ATOM 0 HA2 GLY A 65 9.846 12.215 -9.391 1.00 0.00 H new ATOM 0 HA3 GLY A 65 9.943 11.642 -11.044 1.00 0.00 H new ATOM 919 N ASP A 66 7.059 12.363 -11.065 1.00 0.00 N ATOM 920 CA ASP A 66 5.980 13.245 -11.494 1.00 0.00 C ATOM 921 C ASP A 66 5.126 13.679 -10.305 1.00 0.00 C ATOM 922 O ASP A 66 4.772 14.850 -10.177 1.00 0.00 O ATOM 923 CB ASP A 66 5.106 12.549 -12.538 1.00 0.00 C ATOM 924 CG ASP A 66 4.207 13.519 -13.281 1.00 0.00 C ATOM 925 OD1 ASP A 66 4.731 14.508 -13.834 1.00 0.00 O ATOM 926 OD2 ASP A 66 2.981 13.287 -13.309 1.00 0.00 O ATOM 0 H ASP A 66 6.841 11.369 -11.129 1.00 0.00 H new ATOM 0 HA ASP A 66 6.427 14.133 -11.941 1.00 0.00 H new ATOM 0 HB2 ASP A 66 5.744 12.029 -13.253 1.00 0.00 H new ATOM 0 HB3 ASP A 66 4.493 11.792 -12.048 1.00 0.00 H new ATOM 931 N GLY A 67 4.800 12.724 -9.440 1.00 0.00 N ATOM 932 CA GLY A 67 3.990 13.026 -8.274 1.00 0.00 C ATOM 933 C GLY A 67 3.356 11.788 -7.672 1.00 0.00 C ATOM 934 O GLY A 67 2.244 11.844 -7.144 1.00 0.00 O ATOM 0 H GLY A 67 5.082 11.747 -9.525 1.00 0.00 H new ATOM 0 HA2 GLY A 67 4.609 13.515 -7.522 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.208 13.732 -8.552 1.00 0.00 H new ATOM 938 N THR A 68 4.063 10.665 -7.750 1.00 0.00 N ATOM 939 CA THR A 68 3.561 9.407 -7.212 1.00 0.00 C ATOM 940 C THR A 68 4.706 8.514 -6.746 1.00 0.00 C ATOM 941 O THR A 68 5.878 8.865 -6.886 1.00 0.00 O ATOM 942 CB THR A 68 2.721 8.645 -8.254 1.00 0.00 C ATOM 943 OG1 THR A 68 3.546 8.255 -9.358 1.00 0.00 O ATOM 944 CG2 THR A 68 1.570 9.504 -8.754 1.00 0.00 C ATOM 0 H THR A 68 4.985 10.601 -8.181 1.00 0.00 H new ATOM 0 HA THR A 68 2.928 9.657 -6.360 1.00 0.00 H new ATOM 0 HB THR A 68 2.309 7.756 -7.776 1.00 0.00 H new ATOM 0 HG1 THR A 68 3.005 7.770 -10.015 1.00 0.00 H new ATOM 0 HG21 THR A 68 0.991 8.945 -9.489 1.00 0.00 H new ATOM 0 HG22 THR A 68 0.928 9.775 -7.916 1.00 0.00 H new ATOM 0 HG23 THR A 68 1.965 10.409 -9.216 1.00 0.00 H new ATOM 952 N HIS A 69 4.359 7.355 -6.193 1.00 0.00 N ATOM 953 CA HIS A 69 5.358 6.410 -5.708 1.00 0.00 C ATOM 954 C HIS A 69 4.900 4.972 -5.932 1.00 0.00 C ATOM 955 O HIS A 69 3.757 4.620 -5.637 1.00 0.00 O ATOM 956 CB HIS A 69 5.633 6.644 -4.222 1.00 0.00 C ATOM 957 CG HIS A 69 5.919 8.076 -3.885 1.00 0.00 C ATOM 958 ND1 HIS A 69 7.148 8.512 -3.437 1.00 0.00 N ATOM 959 CD2 HIS A 69 5.126 9.171 -3.932 1.00 0.00 C ATOM 960 CE1 HIS A 69 7.099 9.814 -3.222 1.00 0.00 C ATOM 961 NE2 HIS A 69 5.883 10.239 -3.516 1.00 0.00 N ATOM 0 H HIS A 69 3.394 7.049 -6.070 1.00 0.00 H new ATOM 0 HA HIS A 69 6.278 6.571 -6.270 1.00 0.00 H new ATOM 0 HB2 HIS A 69 4.772 6.308 -3.644 1.00 0.00 H new ATOM 0 HB3 HIS A 69 6.481 6.031 -3.917 1.00 0.00 H new ATOM 0 HD2 HIS A 69 4.091 9.200 -4.239 1.00 0.00 H new ATOM 0 HE1 HIS A 69 7.914 10.427 -2.866 1.00 0.00 H new ATOM 0 HE2 HIS A 69 5.559 11.204 -3.445 1.00 0.00 H new ATOM 970 N THR A 70 5.799 4.145 -6.457 1.00 0.00 N ATOM 971 CA THR A 70 5.486 2.746 -6.722 1.00 0.00 C ATOM 972 C THR A 70 5.880 1.862 -5.545 1.00 0.00 C ATOM 973 O THR A 70 6.915 2.077 -4.913 1.00 0.00 O ATOM 974 CB THR A 70 6.201 2.242 -7.990 1.00 0.00 C ATOM 975 OG1 THR A 70 5.710 2.942 -9.139 1.00 0.00 O ATOM 976 CG2 THR A 70 5.990 0.747 -8.172 1.00 0.00 C ATOM 0 H THR A 70 6.749 4.420 -6.707 1.00 0.00 H new ATOM 0 HA THR A 70 4.408 2.686 -6.873 1.00 0.00 H new ATOM 0 HB THR A 70 7.269 2.431 -7.878 1.00 0.00 H new ATOM 0 HG1 THR A 70 6.170 2.618 -9.941 1.00 0.00 H new ATOM 0 HG21 THR A 70 6.504 0.414 -9.074 1.00 0.00 H new ATOM 0 HG22 THR A 70 6.390 0.215 -7.309 1.00 0.00 H new ATOM 0 HG23 THR A 70 4.924 0.539 -8.264 1.00 0.00 H new ATOM 984 N VAL A 71 5.050 0.865 -5.255 1.00 0.00 N ATOM 985 CA VAL A 71 5.313 -0.054 -4.155 1.00 0.00 C ATOM 986 C VAL A 71 5.156 -1.503 -4.599 1.00 0.00 C ATOM 987 O VAL A 71 4.040 -2.002 -4.747 1.00 0.00 O ATOM 988 CB VAL A 71 4.372 0.211 -2.965 1.00 0.00 C ATOM 989 CG1 VAL A 71 4.656 -0.763 -1.831 1.00 0.00 C ATOM 990 CG2 VAL A 71 4.508 1.650 -2.488 1.00 0.00 C ATOM 0 H VAL A 71 4.189 0.673 -5.767 1.00 0.00 H new ATOM 0 HA VAL A 71 6.342 0.117 -3.840 1.00 0.00 H new ATOM 0 HB VAL A 71 3.345 0.057 -3.296 1.00 0.00 H new ATOM 0 HG11 VAL A 71 3.981 -0.560 -0.999 1.00 0.00 H new ATOM 0 HG12 VAL A 71 4.503 -1.784 -2.181 1.00 0.00 H new ATOM 0 HG13 VAL A 71 5.687 -0.644 -1.499 1.00 0.00 H new ATOM 0 HG21 VAL A 71 3.836 1.820 -1.647 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.536 1.834 -2.174 1.00 0.00 H new ATOM 0 HG23 VAL A 71 4.250 2.329 -3.301 1.00 0.00 H new ATOM 1000 N THR A 72 6.282 -2.177 -4.812 1.00 0.00 N ATOM 1001 CA THR A 72 6.271 -3.570 -5.241 1.00 0.00 C ATOM 1002 C THR A 72 6.402 -4.513 -4.050 1.00 0.00 C ATOM 1003 O THR A 72 7.207 -4.282 -3.148 1.00 0.00 O ATOM 1004 CB THR A 72 7.408 -3.860 -6.238 1.00 0.00 C ATOM 1005 OG1 THR A 72 8.665 -3.467 -5.676 1.00 0.00 O ATOM 1006 CG2 THR A 72 7.180 -3.123 -7.549 1.00 0.00 C ATOM 0 H THR A 72 7.214 -1.780 -4.694 1.00 0.00 H new ATOM 0 HA THR A 72 5.314 -3.741 -5.733 1.00 0.00 H new ATOM 0 HB THR A 72 7.420 -4.931 -6.439 1.00 0.00 H new ATOM 0 HG1 THR A 72 9.383 -3.656 -6.316 1.00 0.00 H new ATOM 0 HG21 THR A 72 7.996 -3.344 -8.237 1.00 0.00 H new ATOM 0 HG22 THR A 72 6.237 -3.447 -7.989 1.00 0.00 H new ATOM 0 HG23 THR A 72 7.143 -2.050 -7.362 1.00 0.00 H new ATOM 1014 N TYR A 73 5.605 -5.576 -4.053 1.00 0.00 N ATOM 1015 CA TYR A 73 5.631 -6.554 -2.972 1.00 0.00 C ATOM 1016 C TYR A 73 5.082 -7.898 -3.439 1.00 0.00 C ATOM 1017 O TYR A 73 4.624 -8.035 -4.574 1.00 0.00 O ATOM 1018 CB TYR A 73 4.821 -6.047 -1.778 1.00 0.00 C ATOM 1019 CG TYR A 73 3.337 -6.313 -1.897 1.00 0.00 C ATOM 1020 CD1 TYR A 73 2.497 -5.403 -2.528 1.00 0.00 C ATOM 1021 CD2 TYR A 73 2.775 -7.473 -1.379 1.00 0.00 C ATOM 1022 CE1 TYR A 73 1.141 -5.641 -2.639 1.00 0.00 C ATOM 1023 CE2 TYR A 73 1.420 -7.719 -1.486 1.00 0.00 C ATOM 1024 CZ TYR A 73 0.607 -6.801 -2.117 1.00 0.00 C ATOM 1025 OH TYR A 73 -0.744 -7.043 -2.224 1.00 0.00 O ATOM 0 H TYR A 73 4.933 -5.782 -4.792 1.00 0.00 H new ATOM 0 HA TYR A 73 6.668 -6.692 -2.667 1.00 0.00 H new ATOM 0 HB2 TYR A 73 5.195 -6.519 -0.869 1.00 0.00 H new ATOM 0 HB3 TYR A 73 4.982 -4.974 -1.669 1.00 0.00 H new ATOM 0 HD1 TYR A 73 2.912 -4.494 -2.939 1.00 0.00 H new ATOM 0 HD2 TYR A 73 3.408 -8.195 -0.884 1.00 0.00 H new ATOM 0 HE1 TYR A 73 0.502 -4.923 -3.132 1.00 0.00 H new ATOM 0 HE2 TYR A 73 0.999 -8.626 -1.077 1.00 0.00 H new ATOM 0 HH TYR A 73 -1.181 -6.276 -2.650 1.00 0.00 H new ATOM 1035 N THR A 74 5.132 -8.891 -2.556 1.00 0.00 N ATOM 1036 CA THR A 74 4.642 -10.225 -2.876 1.00 0.00 C ATOM 1037 C THR A 74 4.140 -10.940 -1.627 1.00 0.00 C ATOM 1038 O THR A 74 4.900 -11.238 -0.705 1.00 0.00 O ATOM 1039 CB THR A 74 5.736 -11.081 -3.540 1.00 0.00 C ATOM 1040 OG1 THR A 74 6.293 -10.383 -4.660 1.00 0.00 O ATOM 1041 CG2 THR A 74 5.173 -12.418 -3.998 1.00 0.00 C ATOM 0 H THR A 74 5.508 -8.795 -1.613 1.00 0.00 H new ATOM 0 HA THR A 74 3.816 -10.099 -3.576 1.00 0.00 H new ATOM 0 HB THR A 74 6.518 -11.267 -2.804 1.00 0.00 H new ATOM 0 HG1 THR A 74 6.989 -10.934 -5.076 1.00 0.00 H new ATOM 0 HG21 THR A 74 5.964 -13.005 -4.464 1.00 0.00 H new ATOM 0 HG22 THR A 74 4.777 -12.959 -3.139 1.00 0.00 H new ATOM 0 HG23 THR A 74 4.374 -12.248 -4.720 1.00 0.00 H new ATOM 1049 N PRO A 75 2.830 -11.225 -1.593 1.00 0.00 N ATOM 1050 CA PRO A 75 2.198 -11.911 -0.462 1.00 0.00 C ATOM 1051 C PRO A 75 2.618 -13.374 -0.363 1.00 0.00 C ATOM 1052 O PRO A 75 2.037 -14.241 -1.014 1.00 0.00 O ATOM 1053 CB PRO A 75 0.703 -11.804 -0.773 1.00 0.00 C ATOM 1054 CG PRO A 75 0.633 -11.663 -2.254 1.00 0.00 C ATOM 1055 CD PRO A 75 1.865 -10.899 -2.656 1.00 0.00 C ATOM 0 HA PRO A 75 2.482 -11.469 0.493 1.00 0.00 H new ATOM 0 HB2 PRO A 75 0.164 -12.688 -0.434 1.00 0.00 H new ATOM 0 HB3 PRO A 75 0.255 -10.946 -0.272 1.00 0.00 H new ATOM 0 HG2 PRO A 75 0.604 -12.639 -2.738 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -0.271 -11.132 -2.553 1.00 0.00 H new ATOM 0 HD2 PRO A 75 2.227 -11.208 -3.636 1.00 0.00 H new ATOM 0 HD3 PRO A 75 1.674 -9.827 -2.710 1.00 0.00 H new ATOM 1063 N SER A 76 3.630 -13.640 0.456 1.00 0.00 N ATOM 1064 CA SER A 76 4.131 -14.997 0.638 1.00 0.00 C ATOM 1065 C SER A 76 2.981 -16.000 0.661 1.00 0.00 C ATOM 1066 O SER A 76 2.968 -16.961 -0.108 1.00 0.00 O ATOM 1067 CB SER A 76 4.935 -15.097 1.936 1.00 0.00 C ATOM 1068 OG SER A 76 5.177 -16.450 2.282 1.00 0.00 O ATOM 0 H SER A 76 4.120 -12.933 1.005 1.00 0.00 H new ATOM 0 HA SER A 76 4.782 -15.234 -0.203 1.00 0.00 H new ATOM 0 HB2 SER A 76 5.883 -14.572 1.822 1.00 0.00 H new ATOM 0 HB3 SER A 76 4.393 -14.603 2.742 1.00 0.00 H new ATOM 0 HG SER A 76 5.694 -16.488 3.114 1.00 0.00 H new ATOM 1074 N GLN A 77 2.019 -15.769 1.548 1.00 0.00 N ATOM 1075 CA GLN A 77 0.866 -16.654 1.671 1.00 0.00 C ATOM 1076 C GLN A 77 -0.434 -15.887 1.451 1.00 0.00 C ATOM 1077 O GLN A 77 -0.437 -14.657 1.389 1.00 0.00 O ATOM 1078 CB GLN A 77 0.852 -17.319 3.048 1.00 0.00 C ATOM 1079 CG GLN A 77 0.469 -16.375 4.176 1.00 0.00 C ATOM 1080 CD GLN A 77 1.102 -16.759 5.500 1.00 0.00 C ATOM 1081 OE1 GLN A 77 1.731 -17.810 5.618 1.00 0.00 O ATOM 1082 NE2 GLN A 77 0.939 -15.906 6.504 1.00 0.00 N ATOM 0 H GLN A 77 2.015 -14.978 2.192 1.00 0.00 H new ATOM 0 HA GLN A 77 0.947 -17.424 0.904 1.00 0.00 H new ATOM 0 HB2 GLN A 77 0.152 -18.155 3.032 1.00 0.00 H new ATOM 0 HB3 GLN A 77 1.839 -17.734 3.252 1.00 0.00 H new ATOM 0 HG2 GLN A 77 0.771 -15.361 3.914 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -0.615 -16.367 4.285 1.00 0.00 H new ATOM 0 HE21 GLN A 77 0.410 -15.046 6.362 1.00 0.00 H new ATOM 0 HE22 GLN A 77 1.343 -16.111 7.418 1.00 0.00 H new ATOM 1091 N GLU A 78 -1.536 -16.621 1.333 1.00 0.00 N ATOM 1092 CA GLU A 78 -2.841 -16.009 1.117 1.00 0.00 C ATOM 1093 C GLU A 78 -3.495 -15.640 2.446 1.00 0.00 C ATOM 1094 O GLU A 78 -2.980 -15.966 3.515 1.00 0.00 O ATOM 1095 CB GLU A 78 -3.751 -16.958 0.334 1.00 0.00 C ATOM 1096 CG GLU A 78 -4.053 -18.254 1.067 1.00 0.00 C ATOM 1097 CD GLU A 78 -4.768 -18.028 2.385 1.00 0.00 C ATOM 1098 OE1 GLU A 78 -5.992 -17.780 2.360 1.00 0.00 O ATOM 1099 OE2 GLU A 78 -4.103 -18.098 3.439 1.00 0.00 O ATOM 0 H GLU A 78 -1.551 -17.640 1.383 1.00 0.00 H new ATOM 0 HA GLU A 78 -2.695 -15.097 0.538 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -4.689 -16.449 0.113 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -3.282 -17.192 -0.622 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -4.666 -18.892 0.431 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -3.121 -18.788 1.251 1.00 0.00 H new ATOM 1106 N GLY A 79 -4.634 -14.957 2.370 1.00 0.00 N ATOM 1107 CA GLY A 79 -5.338 -14.555 3.572 1.00 0.00 C ATOM 1108 C GLY A 79 -5.537 -13.054 3.653 1.00 0.00 C ATOM 1109 O GLY A 79 -5.068 -12.298 2.802 1.00 0.00 O ATOM 0 H GLY A 79 -5.081 -14.676 1.497 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -6.309 -15.049 3.603 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -4.780 -14.892 4.446 1.00 0.00 H new ATOM 1113 N PRO A 80 -6.249 -12.603 4.696 1.00 0.00 N ATOM 1114 CA PRO A 80 -6.527 -11.179 4.909 1.00 0.00 C ATOM 1115 C PRO A 80 -5.277 -10.398 5.298 1.00 0.00 C ATOM 1116 O PRO A 80 -4.968 -10.252 6.481 1.00 0.00 O ATOM 1117 CB PRO A 80 -7.536 -11.183 6.060 1.00 0.00 C ATOM 1118 CG PRO A 80 -7.274 -12.454 6.790 1.00 0.00 C ATOM 1119 CD PRO A 80 -6.838 -13.448 5.748 1.00 0.00 C ATOM 0 HA PRO A 80 -6.895 -10.695 4.004 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -7.399 -10.318 6.709 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -8.560 -11.144 5.689 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -6.501 -12.317 7.546 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -8.169 -12.798 7.308 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -6.112 -14.157 6.147 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -7.679 -14.031 5.372 1.00 0.00 H new ATOM 1127 N TYR A 81 -4.562 -9.896 4.297 1.00 0.00 N ATOM 1128 CA TYR A 81 -3.345 -9.130 4.536 1.00 0.00 C ATOM 1129 C TYR A 81 -3.674 -7.701 4.956 1.00 0.00 C ATOM 1130 O TYR A 81 -4.796 -7.231 4.772 1.00 0.00 O ATOM 1131 CB TYR A 81 -2.472 -9.116 3.279 1.00 0.00 C ATOM 1132 CG TYR A 81 -1.467 -10.245 3.227 1.00 0.00 C ATOM 1133 CD1 TYR A 81 -1.840 -11.547 3.536 1.00 0.00 C ATOM 1134 CD2 TYR A 81 -0.146 -10.009 2.870 1.00 0.00 C ATOM 1135 CE1 TYR A 81 -0.926 -12.582 3.491 1.00 0.00 C ATOM 1136 CE2 TYR A 81 0.775 -11.037 2.821 1.00 0.00 C ATOM 1137 CZ TYR A 81 0.380 -12.322 3.131 1.00 0.00 C ATOM 1138 OH TYR A 81 1.295 -13.349 3.085 1.00 0.00 O ATOM 0 H TYR A 81 -4.805 -10.006 3.312 1.00 0.00 H new ATOM 0 HA TYR A 81 -2.797 -9.610 5.347 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -3.114 -9.172 2.400 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -1.941 -8.165 3.226 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -2.862 -11.754 3.816 1.00 0.00 H new ATOM 0 HD2 TYR A 81 0.167 -9.004 2.626 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -1.232 -13.588 3.736 1.00 0.00 H new ATOM 0 HE2 TYR A 81 1.799 -10.836 2.542 1.00 0.00 H new ATOM 0 HH TYR A 81 2.168 -12.997 2.813 1.00 0.00 H new ATOM 1148 N MET A 82 -2.685 -7.015 5.522 1.00 0.00 N ATOM 1149 CA MET A 82 -2.868 -5.639 5.967 1.00 0.00 C ATOM 1150 C MET A 82 -1.688 -4.770 5.544 1.00 0.00 C ATOM 1151 O MET A 82 -0.569 -4.949 6.024 1.00 0.00 O ATOM 1152 CB MET A 82 -3.033 -5.590 7.487 1.00 0.00 C ATOM 1153 CG MET A 82 -3.481 -4.233 8.006 1.00 0.00 C ATOM 1154 SD MET A 82 -4.165 -4.318 9.673 1.00 0.00 S ATOM 1155 CE MET A 82 -2.749 -3.814 10.646 1.00 0.00 C ATOM 0 H MET A 82 -1.750 -7.390 5.683 1.00 0.00 H new ATOM 0 HA MET A 82 -3.771 -5.248 5.498 1.00 0.00 H new ATOM 0 HB2 MET A 82 -3.760 -6.344 7.790 1.00 0.00 H new ATOM 0 HB3 MET A 82 -2.085 -5.854 7.956 1.00 0.00 H new ATOM 0 HG2 MET A 82 -2.633 -3.548 8.000 1.00 0.00 H new ATOM 0 HG3 MET A 82 -4.230 -3.819 7.331 1.00 0.00 H new ATOM 0 HE1 MET A 82 -3.014 -3.817 11.703 1.00 0.00 H new