USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 571 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 73 ASN : amide:sc= -3.35! C(o=-7!,f=-13!) USER MOD Set 1.2: A 76 GLN :FLIP amide:sc= -3.66! C(o=-9.5!,f=-7!) USER MOD Set 2.1: A 24 ASN : amide:sc= 0.12 K(o=0.93,f=-3!) USER MOD Set 2.2: A 66 GLN : amide:sc= 0.808 K(o=0.93,f=-3) USER MOD Set 3.1: A 23 THR OG1 : rot 180:sc= 0.0239 USER MOD Set 3.2: A 25 ASN : amide:sc= -1.87! C(o=-1.8!,f=-5.5!) USER MOD Set 4.1: A 8 LYS NZ :NH3+ 164:sc= 0.172 (180deg=0.235) USER MOD Set 4.2: A 19 GLN : amide:sc= -0.34 X(o=-0.17,f=0.19) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= -0.178 K(o=-0.18,f=-1.3!) USER MOD Single : A 14 GLN : amide:sc= -5.92! C(o=-5.9!,f=-7.6!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot -170:sc=-0.00405 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot -98:sc= 0.0338 USER MOD Single : A 64 THR OG1 : rot 180:sc= -1.62! USER MOD Single : A 71 TYR OH : rot 154:sc= 0.411 USER MOD Single : A 75 HIS : no HE2:sc= -2.55! C(o=-2.5!,f=-3.6!) USER MOD ----------------------------------------------------------------- ATOM 26 N ILE A 3 -3.175 -8.522 -10.441 1.00 0.00 N ATOM 27 CA ILE A 3 -2.395 -7.867 -9.404 1.00 0.00 C ATOM 28 C ILE A 3 -2.844 -6.410 -9.278 1.00 0.00 C ATOM 29 O ILE A 3 -3.498 -6.041 -8.304 1.00 0.00 O ATOM 30 CB ILE A 3 -0.898 -8.028 -9.678 1.00 0.00 C ATOM 31 CG1 ILE A 3 -0.324 -9.217 -8.904 1.00 0.00 C ATOM 32 CG2 ILE A 3 -0.144 -6.731 -9.378 1.00 0.00 C ATOM 33 CD1 ILE A 3 0.371 -8.753 -7.622 1.00 0.00 C ATOM 0 HA ILE A 3 -2.572 -8.340 -8.438 1.00 0.00 H new ATOM 0 HB ILE A 3 -0.765 -8.240 -10.739 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -1.124 -9.915 -8.656 1.00 0.00 H new ATOM 0 HG13 ILE A 3 0.386 -9.756 -9.532 1.00 0.00 H new ATOM 0 HG21 ILE A 3 0.918 -6.872 -9.581 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -0.531 -5.931 -10.009 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -0.281 -6.465 -8.330 1.00 0.00 H new ATOM 0 HD11 ILE A 3 0.770 -9.617 -7.091 1.00 0.00 H new ATOM 0 HD12 ILE A 3 1.186 -8.075 -7.875 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -0.347 -8.236 -6.986 1.00 0.00 H new ATOM 45 N GLU A 4 -2.475 -5.622 -10.277 1.00 0.00 N ATOM 46 CA GLU A 4 -2.832 -4.213 -10.290 1.00 0.00 C ATOM 47 C GLU A 4 -4.280 -4.028 -9.832 1.00 0.00 C ATOM 48 O GLU A 4 -4.594 -3.071 -9.126 1.00 0.00 O ATOM 49 CB GLU A 4 -2.613 -3.605 -11.676 1.00 0.00 C ATOM 50 CG GLU A 4 -3.390 -2.296 -11.830 1.00 0.00 C ATOM 51 CD GLU A 4 -4.659 -2.505 -12.658 1.00 0.00 C ATOM 52 OE1 GLU A 4 -4.688 -2.156 -13.848 1.00 0.00 O ATOM 53 OE2 GLU A 4 -5.640 -3.054 -12.025 1.00 0.00 O ATOM 0 H GLU A 4 -1.933 -5.932 -11.083 1.00 0.00 H new ATOM 0 HA GLU A 4 -2.181 -3.687 -9.592 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -1.550 -3.422 -11.833 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -2.931 -4.313 -12.442 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -3.653 -1.908 -10.846 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -2.758 -1.548 -12.309 1.00 0.00 H new ATOM 61 N GLU A 5 -5.124 -4.959 -10.253 1.00 0.00 N ATOM 62 CA GLU A 5 -6.531 -4.911 -9.895 1.00 0.00 C ATOM 63 C GLU A 5 -6.690 -4.810 -8.377 1.00 0.00 C ATOM 64 O GLU A 5 -7.395 -3.933 -7.880 1.00 0.00 O ATOM 65 CB GLU A 5 -7.279 -6.127 -10.445 1.00 0.00 C ATOM 66 CG GLU A 5 -8.580 -6.365 -9.675 1.00 0.00 C ATOM 67 CD GLU A 5 -9.685 -6.863 -10.608 1.00 0.00 C ATOM 68 OE1 GLU A 5 -9.523 -6.827 -11.837 1.00 0.00 O ATOM 69 OE2 GLU A 5 -10.743 -7.301 -10.014 1.00 0.00 O ATOM 0 H GLU A 5 -4.860 -5.751 -10.839 1.00 0.00 H new ATOM 0 HA GLU A 5 -6.970 -4.021 -10.346 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -7.500 -5.975 -11.501 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -6.644 -7.011 -10.376 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -8.410 -7.095 -8.884 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -8.896 -5.440 -9.192 1.00 0.00 H new ATOM 77 N ARG A 6 -6.021 -5.719 -7.682 1.00 0.00 N ATOM 78 CA ARG A 6 -6.079 -5.743 -6.231 1.00 0.00 C ATOM 79 C ARG A 6 -5.334 -4.540 -5.650 1.00 0.00 C ATOM 80 O ARG A 6 -5.732 -3.995 -4.621 1.00 0.00 O ATOM 81 CB ARG A 6 -5.466 -7.030 -5.676 1.00 0.00 C ATOM 82 CG ARG A 6 -6.369 -8.233 -5.956 1.00 0.00 C ATOM 83 CD ARG A 6 -5.868 -9.478 -5.222 1.00 0.00 C ATOM 84 NE ARG A 6 -5.361 -10.470 -6.196 1.00 0.00 N ATOM 85 CZ ARG A 6 -4.476 -11.444 -5.894 1.00 0.00 C ATOM 86 NH1 ARG A 6 -3.991 -11.564 -4.640 1.00 0.00 N ATOM 87 NH2 ARG A 6 -4.091 -12.276 -6.844 1.00 0.00 N ATOM 0 H ARG A 6 -5.436 -6.444 -8.098 1.00 0.00 H new ATOM 0 HA ARG A 6 -7.129 -5.700 -5.941 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -4.487 -7.194 -6.125 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -5.311 -6.929 -4.602 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -7.388 -8.008 -5.643 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -6.400 -8.427 -7.028 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -5.077 -9.205 -4.524 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -6.676 -9.913 -4.634 1.00 0.00 H new ATOM 0 HE ARG A 6 -5.702 -10.414 -7.156 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -4.293 -10.916 -3.912 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -3.323 -12.303 -4.420 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -4.461 -12.177 -7.789 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -3.423 -13.017 -6.633 1.00 0.00 H new ATOM 100 N VAL A 7 -4.264 -4.160 -6.334 1.00 0.00 N ATOM 101 CA VAL A 7 -3.459 -3.031 -5.898 1.00 0.00 C ATOM 102 C VAL A 7 -4.361 -1.809 -5.713 1.00 0.00 C ATOM 103 O VAL A 7 -4.484 -1.287 -4.606 1.00 0.00 O ATOM 104 CB VAL A 7 -2.319 -2.788 -6.889 1.00 0.00 C ATOM 105 CG1 VAL A 7 -1.485 -1.574 -6.478 1.00 0.00 C ATOM 106 CG2 VAL A 7 -1.442 -4.034 -7.032 1.00 0.00 C ATOM 0 H VAL A 7 -3.936 -4.614 -7.187 1.00 0.00 H new ATOM 0 HA VAL A 7 -2.995 -3.242 -4.934 1.00 0.00 H new ATOM 0 HB VAL A 7 -2.761 -2.576 -7.863 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -0.682 -1.424 -7.199 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -2.120 -0.688 -6.452 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -1.058 -1.744 -5.489 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -0.639 -3.834 -7.742 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -1.014 -4.291 -6.063 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -2.047 -4.866 -7.393 1.00 0.00 H new ATOM 116 N LYS A 8 -4.967 -1.388 -6.813 1.00 0.00 N ATOM 117 CA LYS A 8 -5.854 -0.237 -6.785 1.00 0.00 C ATOM 118 C LYS A 8 -6.823 -0.373 -5.609 1.00 0.00 C ATOM 119 O LYS A 8 -7.135 0.611 -4.941 1.00 0.00 O ATOM 120 CB LYS A 8 -6.548 -0.064 -8.137 1.00 0.00 C ATOM 121 CG LYS A 8 -5.816 0.964 -9.002 1.00 0.00 C ATOM 122 CD LYS A 8 -5.152 0.293 -10.207 1.00 0.00 C ATOM 123 CE LYS A 8 -5.939 0.568 -11.490 1.00 0.00 C ATOM 124 NZ LYS A 8 -7.116 -0.325 -11.576 1.00 0.00 N ATOM 0 H LYS A 8 -4.861 -1.823 -7.730 1.00 0.00 H new ATOM 0 HA LYS A 8 -5.285 0.679 -6.625 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -6.584 -1.022 -8.656 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -7.579 0.254 -7.982 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -6.519 1.723 -9.345 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -5.062 1.476 -8.405 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -4.132 0.661 -10.316 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -5.087 -0.782 -10.039 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -6.262 1.609 -11.510 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -5.296 0.417 -12.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -7.779 0.042 -12.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -6.808 -1.280 -11.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -7.589 -0.365 -10.651 1.00 0.00 H new ATOM 137 N LYS A 9 -7.272 -1.601 -5.392 1.00 0.00 N ATOM 138 CA LYS A 9 -8.199 -1.878 -4.308 1.00 0.00 C ATOM 139 C LYS A 9 -7.571 -1.444 -2.982 1.00 0.00 C ATOM 140 O LYS A 9 -8.069 -0.532 -2.325 1.00 0.00 O ATOM 141 CB LYS A 9 -8.629 -3.347 -4.334 1.00 0.00 C ATOM 142 CG LYS A 9 -10.138 -3.480 -4.119 1.00 0.00 C ATOM 143 CD LYS A 9 -10.884 -3.477 -5.455 1.00 0.00 C ATOM 144 CE LYS A 9 -12.276 -4.095 -5.307 1.00 0.00 C ATOM 145 NZ LYS A 9 -12.206 -5.567 -5.439 1.00 0.00 N ATOM 0 H LYS A 9 -7.011 -2.415 -5.949 1.00 0.00 H new ATOM 0 HA LYS A 9 -9.114 -1.299 -4.432 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -8.353 -3.794 -5.289 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -8.097 -3.899 -3.559 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -10.352 -4.403 -3.581 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -10.494 -2.659 -3.497 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -10.973 -2.455 -5.824 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -10.312 -4.034 -6.196 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -12.696 -3.831 -4.337 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -12.944 -3.687 -6.