USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 588 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 52 THR OG1 : rot 180:sc= 0.00628 USER MOD Set 1.2: A 71 TYR OH : rot -122:sc= 0.00675 USER MOD Set 1.3: A 75 HIS : no HD1:sc= -0.278 X(o=-0.26,f=-0.024) USER MOD Set 2.1: A 23 THR OG1 : rot 129:sc= -0.913 USER MOD Set 2.2: A 24 ASN : amide:sc= -1.99! C(o=-2.5!,f=-7.6!) USER MOD Set 2.3: A 25 ASN : amide:sc= 0.432 K(o=-2.5,f=-9.5!) USER MOD Single : A 1 SER N :NH3+ -177:sc= 0 (180deg=-0.0117) USER MOD Single : A 1 SER OG : rot 140:sc=-0.00945 USER MOD Single : A 2 THR OG1 : rot -8:sc= -0.384! USER MOD Single : A 8 LYS NZ :NH3+ -164:sc= 0.564 (180deg=0.445) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= -0.885 K(o=-0.88,f=-2.9!) USER MOD Single : A 14 GLN :FLIP amide:sc= -11.6! C(o=-13!,f=-12!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -0.16 X(o=-0.16,f=-0.004) USER MOD Single : A 27 SER OG : rot 180:sc= -1.8! 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 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot -30:sc= 1.13 USER MOD Single : A 64 THR OG1 : rot -84:sc= 0.442 USER MOD Single : A 66 GLN :FLIP amide:sc= -0.523 F(o=-1.3,f=-0.52) USER MOD Single : A 73 ASN :FLIP amide:sc= -0.593 F(o=-2.5,f=-0.59) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -2.742 -11.722 -10.151 1.00 0.00 N ATOM 2 CA SER A 1 -1.905 -10.998 -9.209 1.00 0.00 C ATOM 3 C SER A 1 -2.167 -11.497 -7.787 1.00 0.00 C ATOM 4 O SER A 1 -1.233 -11.846 -7.066 1.00 0.00 O ATOM 5 CB SER A 1 -2.153 -9.491 -9.297 1.00 0.00 C ATOM 6 OG SER A 1 -2.236 -9.041 -10.647 1.00 0.00 O ATOM 0 H1 SER A 1 -2.522 -11.413 -11.119 1.00 0.00 H new ATOM 0 H2 SER A 1 -2.561 -12.742 -10.063 1.00 0.00 H new ATOM 0 H3 SER A 1 -3.743 -11.529 -9.945 1.00 0.00 H new ATOM 0 HA SER A 1 -0.862 -11.182 -9.466 1.00 0.00 H new ATOM 0 HB2 SER A 1 -3.078 -9.245 -8.775 1.00 0.00 H new ATOM 0 HB3 SER A 1 -1.349 -8.961 -8.787 1.00 0.00 H new ATOM 0 HG SER A 1 -2.949 -8.374 -10.726 1.00 0.00 H new ATOM 12 N THR A 2 -3.441 -11.514 -7.425 1.00 0.00 N ATOM 13 CA THR A 2 -3.837 -11.964 -6.101 1.00 0.00 C ATOM 14 C THR A 2 -3.058 -11.207 -5.025 1.00 0.00 C ATOM 15 O THR A 2 -2.960 -11.664 -3.887 1.00 0.00 O ATOM 16 CB THR A 2 -3.642 -13.481 -6.040 1.00 0.00 C ATOM 17 OG1 THR A 2 -2.238 -13.642 -5.853 1.00 0.00 O ATOM 18 CG2 THR A 2 -3.920 -14.162 -7.381 1.00 0.00 C ATOM 0 H THR A 2 -4.213 -11.223 -8.025 1.00 0.00 H new ATOM 0 HA THR A 2 -4.888 -11.749 -5.908 1.00 0.00 H new ATOM 0 HB THR A 2 -4.298 -13.901 -5.278 1.00 0.00 H new ATOM 0 HG1 THR A 2 -1.794 -12.774 -5.947 1.00 0.00 H new ATOM 0 HG21 THR A 2 -3.767 -15.237 -7.282 1.00 0.00 H new ATOM 0 HG22 THR A 2 -4.950 -13.968 -7.681 1.00 0.00 H new ATOM 0 HG23 THR A 2 -3.242 -13.767 -8.137 1.00 0.00 H new ATOM 26 N ILE A 3 -2.523 -10.062 -5.422 1.00 0.00 N ATOM 27 CA ILE A 3 -1.755 -9.236 -4.505 1.00 0.00 C ATOM 28 C ILE A 3 -2.037 -7.761 -4.796 1.00 0.00 C ATOM 29 O ILE A 3 -2.342 -6.993 -3.885 1.00 0.00 O ATOM 30 CB ILE A 3 -0.271 -9.603 -4.570 1.00 0.00 C ATOM 31 CG1 ILE A 3 0.376 -9.515 -3.186 1.00 0.00 C ATOM 32 CG2 ILE A 3 0.462 -8.742 -5.600 1.00 0.00 C ATOM 33 CD1 ILE A 3 0.330 -8.083 -2.649 1.00 0.00 C ATOM 0 H ILE A 3 -2.606 -9.686 -6.367 1.00 0.00 H new ATOM 0 HA ILE A 3 -2.062 -9.422 -3.476 1.00 0.00 H new ATOM 0 HB ILE A 3 -0.189 -10.639 -4.899 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -0.140 -10.183 -2.496 1.00 0.00 H new ATOM 0 HG13 ILE A 3 1.411 -9.853 -3.242 1.00 0.00 H new ATOM 0 HG21 ILE A 3 1.515 -9.023 -5.626 1.00 0.00 H new ATOM 0 HG22 ILE A 3 0.020 -8.897 -6.584 1.00 0.00 H new ATOM 0 HG23 ILE A 3 0.374 -7.691 -5.325 1.00 0.00 H new ATOM 0 HD11 ILE A 3 0.796 -8.049 -1.664 1.00 0.00 H new ATOM 0 HD12 ILE A 3 0.868 -7.422 -3.329 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -0.707 -7.757 -2.571 1.00 0.00 H new ATOM 45 N GLU A 4 -1.926 -7.409 -6.068 1.00 0.00 N ATOM 46 CA GLU A 4 -2.166 -6.040 -6.490 1.00 0.00 C ATOM 47 C GLU A 4 -3.660 -5.719 -6.427 1.00 0.00 C ATOM 48 O GLU A 4 -4.045 -4.558 -6.292 1.00 0.00 O ATOM 49 CB GLU A 4 -1.611 -5.793 -7.894 1.00 0.00 C ATOM 50 CG GLU A 4 -2.550 -6.357 -8.962 1.00 0.00 C ATOM 51 CD GLU A 4 -3.612 -5.328 -9.356 1.00 0.00 C ATOM 52 OE1 GLU A 4 -3.301 -4.135 -9.488 1.00 0.00 O ATOM 53 OE2 GLU A 4 -4.798 -5.807 -9.528 1.00 0.00 O ATOM 0 H GLU A 4 -1.673 -8.049 -6.821 1.00 0.00 H new ATOM 0 HA GLU A 4 -1.642 -5.373 -5.806 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -1.475 -4.723 -8.052 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -0.629 -6.256 -7.987 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -1.975 -6.646 -9.841 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -3.034 -7.259 -8.587 1.00 0.00 H new ATOM 61 N GLU A 5 -4.463 -6.768 -6.528 1.00 0.00 N ATOM 62 CA GLU A 5 -5.907 -6.612 -6.485 1.00 0.00 C ATOM 63 C GLU A 5 -6.380 -6.453 -5.038 1.00 0.00 C ATOM 64 O GLU A 5 -7.418 -5.843 -4.785 1.00 0.00 O ATOM 65 CB GLU A 5 -6.607 -7.792 -7.164 1.00 0.00 C ATOM 66 CG GLU A 5 -5.992 -9.121 -6.722 1.00 0.00 C ATOM 67 CD GLU A 5 -6.961 -10.280 -6.964 1.00 0.00 C ATOM 68 OE1 GLU A 5 -7.860 -10.518 -6.143 1.00 0.00 O ATOM 69 OE2 GLU A 5 -6.756 -10.945 -8.050 1.00 0.00 O ATOM 0 H GLU A 5 -4.141 -7.729 -6.639 1.00 0.00 H new ATOM 0 HA GLU A 5 -6.172 -5.709 -7.035 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -7.669 -7.779 -6.919 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -6.528 -7.693 -8.247 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -5.065 -9.297 -7.268 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -5.734 -9.073 -5.664 1.00 0.00 H new ATOM 77 N ARG A 6 -5.597 -7.013 -4.128 1.00 0.00 N ATOM 78 CA ARG A 6 -5.923 -6.940 -2.714 1.00 0.00 C ATOM 79 C ARG A 6 -5.227 -5.740 -2.070 1.00 0.00 C ATOM 80 O ARG A 6 -5.827 -5.028 -1.265 1.00 0.00 O ATOM 81 CB ARG A 6 -5.500 -8.217 -1.985 1.00 0.00 C ATOM 82 CG ARG A 6 -6.332 -9.415 -2.450 1.00 0.00 C ATOM 83 CD ARG A 6 -5.445 -10.636 -2.698 1.00 0.00 C ATOM 84 NE ARG A 6 -4.620 -10.914 -1.501 1.00 0.00 N ATOM 85 CZ ARG A 6 -5.087 -11.506 -0.381 1.00 0.00 C ATOM 86 NH1 ARG A 6 -6.379 -11.888 -0.296 1.00 0.00 N ATOM 87 NH2 ARG A 6 -4.261 -11.706 0.629 1.00 0.00 N ATOM 0 H ARG A 6 -4.738 -7.519 -4.342 1.00 0.00 H new ATOM 0 HA ARG A 6 -7.004 -6.827 -2.628 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -4.443 -8.411 -2.167 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -5.619 -8.083 -0.910 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -7.084 -9.654 -1.698 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -6.867 -9.158 -3.364 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -6.063 -11.503 -2.933 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -4.802 -10.459 -3.560 1.00 0.00 H new ATOM 0 HE ARG A 6 -3.637 -10.641 -1.524 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -7.010 -11.730 -1.081 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -6.724 -12.335 0.554 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -3.286 -11.415 0.556 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -4.598 -12.152 1.482 1.00 0.00 H new ATOM 100 N VAL A 7 -3.971 -5.551 -2.448 1.00 0.00 N