ATOM 0 HE2 MET A 82 -1.926 -4.508 10.477 1.00 0.00 H new ATOM 0 HE3 MET A 82 -2.444 -2.810 10.351 1.00 0.00 H new ATOM 1165 N VAL A 83 -1.946 -3.828 4.642 1.00 0.00 N ATOM 1166 CA VAL A 83 -0.905 -2.931 4.155 1.00 0.00 C ATOM 1167 C VAL A 83 -1.057 -1.536 4.754 1.00 0.00 C ATOM 1168 O VAL A 83 -1.850 -0.727 4.272 1.00 0.00 O ATOM 1169 CB VAL A 83 -0.930 -2.822 2.618 1.00 0.00 C ATOM 1170 CG1 VAL A 83 0.053 -1.766 2.141 1.00 0.00 C ATOM 1171 CG2 VAL A 83 -0.626 -4.172 1.986 1.00 0.00 C ATOM 0 H VAL A 83 -2.867 -3.667 4.234 1.00 0.00 H new ATOM 0 HA VAL A 83 0.049 -3.356 4.466 1.00 0.00 H new ATOM 0 HB VAL A 83 -1.929 -2.517 2.308 1.00 0.00 H new ATOM 0 HG11 VAL A 83 0.021 -1.704 1.053 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -0.216 -0.800 2.568 1.00 0.00 H new ATOM 0 HG13 VAL A 83 1.060 -2.036 2.459 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -0.647 -4.079 0.900 1.00 0.00 H new ATOM 0 HG22 VAL A 83 0.362 -4.507 2.302 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -1.374 -4.899 2.302 1.00 0.00 H new ATOM 1181 N SER A 84 -0.293 -1.264 5.806 1.00 0.00 N ATOM 1182 CA SER A 84 -0.344 0.032 6.473 1.00 0.00 C ATOM 1183 C SER A 84 0.529 1.052 5.748 1.00 0.00 C ATOM 1184 O SER A 84 1.590 0.716 5.223 1.00 0.00 O ATOM 1185 CB SER A 84 0.109 -0.101 7.928 1.00 0.00 C ATOM 1186 OG SER A 84 -0.363 0.982 8.711 1.00 0.00 O ATOM 0 H SER A 84 0.369 -1.923 6.215 1.00 0.00 H new ATOM 0 HA SER A 84 -1.376 0.383 6.452 1.00 0.00 H new ATOM 0 HB2 SER A 84 -0.258 -1.040 8.342 1.00 0.00 H new ATOM 0 HB3 SER A 84 1.198 -0.138 7.971 1.00 0.00 H new ATOM 0 HG SER A 84 -1.021 1.495 8.197 1.00 0.00 H new ATOM 1192 N VAL A 85 0.072 2.301 5.724 1.00 0.00 N ATOM 1193 CA VAL A 85 0.811 3.371 5.064 1.00 0.00 C ATOM 1194 C VAL A 85 0.756 4.658 5.878 1.00 0.00 C ATOM 1195 O VAL A 85 -0.267 4.983 6.481 1.00 0.00 O ATOM 1196 CB VAL A 85 0.260 3.645 3.652 1.00 0.00 C ATOM 1197 CG1 VAL A 85 0.861 4.922 3.083 1.00 0.00 C ATOM 1198 CG2 VAL A 85 0.532 2.463 2.735 1.00 0.00 C ATOM 0 H VAL A 85 -0.805 2.596 6.153 1.00 0.00 H new ATOM 0 HA VAL A 85 1.846 3.039 4.983 1.00 0.00 H new ATOM 0 HB VAL A 85 -0.819 3.780 3.722 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.460 5.100 2.085 1.00 0.00 H new ATOM 0 HG12 VAL A 85 0.609 5.762 3.730 1.00 0.00 H new ATOM 0 HG13 VAL A 85 1.945 4.820 3.026 1.00 0.00 H new ATOM 0 HG21 VAL A 85 0.136 2.674 1.742 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.607 2.294 2.669 1.00 0.00 H new ATOM 0 HG23 VAL A 85 0.049 1.572 3.136 1.00 0.00 H new ATOM 1208 N LYS A 86 1.866 5.390 5.893 1.00 0.00 N ATOM 1209 CA LYS A 86 1.946 6.645 6.632 1.00 0.00 C ATOM 1210 C LYS A 86 2.458 7.770 5.740 1.00 0.00 C ATOM 1211 O LYS A 86 2.908 7.531 4.618 1.00 0.00 O ATOM 1212 CB LYS A 86 2.861 6.487 7.848 1.00 0.00 C ATOM 1213 CG LYS A 86 2.459 7.355 9.028 1.00 0.00 C ATOM 1214 CD LYS A 86 3.170 6.927 10.302 1.00 0.00 C ATOM 1215 CE LYS A 86 2.571 7.602 11.526 1.00 0.00 C ATOM 1216 NZ LYS A 86 3.098 7.021 12.792 1.00 0.00 N ATOM 0 H LYS A 86 2.723 5.135 5.401 1.00 0.00 H new ATOM 0 HA LYS A 86 0.943 6.903 6.971 1.00 0.00 H new ATOM 0 HB2 LYS A 86 2.861 5.442 8.159 1.00 0.00 H new ATOM 0 HB3 LYS A 86 3.883 6.733 7.558 1.00 0.00 H new ATOM 0 HG2 LYS A 86 2.694 8.397 8.811 1.00 0.00 H new ATOM 0 HG3 LYS A 86 1.381 7.295 9.174 1.00 0.00 H new ATOM 0 HD2 LYS A 86 3.102 5.845 10.412 1.00 0.00 H new ATOM 0 HD3 LYS A 86 4.229 7.175 10.230 1.00 0.00 H new ATOM 0 HE2 LYS A 86 2.791 8.669 11.497 1.00 0.00 H new ATOM 0 HE3 LYS A 86 1.486 7.500 11.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 2.666 7.507 13.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 2.866 6.008 12.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 4.130 7.141 12.826 1.00 0.00 H new ATOM 1230 N TYR A 87 2.390 8.996 6.244 1.00 0.00 N ATOM 1231 CA TYR A 87 2.847 10.159 5.491 1.00 0.00 C ATOM 1232 C TYR A 87 3.209 11.307 6.429 1.00 0.00 C ATOM 1233 O TYR A 87 2.337 11.920 7.043 1.00 0.00 O ATOM 1234 CB TYR A 87 1.768 10.612 4.506 1.00 0.00 C ATOM 1235 CG TYR A 87 2.320 11.265 3.260 1.00 0.00 C ATOM 1236 CD1 TYR A 87 2.854 10.500 2.230 1.00 0.00 C ATOM 1237 CD2 TYR A 87 2.311 12.647 3.113 1.00 0.00 C ATOM 1238 CE1 TYR A 87 3.360 11.091 1.089 1.00 0.00 C ATOM 1239 CE2 TYR A 87 2.815 13.247 1.975 1.00 0.00 C ATOM 1240 CZ TYR A 87 3.339 12.465 0.966 1.00 0.00 C ATOM 1241 OH TYR A 87 3.843 13.059 -0.168 1.00 0.00 O ATOM 0 H TYR A 87 2.023 9.211 7.171 1.00 0.00 H new ATOM 0 HA TYR A 87 3.740 9.872 4.935 1.00 0.00 H new ATOM 0 HB2 TYR A 87 1.166 9.750 4.218 1.00 0.00 H new ATOM 0 HB3 TYR A 87 1.101 11.313 5.008 1.00 0.00 H new ATOM 