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -13.159 -5.970 -5.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -11.825 -5.814 -6.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -11.585 -5.953 -4.699 1.00 0.00 H new ATOM 158 N ILE A 10 -6.486 -2.119 -2.629 1.00 0.00 N ATOM 159 CA ILE A 10 -5.785 -1.814 -1.393 1.00 0.00 C ATOM 160 C ILE A 10 -5.566 -0.303 -1.295 1.00 0.00 C ATOM 161 O ILE A 10 -5.795 0.294 -0.245 1.00 0.00 O ATOM 162 CB ILE A 10 -4.495 -2.630 -1.294 1.00 0.00 C ATOM 163 CG1 ILE A 10 -4.790 -4.131 -1.349 1.00 0.00 C ATOM 164 CG2 ILE A 10 -3.699 -2.248 -0.045 1.00 0.00 C ATOM 165 CD1 ILE A 10 -4.962 -4.707 0.058 1.00 0.00 C ATOM 0 H ILE A 10 -6.076 -2.875 -3.177 1.00 0.00 H new ATOM 0 HA ILE A 10 -6.386 -2.105 -0.532 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.873 -2.392 -2.157 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -5.695 -4.306 -1.931 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -3.977 -4.647 -1.860 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -2.787 -2.843 0.001 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -3.440 -1.190 -0.088 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -4.302 -2.439 0.843 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -5.171 -5.775 -0.009 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -4.047 -4.551 0.629 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -5.791 -4.206 0.557 1.00 0.00 H new ATOM 177 N ILE A 11 -5.126 0.272 -2.405 1.00 0.00 N ATOM 178 CA ILE A 11 -4.873 1.702 -2.457 1.00 0.00 C ATOM 179 C ILE A 11 -6.182 2.456 -2.211 1.00 0.00 C ATOM 180 O ILE A 11 -6.193 3.481 -1.531 1.00 0.00 O ATOM 181 CB ILE A 11 -4.186 2.077 -3.771 1.00 0.00 C ATOM 182 CG1 ILE A 11 -2.693 1.745 -3.723 1.00 0.00 C ATOM 183 CG2 ILE A 11 -4.436 3.545 -4.122 1.00 0.00 C ATOM 184 CD1 ILE A 11 -2.295 0.835 -4.887 1.00 0.00 C ATOM 0 H ILE A 11 -4.938 -0.226 -3.275 1.00 0.00 H new ATOM 0 HA ILE A 11 -4.181 1.996 -1.667 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.624 1.477 -4.569 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -2.111 2.666 -3.761 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -2.456 1.257 -2.778 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -3.936 3.785 -5.061 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -5.507 3.717 -4.227 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -4.043 4.181 -3.329 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -1.229 0.615 -4.829 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -2.861 -0.095 -4.832 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -2.511 1.336 -5.831 1.00 0.00 H new ATOM 196 N GLY A 12 -7.253 1.918 -2.777 1.00 0.00 N ATOM 197 CA GLY A 12 -8.563 2.528 -2.627 1.00 0.00 C ATOM 198 C GLY A 12 -8.999 2.538 -1.160 1.00 0.00 C ATOM 199 O GLY A 12 -9.945 3.233 -0.795 1.00 0.00 O ATOM 0 H GLY A 12 -7.240 1.067 -3.340 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -8.539 3.548 -3.010 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -9.293 1.981 -3.223 1.00 0.00 H new ATOM 203 N GLN A 13 -8.287 1.759 -0.359 1.00 0.00 N ATOM 204 CA GLN A 13 -8.588 1.670 1.059 1.00 0.00 C ATOM 205 C GLN A 13 -7.545 2.440 1.873 1.00 0.00 C ATOM 206 O GLN A 13 -7.882 3.102 2.853 1.00 0.00 O ATOM 207 CB GLN A 13 -8.669 0.211 1.512 1.00 0.00 C ATOM 208 CG GLN A 13 -9.989 -0.067 2.233 1.00 0.00 C ATOM 209 CD GLN A 13 -9.743 -0.702 3.603 1.00 0.00 C ATOM 210 OE1 GLN A 13 -8.723 -1.323 3.854 1.00 0.00 O ATOM 211 NE2 GLN A 13 -10.732 -0.513 4.472 1.00 0.00 N ATOM 0 H GLN A 13 -7.502 1.184 -0.665 1.00 0.00 H new ATOM 0 HA GLN A 13 -9.563 2.125 1.232 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -8.577 -0.447 0.648 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -7.834 -0.014 2.175 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -10.544 0.863 2.354 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -10.606 -0.730 1.627 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -11.559 0.017 4.196 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -10.664 -0.898 5.414 1.00 0.00 H new ATOM 220 N GLN A 14 -6.299 2.327 1.436 1.00 0.00 N ATOM 221 CA GLN A 14 -5.205 3.003 2.111 1.00 0.00 C ATOM 222 C GLN A 14 -5.425 4.517 2.092 1.00 0.00 C ATOM 223 O GLN A 14 -4.932 5.231 2.965 1.00 0.00 O ATOM 224 CB GLN A 14 -3.860 2.637 1.479 1.00 0.00 C ATOM 225 CG GLN A 14 -3.526 3.577 0.319 1.00 0.00 C ATOM 226 CD GLN A 14 -2.371 3.023 -0.519 1.00 0.00 C ATOM 227 OE1 GLN A 14 -2.124 1.829 -0.570 1.00 0.00 O ATOM 228 NE2 GLN A 14 -1.681 3.954 -1.171 1.00 0.00 N ATOM 0 H GLN A 14 -6.023 1.777 0.622 1.00 0.00 H new ATOM 0 HA GLN A 14 -5.184 2.671 3.149 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -3.074 2.689 2.232 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -3.890 1.608 1.121 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -4.406 3.711 -0.311 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -3.260 4.560 0.708 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -1.942 4.936 -1.084 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -0.891 3.686 -1.758 1.00 0.00 H new ATOM 237 N LEU A 15 -6.166 4.963 1.088 1.00 0.00 N ATOM 238 CA LEU A 15 -6.457 6.379 0.944 1.00 0.00 C ATOM 239 C LEU A 15 -7.954 6.612 1.161 1.00 0.00 C ATOM 240 O LEU A 15 -8.358 7.670 1.641 1.00 0.00 O ATOM 241 CB LEU A 15 -5.942 6.899 -0.400 1.00 0.00 C ATOM 242 CG LEU A 15 -4.425 7.047 -0.524 1.00 0.00 C ATOM 243 CD1 LEU A 15 -3.938 6.570 -1.894 1.00 0.00 C ATOM 244 CD2 LEU A 15 -3.988 8.483 -0.229 1.00 0.00 C ATOM 0 H LEU A 15 -6.574 4.368 0.366 1.00 0.00 H new ATOM 0 HA LEU A 15 -5.930 6.955 1.705 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -6.287 6.225 -1.184 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -6.399 7.870 -0.591 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.957 6.408 0.225 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.856 6.686 -1.956 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.199 5.520 -2.028 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.412 7.164 -2.676 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.905 8.561 -0.324 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -4.464 9.161 -0.937 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -4.283 8.752 0.785 1.00 0.00 H new ATOM 256 N GLY A 16 -8.736 5.607 0.796 1.00 0.00 N ATOM 257 CA GLY A 16 -10.179 5.689 0.945 1.00 0.00 C ATOM 258 C GLY A 16 -10.824 6.300 -0.301 1.00 0.00 C ATOM 259 O GLY A 16 -11.888 6.911 -0.216 1.00 0.00 O ATOM 0 H GLY A 16 -8.398 4.731 0.397 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -10.587 4.694 1.120 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -10.424 6.292 1.819 1.00 0.00 H new ATOM 263 N VAL A 17 -10.153 6.113 -1.428 1.00 0.00 N ATOM 264 CA VAL A 17 -10.648 6.639 -2.689 1.00 0.00 C ATOM 265 C VAL A 17 -11.196 5.488 -3.536 1.00 0.00 C ATOM 266 O VAL A 17 -11.212 4.340 -3.094 1.00 0.00 O ATOM 267 CB VAL A 17 -9.544 7.429 -3.396 1.00 0.00 C ATOM 268 CG1 VAL A 17 -9.982 8.872 -3.652 1.00 0.00 C ATOM 269 CG2 VAL A 17 -8.241 7.384 -2.597 1.00 0.00 C ATOM 0 H VAL A 17 -9.271 5.605 -1.494 1.00 0.00 H new ATOM 0 HA VAL A 17 -11.468 7.336 -2.517 1.00 0.00 H new ATOM 0 HB VAL A 17 -9.360 6.959 -4.362 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -9.180 9.412 -4.155 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -10.872 8.876 -4.281 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -10.206 9.358 -2.703 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -7.473 7.953 -3.121 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -8.404 7.818 -1.610 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -7.916 6.349 -2.489 1.00 0.00 H new ATOM 279 N LYS A 18 -11.632 5.836 -4.738 1.00 0.00 N ATOM 280 CA LYS A 18 -12.179 4.847 -5.650 1.00 0.00 C ATOM 281 C LYS A 18 -11.064 4.327 -6.560 1.00 0.00 C ATOM 282 O LYS A 18 -9.917 4.202 -6.133 1.00 0.00 O ATOM 283 CB LYS A 18 -13.375 5.423 -6.411 1.00 0.00 C ATOM 284 CG LYS A 18 -14.459 4.362 -6.614 1.00 0.00 C ATOM 285 CD LYS A 18 -15.236 4.613 -7.907 1.00 0.00 C ATOM 286 CE LYS A 18 -16.652 4.041 -7.815 1.00 0.00 C ATOM 287 NZ LYS A 18 -17.282 3.999 -9.154 1.00 0.00 N ATOM 0 H LYS A 18 -11.617 6.789 -5.101 1.00 0.00 H new ATOM 0 HA LYS A 18 -12.565 3.991 -5.097 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -13.787 6.269 -5.861 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -13.046 5.802 -7.379 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -14.003 3.372 -6.646 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -15.144 4.370 -5.766 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -15.285 5.684 -8.104 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -14.710 4.158 -8.746 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -16.618 3.038 -7.391 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -17.254 4.652 -7.