ATOM 101 CA VAL A 7 -3.187 -4.449 -1.917 1.00 0.00 C ATOM 102 C VAL A 7 -4.045 -3.182 -1.896 1.00 0.00 C ATOM 103 O VAL A 7 -4.122 -2.496 -0.878 1.00 0.00 O ATOM 104 CB VAL A 7 -1.899 -4.285 -2.726 1.00 0.00 C ATOM 105 CG1 VAL A 7 -1.331 -2.873 -2.573 1.00 0.00 C ATOM 106 CG2 VAL A 7 -0.864 -5.339 -2.327 1.00 0.00 C ATOM 0 H VAL A 7 -3.477 -6.143 -3.116 1.00 0.00 H new ATOM 0 HA VAL A 7 -2.886 -4.655 -0.890 1.00 0.00 H new ATOM 0 HB VAL A 7 -2.142 -4.435 -3.778 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -0.416 -2.784 -3.158 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -2.062 -2.146 -2.929 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -1.110 -2.681 -1.523 1.00 0.00 H new ATOM 0 HG21 VAL A 7 0.042 -5.201 -2.917 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -0.628 -5.234 -1.268 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -1.268 -6.334 -2.512 1.00 0.00 H new ATOM 116 N LYS A 8 -4.668 -2.909 -3.033 1.00 0.00 N ATOM 117 CA LYS A 8 -5.518 -1.737 -3.159 1.00 0.00 C ATOM 118 C LYS A 8 -6.372 -1.594 -1.897 1.00 0.00 C ATOM 119 O LYS A 8 -6.621 -0.482 -1.435 1.00 0.00 O ATOM 120 CB LYS A 8 -6.335 -1.803 -4.451 1.00 0.00 C ATOM 121 CG LYS A 8 -5.836 -0.774 -5.468 1.00 0.00 C ATOM 122 CD LYS A 8 -4.636 -1.312 -6.249 1.00 0.00 C ATOM 123 CE LYS A 8 -4.972 -1.467 -7.733 1.00 0.00 C ATOM 124 NZ LYS A 8 -5.720 -2.723 -7.967 1.00 0.00 N ATOM 0 H LYS A 8 -4.601 -3.480 -3.876 1.00 0.00 H new ATOM 0 HA LYS A 8 -4.913 -0.834 -3.239 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -6.267 -2.804 -4.878 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -7.387 -1.621 -4.230 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -6.640 -0.521 -6.159 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -5.557 0.145 -4.953 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -3.789 -0.635 -6.133 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -4.333 -2.275 -5.839 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -5.565 -0.616 -8.068 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -4.054 -1.468 -8.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -5.705 -2.952 -8.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -5.276 -3.496 -7.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -6.704 -2.604 -7.653 1.00 0.00 H new ATOM 137 N LYS A 9 -6.798 -2.736 -1.377 1.00 0.00 N ATOM 138 CA LYS A 9 -7.619 -2.752 -0.179 1.00 0.00 C ATOM 139 C LYS A 9 -6.784 -2.277 1.013 1.00 0.00 C ATOM 140 O LYS A 9 -7.185 -1.363 1.731 1.00 0.00 O ATOM 141 CB LYS A 9 -8.247 -4.133 0.022 1.00 0.00 C ATOM 142 CG LYS A 9 -9.743 -4.016 0.322 1.00 0.00 C ATOM 143 CD LYS A 9 -10.486 -5.287 -0.093 1.00 0.00 C ATOM 144 CE LYS A 9 -10.591 -6.268 1.076 1.00 0.00 C ATOM 145 NZ LYS A 9 -11.341 -7.478 0.672 1.00 0.00 N ATOM 0 H LYS A 9 -6.590 -3.657 -1.764 1.00 0.00 H new ATOM 0 HA LYS A 9 -8.454 -2.059 -0.281 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -8.098 -4.738 -0.872 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -7.747 -4.648 0.842 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -9.891 -3.835 1.387 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -10.158 -3.158 -0.208 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -11.484 -5.030 -0.447 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -9.965 -5.762 -0.925 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -9.593 -6.548 1.414 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -11.090 -5.788 1.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -11.403 -8.133 1.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -12.299 -7.208 0.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -10.849 -7.944 -0.117 1.00 0.00 H new ATOM 158 N ILE A 10 -5.639 -2.920 1.186 1.00 0.00 N ATOM 159 CA ILE A 10 -4.744 -2.575 2.277 1.00 0.00 C ATOM 160 C ILE A 10 -4.536 -1.059 2.301 1.00 0.00 C ATOM 161 O ILE A 10 -4.200 -0.492 3.339 1.00 0.00 O ATOM 162 CB ILE A 10 -3.442 -3.373 2.176 1.00 0.00 C ATOM 163 CG1 ILE A 10 -3.684 -4.856 2.465 1.00 0.00 C ATOM 164 CG2 ILE A 10 -2.364 -2.780 3.085 1.00 0.00 C ATOM 165 CD1 ILE A 10 -2.605 -5.724 1.814 1.00 0.00 C ATOM 0 H ILE A 10 -5.310 -3.679 0.589 1.00 0.00 H new ATOM 0 HA ILE A 10 -5.187 -2.852 3.234 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.075 -3.301 1.152 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -3.690 -5.024 3.542 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -4.665 -5.148 2.091 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -1.449 -3.366 2.994 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -2.166 -1.749 2.790 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -2.708 -2.802 4.119 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -2.800 -6.773 2.035 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -2.618 -5.572 0.735 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -1.628 -5.446 2.208 1.00 0.00 H new ATOM 177 N ILE A 11 -4.745 -0.448 1.145 1.00 0.00 N ATOM 178 CA ILE A 11 -4.584 0.991 1.020 1.00 0.00 C ATOM 179 C ILE A 11 -5.960 1.659 1.070 1.00 0.00 C ATOM 180 O ILE A 11 -6.079 2.812 1.484 1.00 0.00 O ATOM 181 CB ILE A 11 -3.780 1.334 -0.236 1.00 0.00 C ATOM 182 CG1 ILE A 11 -2.626 0.348 -0.434 1.00 0.00 C ATOM 183 CG2 ILE A 11 -3.295 2.784 -0.198 1.00 0.00 C ATOM 184 CD1 ILE A 11 -1.594 0.480 0.689 1.00 0.00 C ATOM 0 H ILE A 11 -5.024 -0.922 0.286 1.00 0.00 H new ATOM 0 HA ILE A 11 -4.007 1.384 1.857 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.438 1.238 -1.100 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -3.013 -0.671 -0.459 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -2.147 0.531 -1.396 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -2.726 3.001 -1.102 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -4.153 3.453 -0.139 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -2.659 2.932 0.675 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -0.785 -0.231 0.525 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.191 1.493 0.696 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -2.070 0.273 1.647 1.00 0.00 H new ATOM 196 N GLY A 12 -6.964 0.907 0.643 1.00 0.00 N ATOM 197 CA GLY A 12 -8.326 1.413 0.634 1.00 0.00 C ATOM 198 C GLY A 12 -9.086 0.963 1.884 1.00 0.00 C ATOM 199 O GLY A 12 -10.313 1.027 1.925 1.00 0.00 O ATOM 0 H GLY A 12 -6.861 -0.048 0.301 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -8.313 2.502 0.584 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -8.843 1.059 -0.258 1.00 0.00 H new ATOM 203 N GLN A 13 -8.324 0.517 2.872 1.00 0.00 N ATOM 204 CA GLN A 13 -8.910 0.057 4.119 1.00 0.00 C ATOM 205 C GLN A 13 -8.130 0.616 5.310 1.00 0.00 C ATOM 206 O GLN A 13 -8.723 1.104 6.271 1.00 0.00 O ATOM 207 CB GLN A 13 -8.964 -1.472 4.168 1.00 0.00 C ATOM 208 CG GLN A 13 -10.246 -1.996 3.518 1.00 0.00 C ATOM 209 CD GLN A 13 -11.481 -1.551 4.303 1.00 0.00 C ATOM 210 OE1 GLN A 13 -11.394 -0.893 5.327 1.00 0.00 O ATOM 211 NE2 GLN A 13 -12.633 -1.944 3.768 1.00 0.00 N ATOM 0 H GLN A 13 -7.306 0.465 2.834 1.00 0.00 H new ATOM 0 HA GLN A 13 -9.934 0.426 4.175 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -8.096 -1.887 3.655 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -8.913 -1.808 5.204 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -10.312 -1.633 2.492 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -10.214 -3.084 3.469 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -12.635 -2.493 2.908 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -13.515 -1.696 4.217 1.00 0.00 H new ATOM 220 N GLN A 14 -6.812 0.527 5.209 1.00 0.00 N ATOM 221 CA GLN A 14 -5.945 1.018 6.266 1.00 0.00 C ATOM 222 C GLN A 14 -5.880 2.547 6.232 1.00 0.00 C ATOM 223 O GLN A 14 -6.342 3.212 7.158 1.00 0.00 O ATOM 224 CB GLN A 14 -4.546 0.408 6.156 1.00 0.00 C ATOM 225 CG GLN A 14 -4.039 -0.051 7.524 1.00 0.00 C ATOM 226 CD GLN A 14 -4.512 0.895 8.630 1.00 0.00 C ATOM 227 OE1 GLN A 14 -4.226 2.174 8.405 1.00 0.00 O flip ATOM 228 NE2 GLN A 14 -5.097 0.490 9.621 1.00 0.00 N flip ATOM 0 H GLN A 14 -6.323 0.122 4.411 1.00 0.00 H new ATOM 0 HA GLN A 14 -6.365 0.712 7.224 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -4.567 -0.438 5.469 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -3.858 1.142 5.736 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -4.395 -1.061 7.728 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -2.950 -0.092 7.517 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -5.285 -0.507 9.731 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -5.398 1.148 10.340 1.00 0.00 H new ATOM 237 N LEU A 15 -5.303 3.059 5.155 1.00 0.00 N ATOM 238 CA LEU A 15 -5.171 4.496 4.988 1.00 0.00 C ATOM 239 C LEU A 15 -6.517 5.164 5.279 1.00 0.00 C ATOM 240 O LEU A 15 -6.644 5.918 6.243 1.00 0.00 O ATOM 241 CB LEU A 15 -4.608 4.826 3.604 1.00 0.00 C ATOM 242 CG LEU A 15 -3.320 4.098 3.214 1.00 0.00 C ATOM 243 CD1 LEU A 15 -2.445 4.975 2.315 1.00 0.00 C ATOM 244 CD2 LEU A 15 -2.565 3.617 4.454 1.00 0.00 C ATOM 0 H LEU A 15 -4.921 2.504 4.389 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.453 4.898 5.703 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -5.371 4.598 2.859 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -4.425 5.899 3.554 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.589 3.213 2.637 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.536 4.434 2.052 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.993 5.226 1.407 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.182 5.891 2.845 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.654 3.103 4.148 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.307 4.473 5.078 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.195 2.932 5.021 1.00 0.00 H new ATOM 256 N GLY A 16 -7.487 4.863 4.429 1.00 0.00 N ATOM 257 CA GLY A 16 -8.818 5.424 4.582 1.00 0.00 C ATOM 258 C GLY A 16 -9.303 6.052 3.274 1.00 0.00 C ATOM 259 O GLY A 16 -9.283 7.272 3.121 1.00 0.00 O ATOM 0 H GLY A 16 -7.378 4.237 3.631 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -9.512 4.643 4.894 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -8.811 6.177 5.370 1.00 0.00 H new ATOM 263 N VAL A 17 -9.728 5.188 2.363 1.00 0.00 N ATOM 264 CA VAL A 17 -10.218 5.643 1.072 1.00 0.00 C ATOM 265 C VAL A 17 -11.128 4.570 0.471 1.00 0.00 C ATOM 266 O VAL A 17 -11.065 3.406 0.864 1.00 0.00 O ATOM 267 CB VAL A 17 -9.041 6.006 0.165 1.00 0.00 C ATOM 268 CG1 VAL A 17 -8.332 7.267 0.664 1.00 0.00 C ATOM 269 CG2 VAL A 17 -8.060 4.837 0.044 1.00 0.00 C ATOM 0 H VAL A 17 -9.743 4.176 2.493 1.00 0.00 H new ATOM 0 HA VAL A 17 -10.814 6.548 1.186 1.00 0.00 H new ATOM 0 HB VAL A 17 -9.437 6.215 -0.829 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -7.499 7.503 0.001 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -9.035 8.100 0.674 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -7.956 7.098 1.673 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -7.233 5.122 -0.606 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -7.674 4.582 1.031 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -8.573 3.974 -0.379 1.00 0.00 H new ATOM 279 N LYS A 18 -11.952 5.000 -0.473 1.00 0.00 N ATOM 280 CA LYS A 18 -12.874 4.091 -1.133 1.00 0.00 C ATOM 281 C LYS A 18 -12.080 3.081 -1.964 1.00 0.00 C ATOM 282 O LYS A 18 -10.854 3.154 -2.030 1.00 0.00 O ATOM 283 CB LYS A 18 -13.911 4.874 -1.941 1.00 0.00 C ATOM 284 CG LYS A 18 -14.896 5.595 -1.019 1.00 0.00 C ATOM 285 CD LYS A 18 -14.328 6.936 -0.551 1.00 0.00 C ATOM 286 CE LYS A 18 -15.429 7.993 -0.452 1.00 0.00 C ATOM 287 NZ LYS A 18 -15.081 9.011 0.565 1.00 0.00 N ATOM 0 H LYS A 18 -12.001 5.966 -0.797 1.00 0.00 H new ATOM 0 HA LYS A 18 -13.442 3.522 -0.397 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -13.407 5.600 -2.579 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -14.454 4.194 -2.598 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -15.838 5.758 -1.543 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -15.117 4.968 -0.155 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -13.849 6.813 0.420 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -13.558 7.271 -1.246 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -15.570 8.472 -1.421 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -16.375 7.518 -0.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -15.839 9.721 0.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -14.969 8.552 1.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -14.190 9.476 0.300 1.00 0.00 H new ATOM 300 N GLN A 19 -12.812 2.163 -2.577 1.00 0.00 N ATOM 301 CA GLN A 19 -12.192 1.139 -3.401 1.00 0.00 C ATOM 302 C GLN A 19 -12.036 1.638 -4.839 1.00 0.00 C ATOM 303 O GLN A 19 -11.018 1.383 -5.481 1.00 0.00 O ATOM 304 CB GLN A 19 -12.995 -0.162 -3.356 1.00 0.00 C ATOM 305 CG GLN A 19 -12.220 -1.260 -2.625 1.00 0.00 C ATOM 306 CD GLN A 19 -12.292 -1.065 -1.109 1.00 0.00 C ATOM 307 OE1 GLN A 19 -13.341 -1.165 -0.494 1.00 0.00 O ATOM 308 NE2 GLN A 19 -11.122 -0.782 -0.543 1.00 0.00 N ATOM 0 H GLN A 19 -13.829 2.107 -2.520 1.00 0.00 H new ATOM 0 HA GLN A 19 -11.200 0.929 -3.000 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -13.947 0.011 -2.855 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -13.224 -0.488 -4.371 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -12.628 -2.236 -2.890 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -11.179 -1.252 -2.947 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -10.281 -0.713 -1.117 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -11.065 -0.634 0.465 1.00 0.00 H new ATOM 317 N GLU A 20 -13.059 2.341 -5.302 1.00 0.00 N ATOM 318 CA GLU A 20 -13.049 2.877 -6.652 1.00 0.00 C ATOM 319 C GLU A 20 -12.032 4.016 -6.763 1.00 0.00 C ATOM 320 O GLU A 20 -11.297 4.103 -7.746 1.00 0.00 O ATOM 321 CB GLU A 20 -14.445 3.347 -7.067 1.00 0.00 C ATOM 322 CG GLU A 20 -14.766 2.915 -8.499 1.00 0.00 C ATOM 323 CD GLU A 20 -15.639 3.956 -9.203 1.00 0.00 C ATOM 324 OE1 GLU A 20 -16.721 4.298 -8.703 1.00 0.00 O ATOM 325 OE2 GLU A 20 -15.157 4.414 -10.308 1.00 0.00 O ATOM 0 H GLU A 20 -13.901 2.552 -4.766 1.00 0.00 H new ATOM 0 HA GLU A 20 -12.752 2.081 -7.335 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -15.189 2.936 -6.384 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -14.505 4.433 -6.989 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -13.840 