0 HD1 TYR A 87 2.874 9.424 2.324 1.00 0.00 H new ATOM 0 HD2 TYR A 87 1.903 13.262 3.901 1.00 0.00 H new ATOM 0 HE1 TYR A 87 3.770 10.481 0.298 1.00 0.00 H new ATOM 0 HE2 TYR A 87 2.799 14.322 1.876 1.00 0.00 H new ATOM 0 HH TYR A 87 4.819 13.119 -0.100 1.00 0.00 H new ATOM 1251 N ALA A 88 4.504 11.592 6.532 1.00 0.00 N ATOM 1252 CA ALA A 88 4.983 12.667 7.392 1.00 0.00 C ATOM 1253 C ALA A 88 4.643 12.394 8.853 1.00 0.00 C ATOM 1254 O ALA A 88 4.251 13.300 9.589 1.00 0.00 O ATOM 1255 CB ALA A 88 4.394 13.998 6.951 1.00 0.00 C ATOM 0 H ALA A 88 5.239 11.093 6.031 1.00 0.00 H new ATOM 0 HA ALA A 88 6.068 12.715 7.302 1.00 0.00 H new ATOM 0 HB1 ALA A 88 4.760 14.792 7.602 1.00 0.00 H new ATOM 0 HB2 ALA A 88 4.692 14.205 5.923 1.00 0.00 H new ATOM 0 HB3 ALA A 88 3.307 13.952 7.011 1.00 0.00 H new ATOM 1261 N ASP A 89 4.795 11.141 9.267 1.00 0.00 N ATOM 1262 CA ASP A 89 4.505 10.749 10.641 1.00 0.00 C ATOM 1263 C ASP A 89 3.022 10.929 10.957 1.00 0.00 C ATOM 1264 O ASP A 89 2.657 11.301 12.070 1.00 0.00 O ATOM 1265 CB ASP A 89 5.349 11.570 11.617 1.00 0.00 C ATOM 1266 CG ASP A 89 6.677 10.907 11.931 1.00 0.00 C ATOM 1267 OD1 ASP A 89 7.166 10.128 11.087 1.00 0.00 O ATOM 1268 OD2 ASP A 89 7.227 11.170 13.021 1.00 0.00 O ATOM 0 H ASP A 89 5.118 10.379 8.670 1.00 0.00 H new ATOM 0 HA ASP A 89 4.757 9.694 10.752 1.00 0.00 H new ATOM 0 HB2 ASP A 89 5.530 12.558 11.194 1.00 0.00 H new ATOM 0 HB3 ASP A 89 4.791 11.716 12.542 1.00 0.00 H new ATOM 1273 N GLU A 90 2.176 10.663 9.966 1.00 0.00 N ATOM 1274 CA GLU A 90 0.734 10.798 10.138 1.00 0.00 C ATOM 1275 C GLU A 90 -0.012 9.762 9.304 1.00 0.00 C ATOM 1276 O GLU A 90 -0.114 9.889 8.085 1.00 0.00 O ATOM 1277 CB GLU A 90 0.282 12.207 9.748 1.00 0.00 C ATOM 1278 CG GLU A 90 0.781 13.290 10.689 1.00 0.00 C ATOM 1279 CD GLU A 90 -0.036 14.564 10.596 1.00 0.00 C ATOM 1280 OE1 GLU A 90 -1.066 14.661 11.296 1.00 0.00 O ATOM 1281 OE2 GLU A 90 0.356 15.465 9.825 1.00 0.00 O ATOM 0 H GLU A 90 2.464 10.353 9.038 1.00 0.00 H new ATOM 0 HA GLU A 90 0.501 10.628 11.189 1.00 0.00 H new ATOM 0 HB2 GLU A 90 0.632 12.425 8.739 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -0.807 12.235 9.721 1.00 0.00 H new ATOM 0 HG2 GLU A 90 0.752 12.918 11.713 1.00 0.00 H new ATOM 0 HG3 GLU A 90 1.823 13.513 10.460 1.00 0.00 H new ATOM 1288 N GLU A 91 -0.532 8.737 9.972 1.00 0.00 N ATOM 1289 CA GLU A 91 -1.269 7.677 9.291 1.00 0.00 C ATOM 1290 C GLU A 91 -2.376 8.260 8.416 1.00 0.00 C ATOM 1291 O GLU A 91 -3.306 8.895 8.915 1.00 0.00 O ATOM 1292 CB GLU A 91 -1.866 6.706 10.310 1.00 0.00 C ATOM 1293 CG GLU A 91 -0.979 5.507 10.603 1.00 0.00 C ATOM 1294 CD GLU A 91 -1.261 4.890 11.959 1.00 0.00 C ATOM 1295 OE1 GLU A 91 -0.681 5.361 12.958 1.00 0.00 O ATOM 1296 OE2 GLU A 91 -2.062 3.934 12.019 1.00 0.00 O ATOM 0 H GLU A 91 -0.457 8.618 10.982 1.00 0.00 H new ATOM 0 HA GLU A 91 -0.571 7.137 8.651 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -2.057 7.241 11.240 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -2.829 6.353 9.941 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -1.124 4.754 9.828 1.00 0.00 H new ATOM 0 HG3 GLU A 91 0.066 5.813 10.558 1.00 0.00 H new ATOM 1303 N ILE A 92 -2.267 8.039 7.111 1.00 0.00 N ATOM 1304 CA ILE A 92 -3.259 8.539 6.168 1.00 0.00 C ATOM 1305 C ILE A 92 -4.659 8.061 6.534 1.00 0.00 C ATOM 1306 O ILE A 92 -4.841 7.013 7.156 1.00 0.00 O ATOM 1307 CB ILE A 92 -2.939 8.099 4.727 1.00 0.00 C ATOM 1308 CG1 ILE A 92 -2.938 6.572 4.625 1.00 0.00 C ATOM 1309 CG2 ILE A 92 -1.597 8.664 4.286 1.00 0.00 C ATOM 1310 CD1 ILE A 92 -2.868 6.061 3.203 1.00 0.00 C ATOM 0 H ILE A 92 -1.502 7.517 6.683 1.00 0.00 H new ATOM 0 HA ILE A 92 -3.224 9.627 6.224 1.00 0.00 H new ATOM 0 HB ILE A 92 -3.712 8.489 4.064 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -2.090 6.179 5.186 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -3.840 6.184 5.098 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -1.385 8.344 3.266 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -1.630 9.753 4.326 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -0.813 8.300 4.950 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -2.871 4.971 3.207 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -3.730 6.424 2.643 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -1.952 6.419 2.732 1.00 0.00 H new ATOM 1322 N PRO A 93 -5.675 8.843 6.139 1.00 0.00 N ATOM 1323 CA PRO A 93 -7.077 8.517 6.413 1.00 0.00 C ATOM 1324 C PRO A 93 -7.562 7.315 5.610 1.00 0.00 C ATOM 1325 O PRO A 93 -8.740 6.961 5.653 1.00 0.00 O ATOM 1326 CB PRO A 93 -7.826 9.782 5.987 1.00 0.00 C ATOM 1327 CG