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -18.242 3.608 -9.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -17.331 4.962 -9.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -16.715 3.398 -9.786 1.00 0.00 H new ATOM 300 N GLN A 19 -11.440 4.037 -7.797 1.00 0.00 N ATOM 301 CA GLN A 19 -10.486 3.533 -8.771 1.00 0.00 C ATOM 302 C GLN A 19 -10.208 4.593 -9.838 1.00 0.00 C ATOM 303 O GLN A 19 -9.061 4.791 -10.237 1.00 0.00 O ATOM 304 CB GLN A 19 -10.985 2.233 -9.405 1.00 0.00 C ATOM 305 CG GLN A 19 -10.936 1.079 -8.402 1.00 0.00 C ATOM 306 CD GLN A 19 -11.048 -0.271 -9.113 1.00 0.00 C ATOM 307 OE1 GLN A 19 -11.909 -1.085 -8.824 1.00 0.00 O ATOM 308 NE2 GLN A 19 -10.130 -0.462 -10.057 1.00 0.00 N ATOM 0 H GLN A 19 -12.392 4.141 -8.147 1.00 0.00 H new ATOM 0 HA GLN A 19 -9.552 3.311 -8.255 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -12.006 2.367 -9.761 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -10.374 1.990 -10.274 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -10.004 1.121 -7.839 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -11.748 1.183 -7.682 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -9.437 0.262 -10.248 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -10.119 -1.332 -10.589 1.00 0.00 H new ATOM 317 N GLU A 20 -11.276 5.246 -10.271 1.00 0.00 N ATOM 318 CA GLU A 20 -11.161 6.281 -11.285 1.00 0.00 C ATOM 319 C GLU A 20 -10.535 7.542 -10.687 1.00 0.00 C ATOM 320 O GLU A 20 -10.145 8.452 -11.417 1.00 0.00 O ATOM 321 CB GLU A 20 -12.523 6.589 -11.911 1.00 0.00 C ATOM 322 CG GLU A 20 -12.619 6.012 -13.325 1.00 0.00 C ATOM 323 CD GLU A 20 -13.814 6.601 -14.077 1.00 0.00 C ATOM 324 OE1 GLU A 20 -14.072 7.810 -13.982 1.00 0.00 O ATOM 325 OE2 GLU A 20 -14.486 5.754 -14.781 1.00 0.00 O ATOM 0 H GLU A 20 -12.226 5.079 -9.938 1.00 0.00 H new ATOM 0 HA GLU A 20 -10.508 5.915 -12.077 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -13.316 6.172 -11.290 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -12.677 7.668 -11.943 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -11.700 6.224 -13.872 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -12.716 4.928 -13.273 1.00 0.00 H new ATOM 333 N GLU A 21 -10.458 7.557 -9.364 1.00 0.00 N ATOM 334 CA GLU A 21 -9.886 8.691 -8.660 1.00 0.00 C ATOM 335 C GLU A 21 -8.427 8.408 -8.294 1.00 0.00 C ATOM 336 O GLU A 21 -7.686 9.321 -7.932 1.00 0.00 O ATOM 337 CB GLU A 21 -10.706 9.035 -7.415 1.00 0.00 C ATOM 338 CG GLU A 21 -11.600 10.251 -7.667 1.00 0.00 C ATOM 339 CD GLU A 21 -11.429 11.295 -6.561 1.00 0.00 C ATOM 340 OE1 GLU A 21 -10.312 11.490 -6.059 1.00 0.00 O ATOM 341 OE2 GLU A 21 -12.509 11.915 -6.225 1.00 0.00 O ATOM 0 H GLU A 21 -10.783 6.801 -8.761 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.913 9.556 -9.323 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -11.320 8.180 -7.132 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.037 9.238 -6.579 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -11.354 10.694 -8.632 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -12.642 9.936 -7.717 1.00 0.00 H new ATOM 349 N VAL A 22 -8.059 7.140 -8.402 1.00 0.00 N ATOM 350 CA VAL A 22 -6.702 6.726 -8.087 1.00 0.00 C ATOM 351 C VAL A 22 -6.196 5.780 -9.178 1.00 0.00 C ATOM 352 O VAL A 22 -5.537 4.784 -8.884 1.00 0.00 O ATOM 353 CB VAL A 22 -6.656 6.106 -6.689 1.00 0.00 C ATOM 354 CG1 VAL A 22 -5.215 5.804 -6.270 1.00 0.00 C ATOM 355 CG2 VAL A 22 -7.347 7.009 -5.665 1.00 0.00 C ATOM 0 H VAL A 22 -8.676 6.386 -8.703 1.00 0.00 H new ATOM 0 HA VAL A 22 -6.034 7.587 -8.068 1.00 0.00 H new ATOM 0 HB VAL A 22 -7.200 5.162 -6.724 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.211 5.364 -5.273 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -4.769 5.104 -6.977 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -4.637 6.728 -6.261 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -7.300 6.545 -4.680 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -6.845 7.976 -5.635 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -8.390 7.151 -5.950 1.00 0.00 H new ATOM 365 N THR A 23 -6.524 6.125 -10.414 1.00 0.00 N ATOM 366 CA THR A 23 -6.111 5.319 -11.550 1.00 0.00 C ATOM 367 C THR A 23 -4.674 4.829 -11.362 1.00 0.00 C ATOM 368 O THR A 23 -3.927 5.379 -10.554 1.00 0.00 O ATOM 369 CB THR A 23 -6.308 6.152 -12.818 1.00 0.00 C ATOM 370 OG1 THR A 23 -5.937 7.472 -12.427 1.00 0.00 O ATOM 371 CG2 THR A 23 -7.781 6.280 -13.212 1.00 0.00 C ATOM 0 H THR A 23 -7.071 6.952 -10.654 1.00 0.00 H new ATOM 0 HA THR A 23 -6.719 4.419 -11.638 1.00 0.00 H new ATOM 0 HB THR A 23 -5.751 5.701 -13.639 1.00 0.00 H new ATOM 0 HG1 THR A 23 -6.033 8.079 -13.191 1.00 0.00 H new ATOM 0 HG21 THR A 23 -7.864 6.880 -14.118 1.00 0.00 H new ATOM 0 HG22 THR A 23 -8.196 5.289 -13.394 1.00 0.00 H new ATOM 0 HG23 THR A 23 -8.333 6.762 -12.405 1.00 0.00 H new ATOM 379 N ASN A 24 -4.329 3.800 -12.123 1.00 0.00 N ATOM 380 CA ASN A 24 -2.994 3.230 -12.050 1.00 0.00 C ATOM 381 C ASN A 24 -1.979 4.251 -12.569 1.00 0.00 C ATOM 382 O ASN A 24 -1.482 4.125 -13.687 1.00 0.00 O ATOM 383 CB ASN A 24 -2.884 1.974 -12.916 1.00 0.00 C ATOM 384 CG ASN A 24 -3.420 2.230 -14.326 1.00 0.00 C ATOM 385 OD1 ASN A 24 -4.611 2.378 -14.548 1.00 0.00 O ATOM 386 ND2 ASN A 24 -2.478 2.274 -15.263 1.00 0.00 N ATOM 0 H ASN A 24 -4.951 3.347 -12.793 1.00 0.00 H new ATOM 0 HA ASN A 24 -2.794 2.971 -11.010 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -1.843 1.656 -12.971 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -3.442 1.159 -12.454 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -2.734 2.440 -16.236 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -1.499 2.142 -15.009 1.00 0.00 H new ATOM 393 N ASN A 25 -1.702 5.240 -11.731 1.00 0.00 N ATOM 394 CA ASN A 25 -0.756 6.282 -12.091 1.00 0.00 C ATOM 395 C ASN A 25 -0.915 7.463 -11.131 1.00 0.00 C ATOM 396 O ASN A 25 0.044 8.188 -10.869 1.00 0.00 O ATOM 397 CB ASN A 25 -1.010 6.791 -13.511 1.00 0.00 C ATOM 398 CG ASN A 25 -2.503 7.017 -13.754 1.00 0.00 C ATOM 399 OD1 ASN A 25 -3.259 6.100 -14.031 1.00 0.00 O ATOM 400 ND2 ASN A 25 -2.885 8.285 -13.635 1.00 0.00 N ATOM 0 H ASN A 25 -2.116 5.341 -10.804 1.00 0.00 H new ATOM 0 HA ASN A 25 0.247 5.860 -12.033 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -0.467 7.723 -13.670 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -0.625 6.071 -14.233 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -3.863 8.539 -13.778 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -2.200 9.004 -13.401 1.00 0.00 H new ATOM 407 N ALA A 26 -2.132 7.619 -10.632 1.00 0.00 N ATOM 408 CA ALA A 26 -2.429 8.699 -9.707 1.00 0.00 C ATOM 409 C ALA A 26 -1.256 8.873 -8.739 1.00 0.00 C ATOM 410 O ALA A 26 -0.825 7.913 -8.103 1.00 0.00 O ATOM 411 CB ALA A 26 -3.744 8.405 -8.982 1.00 0.00 C ATOM 0 H ALA A 26 -2.924 7.015 -10.851 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.556 9.639 -10.244 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -3.966 9.216 -8.288 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -4.550 8.320 -9.711 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -3.654 7.469 -8.430 1.00 0.00 H new ATOM 417 N SER A 27 -0.774 10.104 -8.659 1.00 0.00 N ATOM 418 CA SER A 27 0.340 10.416 -7.780 1.00 0.00 C ATOM 419 C SER A 27 -0.077 10.228 -6.320 1.00 0.00 C ATOM 420 O SER A 27 -1.163 9.724 -6.041 1.00 0.00 O ATOM 421 CB SER A 27 0.841 11.843 -8.010 1.00 0.00 C ATOM 422 OG SER A 27 1.850 11.899 -9.014 1.00 0.00 O ATOM 0 H SER A 27 -1.135 10.898 -9.189 1.00 0.00 H new ATOM 0 HA SER A 27 1.158 9.732 -8.008 1.00 0.00 H new ATOM 0 HB2 SER A 27 0.005 12.478 -8.301 1.00 0.00 H new ATOM 0 HB3 SER A 27 1.236 12.243 -7.076 1.00 0.00 H new ATOM 0 HG SER A 27 2.142 12.827 -9.133 1.00 0.00 H new ATOM 428 N PHE A 28 0.809 10.644 -5.426 1.00 0.00 N ATOM 429 CA PHE A 28 0.546 10.528 -4.002 1.00 0.00 C ATOM 430 C PHE A 28 0.853 11.842 -3.280 1.00 0.00 C ATOM 431 O PHE A 28 0.124 12.239 -2.371 1.00 0.00 O ATOM 432 CB PHE A 28 1.472 9.436 -3.464 1.00 0.00 C ATOM 433 CG PHE A 28 0.855 8.036 -3.473 1.00 0.00 C ATOM 434 CD1 PHE A 28 0.417 7.494 -4.641 1.00 0.00 C ATOM 435 CD2 PHE A 28 0.743 7.334 -2.314 1.00 0.00 C ATOM 436 CE1 PHE A 28 -0.156 6.195 -4.650 1.00 0.00 C ATOM 437 CE2 PHE A 28 0.170 6.035 -2.323 1.00 0.00 C ATOM 438 CZ PHE A 28 -0.267 5.493 -3.491 1.00 0.00 C ATOM 0 H PHE A 28 1.709 11.062 -5.661 1.00 0.00 H new ATOM 0 HA PHE A 28 -0.504 10.289 -3.835 1.00 0.00 H new ATOM 0 HB2 PHE A 28 2.385 9.423 -4.059 1.00 0.00 H new ATOM 0 HB3 PHE A 28 1.760 9.688 -2.443 1.00 0.00 H new ATOM 0 HD1 PHE A 28 0.505 8.052 -5.562 1.00 0.00 H new ATOM 0 HD2 PHE A 28 1.090 7.765 -1.386 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -0.504 5.765 -5.577 1.00 0.00 H new ATOM 0 HE2 PHE A 28 0.081 5.477 -1.402 1.00 0.00 H new ATOM 0 HZ PHE A 28 -0.702 4.505 -3.498 1.00 0.00 H new ATOM 448 N VAL A 29 1.931 12.479 -3.710 1.00 0.00 N ATOM 449 CA VAL A 29 2.343 13.740 -3.115 1.00 0.00 C ATOM 450 C VAL A 29 1.137 14.678 -3.033 1.00 0.00 C ATOM 451 O VAL A 29 0.597 14.907 -1.952 1.00 0.00 O ATOM 452 CB VAL A 29 3.510 14.334 -3.906 1.00 0.00 C ATOM 453 CG1 VAL A 29 3.936 15.683 -3.323 1.00 0.00 C ATOM 454 CG2 VAL A 29 4.690 13.362 -3.956 1.00 0.00 C ATOM 0 H VAL A 29 2.533 12.146 -4.464 1.00 0.00 H new ATOM 0 HA VAL A 29 2.703 13.584 -2.098 1.00 0.00 H new ATOM 0 HB VAL A 29 3.171 14.502 -4.928 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.767 16.084 -3.903 1.00 0.00 H new ATOM 0 HG12 VAL A 29 3.097 16.378 -3.363 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.248 15.550 -2.287 1.00 0.00 H new ATOM 0 HG21 VAL A 29 5.506 13.809 -4.524 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.028 13.148 -2.942 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.378 12.435 -4.437 1.00 0.00 H new ATOM 464 N GLU A 30 0.750 15.195 -4.190 1.00 0.00 N ATOM 465 CA GLU A 30 -0.382 16.102 -4.263 1.00 0.00 C ATOM 466 C GLU A 30 -1.663 15.329 -4.582 1.00 0.00 C ATOM 467 O GLU A 30 -2.711 15.587 -3.991 1.00 0.00 O ATOM 468 CB GLU A 30 -0.136 17.205 -5.295 1.00 0.00 C ATOM 469 CG GLU A 30 0.561 18.408 -4.656 1.00 0.00 C ATOM 470 CD GLU A 30 -0.259 19.685 -4.853 1.00 0.00 C ATOM 471 OE1 GLU A 30 -1.338 19.826 -4.259 1.00 0.00 O ATOM 472 OE2 GLU A 30 0.263 20.549 -5.656 1.00 0.00 O ATOM 0 H GLU A 30 1.201 15.003 -5.085 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.502 16.580 -3.291 1.00 0.00 H new ATOM 0 HB2 GLU A 30 0.475 16.816 -6.109 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -1.085 17.519 -5.730 1.00 0.00 H new ATOM 0 HG2 GLU A 30 0.706 18.225 -3.591 1.00 0.00 H new ATOM 0 HG3 GLU A 30 1.550 18.535 -5.095 1.00 0.00 H new ATOM 480 N ASP A 31 -1.537 14.397 -5.515 1.00 0.00 N ATOM 481 CA ASP A 31 -2.672 13.584 -5.919 1.00 0.00 C ATOM 482 C ASP A 31 -3.512 13.240 -4.688 1.00 0.00 C ATOM 483 O ASP A 31 -4.734 13.133 -4.775 1.00 0.00 O ATOM 484 CB ASP A 31 -2.210 12.273 -6.558 1.00 0.00 C ATOM 485 CG ASP A 31 -2.835 11.963 -7.920 1.00 0.00 C ATOM 486 OD1 ASP A 31 -3.771 11.157 -8.025 1.00 0.00 O ATOM 487 OD2 ASP A 31 -2.314 12.596 -8.916 1.00 0.00 O ATOM 0 H ASP A 31 -0.666 14.187 -6.003 1.00 0.00 H new ATOM 0 HA ASP A 31 -3.254 14.153 -6.644 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -1.126 12.303 -6.671 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -2.437 11.454 -5.876 1.00 0.00 H new ATOM 493 N LEU A 32 -2.823 13.076 -3.568 1.00 0.00 N ATOM 494 CA LEU A 32 -3.490 12.746 -2.320 1.00 0.00 C ATOM 495 C LEU A 32 -2.769 13.439 -1.162 1.00 0.00 C ATOM 496 O LEU A 32 -2.725 12.914 -0.050 1.00 0.00 O ATOM 497 CB LEU A 32 -3.600 11.229 -2.156 1.00 0.00 C ATOM 498 CG LEU A 32 -4.837 10.575 -2.776 1.00 0.00 C ATOM 499 CD1 LEU A 32 -4.470 9.268 -3.483 1.00 0.00 C ATOM 500 CD2 LEU A 32 -5.933 10.372 -1.728 1.00 0.00 C ATOM 0 H LEU A 32 -1.809 13.166 -3.499 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.515 13.118 -2.326 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.713 10.771 -2.594 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.586 10.997 -1.091 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.237 11.249 -3.533 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.367 8.824 -3.915 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.749 9.473 -4.275 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.032 8.576 -2.764 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.801 9.906 -2.195 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.560 9.728 -0.931 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -6.220 11.337 -1.310 1.00 0.00 H new ATOM 512 N GLY A 33 -2.220 14.607 -1.463 1.00 0.00 N ATOM 513 CA GLY A 33 -1.503 15.377 -0.461 1.00 0.00 C ATOM 514 C GLY A 33 -0.607 14.472 0.388 1.00 0.00 C ATOM 515 O GLY A 33 -0.283 14.805 1.527 1.00 0.00 O ATOM 0 H GLY A 33 -2.257 15.039 -2.386 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -0.897 16.141 -0.949 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -2.214 15.897 0.181 1.00 0.00 H new ATOM 519 N ALA A 34 -0.232 13.345 -0.200 1.00 0.00 N ATOM 520 CA ALA A 34 0.621 12.391 0.488 1.00 0.00 C ATOM 521 C ALA A 34 0.248 12.357 1.972 1.00 0.00 C ATOM 522 O ALA A 34 0.809 13.104 2.773 1.00 0.00 O ATOM 523 CB ALA A 34 2.088 12.761 0.264 1.00 0.00 C ATOM 0 H ALA A 34 -0.503 13.072 -1.145 1.00 0.00 H new ATOM 0 HA ALA A 34 0.474 11.388 0.088 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.727 12.045 0.781 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.309 12.741 -0.803 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.275 13.761 0.655 1.00 0.00 H new ATOM 529 N ASP A 35 -0.696 11.485 2.293 1.00 0.00 N ATOM 530 CA ASP A 35 -1.149 11.344 3.666 1.00 0.00 C ATOM 531 C ASP A 35 -0.324 10.261 4.363 1.00 0.00 C ATOM 532 O ASP A 35 -0.099 9.190 3.802 1.00 0.00 O ATOM 533 CB ASP A 35 -2.620 10.927 3.720 1.00 0.00 C ATOM 534 CG ASP A 35 -3.559 11.750 2.836 1.00 0.00 C ATOM 535 OD1 ASP A 35 -4.195 11.220 1.913 1.00 0.00 O ATOM 536 OD2 ASP A 35 -3.625 13.004 3.131 1.00 0.00 O ATOM 0 H ASP A 35 -1.160 10.869 1.626 1.00 0.00 H new ATOM 0 HA ASP A 35 -1.029 12.308 4.161 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -2.696 9.880 3.428 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -2.964 10.996 4.752 1.00 0.00 H new ATOM 542 N SER A 36 0.104 10.577 5.577 1.00 0.00 N ATOM 543 CA SER A 36 0.899 9.644 6.357 1.00 0.00 C ATOM 544 C SER A 36 0.287 8.243 6.280 1.00 0.00 C ATOM 545 O SER A 36 0.957 7.291 5.884 1.00 0.00 O ATOM 546 CB SER A 36 1.007 10.096 7.814 1.00 0.00 C ATOM 547 OG SER A 36 2.120 10.961 8.023 1.00 0.00 O ATOM 0 H SER A 36 -0.085 11.466 6.039 1.00 0.00 H new ATOM 0 HA SER A 36 1.905 9.618 5.937 1.00 0.00 H new ATOM 0 HB2 SER A 36 0.090 10.609 8.104 1.00 0.00 H new ATOM 0 HB3 SER A 36 1.101 9.222 8.459 1.00 0.00 H new ATOM 0 HG SER A 36 2.154 11.229 8.965 1.00 0.00 H new ATOM 553 N LEU A 37 -0.978 8.163 6.665 1.00 0.00 N ATOM 554 CA LEU A 37 -1.687 6.895 6.644 1.00 0.00 C ATOM 555 C LEU A 37 -1.383 6.166 5.334 1.00 0.00 C ATOM 556 O LEU A 37 -1.408 4.938 5.283 1.00 0.00 O ATOM 557 CB LEU A 37 -3.181 7.113 6.894 1.00 0.00 C ATOM 558 CG LEU A 37 -3.542 7.901 8.155 1.00 0.00 C ATOM 559 CD1 LEU A 37 -5.060 8.024 8.309 1.00 0.00 C ATOM 560 CD2 LEU A 37 -2.888 7.286 9.393 1.00 0.00 C ATOM 0 H LEU A 37 -1.530 8.955 6.993 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.342 6.252 7.454 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.601 7.632 6.033 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.666 6.138 6.947 1.00 0.00 H new ATOM 0 HG LEU A 37 -3.146 8.911 8.051 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.289 8.588 9.213 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -5.473 