2.775 -9.057 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -15.279 1.953 -8.486 1.00 0.00 H new ATOM 333 N GLU A 21 -12.022 4.859 -5.741 1.00 0.00 N ATOM 334 CA GLU A 21 -11.108 5.988 -5.712 1.00 0.00 C ATOM 335 C GLU A 21 -9.659 5.497 -5.688 1.00 0.00 C ATOM 336 O GLU A 21 -8.796 6.068 -6.353 1.00 0.00 O ATOM 337 CB GLU A 21 -11.399 6.897 -4.516 1.00 0.00 C ATOM 338 CG GLU A 21 -12.320 8.051 -4.916 1.00 0.00 C ATOM 339 CD GLU A 21 -11.652 9.403 -4.654 1.00 0.00 C ATOM 340 OE1 GLU A 21 -11.539 9.824 -3.493 1.00 0.00 O ATOM 341 OE2 GLU A 21 -11.242 10.021 -5.709 1.00 0.00 O ATOM 0 H GLU A 21 -12.632 4.783 -4.927 1.00 0.00 H new ATOM 0 HA GLU A 21 -11.257 6.575 -6.618 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -11.863 6.317 -3.718 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.464 7.294 -4.120 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -12.576 7.967 -5.972 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -13.253 7.988 -4.355 1.00 0.00 H new ATOM 349 N VAL A 22 -9.437 4.444 -4.915 1.00 0.00 N ATOM 350 CA VAL A 22 -8.108 3.870 -4.796 1.00 0.00 C ATOM 351 C VAL A 22 -7.835 2.972 -6.004 1.00 0.00 C ATOM 352 O VAL A 22 -8.652 2.118 -6.345 1.00 0.00 O ATOM 353 CB VAL A 22 -7.973 3.134 -3.461 1.00 0.00 C ATOM 354 CG1 VAL A 22 -8.395 1.670 -3.598 1.00 0.00 C ATOM 355 CG2 VAL A 22 -6.548 3.246 -2.915 1.00 0.00 C ATOM 0 H VAL A 22 -10.156 3.973 -4.365 1.00 0.00 H new ATOM 0 HA VAL A 22 -7.352 4.655 -4.797 1.00 0.00 H new ATOM 0 HB VAL A 22 -8.644 3.610 -2.746 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -8.290 1.169 -2.636 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -9.435 1.620 -3.921 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -7.762 1.176 -4.335 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -6.479 2.715 -1.966 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -5.850 2.807 -3.628 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -6.299 4.296 -2.762 1.00 0.00 H new ATOM 365 N THR A 23 -6.683 3.195 -6.619 1.00 0.00 N ATOM 366 CA THR A 23 -6.292 2.417 -7.782 1.00 0.00 C ATOM 367 C THR A 23 -4.821 2.007 -7.679 1.00 0.00 C ATOM 368 O THR A 23 -4.341 1.669 -6.598 1.00 0.00 O ATOM 369 CB THR A 23 -6.607 3.242 -9.031 1.00 0.00 C ATOM 370 OG1 THR A 23 -5.596 4.246 -9.048 1.00 0.00 O ATOM 371 CG2 THR A 23 -7.912 4.030 -8.899 1.00 0.00 C ATOM 0 H THR A 23 -6.007 3.904 -6.334 1.00 0.00 H new ATOM 0 HA THR A 23 -6.854 1.485 -7.841 1.00 0.00 H new ATOM 0 HB THR A 23 -6.668 2.582 -9.896 1.00 0.00 H new ATOM 0 HG1 THR A 23 -5.173 4.269 -9.932 1.00 0.00 H new ATOM 0 HG21 THR A 23 -8.088 4.598 -9.813 1.00 0.00 H new ATOM 0 HG22 THR A 23 -8.739 3.339 -8.736 1.00 0.00 H new ATOM 0 HG23 THR A 23 -7.840 4.715 -8.054 1.00 0.00 H new ATOM 379 N ASN A 24 -4.148 2.050 -8.819 1.00 0.00 N ATOM 380 CA ASN A 24 -2.742 1.687 -8.872 1.00 0.00 C ATOM 381 C ASN A 24 -1.895 2.957 -8.975 1.00 0.00 C ATOM 382 O ASN A 24 -0.894 3.099 -8.274 1.00 0.00 O ATOM 383 CB ASN A 24 -2.442 0.818 -10.095 1.00 0.00 C ATOM 384 CG ASN A 24 -3.067 1.414 -11.357 1.00 0.00 C ATOM 385 OD1 ASN A 24 -2.625 2.422 -11.884 1.00 0.00 O ATOM 386 ND2 ASN A 24 -4.119 0.738 -11.811 1.00 0.00 N ATOM 0 H ASN A 24 -4.550 2.331 -9.713 1.00 0.00 H new ATOM 0 HA ASN A 24 -2.504 1.129 -7.967 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -1.364 0.728 -10.226 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -2.828 -0.189 -9.934 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -4.607 1.056 -12.648 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -4.437 -0.099 -11.322 1.00 0.00 H new ATOM 393 N ASN A 25 -2.327 3.848 -9.855 1.00 0.00 N ATOM 394 CA ASN A 25 -1.621 5.101 -10.059 1.00 0.00 C ATOM 395 C ASN A 25 -2.341 6.217 -9.299 1.00 0.00 C ATOM 396 O ASN A 25 -2.551 7.303 -9.836 1.00 0.00 O ATOM 397 CB ASN A 25 -1.592 5.482 -11.541 1.00 0.00 C ATOM 398 CG ASN A 25 -3.008 5.559 -12.116 1.00 0.00 C ATOM 399 OD1 ASN A 25 -3.895 4.804 -11.753 1.00 0.00 O ATOM 400 ND2 ASN A 25 -3.169 6.510 -13.031 1.00 0.00 N ATOM 0 H ASN A 25 -3.157 3.727 -10.435 1.00 0.00 H new ATOM 0 HA ASN A 25 -0.600 4.975 -9.698 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -1.093 6.444 -11.663 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -1.009 4.748 -12.097 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -4.078 6.642 -13.475 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -2.384 7.108 -13.289 1.00 0.00 H new ATOM 407 N ALA A 26 -2.700 5.909 -8.061 1.00 0.00 N ATOM 408 CA ALA A 26 -3.392 6.873 -7.222 1.00 0.00 C ATOM 409 C ALA A 26 -2.527 7.193 -6.001 1.00 0.00 C ATOM 410 O ALA A 26 -2.345 6.348 -5.126 1.00 0.00 O ATOM 411 CB ALA A 26 -4.765 6.319 -6.835 1.00 0.00 C ATOM 0 H ALA A 26 -2.525 5.006 -7.619 1.00 0.00 H new ATOM 0 HA ALA A 26 -3.557 7.805 -7.763 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -5.285 7.041 -6.206 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.350 6.135 -7.736 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -4.639 5.385 -6.287 1.00 0.00 H new ATOM 417 N SER A 27 -2.017 8.416 -5.981 1.00 0.00 N ATOM 418 CA SER A 27 -1.176 8.858 -4.882 1.00 0.00 C ATOM 419 C SER A 27 -2.043 9.397 -3.743 1.00 0.00 C ATOM 420 O SER A 27 -2.213 10.608 -3.607 1.00 0.00 O ATOM 421 CB SER A 27 -0.183 9.926 -5.344 1.00 0.00 C ATOM 422 OG SER A 27 0.396 9.606 -6.606 1.00 0.00 O ATOM 0 H SER A 27 -2.170 9.114 -6.708 1.00 0.00 H new ATOM 0 HA SER A 27 -0.606 8.002 -4.522 1.00 0.00 H new ATOM 0 HB2 SER A 27 -0.691 10.888 -5.412 1.00 0.00 H new ATOM 0 HB3 SER A 27 0.606 10.034 -4.600 1.00 0.00 H new ATOM 0 HG SER A 27 1.023 10.313 -6.867 1.00 0.00 H new ATOM 428 N PHE A 28 -2.570 8.472 -2.954 1.00 0.00 N ATOM 429 CA PHE A 28 -3.416 8.839 -1.831 1.00 0.00 C ATOM 430 C PHE A 28 -2.903 10.110 -1.151 1.00 0.00 C ATOM 431 O PHE A 28 -3.692 10.949 -0.718 1.00 0.00 O ATOM 432 CB PHE A 28 -3.361 7.682 -0.832 1.00 0.00 C ATOM 433 CG PHE A 28 -1.991 7.007 -0.736 1.00 0.00 C ATOM 434 CD1 PHE A 28 -0.987 7.603 -0.038 1.00 0.00 C ATOM 435 CD2 PHE A 28 -1.777 5.813 -1.350 1.00 0.00 C ATOM 436 CE1 PHE A 28 0.284 6.977 0.051 1.00 0.00 C ATOM 437 CE2 PHE A 28 -0.505 5.187 -1.261 1.00 0.00 C ATOM 438 CZ PHE A 28 0.498 5.782 -0.562 1.00 0.00 C ATOM 0 H PHE A 28 -2.427 7.469 -3.070 1.00 0.00 H new ATOM 0 HA PHE A 28 -4.432 9.029 -2.177 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -3.642 8.053 0.154 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -4.103 6.936 -1.115 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -1.157 8.552 0.448 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -2.574 5.341 -1.905 1.00 0.00 H new ATOM 0 HE1 PHE A 28 1.081 7.450 0.606 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -0.335 4.238 -1.749 1.00 0.00 H new ATOM 0 HZ PHE A 28 1.465 5.306 -0.494 1.00 0.00 H new ATOM 448 N VAL A 29 -1.584 10.212 -1.077 1.00 0.00 N ATOM 449 CA VAL A 29 -0.956 11.366 -0.456 1.00 0.00 C ATOM 450 C VAL A 29 -1.727 12.630 -0.842 1.00 0.00 C ATOM 451 O VAL A 29 -2.620 13.062 -0.115 1.00 0.00 O ATOM 452 CB VAL A 29 0.523 11.427 -0.842 1.00 0.00 C ATOM 453 CG1 VAL A 29 1.384 10.654 0.160 1.00 0.00 C ATOM 454 CG2 VAL A 29 0.741 