PRO A 93 -6.940 10.422 4.973 1.00 0.00 C ATOM 1328 CD PRO A 93 -5.532 10.105 5.394 1.00 0.00 C ATOM 0 HA PRO A 93 -7.234 8.243 7.456 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -8.802 9.541 5.565 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -8.000 10.444 6.835 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -7.145 10.034 3.975 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -7.103 11.499 4.936 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -4.871 9.992 4.534 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -5.112 10.894 6.017 1.00 0.00 H new ATOM 1336 N ARG A 94 -6.645 6.692 4.875 1.00 0.00 N ATOM 1337 CA ARG A 94 -6.980 5.530 4.061 1.00 0.00 C ATOM 1338 C ARG A 94 -6.222 4.294 4.539 1.00 0.00 C ATOM 1339 O ARG A 94 -6.327 3.222 3.944 1.00 0.00 O ATOM 1340 CB ARG A 94 -6.658 5.803 2.590 1.00 0.00 C ATOM 1341 CG ARG A 94 -7.472 6.937 1.989 1.00 0.00 C ATOM 1342 CD ARG A 94 -8.952 6.595 1.939 1.00 0.00 C ATOM 1343 NE ARG A 94 -9.750 7.693 1.400 1.00 0.00 N ATOM 1344 CZ ARG A 94 -9.857 7.954 0.102 1.00 0.00 C ATOM 1345 NH1 ARG A 94 -9.221 7.201 -0.784 1.00 0.00 N ATOM 1346 NH2 ARG A 94 -10.601 8.971 -0.312 1.00 0.00 N ATOM 0 H ARG A 94 -5.666 6.973 4.827 1.00 0.00 H new ATOM 0 HA ARG A 94 -8.049 5.341 4.163 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -5.598 6.039 2.497 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -6.835 4.895 2.014 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -7.327 7.843 2.578 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -7.113 7.150 0.982 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -9.098 5.706 1.326 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -9.302 6.351 2.942 1.00 0.00 H new ATOM 0 HE ARG A 94 -10.252 8.292 2.056 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -8.647 6.418 -0.470 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -9.305 7.404 -1.780 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -11.092 9.553 0.367 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -10.683 9.171 -1.309 1.00 0.00 H new ATOM 1360 N SER A 95 -5.459 4.455 5.615 1.00 0.00 N ATOM 1361 CA SER A 95 -4.680 3.354 6.170 1.00 0.00 C ATOM 1362 C SER A 95 -5.152 3.011 7.580 1.00 0.00 C ATOM 1363 O SER A 95 -5.699 3.847 8.299 1.00 0.00 O ATOM 1364 CB SER A 95 -3.193 3.713 6.192 1.00 0.00 C ATOM 1365 OG SER A 95 -2.537 3.108 7.291 1.00 0.00 O ATOM 0 H SER A 95 -5.363 5.336 6.120 1.00 0.00 H new ATOM 0 HA SER A 95 -4.827 2.481 5.534 1.00 0.00 H new ATOM 0 HB2 SER A 95 -2.724 3.390 5.262 1.00 0.00 H new ATOM 0 HB3 SER A 95 -3.078 4.796 6.247 1.00 0.00 H new ATOM 0 HG SER A 95 -1.905 3.745 7.686 1.00 0.00 H new ATOM 1371 N PRO A 96 -4.935 1.752 7.986 1.00 0.00 N ATOM 1372 CA PRO A 96 -4.285 0.747 7.137 1.00 0.00 C ATOM 1373 C PRO A 96 -5.162 0.323 5.965 1.00 0.00 C ATOM 1374 O PRO A 96 -6.281 0.810 5.806 1.00 0.00 O ATOM 1375 CB PRO A 96 -4.060 -0.429 8.091 1.00 0.00 C ATOM 1376 CG PRO A 96 -5.104 -0.271 9.141 1.00 0.00 C ATOM 1377 CD PRO A 96 -5.309 1.210 9.303 1.00 0.00 C ATOM 0 HA PRO A 96 -3.370 1.127 6.683 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -4.160 -1.383 7.574 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -3.059 -0.404 8.521 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -6.031 -0.763 8.847 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -4.786 -0.726 10.079 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -6.342 1.447 9.557 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -4.684 1.618 10.098 1.00 0.00 H new ATOM 1385 N PHE A 97 -4.647 -0.588 5.146 1.00 0.00 N ATOM 1386 CA PHE A 97 -5.384 -1.078 3.987 1.00 0.00 C ATOM 1387 C PHE A 97 -5.657 -2.574 4.109 1.00 0.00 C ATOM 1388 O PHE A 97 -4.747 -3.364 4.362 1.00 0.00 O ATOM 1389 CB PHE A 97 -4.603 -0.793 2.702 1.00 0.00 C ATOM 1390 CG PHE A 97 -4.552 0.665 2.342 1.00 0.00 C ATOM 1391 CD1 PHE A 97 -3.601 1.499 2.908 1.00 0.00 C ATOM 1392 CD2 PHE A 97 -5.454 1.201 1.438 1.00 0.00 C ATOM 1393 CE1 PHE A 97 -3.552 2.840 2.580 1.00 0.00 C ATOM 1394 CE2 PHE A 97 -5.410 2.542 1.105 1.00 0.00 C ATOM 1395 CZ PHE A 97 -4.458 3.362 1.676 1.00 0.00 C ATOM 0 H PHE A 97 -3.722 -1.002 5.263 1.00 0.00 H new ATOM 0 HA PHE A 97 -6.339 -0.555 3.947 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -3.585 -1.167 2.814 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -5.057 -1.346 1.880 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -2.890 1.096 3.614 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -6.201 0.564 0.988 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -2.807 3.480 3.029 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -6.120 