8.542 7.443 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.500 7.029 8.381 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.161 7.866 10.275 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.231 6.259 9.513 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -1.805 7.295 9.274 1.00 0.00 H new ATOM 572 N ASP A 38 -1.103 6.955 4.307 1.00 0.00 N ATOM 573 CA ASP A 38 -0.794 6.400 3.000 1.00 0.00 C ATOM 574 C ASP A 38 0.565 5.698 3.057 1.00 0.00 C ATOM 575 O ASP A 38 0.648 4.484 2.878 1.00 0.00 O ATOM 576 CB ASP A 38 -0.713 7.500 1.939 1.00 0.00 C ATOM 577 CG ASP A 38 -1.102 7.064 0.525 1.00 0.00 C ATOM 578 OD1 ASP A 38 -1.608 5.952 0.316 1.00 0.00 O ATOM 579 OD2 ASP A 38 -0.862 7.933 -0.398 1.00 0.00 O ATOM 0 H ASP A 38 -1.084 7.974 4.353 1.00 0.00 H new ATOM 0 HA ASP A 38 -1.587 5.701 2.735 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -1.361 8.323 2.240 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.305 7.888 1.916 1.00 0.00 H new ATOM 585 N THR A 39 1.595 6.492 3.306 1.00 0.00 N ATOM 586 CA THR A 39 2.946 5.963 3.388 1.00 0.00 C ATOM 587 C THR A 39 3.022 4.858 4.444 1.00 0.00 C ATOM 588 O THR A 39 3.926 4.025 4.413 1.00 0.00 O ATOM 589 CB THR A 39 3.896 7.130 3.661 1.00 0.00 C ATOM 590 OG1 THR A 39 3.930 7.846 2.429 1.00 0.00 O ATOM 591 CG2 THR A 39 5.342 6.673 3.866 1.00 0.00 C ATOM 0 H THR A 39 1.522 7.499 3.454 1.00 0.00 H new ATOM 0 HA THR A 39 3.245 5.495 2.450 1.00 0.00 H new ATOM 0 HB THR A 39 3.558 7.673 4.544 1.00 0.00 H new ATOM 0 HG1 THR A 39 4.523 8.621 2.518 1.00 0.00 H new ATOM 0 HG21 THR A 39 5.974 7.540 4.056 1.00 0.00 H new ATOM 0 HG22 THR A 39 5.392 5.994 4.717 1.00 0.00 H new ATOM 0 HG23 THR A 39 5.691 6.159 2.971 1.00 0.00 H new ATOM 599 N VAL A 40 2.060 4.887 5.355 1.00 0.00 N ATOM 600 CA VAL A 40 2.006 3.899 6.418 1.00 0.00 C ATOM 601 C VAL A 40 1.233 2.672 5.930 1.00 0.00 C ATOM 602 O VAL A 40 1.713 1.545 6.045 1.00 0.00 O ATOM 603 CB VAL A 40 1.405 4.520 7.681 1.00 0.00 C ATOM 604 CG1 VAL A 40 1.257 3.476 8.789 1.00 0.00 C ATOM 605 CG2 VAL A 40 2.240 5.710 8.157 1.00 0.00 C ATOM 0 H VAL A 40 1.312 5.580 5.378 1.00 0.00 H new ATOM 0 HA VAL A 40 3.010 3.567 6.681 1.00 0.00 H new ATOM 0 HB VAL A 40 0.409 4.887 7.432 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.828 3.944 9.675 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.602 2.674 8.448 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.236 3.065 9.034 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.791 6.133 9.056 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.254 5.377 8.380 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.271 6.469 7.375 1.00 0.00 H new ATOM 615 N GLU A 41 0.049 2.932 5.396 1.00 0.00 N ATOM 616 CA GLU A 41 -0.795 1.863 4.890 1.00 0.00 C ATOM 617 C GLU A 41 -0.102 1.143 3.731 1.00 0.00 C ATOM 618 O GLU A 41 -0.439 0.003 3.414 1.00 0.00 O ATOM 619 CB GLU A 41 -2.162 2.399 4.462 1.00 0.00 C ATOM 620 CG GLU A 41 -3.026 2.733 5.680 1.00 0.00 C ATOM 621 CD GLU A 41 -4.350 1.967 5.640 1.00 0.00 C ATOM 622 OE1 GLU A 41 -4.387 0.816 5.178 1.00 0.00 O ATOM 623 OE2 GLU A 41 -5.365 2.608 6.110 1.00 0.00 O ATOM 0 H GLU A 41 -0.346 3.868 5.303 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.958 1.145 5.694 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.031 3.291 3.849 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.670 1.659 3.844 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -2.485 2.484 6.593 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.223 3.805 5.708 1.00 0.00 H new ATOM 631 N LEU A 42 0.854 1.837 3.132 1.00 0.00 N ATOM 632 CA LEU A 42 1.597 1.278 2.015 1.00 0.00 C ATOM 633 C LEU A 42 2.559 0.207 2.534 1.00 0.00 C ATOM 634 O LEU A 42 2.794 -0.797 1.865 1.00 0.00 O ATOM 635 CB LEU A 42 2.285 2.389 1.220 1.00 0.00 C ATOM 636 CG LEU A 42 2.355 2.185 -0.295 1.00 0.00 C ATOM 637 CD1 LEU A 42 1.196 2.895 -0.998 1.00 0.00 C ATOM 638 CD2 LEU A 42 3.714 2.623 -0.845 1.00 0.00 C ATOM 0 H LEU A 42 1.132 2.782 3.399 1.00 0.00 H new ATOM 0 HA LEU A 42 0.921 0.788 1.314 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.764 3.326 1.417 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.301 2.504 1.599 1.00 0.00 H new ATOM 0 HG LEU A 42 2.252 1.120 -0.501 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.269 2.734 -2.074 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.250 2.494 -0.635 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.242 3.963 -0.787 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.737 2.468 -1.924 1.00 0.00 H new ATOM 0 HD22 LEU A 42 3.871 3.679 -0.627 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.503 2.035 -0.377 1.00 0.00 H new ATOM 650 N VAL A 43 3.089 0.459 3.722 1.00 0.00 N ATOM 651 CA VAL A 43 4.020 -0.471 4.338 1.00 0.00 C ATOM 652 C VAL A 43 3.254 -1.699 4.835 1.00 0.00 C ATOM 653 O VAL A 43 3.825 -2.781 4.965 1.00 0.00 O ATOM 654 CB VAL A 43 4.806 0.232 5.446 1.00 0.00 C ATOM 655 CG1 VAL A 43 5.878 -0.692 6.029 1.00 0.00 C ATOM 656 CG2 VAL A 43 5.424 1.536 4.938 1.00 0.00 C ATOM 0 H VAL A 43 2.891 1.294 4.274 1.00 0.00 H new ATOM 0 HA VAL A 43 4.752 -0.818 3.609 1.00 0.00 H new ATOM 0 HB VAL A 43 4.108 0.481 6.245 1.00 0.00 H new ATOM 0 HG11 VAL A 43 6.422 -0.168 6.815 1.00 0.00 H new ATOM 0 HG12 VAL A 43 5.405 -1.581 6.446 1.00 0.00 H new ATOM 0 HG13 VAL A 43 6.572 -0.987 5.242 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.977 2.015 5.746 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.102 1.320 4.112 1.00 0.00 H new ATOM 0 HG23 VAL A 43 4.634 2.203 4.593 1.00 0.00 H new ATOM 666 N MET A 44 1.973 -1.490 5.098 1.00 0.00 N ATOM 667 CA MET A 44 1.122 -2.567 5.578 1.00 0.00 C ATOM 668 C MET A 44 0.419 -3.270 4.415 1.00 0.00 C ATOM 669 O MET A 44 0.393 -4.498 4.352 1.00 0.00 O ATOM 670 CB MET A 44 0.076 -2.001 6.540 1.00 0.00 C ATOM 671 CG MET A 44 0.735 -1.461 7.811 1.00 0.00 C ATOM 672 SD MET A 44 0.007 -2.229 9.249 1.00 0.00 S ATOM 673 CE MET A 44 1.176 -3.552 9.519 1.00 0.00 C ATOM 0 H MET A 44 1.503 -0.591 4.988 1.00 0.00 H new ATOM 0 HA MET A 44 1.747 -3.296 6.094 1.00 0.00 H new ATOM 0 HB2 MET A 44 -0.482 -1.204 6.048 1.00 0.00 H new ATOM 0 HB3 MET A 44 -0.642 -2.779 6.801 1.00 0.00 H new ATOM 0 HG2 MET A 44 1.807 -1.658 7.787 1.00 0.00 H new ATOM 0 HG3 MET A 44 0.611 -0.379 7.864 1.00 0.00 H new ATOM 0 HE1 MET A 44 0.870 -4.136 10.387 1.00 0.00 H new ATOM 0 HE2 MET A 44 1.206 -4.196 8.640 1.00 0.00 H new ATOM 0 HE3 MET A 44 2.166 -3.132 9.695 1.00 0.00 H new ATOM 683 N ALA A 45 -0.133 -2.461 3.523 1.00 0.00 N ATOM 684 CA ALA A 45 -0.834 -2.990 2.365 1.00 0.00 C ATOM 685 C ALA A 45 0.037 -4.049 1.687 1.00 0.00 C ATOM 686 O ALA A 45 -0.425 -5.155 1.413 1.00 0.00 O ATOM 687 CB ALA A 45 -1.200 -1.843 1.421 1.00 0.00 C ATOM 0 H ALA A 45 -0.109 -1.443 3.579 1.00 0.00 H new ATOM 0 HA ALA A 45 -1.764 -3.472 2.667 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -1.726 -2.240 0.553 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -1.844 -1.134 1.942 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -0.292 -1.336 1.095 1.00 0.00 H new ATOM 693 N LEU A 46 1.282 -3.671 1.434 1.00 0.00 N ATOM 694 CA LEU A 46 2.222 -4.575 0.793 1.00 0.00 C ATOM 695 C LEU A 46 2.525 -5.742 1.734 1.00 0.00 C ATOM 696 O LEU A 46 2.739 -6.867 1.286 1.00 0.00 O ATOM 697 CB LEU A 46 3.468 -3.814 0.335 1.00 0.00 C ATOM 698 CG LEU A 46 3.275 -2.855 -0.841 1.00 0.00 C ATOM 699 CD1 LEU A 46 3.785 -1.455 -0.496 1.00 0.00 C ATOM 700 CD2 LEU A 46 3.926 -3.406 -2.111 1.00 0.00 C ATOM 0 H LEU A 46 1.661 -2.752 1.661 1.00 0.00 H new ATOM 0 HA LEU A 46 1.786 -5.000 -0.111 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.854 -3.246 1.181 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.234 -4.541 0.063 1.00 0.00 H new ATOM 0 HG LEU A 46 2.207 -2.768 -1.039 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.636 -0.793 -1.349 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.236 -1.069 0.363 1.00 0.00 H new ATOM 0 HD13 LEU A 46 4.847 -1.504 -0.256 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.774 -2.705 -2.931 1.00 0.00 H new ATOM 0 HD22 LEU A 46 4.994 -3.542 -1.943 1.00 0.00 H new ATOM 0 HD23 LEU A 46 3.474 -4.365 -2.365 1.00 0.00 H new ATOM 712 N GLU A 47 2.534 -5.434 3.023 1.00 0.00 N ATOM 713 CA GLU A 47 2.807 -6.443 4.032 1.00 0.00 C ATOM 714 C GLU A 47 1.685 -7.483 4.060 1.00 0.00 C ATOM 715 O GLU A 47 1.947 -8.685 4.049 1.00 