10.910 -2.265 1.00 0.00 C ATOM 0 H VAL A 29 -0.933 9.514 -1.437 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.992 11.282 0.630 1.00 0.00 H new ATOM 0 HB VAL A 29 0.833 12.472 -0.814 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.431 10.713 -0.138 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.264 11.087 1.153 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.071 9.610 0.179 1.00 0.00 H new ATOM 0 HG21 VAL A 29 1.801 10.965 -2.514 1.00 0.00 H new ATOM 0 HG22 VAL A 29 0.405 9.875 -2.331 1.00 0.00 H new ATOM 0 HG23 VAL A 29 0.172 11.522 -2.965 1.00 0.00 H new ATOM 464 N GLU A 30 -1.354 13.186 -1.985 1.00 0.00 N ATOM 465 CA GLU A 30 -2.000 14.392 -2.476 1.00 0.00 C ATOM 466 C GLU A 30 -3.438 14.088 -2.900 1.00 0.00 C ATOM 467 O GLU A 30 -4.383 14.657 -2.355 1.00 0.00 O ATOM 468 CB GLU A 30 -1.206 15.007 -3.630 1.00 0.00 C ATOM 469 CG GLU A 30 -1.895 16.267 -4.159 1.00 0.00 C ATOM 470 CD GLU A 30 -2.797 15.940 -5.351 1.00 0.00 C ATOM 471 OE1 GLU A 30 -2.397 15.171 -6.238 1.00 0.00 O ATOM 472 OE2 GLU A 30 -3.951 16.515 -5.335 1.00 0.00 O ATOM 0 H GLU A 30 -0.613 12.824 -2.585 1.00 0.00 H new ATOM 0 HA GLU A 30 -2.027 15.122 -1.667 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -0.199 15.253 -3.293 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -1.104 14.279 -4.435 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -2.487 16.723 -3.365 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -1.144 16.999 -4.457 1.00 0.00 H new ATOM 480 N ASP A 31 -3.559 13.193 -3.869 1.00 0.00 N ATOM 481 CA ASP A 31 -4.867 12.807 -4.372 1.00 0.00 C ATOM 482 C ASP A 31 -5.855 12.732 -3.207 1.00 0.00 C ATOM 483 O ASP A 31 -6.818 13.495 -3.155 1.00 0.00 O ATOM 484 CB ASP A 31 -4.816 11.431 -5.039 1.00 0.00 C ATOM 485 CG ASP A 31 -4.204 11.414 -6.441 1.00 0.00 C ATOM 486 OD1 ASP A 31 -4.907 11.588 -7.448 1.00 0.00 O ATOM 487 OD2 ASP A 31 -2.930 11.209 -6.477 1.00 0.00 O ATOM 0 H ASP A 31 -2.773 12.724 -4.319 1.00 0.00 H new ATOM 0 HA ASP A 31 -5.180 13.551 -5.104 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -4.245 10.756 -4.402 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -5.830 11.034 -5.097 1.00 0.00 H new ATOM 493 N LEU A 32 -5.583 11.804 -2.301 1.00 0.00 N ATOM 494 CA LEU A 32 -6.436 11.619 -1.139 1.00 0.00 C ATOM 495 C LEU A 32 -5.844 12.380 0.049 1.00 0.00 C ATOM 496 O LEU A 32 -5.813 13.609 0.051 1.00 0.00 O ATOM 497 CB LEU A 32 -6.656 10.130 -0.868 1.00 0.00 C ATOM 498 CG LEU A 32 -7.379 9.348 -1.967 1.00 0.00 C ATOM 499 CD1 LEU A 32 -6.657 8.033 -2.269 1.00 0.00 C ATOM 500 CD2 LEU A 32 -8.849 9.125 -1.606 1.00 0.00 C ATOM 0 H LEU A 32 -4.784 11.172 -2.348 1.00 0.00 H new ATOM 0 HA LEU A 32 -7.426 12.035 -1.323 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.685 9.665 -0.697 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.225 10.029 0.056 1.00 0.00 H new ATOM 0 HG LEU A 32 -7.359 9.944 -2.880 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -7.191 7.496 -3.053 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.641 8.244 -2.601 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.624 7.421 -1.368 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -9.339 8.567 -2.404 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -8.914 8.560 -0.676 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -9.343 10.088 -1.481 1.00 0.00 H new ATOM 512 N GLY A 33 -5.390 11.616 1.032 1.00 0.00 N ATOM 513 CA GLY A 33 -4.801 12.203 2.224 1.00 0.00 C ATOM 514 C GLY A 33 -4.294 11.117 3.176 1.00 0.00 C ATOM 515 O GLY A 33 -5.036 10.645 4.036 1.00 0.00 O ATOM 0 H GLY A 33 -5.418 10.596 1.028 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -3.977 12.858 1.942 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -5.540 12.822 2.733 1.00 0.00 H new ATOM 519 N ALA A 34 -3.034 10.754 2.990 1.00 0.00 N ATOM 520 CA ALA A 34 -2.419 9.733 3.822 1.00 0.00 C ATOM 521 C ALA A 34 -1.421 10.391 4.776 1.00 0.00 C ATOM 522 O ALA A 34 -0.221 10.134 4.699 1.00 0.00 O ATOM 523 CB ALA A 34 -1.764 8.675 2.931 1.00 0.00 C ATOM 0 H ALA A 34 -2.422 11.148 2.276 1.00 0.00 H new ATOM 0 HA ALA A 34 -3.171 9.228 4.429 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -1.303 7.909 3.555 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -2.520 8.217 2.294 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -1.002 9.144 2.309 1.00 0.00 H new ATOM 529 N ASP A 35 -1.954 11.229 5.654 1.00 0.00 N ATOM 530 CA ASP A 35 -1.125 11.926 6.622 1.00 0.00 C ATOM 531 C ASP A 35 -1.359 11.329 8.011 1.00 0.00 C ATOM 532 O ASP A 35 -1.078 11.971 9.022 1.00 0.00 O ATOM 533 CB ASP A 35 -1.480 13.413 6.681 1.00 0.00 C ATOM 534 CG ASP A 35 -2.887 13.762 6.192 1.00 0.00 C ATOM 535 OD1 ASP A 35 -3.118 13.946 4.988 1.00 0.00 O ATOM 536 OD2 ASP A 35 -3.780 13.846 7.119 1.00 0.00 O ATOM 0 H ASP A 35 -2.950 11.441 5.715 1.00 0.00 H new ATOM 0 HA ASP A 35 -0.084 11.815 6.317 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -1.374 13.756 7.710 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -0.756 13.968 6.084 1.00 0.00 H new ATOM 542 N SER A 36 -1.871 10.107 8.016 1.00 0.00 N ATOM 543 CA SER A 36 -2.146 9.416 9.265 1.00 0.00 C ATOM 544 C SER A 36 -2.390 7.930 8.998 1.00 0.00 C ATOM 545 O SER A 36 -3.410 7.558 8.420 1.00 0.00 O ATOM 546 CB SER A 36 -3.351 10.031 9.981 1.00 0.00 C ATOM 547 OG SER A 36 -3.189 10.027 11.397 1.00 0.00 O ATOM 0 H SER A 36 -2.103 9.578 7.176 1.00 0.00 H new ATOM 0 HA SER A 36 -1.277 9.524 9.914 1.00 0.00 H new ATOM 0 HB2 SER A 36 -3.495 11.055 9.635 1.00 0.00 H new ATOM 0 HB3 SER A 36 -4.251 9.476 9.717 1.00 0.00 H new ATOM 0 HG SER A 36 -3.978 10.429 11.818 1.00 0.00 H new ATOM 553 N LEU A 37 -1.435 7.119 9.431 1.00 0.00 N ATOM 554 CA LEU A 37 -1.533 5.681 9.246 1.00 0.00 C ATOM 555 C LEU A 37 -1.285 5.343 7.775 1.00 0.00 C ATOM 556 O LEU A 37 -1.807 4.353 7.265 1.00 0.00 O ATOM 557 CB LEU A 37 -2.870 5.162 9.779 1.00 0.00 C ATOM 558 CG LEU A 37 -3.385 5.825 11.059 1.00 0.00 C ATOM 559 CD1 LEU A 37 -4.860 6.207 10.923 1.00 0.00 C ATOM 560 CD2 LEU A 37 -3.133 4.934 12.277 1.00 0.00 C ATOM 0 H LEU A 37 -0.590 7.431 9.909 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.765 5.169 9.826 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.622 5.288 9.000 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.775 4.091 9.961 1.00 0.00 H new ATOM 0 HG LEU A 37 -2.827 6.748 11.215 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.201 6.676 11.846 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.980 6.906 10.095 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.451 5.312 10.731 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.508 5.428 13.173 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.648 3.983 12.145 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -2.063 4.756 12.382 1.00 0.00 H new ATOM 572 N ASP A 38 -0.486 6.184 7.134 1.00 0.00 N ATOM 573 CA ASP A 38 -0.162 5.986 5.732 1.00 0.00 C ATOM 574 C ASP A 38 0.905 4.896 5.608 1.00 0.00 C ATOM 575 O ASP A 38 0.585 3.709 5.593 1.00 0.00 O ATOM 576 CB ASP A 38 0.397 7.267 5.109 1.00 0.00 C ATOM 577 CG ASP A 38 1.090 7.081 3.758 1.00 0.00 C ATOM 578 OD1 ASP A 38 0.872 6.079 3.061 1.00 0.00 