2.947 0.399 1.00 0.00 H new ATOM 0 HZ PHE A 97 -4.421 4.410 1.417 1.00 0.00 H new ATOM 1405 N LYS A 98 -6.916 -2.956 3.927 1.00 0.00 N ATOM 1406 CA LYS A 98 -7.311 -4.357 4.015 1.00 0.00 C ATOM 1407 C LYS A 98 -7.295 -5.014 2.638 1.00 0.00 C ATOM 1408 O LYS A 98 -8.162 -4.752 1.804 1.00 0.00 O ATOM 1409 CB LYS A 98 -8.706 -4.477 4.633 1.00 0.00 C ATOM 1410 CG LYS A 98 -8.756 -4.093 6.102 1.00 0.00 C ATOM 1411 CD LYS A 98 -10.156 -3.679 6.523 1.00 0.00 C ATOM 1412 CE LYS A 98 -10.270 -3.558 8.034 1.00 0.00 C ATOM 1413 NZ LYS A 98 -10.340 -4.890 8.695 1.00 0.00 N ATOM 0 H LYS A 98 -7.681 -2.315 3.717 1.00 0.00 H new ATOM 0 HA LYS A 98 -6.592 -4.872 4.652 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -9.396 -3.843 4.077 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -9.056 -5.503 4.522 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -8.426 -4.935 6.710 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -8.062 -3.274 6.289 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -10.409 -2.725 6.060 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -10.878 -4.411 6.160 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -9.413 -3.006 8.419 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -11.160 -2.981 8.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -10.536 -4.765 9.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -11.100 -5.453 8.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -9.433 -5.385 8.576 1.00 0.00 H new ATOM 1427 N VAL A 99 -6.305 -5.871 2.408 1.00 0.00 N ATOM 1428 CA VAL A 99 -6.178 -6.568 1.133 1.00 0.00 C ATOM 1429 C VAL A 99 -6.256 -8.078 1.323 1.00 0.00 C ATOM 1430 O VAL A 99 -5.321 -8.702 1.826 1.00 0.00 O ATOM 1431 CB VAL A 99 -4.854 -6.217 0.431 1.00 0.00 C ATOM 1432 CG1 VAL A 99 -4.691 -7.034 -0.841 1.00 0.00 C ATOM 1433 CG2 VAL A 99 -4.789 -4.728 0.130 1.00 0.00 C ATOM 0 H VAL A 99 -5.579 -6.099 3.088 1.00 0.00 H new ATOM 0 HA VAL A 99 -7.009 -6.240 0.508 1.00 0.00 H new ATOM 0 HB VAL A 99 -4.031 -6.465 1.101 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -3.749 -6.772 -1.323 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -4.689 -8.096 -0.594 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -5.518 -6.821 -1.519 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -3.846 -4.498 -0.366 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -5.619 -4.452 -0.521 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -4.856 -4.165 1.061 1.00 0.00 H new ATOM 1443 N LYS A 100 -7.377 -8.664 0.917 1.00 0.00 N ATOM 1444 CA LYS A 100 -7.578 -10.103 1.040 1.00 0.00 C ATOM 1445 C LYS A 100 -6.910 -10.846 -0.113 1.00 0.00 C ATOM 1446 O LYS A 100 -7.404 -10.835 -1.241 1.00 0.00 O ATOM 1447 CB LYS A 100 -9.073 -10.429 1.073 1.00 0.00 C ATOM 1448 CG LYS A 100 -9.378 -11.837 1.556 1.00 0.00 C ATOM 1449 CD LYS A 100 -10.744 -12.305 1.084 1.00 0.00 C ATOM 1450 CE LYS A 100 -10.663 -12.979 -0.277 1.00 0.00 C ATOM 1451 NZ LYS A 100 -11.980 -13.527 -0.705 1.00 0.00 N ATOM 0 H LYS A 100 -8.162 -8.164 0.499 1.00 0.00 H new ATOM 0 HA LYS A 100 -7.120 -10.430 1.974 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -9.578 -9.714 1.722 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -9.487 -10.299 0.073 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -8.612 -12.521 1.192 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -9.339 -11.865 2.645 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -11.163 -13.001 1.811 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -11.423 -11.454 1.030 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -10.311 -12.261 -1.017 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -9.929 -13.784 -0.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -11.830 -14.297 -1.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -12.489 -13.894 0.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -12.541 -12.773 -1.150 1.00 0.00 H new ATOM 1465 N VAL A 101 -5.786 -11.492 0.177 1.00 0.00 N ATOM 1466 CA VAL A 101 -5.053 -12.243 -0.835 1.00 0.00 C ATOM 1467 C VAL A 101 -5.756 -13.555 -1.164 1.00 0.00 C ATOM 1468 O VAL A 101 -6.466 -14.118 -0.329 1.00 0.00 O ATOM 1469 CB VAL A 101 -3.614 -12.545 -0.376 1.00 0.00 C ATOM 1470 CG1 VAL A 101 -2.852 -13.289 -1.462 1.00 0.00 C ATOM 1471 CG2 VAL A 101 -2.895 -11.260 0.006 1.00 0.00 C ATOM 0 H VAL A 101 -5.363 -11.511 1.105 1.00 0.00 H new ATOM 0 HA VAL A 101 -5.019 -11.620 -1.729 1.00 0.00 H new ATOM 0 HB VAL A 101 -3.660 -13.184 0.506 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -1.838 -13.494 -1.120 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -3.357 -14.229 -1.682 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -2.814 -12.678 -2.364 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -1.880 -11.493 0.328 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -2.859 -10.593 -0.856 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -3.431 -10.772 0.820 1.00 0.00 H new ATOM 1481 N LEU A 102 -5.555 -14.038 -2.384 1.00 0.00 N ATOM 1482 CA LEU A 102 -6.169 -15.285 -2.824 1.00 0.00 C ATOM 1483 C LEU A 102 -5.106 -16.328 -3.158 1.00 0.00 C ATOM 1484 O LEU A 102 -3.968 -16.003 -3.496 1.00 0.00 O ATOM 1485 CB LEU A 102 -7.057 -15.037 -4.045 1.00 0.00 C ATOM 1486 CG LEU A 102 -8.364 -14.288 -3.783 1.00 0.00 C ATOM 1487 CD1 LEU A 102 -8.980 -13.813 -5.091 1.00 0.00 C ATOM 1488 CD2 LEU A 102 -9.342 -15.172 -3.022 1.00 0.00 C ATOM 0 H LEU A 102 -4.971 -13.585 -3.087 1.00 0.00 H new ATOM 0 HA LEU A 102 -6.782 -15.666 -2.008 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -6.481 -14.475 -4.780 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -7.297 -16.000 -4.496 1.00 0.00 H new ATOM 0 HG LEU A 102 -8.142 -13.414 -3.171 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -9.909 -13.282 -4.884 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -8.285 -13.144 -5.599 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -9.187 -14.672 -5.729 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -10.267 -14.623 -2.844 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -9.558 -16.065 -3.609 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -8.903 -15.462 -2.067 1.00 0.00 H new ATOM 1500 N PRO A 103 -5.486 -17.611 -3.064 1.00 0.00 N ATOM 1501 CA PRO A 103 -4.582 -18.728 -3.355 1.00 0.00 C ATOM 1502 C PRO A 103 -4.248 -18.833 -4.839 1.00 0.00 C ATOM 1503 O PRO A 103 -5.140 -18.966 -5.679 1.00 0.00 O ATOM 1504 CB PRO A 103 -5.374 -19.955 -2.897 1.00 0.00 C ATOM 1505 CG PRO A 103 -6.801 -19.540 -2.989 1.00 0.00 C ATOM 1506 CD PRO A 103 -6.828 -18.071 -2.669 1.00 0.00 C ATOM 0 HA PRO A 103 -3.620 -18.614 -2.855 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -5.171 -20.817 -3.532 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -5.109 -20.240 -1.879 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -7.199 -19.729 -3.986 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -7.417 -20.103 -2.288 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -7.610 -17.553 -3.224 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -7.018 -17.894 -1.610 1.00 0.00 H new ATOM 1514 N THR A 104 -2.959 -18.772 -5.158 1.00 0.00 N ATOM 1515 CA THR A 104 -2.509 -18.859 -6.541 1.00 0.00 C ATOM 1516 C THR A 104 -3.391 -19.805 -7.348 1.00 0.00 C ATOM 1517 O THR A 104 -3.595 -19.608 -8.546 1.00 0.00 O ATOM 1518 CB THR A 104 -1.047 -19.340 -6.626 1.00 0.00 C ATOM 1519 OG1 THR A 104 -0.179 -18.379 -6.015 1.00 0.00 O ATOM 1520 CG2 THR A 104 -0.632 -19.556 -8.074 1.00 0.00 C ATOM 0 H THR A 104 -2.208 -18.663 -4.476 1.00 0.00 H new ATOM 0 HA THR A 104 -2.579 -17.855 -6.960 1.00 0.00 H new ATOM 0 HB THR A 104 -0.969 -20.289 -6.096 1.00 0.00 H new ATOM 0 HG1 THR A 104 -0.652 -17.526 -5.918 1.00 0.00 H new ATOM 0 HG21 THR A 104 0.403 -19.895 -8.109 1.00 0.00 H new ATOM 0 HG22 THR A 104 -1.276 -20.309 -8.529 1.00 0.00 H new ATOM 0 HG23 THR A 104 -0.726 -18.619 -8.623 1.00 0.00 H new ATOM 1528 N TYR A 105 -3.911 -20.832 -6.685 1.00 0.00 N ATOM 1529 CA TYR A 105 -4.770 -21.809 -7.342 1.00 0.00 C ATOM 1530 C TYR A 105 -6.234 -21.387 -7.263 1.00 0.00 C ATOM 1531 O TYR A 105 -7.122 -22.220 -7.076 1.00 0.00 O ATOM 1532 CB TYR A 105 -4.590 -23.188 -6.702 1.00 0.00 C ATOM 1533 CG TYR A 105 -3.349 -23.914 -7.170 1.00 0.00 C ATOM 1534 CD1 TYR A 105 -2.100 -23.311 -7.100 1.00 0.00 C ATOM 1535 CD2 TYR A 105 -3.427 -25.203 -7.683 1.00 0.00 C ATOM 1536 CE1 TYR A 105 -0.963 -23.971 -7.527 1.00 0.00 C ATOM 1537 CE2 TYR A 105 -2.295 -25.871 -8.111 1.00 0.00 C ATOM 1538 CZ TYR A 105 -1.066 -25.250 -8.031 1.00 0.00 C ATOM 1539 OH TYR A 105 0.063 -25.912 -8.457 1.00 0.00 O ATOM 0 H TYR A 105 -3.752 -21.009 -5.693 1.00 0.00 H new ATOM 0 HA TYR A 105 -4.482 -21.862 -8.392 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -4.548 -23.074 -5.619 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -5.464 -23.800 -6.924 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -2.016 -22.309 -6.705 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -4.388 -25.691 -7.748 1.00 0.00 H new ATOM 0 HE1 TYR A 105 0.001 -23.487 -7.466 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -2.372 -26.873 -8.506 1.00 0.00 H new ATOM 0 HH TYR A 105 -0.183 -26.803 -8.782 1.00 0.00 H new