0.00 O ATOM 716 CB GLU A 47 2.997 -5.805 5.409 1.00 0.00 C ATOM 717 CG GLU A 47 4.357 -6.176 6.003 1.00 0.00 C ATOM 718 CD GLU A 47 4.196 -6.824 7.380 1.00 0.00 C ATOM 719 OE1 GLU A 47 3.241 -7.583 7.600 1.00 0.00 O ATOM 720 OE2 GLU A 47 5.108 -6.515 8.238 1.00 0.00 O ATOM 0 H GLU A 47 2.357 -4.500 3.392 1.00 0.00 H new ATOM 0 HA GLU A 47 3.737 -6.947 3.770 1.00 0.00 H new ATOM 0 HB2 GLU A 47 2.916 -4.721 5.326 1.00 0.00 H new ATOM 0 HB3 GLU A 47 2.202 -6.133 6.079 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.876 -6.862 5.333 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.977 -5.283 6.088 1.00 0.00 H new ATOM 728 N GLU A 48 0.458 -6.983 4.095 1.00 0.00 N ATOM 729 CA GLU A 48 -0.704 -7.854 4.125 1.00 0.00 C ATOM 730 C GLU A 48 -0.866 -8.570 2.782 1.00 0.00 C ATOM 731 O GLU A 48 -1.633 -9.525 2.673 1.00 0.00 O ATOM 732 CB GLU A 48 -1.968 -7.069 4.483 1.00 0.00 C ATOM 733 CG GLU A 48 -2.887 -7.892 5.388 1.00 0.00 C ATOM 734 CD GLU A 48 -4.304 -7.961 4.815 1.00 0.00 C ATOM 735 OE1 GLU A 48 -4.475 -8.227 3.616 1.00 0.00 O ATOM 736 OE2 GLU A 48 -5.247 -7.726 5.663 1.00 0.00 O ATOM 0 H GLU A 48 0.244 -5.986 4.103 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.550 -8.606 4.899 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.694 -6.141 4.985 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.500 -6.794 3.572 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.486 -8.900 5.499 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.915 -7.449 6.383 1.00 0.00 H new ATOM 744 N GLU A 49 -0.130 -8.080 1.795 1.00 0.00 N ATOM 745 CA GLU A 49 -0.182 -8.662 0.464 1.00 0.00 C ATOM 746 C GLU A 49 0.814 -9.818 0.351 1.00 0.00 C ATOM 747 O GLU A 49 0.418 -10.964 0.143 1.00 0.00 O ATOM 748 CB GLU A 49 0.084 -7.603 -0.607 1.00 0.00 C ATOM 749 CG GLU A 49 -0.868 -7.771 -1.793 1.00 0.00 C ATOM 750 CD GLU A 49 -2.327 -7.681 -1.341 1.00 0.00 C ATOM 751 OE1 GLU A 49 -3.012 -8.711 -1.247 1.00 0.00 O ATOM 752 OE2 GLU A 49 -2.745 -6.488 -1.082 1.00 0.00 O ATOM 0 H GLU A 49 0.505 -7.287 1.890 1.00 0.00 H new ATOM 0 HA GLU A 49 -1.185 -9.055 0.299 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -0.036 -6.608 -0.178 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.116 -7.679 -0.951 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -0.666 -7.001 -2.538 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -0.691 -8.734 -2.273 1.00 0.00 H new ATOM 760 N PHE A 50 2.086 -9.478 0.494 1.00 0.00 N ATOM 761 CA PHE A 50 3.141 -10.474 0.410 1.00 0.00 C ATOM 762 C PHE A 50 4.173 -10.273 1.521 1.00 0.00 C ATOM 763 O PHE A 50 5.348 -10.596 1.349 1.00 0.00 O ATOM 764 CB PHE A 50 3.826 -10.287 -0.945 1.00 0.00 C ATOM 765 CG PHE A 50 3.418 -11.322 -1.996 1.00 0.00 C ATOM 766 CD1 PHE A 50 4.056 -12.522 -2.052 1.00 0.00 C ATOM 767 CD2 PHE A 50 2.418 -11.042 -2.874 1.00 0.00 C ATOM 768 CE1 PHE A 50 3.677 -13.483 -3.026 1.00 0.00 C ATOM 769 CE2 PHE A 50 2.039 -12.003 -3.849 1.00 0.00 C ATOM 770 CZ PHE A 50 2.677 -13.203 -3.904 1.00 0.00 C ATOM 0 H PHE A 50 2.410 -8.527 0.668 1.00 0.00 H new ATOM 0 HA PHE A 50 2.719 -11.473 0.518 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.596 -9.291 -1.323 1.00 0.00 H new ATOM 0 HB3 PHE A 50 4.906 -10.333 -0.804 1.00 0.00 H new ATOM 0 HD1 PHE A 50 4.851 -12.744 -1.355 1.00 0.00 H new ATOM 0 HD2 PHE A 50 1.912 -10.089 -2.830 1.00 0.00 H new ATOM 0 HE1 PHE A 50 4.183 -14.436 -3.070 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.245 -11.781 -4.546 1.00 0.00 H new ATOM 0 HZ PHE A 50 2.389 -13.934 -4.645 1.00 0.00 H new ATOM 780 N ASP A 51 3.698 -9.741 2.638 1.00 0.00 N ATOM 781 CA ASP A 51 4.565 -9.493 3.777 1.00 0.00 C ATOM 782 C ASP A 51 5.931 -9.015 3.279 1.00 0.00 C ATOM 783 O ASP A 51 6.949 -9.655 3.536 1.00 0.00 O ATOM 784 CB ASP A 51 4.781 -10.770 4.593 1.00 0.00 C ATOM 785 CG ASP A 51 5.271 -10.547 6.025 1.00 0.00 C ATOM 786 OD1 ASP A 51 4.491 -10.623 6.986 1.00 0.00 O ATOM 787 OD2 ASP A 51 6.529 -10.282 6.135 1.00 0.00 O ATOM 0 H ASP A 51 2.723 -9.475 2.778 1.00 0.00 H new ATOM 0 HA ASP A 51 4.090 -8.739 4.404 1.00 0.00 H new ATOM 0 HB2 ASP A 51 3.843 -11.324 4.628 1.00 0.00 H new ATOM 0 HB3 ASP A 51 5.503 -11.399 4.072 1.00 0.00 H new ATOM 793 N THR A 52 5.908 -7.893 2.575 1.00 0.00 N ATOM 794 CA THR A 52 7.131 -7.321 2.039 1.00 0.00 C ATOM 795 C THR A 52 7.586 -6.137 2.894 1.00 0.00 C ATOM 796 O THR A 52 8.728 -5.691 2.787 1.00 0.00 O ATOM 797 CB THR A 52 6.878 -6.951 0.575 1.00 0.00 C ATOM 798 OG1 THR A 52 5.490 -6.636 0.532 1.00 0.00 O ATOM 799 CG2 THR A 52 7.017 -8.151 -0.364 1.00 0.00 C ATOM 0 H THR A 52 5.062 -7.365 2.363 1.00 0.00 H new ATOM 0 HA THR A 52 7.950 -8.039 2.072 1.00 0.00 H new ATOM 0 HB THR A 52 7.575 -6.170 0.272 1.00 0.00 H new ATOM 0 HG1 THR A 52 5.205 -6.539 -0.401 1.00 0.00 H new ATOM 0 HG21 THR A 52 6.828 -7.834 -1.390 1.00 0.00 H new ATOM 0 HG22 THR A 52 8.026 -8.556 -0.290 1.00 0.00 H new ATOM 0 HG23 THR A 52 6.296 -8.919 -0.082 1.00 0.00 H new ATOM 807 N GLU A 53 6.670 -5.661 3.725 1.00 0.00 N ATOM 808 CA GLU A 53 6.963 -4.538 4.598 1.00 0.00 C ATOM 809 C GLU A 53 7.832 -3.511 3.869 1.00 0.00 C ATOM 810 O GLU A 53 9.056 -3.535 3.985 1.00 0.00 O ATOM 811 CB GLU A 53 7.636 -5.008 5.889 1.00 0.00 C ATOM 812 CG GLU A 53 8.757 -6.006 5.591 1.00 0.00 C ATOM 813 CD GLU A 53 9.463 -6.437 6.878 1.00 0.00 C ATOM 814 OE1 GLU A 53 8.797 -6.773 7.868 1.00 0.00 O ATOM 815 OE2 GLU A 53 10.752 -6.416 6.826 1.00 0.00 O ATOM 0 H GLU A 53 5.724 -6.033 3.812 1.00 0.00 H new ATOM 0 HA GLU A 53 6.022 -4.060 4.871 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.041 -4.150 6.425 1.00 0.00 H new ATOM 0 HB3 GLU A 53 6.896 -5.471 6.541 1.00 0.00 H new ATOM 0 HG2 GLU A 53 8.346 -6.881 5.087 1.00 0.00 H new ATOM 0 HG3 GLU A 53 9.478 -5.555 4.909 1.00 0.00 H new ATOM 823 N ILE A 54 7.165 -2.634 3.134 1.00 0.00 N ATOM 824 CA ILE A 54 7.861 -1.600 2.386 1.00 0.00 C ATOM 825 C ILE A 54 8.394 -0.546 3.358 1.00 0.00 C ATOM 826 O ILE A 54 7.684 -0.119 4.267 1.00 0.00 O ATOM 827 CB ILE A 54 6.956 -1.029 1.293 1.00 0.00 C ATOM 828 CG1 ILE A 54 7.111 -1.812 -0.012 1.00 0.00 C ATOM 829 CG2 ILE A 54 7.211 0.467 1.097 1.00 0.00 C ATOM 830 CD1 ILE A 54 8.374 -1.384 -0.763 1.00 0.00 C ATOM 0 H ILE A 54 6.149 -2.618 3.040 1.00 0.00 H new ATOM 0 HA ILE A 54 8.723 -2.019 1.866 1.00 0.00 H new ATOM 0 HB ILE A 54 5.920 -1.140 1.614 1.00 0.00 H new ATOM 0 HG12 ILE A 54 7.156 -2.879 0.204 1.00 0.00 H new ATOM 0 HG13 ILE A 54 6.237 -1.651 -0.643 1.00 0.00 H new ATOM 0 HG21 ILE A 54 6.555 0.848 0.315 1.00 0.00 H new ATOM 0 HG22 ILE A 54 7.010 0.996 2.029 1.00 0.00 H new ATOM 0 HG23 ILE A 54 8.250 0.624 0.808 1.00 0.00 H new ATOM 0 HD11 ILE A 54 8.460 -1.956 -1.687 1.00 0.00 H new ATOM 0 HD12 ILE A 54 8.315 -0.321 -0.999 1.00 0.00 H new ATOM 0 HD13 ILE A 54 9.249 -1.569 -0.139 1.00 0.00 H new ATOM 842 N PRO A 55 9.673 -0.144 3.125 1.00 0.00 N ATOM 843 CA PRO A 55 10.309 0.853 3.969 1.00 0.00 C ATOM 844 C PRO A 55 9.777 2.253 3.660 1.00 0.00 C ATOM 845 O PRO A 55 8.757 2.399 2.987 1.00 0.00 O ATOM 846 CB PRO A 55 11.797 0.709 3.695 1.00 0.00 C ATOM 847 CG PRO A 55 11.907 -0.036 2.374 1.00 0.00 C ATOM 848 CD PRO A 55 10.543 -0.628 2.058 1.00 0.00 C ATOM 0 HA PRO A 55 10.096 0.705 5.028 1.00 0.00 H new ATOM 0 HB2 PRO A 55 12.279 1.685 3.635 1.00 0.00 H new ATOM 0 HB3 PRO A 55 12.290 0.159 4.496 1.00 0.00 H new ATOM 0 HG2 PRO A 55 12.223 0.640 1.580 1.00 0.00 H new ATOM 0 HG3 PRO A 55 12.658 -0.823 2.441 1.00 0.00 H new ATOM 0 HD2 PRO A 55 10.188 -0.304 1.080 1.00 0.00 H new ATOM 0 HD3 PRO A 55 10.579 -1.717 2.040 1.00 0.00 H new ATOM 856 N ASP A 56 10.491 3.248 4.166 1.00 0.00 N ATOM 857 CA ASP A 56 10.103 4.632 3.952 1.00 0.00 C ATOM 858 C ASP A 56 10.931 5.218 2.807 1.00 0.00 C ATOM 859 O ASP A 56 10.599 6.276 2.274 1.00 0.00 O ATOM 860 CB ASP A 56 10.361 5.476 5.202 1.00 0.00 C ATOM 861 CG ASP A 56 9.147 6.248 5.723 1.00 0.00 C ATOM 862 OD1 ASP A 56 8.294 5.694 6.433 1.00 0.00 O ATOM 863 OD2 ASP A 56 9.095 7.487 5.366 1.00 0.00 O ATOM 0 H ASP A 56 11.336 3.123 4.724 1.00 0.00 H new ATOM 0 HA ASP A 56 9.039 4.651 3.717 1.00 0.00 H new ATOM 0 HB2 ASP A 56 10.724 4.822 5.995 1.00 0.00 H new ATOM 0 HB3 ASP A 56 11.158 6.187 4.984 1.00 0.00 H new ATOM 869 N GLU A 57 11.994 4.505 2.462 1.00 0.00 N ATOM 870 CA GLU A 57 12.872 4.941 1.390 1.00 0.00 C ATOM 871 C GLU A 57 12.312 4.505 0.035 1.00 0.00 C ATOM 872 O GLU A 57 11.982 5.343 -0.803 1.00 0.00 