O ATOM 579 OD2 ASP A 38 1.895 8.032 3.423 1.00 0.00 O ATOM 0 H ASP A 38 -0.054 7.004 7.560 1.00 0.00 H new ATOM 0 HA ASP A 38 -1.077 5.701 5.212 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -0.419 7.979 4.987 1.00 0.00 H new ATOM 0 HB3 ASP A 38 1.107 7.712 5.806 1.00 0.00 H new ATOM 585 N THR A 39 2.151 5.340 5.523 1.00 0.00 N ATOM 586 CA THR A 39 3.267 4.417 5.401 1.00 0.00 C ATOM 587 C THR A 39 3.324 3.486 6.614 1.00 0.00 C ATOM 588 O THR A 39 3.573 2.290 6.473 1.00 0.00 O ATOM 589 CB THR A 39 4.541 5.240 5.206 1.00 0.00 C ATOM 590 OG1 THR A 39 5.593 4.332 5.523 1.00 0.00 O ATOM 591 CG2 THR A 39 4.685 6.353 6.245 1.00 0.00 C ATOM 0 H THR A 39 2.412 6.326 5.536 1.00 0.00 H new ATOM 0 HA THR A 39 3.149 3.765 4.536 1.00 0.00 H new ATOM 0 HB THR A 39 4.542 5.675 4.206 1.00 0.00 H new ATOM 0 HG1 THR A 39 6.457 4.784 5.421 1.00 0.00 H new ATOM 0 HG21 THR A 39 5.606 6.906 6.060 1.00 0.00 H new ATOM 0 HG22 THR A 39 3.834 7.031 6.173 1.00 0.00 H new ATOM 0 HG23 THR A 39 4.718 5.917 7.243 1.00 0.00 H new ATOM 599 N VAL A 40 3.090 4.071 7.780 1.00 0.00 N ATOM 600 CA VAL A 40 3.112 3.310 9.017 1.00 0.00 C ATOM 601 C VAL A 40 2.182 2.102 8.884 1.00 0.00 C ATOM 602 O VAL A 40 2.607 1.031 8.452 1.00 0.00 O ATOM 603 CB VAL A 40 2.750 4.215 10.196 1.00 0.00 C ATOM 604 CG1 VAL A 40 2.515 3.395 11.466 1.00 0.00 C ATOM 605 CG2 VAL A 40 3.826 5.279 10.421 1.00 0.00 C ATOM 0 H VAL A 40 2.884 5.064 7.894 1.00 0.00 H new ATOM 0 HA VAL A 40 4.115 2.930 9.213 1.00 0.00 H new ATOM 0 HB VAL A 40 1.819 4.727 9.952 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.259 4.063 12.288 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.697 2.694 11.300 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.421 2.843 11.715 1.00 0.00 H new ATOM 0 HG21 VAL A 40 3.544 5.909 11.265 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.779 4.794 10.633 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.923 5.893 9.526 1.00 0.00 H new ATOM 615 N GLU A 41 0.930 2.314 9.263 1.00 0.00 N ATOM 616 CA GLU A 41 -0.063 1.256 9.191 1.00 0.00 C ATOM 617 C GLU A 41 0.142 0.420 7.926 1.00 0.00 C ATOM 618 O GLU A 41 0.135 -0.809 7.982 1.00 0.00 O ATOM 619 CB GLU A 41 -1.480 1.829 9.246 1.00 0.00 C ATOM 620 CG GLU A 41 -2.131 1.556 10.603 1.00 0.00 C ATOM 621 CD GLU A 41 -2.747 0.156 10.644 1.00 0.00 C ATOM 622 OE1 GLU A 41 -3.475 -0.174 11.592 1.00 0.00 O ATOM 623 OE2 GLU A 41 -2.446 -0.601 9.643 1.00 0.00 O ATOM 0 H GLU A 41 0.581 3.203 9.621 1.00 0.00 H new ATOM 0 HA GLU A 41 0.064 0.606 10.057 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.449 2.903 9.063 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.085 1.388 8.454 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.387 1.653 11.393 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.902 2.302 10.797 1.00 0.00 H new ATOM 631 N LEU A 42 0.320 1.120 6.816 1.00 0.00 N ATOM 632 CA LEU A 42 0.527 0.458 5.539 1.00 0.00 C ATOM 633 C LEU A 42 1.376 -0.797 5.751 1.00 0.00 C ATOM 634 O LEU A 42 1.145 -1.823 5.113 1.00 0.00 O ATOM 635 CB LEU A 42 1.116 1.434 4.518 1.00 0.00 C ATOM 636 CG LEU A 42 1.773 0.803 3.289 1.00 0.00 C ATOM 637 CD1 LEU A 42 2.942 -0.097 3.692 1.00 0.00 C ATOM 638 CD2 LEU A 42 0.742 0.058 2.439 1.00 0.00 C ATOM 0 H LEU A 42 0.325 2.139 6.774 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.425 0.132 5.121 1.00 0.00 H new ATOM 0 HB2 LEU A 42 0.321 2.098 4.180 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.856 2.054 5.023 1.00 0.00 H new ATOM 0 HG LEU A 42 2.182 1.603 2.672 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.391 -0.532 2.799 1.00 0.00 H new ATOM 0 HD12 LEU A 42 3.689 0.493 4.223 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.580 -0.894 4.342 1.00 0.00 H new ATOM 0 HD21 LEU A 42 1.235 -0.381 1.572 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.282 -0.731 3.034 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.027 0.755 2.105 1.00 0.00 H new ATOM 650 N VAL A 43 2.342 -0.673 6.650 1.00 0.00 N ATOM 651 CA VAL A 43 3.227 -1.785 6.955 1.00 0.00 C ATOM 652 C VAL A 43 2.410 -2.934 7.547 1.00 0.00 C ATOM 653 O VAL A 43 2.258 -3.981 6.919 1.00 0.00 O ATOM 654 CB VAL A 43 4.356 -1.317 7.875 1.00 0.00 C ATOM 655 CG1 VAL A 43 5.323 -2.463 8.183 1.00 0.00 C ATOM 656 CG2 VAL A 43 5.097 -0.122 7.271 1.00 0.00 C ATOM 0 H VAL A 43 2.531 0.180 7.177 1.00 0.00 H new ATOM 0 HA VAL A 43 3.700 -2.158 6.046 1.00 0.00 H new ATOM 0 HB VAL A 43 3.909 -0.993 8.815 1.00 0.00 H new ATOM 0 HG11 VAL A 43 6.116 -2.104 8.839 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.783 -3.272 8.676 1.00 0.00 H new ATOM 0 HG13 VAL A 43 5.759 -2.831 7.254 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.894 0.190 7.945 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.525 -0.407 6.310 1.00 0.00 H new ATOM 0 HG23 VAL A 43 4.400 0.703 7.127 1.00 0.00 H new ATOM 666 N MET A 44 1.905 -2.701 8.750 1.00 0.00 N ATOM 667 CA MET A 44 1.107 -3.704 9.434 1.00 0.00 C ATOM 668 C MET A 44 0.264 -4.505 8.440 1.00 0.00 C ATOM 669 O MET A 44 0.333 -5.733 8.410 1.00 0.00 O ATOM 670 CB MET A 44 0.189 -3.021 10.449 1.00 0.00 C ATOM 671 CG MET A 44 1.002 -2.289 11.519 1.00 0.00 C ATOM 672 SD MET A 44 0.850 -3.132 13.084 1.00 0.00 S ATOM 673 CE MET A 44 2.575 -3.300 13.515 1.00 0.00 C ATOM 0 H MET A 44 2.033 -1.832 9.268 1.00 0.00 H new ATOM 0 HA MET A 44 1.781 -4.391 9.946 1.00 0.00 H new ATOM 0 HB2 MET A 44 -0.464 -2.314 9.936 1.00 0.00 H new ATOM 0 HB3 MET A 44 -0.454 -3.764 10.921 1.00 0.00 H new ATOM 0 HG2 MET A 44 2.050 -2.242 11.222 1.00 0.00 H new ATOM 0 HG3 MET A 44 0.651 -1.261 11.614 1.00 0.00 H new ATOM 0 HE1 MET A 44 2.662 -3.810 14.474 1.00 0.00 H new ATOM 0 HE2 MET A 44 3.087 -3.880 12.747 1.00 0.00 H new ATOM 0 HE3 MET A 44 3.030 -2.312 13.587 1.00 0.00 H new ATOM 683 N ALA A 45 -0.513 -3.778 7.651 1.00 0.00 N ATOM 684 CA ALA A 45 -1.369 -4.406 6.659 1.00 0.00 C ATOM 685 C ALA A 45 -0.521 -5.301 5.754 1.00 0.00 C ATOM 686 O ALA A 45 -0.553 -6.525 5.879 1.00 0.00 O ATOM 687 CB ALA A 45 -2.118 -3.326 5.875 1.00 0.00 C ATOM 0 H ALA A 45 -0.568 -2.760 7.678 1.00 0.00 H new ATOM 0 HA ALA A 45 -2.116 -5.037 7.140 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -2.760 -3.796 5.131 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -2.728 -2.736 6.560 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -1.400 -2.675 5.376 1.00 0.00 H new ATOM 693 N LEU A 46 0.218 -4.657 4.862 1.00 0.00 N ATOM 694 CA LEU A 46 1.073 -5.381 3.936 1.00 0.00 C ATOM 695 C LEU A 46 1.822 -6.480 4.693 1.00 0.00 C ATOM 696 O LEU A 46 2.197 -7.495 4.108 1.00 0.00 O ATOM 697 CB LEU A 46 1.992 -4.413 3.188 1.00 0.00 C ATOM 698 CG LEU A 46 1.322 -3.535 2.129 1.00 0.00 C ATOM 699 CD1 LEU A 46 2.364 -2.756 1.323 1.00 0.00 C ATOM 700 CD2 LEU A 46 0.405 -4.364 1.229 1.00 0.00 C ATOM 0 H LEU A 46 0.242 -3.642 4.761 1.00 0.00 H new ATOM 0 HA LEU A 46 0.475 -5.873 3.169 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.474 -3.763 3.918 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.781 -4.991 2.706 1.00 0.00 H new ATOM 0 HG LEU A 46 0.696 -2.803 2.639 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.861 -2.140 0.577 