O ATOM 873 CB GLU A 57 14.292 4.409 1.594 1.00 0.00 C ATOM 874 CG GLU A 57 15.326 5.522 1.412 1.00 0.00 C ATOM 875 CD GLU A 57 16.749 4.967 1.494 1.00 0.00 C ATOM 876 OE1 GLU A 57 17.050 3.937 0.871 1.00 0.00 O ATOM 877 OE2 GLU A 57 17.557 5.645 2.236 1.00 0.00 O ATOM 0 H GLU A 57 12.267 3.628 2.906 1.00 0.00 H new ATOM 0 HA GLU A 57 12.922 6.030 1.407 1.00 0.00 H new ATOM 0 HB2 GLU A 57 14.384 3.982 2.593 1.00 0.00 H new ATOM 0 HB3 GLU A 57 14.489 3.605 0.884 1.00 0.00 H new ATOM 0 HG2 GLU A 57 15.176 6.008 0.448 1.00 0.00 H new ATOM 0 HG3 GLU A 57 15.184 6.284 2.179 1.00 0.00 H new ATOM 885 N GLU A 58 12.222 3.194 -0.138 1.00 0.00 N ATOM 886 CA GLU A 58 11.708 2.637 -1.378 1.00 0.00 C ATOM 887 C GLU A 58 10.242 3.030 -1.569 1.00 0.00 C ATOM 888 O GLU A 58 9.709 2.938 -2.674 1.00 0.00 O ATOM 889 CB GLU A 58 11.876 1.116 -1.406 1.00 0.00 C ATOM 890 CG GLU A 58 13.028 0.709 -2.328 1.00 0.00 C ATOM 891 CD GLU A 58 13.592 -0.656 -1.930 1.00 0.00 C ATOM 892 OE1 GLU A 58 12.879 -1.468 -1.322 1.00 0.00 O ATOM 893 OE2 GLU A 58 14.818 -0.861 -2.277 1.00 0.00 O ATOM 0 H GLU A 58 12.496 2.502 0.559 1.00 0.00 H new ATOM 0 HA GLU A 58 12.285 3.049 -2.206 1.00 0.00 H new ATOM 0 HB2 GLU A 58 12.065 0.749 -0.397 1.00 0.00 H new ATOM 0 HB3 GLU A 58 10.951 0.650 -1.746 1.00 0.00 H new ATOM 0 HG2 GLU A 58 12.678 0.675 -3.360 1.00 0.00 H new ATOM 0 HG3 GLU A 58 13.817 1.460 -2.283 1.00 0.00 H new ATOM 901 N ALA A 59 9.630 3.460 -0.475 1.00 0.00 N ATOM 902 CA ALA A 59 8.236 3.867 -0.508 1.00 0.00 C ATOM 903 C ALA A 59 8.103 5.150 -1.330 1.00 0.00 C ATOM 904 O ALA A 59 7.158 5.302 -2.102 1.00 0.00 O ATOM 905 CB ALA A 59 7.719 4.036 0.923 1.00 0.00 C ATOM 0 H ALA A 59 10.075 3.535 0.440 1.00 0.00 H new ATOM 0 HA ALA A 59 7.625 3.103 -0.988 1.00 0.00 H new ATOM 0 HB1 ALA A 59 6.673 4.341 0.898 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.808 3.090 1.456 1.00 0.00 H new ATOM 0 HB3 ALA A 59 8.307 4.798 1.435 1.00 0.00 H new ATOM 911 N GLU A 60 9.065 6.041 -1.138 1.00 0.00 N ATOM 912 CA GLU A 60 9.068 7.306 -1.852 1.00 0.00 C ATOM 913 C GLU A 60 9.138 7.063 -3.361 1.00 0.00 C ATOM 914 O GLU A 60 8.487 7.762 -4.137 1.00 0.00 O ATOM 915 CB GLU A 60 10.221 8.197 -1.386 1.00 0.00 C ATOM 916 CG GLU A 60 9.777 9.657 -1.278 1.00 0.00 C ATOM 917 CD GLU A 60 10.776 10.474 -0.456 1.00 0.00 C ATOM 918 OE1 GLU A 60 10.985 10.186 0.731 1.00 0.00 O ATOM 919 OE2 GLU A 60 11.346 11.440 -1.094 1.00 0.00 O ATOM 0 H GLU A 60 9.848 5.911 -0.498 1.00 0.00 H new ATOM 0 HA GLU A 60 8.137 7.828 -1.630 1.00 0.00 H new ATOM 0 HB2 GLU A 60 10.584 7.851 -0.418 1.00 0.00 H new ATOM 0 HB3 GLU A 60 11.053 8.117 -2.086 1.00 0.00 H new ATOM 0 HG2 GLU A 60 9.683 10.087 -2.275 1.00 0.00 H new ATOM 0 HG3 GLU A 60 8.792 9.708 -0.815 1.00 0.00 H new ATOM 927 N LYS A 61 9.933 6.071 -3.732 1.00 0.00 N ATOM 928 CA LYS A 61 10.097 5.727 -5.135 1.00 0.00 C ATOM 929 C LYS A 61 8.967 4.787 -5.560 1.00 0.00 C ATOM 930 O LYS A 61 8.949 4.304 -6.691 1.00 0.00 O ATOM 931 CB LYS A 61 11.495 5.161 -5.388 1.00 0.00 C ATOM 932 CG LYS A 61 11.488 3.632 -5.329 1.00 0.00 C ATOM 933 CD LYS A 61 12.880 3.065 -5.613 1.00 0.00 C ATOM 934 CE LYS A 61 12.786 1.708 -6.313 1.00 0.00 C ATOM 935 NZ LYS A 61 13.671 1.674 -7.499 1.00 0.00 N ATOM 0 H LYS A 61 10.471 5.494 -3.086 1.00 0.00 H new ATOM 0 HA LYS A 61 10.022 6.619 -5.757 1.00 0.00 H new ATOM 0 HB2 LYS A 61 11.853 5.489 -6.364 1.00 0.00 H new ATOM 0 HB3 LYS A 61 12.190 5.554 -4.646 1.00 0.00 H new ATOM 0 HG2 LYS A 61 11.152 3.304 -4.345 1.00 0.00 H new ATOM 0 HG3 LYS A 61 10.777 3.240 -6.056 1.00 0.00 H new ATOM 0 HD2 LYS A 61 13.440 3.762 -6.236 1.00 0.00 H new ATOM 0 HD3 LYS A 61 13.431 2.959 -4.679 1.00 0.00 H new ATOM 0 HE2 LYS A 61 13.066 0.915 -5.620 1.00 0.00 H new ATOM 0 HE3 LYS A 61 11.756 1.519 -6.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 13.595 0.746 -7.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 13.386 2.419 -8.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 14.655 1.833 -7.203 1.00 0.00 H new ATOM 948 N ILE A 62 8.051 4.557 -4.631 1.00 0.00 N ATOM 949 CA ILE A 62 6.920 3.683 -4.896 1.00 0.00 C ATOM 950 C ILE A 62 5.623 4.411 -4.533 1.00 0.00 C ATOM 951 O ILE A 62 4.587 3.778 -4.336 1.00 0.00 O ATOM 952 CB ILE A 62 7.096 2.345 -4.176 1.00 0.00 C ATOM 953 CG1 ILE A 62 8.299 1.578 -4.730 1.00 0.00 C ATOM 954 CG2 ILE A 62 5.811 1.517 -4.235 1.00 0.00 C ATOM 955 CD1 ILE A 62 8.662 0.400 -3.826 1.00 0.00 C ATOM 0 H ILE A 62 8.068 4.960 -3.694 1.00 0.00 H new ATOM 0 HA ILE A 62 6.865 3.442 -5.958 1.00 0.00 H new ATOM 0 HB ILE A 62 7.300 2.547 -3.125 1.00 0.00 H new ATOM 0 HG12 ILE A 62 8.073 1.215 -5.733 1.00 0.00 H new ATOM 0 HG13 ILE A 62 9.153 2.249 -4.819 1.00 0.00 H new ATOM 0 HG21 ILE A 62 5.964 0.571 -3.716 1.00 0.00 H new ATOM 0 HG22 ILE A 62 5.001 2.067 -3.756 1.00 0.00 H new ATOM 0 HG23 ILE A 62 5.551 1.322 -5.275 1.00 0.00 H new ATOM 0 HD11 ILE A 62 9.520 -0.128 -4.243 1.00 0.00 H new ATOM 0 HD12 ILE A 62 8.911 0.768 -2.831 1.00 0.00 H new ATOM 0 HD13 ILE A 62 7.814 -0.282 -3.759 1.00 0.00 H new ATOM 967 N THR A 63 5.724 5.729 -4.455 1.00 0.00 N ATOM 968 CA THR A 63 4.572 6.549 -4.119 1.00 0.00 C ATOM 969 C THR A 63 3.442 6.318 -5.124 1.00 0.00 C ATOM 970 O THR A 63 2.358 5.871 -4.753 1.00 0.00 O ATOM 971 CB THR A 63 5.034 8.006 -4.048 1.00 0.00 C ATOM 972 OG1 THR A 63 5.645 8.239 -5.314 1.00 0.00 O ATOM 973 CG2 THR A 63 6.169 8.213 -3.043 1.00 0.00 C ATOM 0 H THR A 63 6.585 6.250 -4.619 1.00 0.00 H new ATOM 0 HA THR A 63 4.161 6.275 -3.147 1.00 0.00 H new ATOM 0 HB THR A 63 4.190 8.641 -3.778 1.00 0.00 H new ATOM 0 HG1 THR A 63 6.617 8.148 -5.230 1.00 0.00 H new ATOM 0 HG21 THR A 63 6.459 9.264 -3.032 1.00 0.00 H new ATOM 0 HG22 THR A 63 5.833 7.919 -2.049 1.00 0.00 H new ATOM 0 HG23 THR A 63 7.026 7.604 -3.331 1.00 0.00 H new ATOM 981 N THR A 64 3.734 6.634 -6.378 1.00 0.00 N ATOM 982 CA THR A 64 2.756 6.467 -7.439 1.00 0.00 C ATOM 983 C THR A 64 2.002 5.147 -7.266 1.00 0.00 C ATOM 984 O THR A 64 2.494 4.228 -6.612 1.00 0.00 O ATOM 985 CB THR A 64 3.487 6.578 -8.778 1.00 0.00 C ATOM 986 OG1 THR A 64 4.775 6.027 -8.517 1.00 0.00 O ATOM 987 CG2 THR A 64 3.775 8.029 -9.169 1.00 0.00 C ATOM 0 H THR A 64 4.634 7.005 -6.682 1.00 0.00 H new ATOM 0 HA THR A 64 1.995 7.247 -7.402 1.00 0.00 H new ATOM 0 HB THR A 64 2.891 6.103 -9.557 1.00 0.00 H new ATOM 0 HG1 THR A 64 5.316 6.058 -9.334 1.00 0.00 H new ATOM 0 HG21 THR A 64 4.295 8.051 -10.127 1.00 0.00 H new ATOM 0 HG22 THR A 64 2.836 8.576 -9.253 1.00 0.00 H new ATOM 0 HG23 THR A 64 4.399 8.494 -8.406 1.00 0.00 H new ATOM 995 N VAL A 65 0.821 5.094 -7.864 1.00 0.00 N ATOM 996 CA VAL A 65 -0.005 3.901 -7.784 1.00 0.00 C ATOM 997 C VAL A 65 0.640 2.783 -8.605 1.00 0.00 C ATOM 998 O VAL A 65 0.954 1.719 -8.072 1.00 0.00 O ATOM 999 CB VAL A 65 -1.433 4.223 -8.231 1.00 0.00 C ATOM 1000 CG1 VAL A 65 -2.184 2.950 -8.626 1.00 0.00 C ATOM 1001 CG2 VAL A 65 -2.188 4.991 -7.145 1.00 0.00 C ATOM 0 H VAL A 65 0.416 5.858 -8.406 1.00 0.00 H new ATOM 0 HA VAL A 65 -0.071 3.551 -6.754 1.00 0.00 H new ATOM 0 HB VAL A 65 -1.372 4.863 -9.112 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -3.196 3.207 -8.940 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -1.663 2.460 -9.448 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.229 2.274 -7.772 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -3.200 5.207 -7.489 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -2.234 4.388 -6.238 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -1.669 5.926 -6.933 1.00 0.00 H new ATOM 1011 N GLN A 66 0.820 3.062 -9.887 1.00 0.00 N ATOM 1012 CA GLN A 66 1.422 2.092 -10.787 1.00 0.00 C ATOM 1013 C GLN A 66 2.726 1.556 -10.192 1.00 0.00 C ATOM 1014 O GLN A 66 3.193 0.484 -10.576 1.00 0.00 O ATOM 1015 CB GLN A 66 1.661 2.702 -12.170 1.00 0.00 C ATOM 1016 CG GLN A 66 2.120 1.636 -13.166 1.00 0.00 C ATOM 1017 CD GLN A 66 0.992 1.264 -14.131 1.00 0.00 C ATOM 1018 OE1 GLN A 66 0.320 2.111 -14.697 1.00 0.00 O ATOM 1019 NE2 GLN A 66 0.822 -0.046 -14.286 1.00 0.00 N ATOM 0 H GLN A 66 0.560 3.946 -10.325 1.00 0.00 H new ATOM 0 HA GLN A 66 0.730 1.259 -10.908 1.00 0.00 H new ATOM 0 HB2 GLN A 66 0.744 3.170 -12.529 1.00 0.00 H new ATOM 0 HB3 GLN A 66 2.413 3.488 -12.100 1.00 0.00 H new ATOM 0 HG2 GLN A 66 2.978 2.004 -13.729 1.00 0.00 H new ATOM 0 HG3 GLN A 66 2.450 0.748 -12.627 1.00 0.00 H new ATOM 0 HE21 GLN A 66 1.420 -0.701 -13.782 1.00 0.00 H new ATOM 0 HE22 GLN A 66 0.094 -0.396 -14.909 1.00 0.00 H new ATOM 1028 N ALA A 67 3.277 2.325 -9.265 1.00 0.00 N ATOM 1029 CA ALA A 67 4.518 1.941 -8.614 1.00 0.00 C ATOM 1030 C ALA A 67 4.262 0.731 -7.712 1.00 0.00 C ATOM 1031 O ALA A 67 5.141 -0.109 -7.531 1.00 0.00 O ATOM 1032 CB ALA A 67 5.081 3.135 -7.841 1.00 0.00 C ATOM 0 H ALA A 67 2.887 3.213 -8.949 1.00 0.00 H new ATOM 0 HA ALA A 67 5.265 1.650 -9.353 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.012 2.846 -7.353 1.00 0.00 H new ATOM 0 HB2 ALA A 67 5.273 3.957 -8.530 1.00 0.00 H new ATOM 0 HB3 ALA A 67 4.360 3.454 -7.088 1.00 0.00 H new ATOM 1038 N ALA A 68 3.054 0.682 -7.171 1.00 0.00 N ATOM 1039 CA ALA A 68 2.671 -0.411 -6.293 1.00 0.00 C ATOM 1040 C ALA A 68 2.162 -1.582 -7.136 1.00 0.00 C ATOM 1041 O ALA A 68 1.701 -2.586 -6.595 1.00 0.00 O ATOM 1042 CB ALA A 68 1.626 0.082 -5.290 1.00 0.00 C ATOM 0 H ALA A 68 2.327 1.381 -7.323 1.00 0.00 H new ATOM 0 HA ALA A 68 3.530 -0.764 -5.722 1.00 0.00 H new ATOM 0 HB1 ALA A 68 1.339 -0.738 -4.631 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.046 0.894 -4.697 1.00 0.00 H new ATOM 0 HB3 ALA A 68 0.748 0.441 -5.827 1.00 0.00 H new ATOM 1048 N ILE A 69 2.264 -1.415 -8.446 1.00 0.00 N ATOM 1049 CA ILE A 69 1.821 -2.446 -9.369 1.00 0.00 C ATOM 1050 C ILE A 69 3.036 -3.053 -10.072 1.00 0.00 C ATOM 1051 O ILE A 69 3.009 -4.215 -10.474 1.00 0.00 O ATOM 1052 CB ILE A 69 0.769 -1.889 -10.330 1.00 0.00 C ATOM 1053 CG1 ILE A 69 -0.603 -1.811 -9.657 1.00 0.00 C ATOM 1054 CG2 ILE A 69 0.726 -2.700 -11.626 1.00 0.00 C ATOM 1055 CD1 ILE A 69 -0.875 -0.401 -9.128 1.00 0.00 C ATOM 0 H ILE A 69 2.647 -0.581 -8.891 1.00 0.00 H new ATOM 0 HA ILE A 69 1.329 -3.255 -8.828 1.00 0.00 H new ATOM 0 HB ILE A 69 1.055 -0.871 -10.596 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -1.378 -2.092 -10.370 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -0.651 -2.527 -8.836 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -0.030 -2.283 -12.291 1.00 0.00 H new ATOM 0 HG22 ILE A 69 1.700 -2.659 -12.113 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.477 -3.737 -11.398 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -1.856 -0.373 -8.655 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -0.112 -0.133 -8.397 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -0.851 0.309 -9.955 1.00 0.00 H new ATOM 1067 N ASP A 70 4.074 -2.239 -10.199 1.00 0.00 N ATOM 1068 CA ASP A 70 5.297 -2.681 -10.847 1.00 0.00 C ATOM 1069 C ASP A 70 6.150 -3.458 -9.841 1.00 0.00 C ATOM 1070 O ASP A 70 6.704 -4.505 -10.171 1.00 0.00 O ATOM 1071 CB ASP A 70 6.119 -1.490 -11.343 1.00 0.00 C ATOM 1072 CG ASP A 70 6.478 -1.526 -12.829 1.00 0.00 C ATOM 1073 OD1 ASP A 70 5.724 -1.033 -13.681 1.00 0.00 O ATOM 1074 OD2 ASP A 70 7.601 -2.099 -13.105 1.00 0.00 O ATOM 0 H ASP A 70 4.093 -1.276 -9.864 1.00 0.00 H new ATOM 0 HA ASP A 70 5.022 -3.307 -11.695 1.00 0.00 H new ATOM 0 HB2 ASP A 70 5.563 -0.575 -11.141 1.00 0.00 H new ATOM 0 HB3 ASP A 70 7.041 -1.437 -10.763 1.00 0.00 H new ATOM 1080 N TYR A 71 6.227 -2.914 -8.635 1.00 0.00 N ATOM 1081 CA TYR A 71 7.002 -3.543 -7.580 1.00 0.00 C ATOM 1082 C TYR A 71 6.306 -4.804 -7.064 1.00 0.00 C ATOM 1083 O TYR A 71 6.965 -5.754 -6.643 1.00 0.00 O ATOM 1084 CB TYR A 71 7.080 -2.519 -6.446 1.00 0.00 C ATOM 1085 CG TYR A 71 8.429 -2.492 -5.723 1.00 0.00 C ATOM 1086 CD1 TYR A 71 9.549 -2.012 -6.371 1.00 0.00 C ATOM 1087 CD2 TYR A 71 8.525 -2.947 -4.424 1.00 0.00 C ATOM 1088 CE1 TYR A 71 10.818 -1.986 -5.691 1.00 0.00 C ATOM 1089 CE2 TYR A 71 9.794 -2.921 -3.744 1.00 0.00 C ATOM 1090 CZ TYR A 71 10.878 -2.442 -4.411 1.00 0.00 C ATOM 1091 OH TYR A 71 12.076 -2.418 -3.769 1.00 0.00 O ATOM 0 H TYR A 71 5.766 -2.045 -8.366 1.00 0.00 H new ATOM 0 HA TYR A 71 7.985 -3.835 -7.949 1.00 0.00 H new ATOM 0 HB2 TYR A 71 6.877 -1.528 -6.851 1.00 0.00 H new ATOM 0 HB3 TYR A 71 6.295 -2.735 -5.721 1.00 0.00 H new ATOM 0 HD1 TYR A 71 9.474 -1.656 -7.388 1.00 0.00 H new ATOM 0 HD2 TYR A 71 7.648 -3.323 -3.917 1.00 0.00 H new ATOM 0 HE1 TYR A 71 11.702 -1.613 -6.186 1.00 0.00 H new ATOM 0 HE2 TYR A 71 9.883 -3.274 -2.727 1.00 0.00 H new ATOM 0 HH TYR A 71 11.928 -2.363 -2.802 1.00 0.00 H new ATOM 1101 N ILE A 72 4.982 -4.773 -7.115 1.00 0.00 N ATOM 1102 CA ILE A 72 4.189 -5.902 -6.658 1.00 0.00 C ATOM 1103 C ILE A 72 4.175 -6.981 -7.742 1.00 0.00 C ATOM 1104 O ILE A 72 4.150 -8.173 -7.437 1.00 0.00 O ATOM 1105 CB ILE A 72 2.794 -5.439 -6.233 1.00 0.00 C ATOM 1106 CG1 ILE A 72 2.839 -4.735 -4.876 1.00 0.00 C ATOM 1107 CG2 ILE A 72 1.803 -6.605 -6.241 1.00 0.00 C ATOM 1108 CD1 ILE A 72 3.377 -5.670 -3.791 1.00 0.00 C ATOM 0 H ILE A 72 4.439 -3.984 -7.466 1.00 0.00 H new ATOM 0 HA ILE A 72 4.636 -6.348 -5.770 1.00 0.00 H new ATOM 0 HB ILE A 72 2.440 -4.710 -6.962 1.00 0.00 H new ATOM 0 HG12 ILE A 72 3.470 -3.849 -4.943 1.00 0.00 H new ATOM 0 HG13 ILE A 72 1.839 -4.395 -4.605 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.819 -6.249 -5.935 1.00 0.00 H new ATOM 0 HG22 ILE A 72 1.741 -7.023 -7.246 1.00 0.00 H new ATOM 0 HG23 ILE A 72 2.142 -7.375 -5.548 1.00 0.00 H new ATOM 0 HD11 ILE A 72 3.399 -5.145 -2.836 1.00 0.00 H new ATOM 0 HD12 ILE A 72 2.730 -6.544 -3.710 1.00 0.00 H new ATOM 0 HD13 ILE A 72 4.386 -5.989 -4.053 1.00 0.00 H new ATOM 1120 N ASN A 73 4.192 -6.526 -8.986 1.00 0.00 N ATOM 1121 CA ASN A 73 4.182 -7.438 -10.117 1.00 0.00 C ATOM 1122 C ASN A 73 5.247 -8.516 -9.907 1.00 0.00 C ATOM 1123 O ASN A 73 5.081 -9.652 -10.349 1.00 0.00 O ATOM 1124 CB ASN A 73 4.504 -6.704 -11.420 1.00 0.00 C ATOM 1125 CG ASN A 73 3.541 -7.117 -12.535 1.00 0.00 C ATOM 1126 OD1 ASN A 73 3.839 -7.958 -13.368 1.00 0.00 O ATOM 1127 ND2 ASN A 73 2.373 -6.482 -12.505 1.00 0.00 N ATOM 0 H ASN A 73 4.213 -5.537 -9.236 1.00 0.00 H new ATOM 0 HA ASN A 73 3.187 -7.877 -10.187 1.00 0.00 H new ATOM 0 HB2 ASN A 73 4.441 -5.628 -11.260 1.00 0.00 H new ATOM 0 HB3 ASN A 73 5.529 -6.922 -11.721 1.00 0.00 H new ATOM 0 HD21 ASN A 73 1.662 -6.688 -13.207 1.00 0.00 H new ATOM 0 HD22 ASN A 73 2.188 -5.789 -11.780 1.00 0.00 H new ATOM 1134 N GLY A 74 6.318 -8.122 -9.233 1.00 0.00 N ATOM 1135 CA GLY A 74 7.410 -9.040 -8.959 1.00 0.00 C ATOM 1136 C GLY A 74 6.881 -10.393 -8.479 1.00 0.00 C ATOM 1137 O GLY A 74 7.555 -11.413 -8.619 1.00 0.00 O ATOM 0 H GLY A 74 6.452 -7.179 -8.869 1.00 0.00 H new ATOM 0 HA2 GLY A 74 8.008 -9.178 -9.860 1.00 0.00 H new ATOM 0 HA3 GLY A 74 8.068 -8.613 -8.202 1.00 0.00 H new ATOM 1141 N HIS A 75 5.679 -10.359 -7.923 1.00 0.00 N ATOM 1142 CA HIS A 75 5.052 -11.570 -7.421 1.00 0.00 C ATOM 1143 C HIS A 75 5.097 -12.656 -8.499 1.00 0.00 C ATOM 1144 O HIS A 75 5.625 -13.742 -8.269 1.00 0.00 O ATOM 1145 CB HIS A 75 3.632 -11.283 -6.928 1.00 0.00 C ATOM 1146 CG HIS A 75 2.633 -12.362 -7.270 1.00 0.00 C ATOM 1147 ND1 HIS A 75 2.943 -13.710 -7.229 1.00 0.00 N ATOM 1148 CD2 HIS A 75 1.328 -12.278 -7.657 1.00 0.00 C ATOM 1149 CE1 HIS A 75 1.865 -14.397 -7.580 1.00 0.00 C ATOM 1150 NE2 HIS A 75 0.866 -13.508 -7.845 1.00 0.00 N ATOM 0 H HIS A 75 5.122 -9.512 -7.809 1.00 0.00 H new ATOM 0 HA HIS A 75 5.606 -11.939 -6.558 1.00 0.00 H new ATOM 0 HB2 HIS A 75 3.654 -11.152 -5.846 1.00 0.00 H new ATOM 0 HB3 HIS A 75 3.293 -10.340 -7.357 1.00 0.00 H new ATOM 0 HD1 HIS A 75 3.847 -14.107 -6.972 1.00 0.00 H new ATOM 0 HD2 HIS A 75 0.766 -11.365 -7.788 1.00 0.00 H new ATOM 0 HE1 HIS A 75 1.791 -15.473 -7.645 1.00 0.00 H new ATOM 1158 N GLN A 76 4.536 -12.323 -9.652 1.00 0.00 N ATOM 1159 CA GLN A 76 4.505 -13.256 -10.766 1.00 0.00 C ATOM 1160 C GLN A 76 5.921 -13.502 -11.291 1.00 0.00 C ATOM 1161 O GLN A 76 6.665 -12.557 -11.547 1.00 0.00 O ATOM 1162 CB GLN A 76 3.587 -12.749 -11.880 1.00 0.00 C ATOM 1163 CG GLN A 76 4.201 -11.540 -12.589 1.00 0.00 C ATOM 1164 CD GLN A 76 3.147 -10.462 -12.847 1.00 0.00 C ATOM 1165 OE1 GLN A 76 2.846 -9.732 -11.777 1.00 0.00 O flip ATOM 1166 NE2 GLN A 76 2.640 -10.303 -13.946 1.00 0.00 N flip ATOM 0 H GLN A 76 4.099 -11.420 -9.839 1.00 0.00 H new ATOM 0 HA GLN A 76 4.101 -14.204 -10.411 1.00 0.00 H new ATOM 0 HB2 GLN A 76 3.410 -13.547 -12.601 1.00 0.00 H new ATOM 0 HB3 GLN A 76 2.618 -12.476 -11.462 1.00 0.00 H new ATOM 0 HG2 GLN A 76 5.006 -11.128 -11.981 1.00 0.00 H new ATOM 0 HG3 GLN A 76 4.644 -11.854 -13.534 1.00 0.00 H new ATOM 0 HE21 GLN A 76 2.917 -10.899 -14.726 1.00 0.00 H new ATOM 0 HE22 GLN A 76 1.940 -9.574 -14.084 1.00 0.00 H new