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.939 -2.117 1.993 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.035 -3.455 0.824 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.058 -3.715 0.486 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.989 -5.134 0.725 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.370 -4.834 1.834 1.00 0.00 H new ATOM 712 N GLU A 47 2.016 -6.240 5.981 1.00 0.00 N ATOM 713 CA GLU A 47 2.714 -7.196 6.823 1.00 0.00 C ATOM 714 C GLU A 47 1.812 -8.396 7.122 1.00 0.00 C ATOM 715 O GLU A 47 2.205 -9.541 6.905 1.00 0.00 O ATOM 716 CB GLU A 47 3.197 -6.538 8.117 1.00 0.00 C ATOM 717 CG GLU A 47 4.607 -5.969 7.949 1.00 0.00 C ATOM 718 CD GLU A 47 5.643 -6.856 8.643 1.00 0.00 C ATOM 719 OE1 GLU A 47 6.034 -7.897 8.095 1.00 0.00 O ATOM 720 OE2 GLU A 47 6.043 -6.430 9.793 1.00 0.00 O ATOM 0 H GLU A 47 1.702 -5.397 6.462 1.00 0.00 H new ATOM 0 HA GLU A 47 3.593 -7.551 6.285 1.00 0.00 H new ATOM 0 HB2 GLU A 47 2.511 -5.741 8.402 1.00 0.00 H new ATOM 0 HB3 GLU A 47 3.190 -7.269 8.926 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.846 -5.886 6.889 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.649 -4.962 8.364 1.00 0.00 H new ATOM 728 N GLU A 48 0.621 -8.092 7.616 1.00 0.00 N ATOM 729 CA GLU A 48 -0.339 -9.131 7.947 1.00 0.00 C ATOM 730 C GLU A 48 -0.779 -9.870 6.681 1.00 0.00 C ATOM 731 O GLU A 48 -1.029 -11.074 6.716 1.00 0.00 O ATOM 732 CB GLU A 48 -1.544 -8.549 8.688 1.00 0.00 C ATOM 733 CG GLU A 48 -1.605 -9.065 10.127 1.00 0.00 C ATOM 734 CD GLU A 48 -2.727 -10.092 10.294 1.00 0.00 C ATOM 735 OE1 GLU A 48 -3.193 -10.668 9.300 1.00 0.00 O ATOM 736 OE2 GLU A 48 -3.113 -10.284 11.510 1.00 0.00 O ATOM 0 H GLU A 48 0.299 -7.141 7.795 1.00 0.00 H new ATOM 0 HA GLU A 48 0.145 -9.846 8.613 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.483 -7.461 8.691 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.461 -8.815 8.163 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.650 -9.517 10.396 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.766 -8.231 10.810 1.00 0.00 H new ATOM 744 N GLU A 49 -0.860 -9.118 5.593 1.00 0.00 N ATOM 745 CA GLU A 49 -1.266 -9.686 4.319 1.00 0.00 C ATOM 746 C GLU A 49 -0.507 -10.988 4.053 1.00 0.00 C ATOM 747 O GLU A 49 -1.117 -12.046 3.902 1.00 0.00 O ATOM 748 CB GLU A 49 -1.054 -8.686 3.180 1.00 0.00 C ATOM 749 CG GLU A 49 -2.011 -8.966 2.020 1.00 0.00 C ATOM 750 CD GLU A 49 -3.469 -8.866 2.475 1.00 0.00 C ATOM 751 OE1 GLU A 49 -3.752 -8.253 3.515 1.00 0.00 O ATOM 752 OE2 GLU A 49 -4.322 -9.451 1.705 1.00 0.00 O ATOM 0 H GLU A 49 -0.651 -8.120 5.568 1.00 0.00 H new ATOM 0 HA GLU A 49 -2.331 -9.912 4.367 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -1.210 -7.672 3.548 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -0.024 -8.743 2.828 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -1.828 -8.256 1.214 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -1.819 -9.961 1.618 1.00 0.00 H new ATOM 760 N PHE A 50 0.811 -10.868 4.004 1.00 0.00 N ATOM 761 CA PHE A 50 1.659 -12.023 3.759 1.00 0.00 C ATOM 762 C PHE A 50 2.795 -12.095 4.782 1.00 0.00 C ATOM 763 O PHE A 50 2.837 -13.010 5.604 1.00 0.00 O ATOM 764 CB PHE A 50 2.257 -11.850 2.361 1.00 0.00 C ATOM 765 CG PHE A 50 1.745 -12.862 1.335 1.00 0.00 C ATOM 766 CD1 PHE A 50 2.048 -14.181 1.471 1.00 0.00 C ATOM 767 CD2 PHE A 50 0.985 -12.443 0.288 1.00 0.00 C ATOM 768 CE1 PHE A 50 1.572 -15.120 0.518 1.00 0.00 C ATOM 769 CE2 PHE A 50 0.509 -13.383 -0.664 1.00 0.00 C ATOM 770 CZ PHE A 50 0.812 -14.701 -0.529 1.00 0.00 C ATOM 0 H PHE A 50 1.313 -9.989 4.130 1.00 0.00 H new ATOM 0 HA PHE A 50 1.074 -12.939 3.840 1.00 0.00 H new ATOM 0 HB2 PHE A 50 2.036 -10.844 2.005 1.00 0.00 H new ATOM 0 HB3 PHE A 50 3.342 -11.934 2.428 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.650 -14.514 2.303 1.00 0.00 H new ATOM 0 HD2 PHE A 50 0.744 -11.396 0.181 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.814 -16.167 0.625 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -0.094 -13.050 -1.496 1.00 0.00 H new ATOM 0 HZ PHE A 50 0.449 -15.415 -1.253 1.00 0.00 H new ATOM 780 N ASP A 51 3.688 -11.120 4.697 1.00 0.00 N ATOM 781 CA ASP A 51 4.821 -11.062 5.605 1.00 0.00 C ATOM 782 C ASP A 51 5.944 -10.248 4.960 1.00 0.00 C ATOM 783 O ASP A 51 6.709 -10.771 4.150 1.00 0.00 O ATOM 784 CB ASP A 51 5.361 -12.462 5.901 1.00 0.00 C ATOM 785 CG ASP A 51 4.897 -13.068 7.227 1.00 0.00 C ATOM 786 OD1 ASP A 51 4.025 -12.512 7.912 1.00 0.00 O ATOM 787 OD2 ASP A 51 5.476 -14.173 7.555 1.00 0.00 O ATOM 0 H ASP A 51 3.650 -10.364 4.013 1.00 0.00 H new ATOM 0 HA ASP A 51 4.486 -10.601 6.534 1.00 0.00 H new ATOM 0 HB2 ASP A 51 5.064 -13.128 5.091 1.00 0.00 H new ATOM 0 HB3 ASP A 51 6.450 -12.423 5.898 1.00 0.00 H new ATOM 793 N THR A 52 6.009 -8.982 5.343 1.00 0.00 N ATOM 794 CA THR A 52 7.027 -8.090 4.812 1.00 0.00 C ATOM 795 C THR A 52 6.953 -6.726 5.501 1.00 0.00 C ATOM 796 O THR A 52 6.119 -5.893 5.149 1.00 0.00 O ATOM 797 CB THR A 52 6.845 -8.016 3.295 1.00 0.00 C ATOM 798 OG1 THR A 52 7.952 -7.237 2.850 1.00 0.00 O ATOM 799 CG2 THR A 52 5.622 -7.189 2.892 1.00 0.00 C ATOM 0 H THR A 52 5.373 -8.552 6.015 1.00 0.00 H new ATOM 0 HA THR A 52 8.029 -8.467 5.016 1.00 0.00 H new ATOM 0 HB THR A 52 6.751 -9.024 2.891 1.00 0.00 H new ATOM 0 HG1 THR A 52 7.913 -7.140 1.876 1.00 0.00 H new ATOM 0 HG21 THR A 52 5.539 -7.168 1.805 1.00 0.00 H new ATOM 0 HG22 THR A 52 4.724 -7.637 3.316 1.00 0.00 H new ATOM 0 HG23 THR A 52 5.731 -6.171 3.267 1.00 0.00 H new ATOM 807 N GLU A 53 7.836 -6.540 6.470 1.00 0.00 N ATOM 808 CA GLU A 53 7.882 -5.291 7.212 1.00 0.00 C ATOM 809 C GLU A 53 8.300 -4.142 6.292 1.00 0.00 C ATOM 810 O GLU A 53 9.374 -3.567 6.459 1.00 0.00 O ATOM 811 CB GLU A 53 8.822 -5.400 8.414 1.00 0.00 C ATOM 812 CG GLU A 53 10.172 -5.992 8.002 1.00 0.00 C ATOM 813 CD GLU A 53 10.474 -7.268 8.789 1.00 0.00 C ATOM 814 OE1 GLU A 53 9.544 -7.953 9.242 1.00 0.00 O ATOM 815 OE2 GLU A 53 11.728 -7.542 8.923 1.00 0.00 O ATOM 0 H GLU A 53 8.526 -7.233 6.759 1.00 0.00 H new ATOM 0 HA GLU A 53 6.882 -5.081 7.593 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.972 -4.414 8.853 1.00 0.00 H new ATOM 0 HB3 GLU A 53 8.366 -6.025 9.182 1.00 0.00 H new ATOM 0 HG2 GLU A 53 10.166 -6.212 6.934 1.00 0.00 H new ATOM 0 HG3 GLU A 53 10.961 -5.260 8.172 1.00 0.00 H new ATOM 823 N ILE A 54 7.429 -3.842 5.339 1.00 0.00 N ATOM 824 CA ILE A 54 7.694 -2.773 4.392 1.00 0.00 C ATOM 825 C ILE A 54 8.123 -1.517 5.154 1.00 0.00 C ATOM 826 O ILE A 54 7.297 -0.852 5.776 1.00 0.00 O ATOM 827 CB ILE A 54 6.487 -2.555 3.478 1.00 0.00 C ATOM 828 CG1 ILE A 54 6.680 -1.316 2.601 1.00 0.00 C ATOM 829 CG2 ILE A 54 5.191 -2.487 4.288 1.00 0.00 C ATOM 830 CD1 ILE A 54 8.147 -1.152 2.198 1.00 0.00 C ATOM 0 H ILE A 54 6.539 -4.321 5.203 1.00 0.00 H new ATOM 0 HA ILE A 54 8.519 -3.044 3.733 1.00 0.00 H new ATOM 0 HB ILE A 54 6.405 -3.413 2.810 1.00 0.00 H new ATOM 0 HG12 ILE A 54 6.061 -1.398 1.708 1.00 0.00 H new ATOM 0 HG13 ILE A 54 6.346 -0.429 3.140 1.00 0.00 H new ATOM 0 HG21 ILE A 54 4.349 -2.331 3.614 1.00 0.00 H new ATOM 0 HG22 ILE A 54 5.053 -3.421 4.832 1.00 0.00 H new ATOM 0 HG23 ILE A 54 5.247 -1.660 4.996 1.00 0.00 H new ATOM 0 HD11 ILE A 54 8.256 -0.264 1.575 1.00 0.00 H new ATOM 0 HD12 ILE A 54 8.760 -1.045 3.093 1.00 0.00 H new ATOM 0 HD13 ILE A 54 8.471 -2.030 1.639 1.00 0.00 H new ATOM 842 N PRO A 55 9.449 -1.225 5.079 1.00 0.00 N ATOM 843 CA PRO A 55 9.998 -0.061 5.754 1.00 0.00 C ATOM 844 C PRO A 55 9.636 1.226 5.010 1.00 0.00 C ATOM 845 O PRO A 55 9.485 1.220 3.790 1.00 0.00 O ATOM 846 CB PRO A 55 11.496 -0.311 5.815 1.00 0.00 C ATOM 847 CG PRO A 55 11.783 -1.374 4.767 1.00 0.00 C ATOM 848 CD PRO A 55 10.457 -1.990 4.352 1.00 0.00 C ATOM 0 HA PRO A 55 9.590 0.076 6.755 1.00 0.00 H new ATOM 0 HB2 PRO A 55 12.053 0.603 5.608 1.00 0.00 H new ATOM 0 HB3 PRO A 55 11.796 -0.649 6.807 1.00 0.00 H new ATOM 0 HG2 PRO A 55 12.286 -0.935 3.906 1.00 0.00 H new ATOM 0 HG3 PRO A 55 12.449 -2.137 5.170 1.00 0.00 H new ATOM 0 HD2 PRO A 55 10.307 -1.919 3.275 1.00 0.00 H new ATOM 0 HD3 PRO A 55 10.414 -3.048 4.611 1.00 0.00 H new ATOM 856 N ASP A 56 9.507 2.299 5.777 1.00 0.00 N ATOM 857 CA ASP A 56 9.166 3.591 5.206 1.00 0.00 C ATOM 858 C ASP A 56 10.225 3.983 4.174 1.00 0.00 C ATOM 859 O ASP A 56 9.893 4.400 3.066 1.00 0.00 O ATOM 860 CB ASP A 56 9.130 4.677 6.283 1.00 0.00 C ATOM 861 CG ASP A 56 10.327 4.684 7.235 1.00 0.00 C ATOM 862 OD1 ASP A 56 11.361 5.310 6.955 1.00 0.00 O ATOM 863 OD2 ASP A 56 10.167 4.003 8.318 1.00 0.00 O ATOM 0 H ASP A 56 9.633 2.300 6.789 1.00 0.00 H new ATOM 0 HA ASP A 56 8.181 3.507 4.746 1.00 0.00 H new ATOM 0 HB2 ASP A 56 9.068 5.650 5.795 1.00 0.00 H new ATOM 0 HB3 ASP A 56 8.219 4.556 6.870 1.00 0.00 H new ATOM 869 N GLU A 57 11.480 3.836 4.576 1.00 0.00 N ATOM 870 CA GLU A 57 12.590 4.170 3.700 1.00 0.00 C ATOM 871 C GLU A 57 12.348 3.606 2.298 1.00 0.00 C ATOM 872 O GLU A 57 12.766 4.200 1.306 1.00 0.00 O ATOM 873 CB GLU A 57 13.914 3.662 4.274 1.00 0.00 C ATOM 874 CG GLU A 57 15.102 4.217 3.487 1.00 0.00 C ATOM 875 CD GLU A 57 15.507 5.598 4.007 1.00 0.00 C ATOM 876 OE1 GLU A 57 14.667 6.323 4.559 1.00 0.00 O ATOM 877 OE2 GLU A 57 16.746 5.908 3.822 1.00 0.00 O ATOM 0 H GLU A 57 11.752 3.490 5.496 1.00 0.00 H new ATOM 0 HA GLU A 57 12.656 5.256 3.628 1.00 0.00 H new ATOM 0 HB2 GLU A 57 13.997 3.956 5.320 1.00 0.00 H new ATOM 0 HB3 GLU A 57 13.932 2.572 4.246 1.00 0.00 H new ATOM 0 HG2 GLU A 57 15.947 3.533 3.566 1.00 0.00 H new ATOM 0 HG3 GLU A 57 14.843 4.284 2.430 1.00 0.00 H new ATOM 885 N GLU A 58 11.675 2.465 2.262 1.00 0.00 N ATOM 886 CA GLU A 58 11.373 1.815 0.998 1.00 0.00 C ATOM 887 C GLU A 58 9.931 2.110 0.580 1.00 0.00 C ATOM 888 O GLU A 58 9.589 2.012 -0.597 1.00 0.00 O ATOM 889 CB GLU A 58 11.620 0.307 1.085 1.00 0.00 C ATOM 890 CG GLU A 58 12.726 -0.123 0.119 1.00 0.00 C ATOM 891 CD GLU A 58 13.375 -1.431 0.576 1.00 0.00 C ATOM 892 OE1 GLU A 58 14.454 -1.407 1.187 1.00 0.00 O ATOM 893 OE2 GLU A 58 12.718 -2.499 0.277 1.00 0.00 O ATOM 0 H GLU A 58 11.331 1.974 3.087 1.00 0.00 H new ATOM 0 HA GLU A 58 12.041 2.217 0.236 1.00 0.00 H new ATOM 0 HB2 GLU A 58 11.897 0.038 2.104 1.00 0.00 H new ATOM 0 HB3 GLU A 58 10.700 -0.230 0.853 1.00 0.00 H new ATOM 0 HG2 GLU A 58 12.312 -0.249 -0.881 1.00 0.00 H new ATOM 0 HG3 GLU A 58 13.482 0.659 0.055 1.00 0.00 H new ATOM 901 N ALA A 59 9.123 2.467 1.569 1.00 0.00 N ATOM 902 CA ALA A 59 7.726 2.777 1.318 1.00 0.00 C ATOM 903 C ALA A 59 7.554 4.295 1.227 1.00 0.00 C ATOM 904 O ALA A 59 6.442 4.805 1.350 1.00 0.00 O ATOM 905 CB ALA A 59 6.860 2.157 2.417 1.00 0.00 C ATOM 0 H ALA A 59 9.410 2.548 2.545 1.00 0.00 H new ATOM 0 HA ALA A 59 7.402 2.351 0.368 1.00 0.00 H new ATOM 0 HB1 ALA A 59 5.812 2.389 2.229 1.00 0.00 H new ATOM 0 HB2 ALA A 59 6.997 1.076 2.421 1.00 0.00 H new ATOM 0 HB3 ALA A 59 7.154 2.564 3.385 1.00 0.00 H new ATOM 911 N GLU A 60 8.671 4.973 1.012 1.00 0.00 N ATOM 912 CA GLU A 60 8.658 6.422 0.903 1.00 0.00 C ATOM 913 C GLU A 60 8.799 6.845 -0.561 1.00 0.00 C ATOM 914 O GLU A 60 8.187 7.822 -0.990 1.00 0.00 O ATOM 915 CB GLU A 60 9.759 7.047 1.763 1.00 0.00 C ATOM 916 CG GLU A 60 9.658 8.573 1.758 1.00 0.00 C ATOM 917 CD GLU A 60 11.046 9.214 1.700 1.00 0.00 C ATOM 918 OE1 GLU A 60 11.822 8.929 0.776 1.00 0.00 O ATOM 919 OE2 GLU A 60 11.308 10.036 2.659 1.00 0.00 O ATOM 0 H GLU A 60 9.592 4.546 0.910 1.00 0.00 H new ATOM 0 HA GLU A 60 7.701 6.786 1.276 1.00 0.00 H new ATOM 0 HB2 GLU A 60 9.681 6.677 2.785 1.00 0.00 H new ATOM 0 HB3 GLU A 60 10.736 6.742 1.387 1.00 0.00 H new ATOM 0 HG2 GLU A 60 9.067 8.899 0.902 1.00 0.00 H new ATOM 0 HG3 GLU A 60 9.135 8.909 2.653 1.00 0.00 H new ATOM 927 N LYS A 61 9.610 6.090 -1.287 1.00 0.00 N ATOM 928 CA LYS A 61 9.839 6.374 -2.693 1.00 0.00 C ATOM 929 C LYS A 61 8.635 5.899 -3.508 1.00 0.00 C ATOM 930 O LYS A 61 8.606 6.055 -4.728 1.00 0.00 O ATOM 931 CB LYS A 61 11.169 5.772 -3.152 1.00 0.00 C ATOM 932 CG LYS A 61 11.101 4.244 -3.173 1.00 0.00 C ATOM 933 CD LYS A 61 12.124 3.663 -4.151 1.00 0.00 C ATOM 934 CE LYS A 61 13.413 3.269 -3.426 1.00 0.00 C ATOM 935 NZ LYS A 61 14.429 2.799 -4.393 1.00 0.00 N ATOM 0 H LYS A 61 10.117 5.281 -0.927 1.00 0.00 H new ATOM 0 HA LYS A 61 9.929 7.448 -2.854 1.00 0.00 H new ATOM 0 HB2 LYS A 61 11.416 6.142 -4.147 1.00 0.00 H new ATOM 0 HB3 LYS A 61 11.968 6.095 -2.485 1.00 0.00 H new ATOM 0 HG2 LYS A 61 11.287 3.854 -2.172 1.00 0.00 H new ATOM 0 HG3 LYS A 61 10.098 3.925 -3.458 1.00 0.00 H new ATOM 0 HD2 LYS A 61 11.701 2.790 -4.649 1.00 0.00 H new ATOM 0 HD3 LYS A 61 12.348 4.396 -4.926 1.00 0.00 H new ATOM 0 HE2 LYS A 61 13.800 4.123 -2.870 1.00 0.00 H new ATOM 0 HE3 LYS A 61 13.203 2.484 -2.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 15.297 2.536 -3.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 14.064 1.971 -4.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 14.642 3.559 -5.070 1.00 0.00 H new ATOM 948 N ILE A 62 7.671 5.327 -2.801 1.00 0.00 N ATOM 949 CA ILE A 62 6.467 4.828 -3.444 1.00 0.00 C ATOM 950 C ILE A 62 5.518 5.996 -3.716 1.00 0.00 C ATOM 951 O ILE A 62 5.100 6.208 -4.853 1.00 0.00 O ATOM 952 CB ILE A 62 5.841 3.707 -2.611 1.00 0.00 C ATOM 953 CG1 ILE A 62 5.263 4.253 -1.304 1.00 0.00 C ATOM 954 CG2 ILE A 62 6.845 2.579 -2.367 1.00 0.00 C ATOM 955 CD1 ILE A 62 4.809 3.115 -0.388 1.00 0.00 C ATOM 0 H ILE A 62 7.699 5.198 -1.790 1.00 0.00 H new ATOM 0 HA ILE A 62 6.707 4.381 -4.409 1.00 0.00 H new ATOM 0 HB ILE A 62 5.012 3.283 -3.177 1.00 0.00 H new ATOM 0 HG12 ILE A 62 6.014 4.857 -0.795 1.00 0.00 H new ATOM 0 HG13 ILE A 62 4.420 4.909 -1.521 1.00 0.00 H new ATOM 0 HG21 ILE A 62 6.375 1.796 -1.773 1.00 0.00 H new ATOM 0 HG22 ILE A 62 7.167 2.166 -3.323 1.00 0.00 H new ATOM 0 HG23 ILE A 62 7.710 2.971 -1.831 1.00 0.00 H new ATOM 0 HD11 ILE A 62 4.402 3.530 0.534 1.00 0.00 H new ATOM 0 HD12 ILE A 62 4.041 2.527 -0.891 1.00 0.00 H new ATOM 0 HD13 ILE A 62 5.660 2.475 -0.153 1.00 0.00 H new ATOM 967 N THR A 63 5.204 6.722 -2.654 1.00 0.00 N ATOM 968 CA THR A 63 4.312 7.863 -2.764 1.00 0.00 C ATOM 969 C THR A 63 3.032 7.469 -3.503 1.00 0.00 C ATOM 970 O THR A 63 2.323 8.328 -4.026 1.00 0.00 O ATOM 971 CB THR A 63 5.079 9.000 -3.441 1.00 0.00 C ATOM 972 OG1 THR A 63 4.154 10.084 -3.455 1.00 0.00 O ATOM 973 CG2 THR A 63 5.350 8.724 -4.921 1.00 0.00 C ATOM 0 H THR A 63 5.552 6.542 -1.712 1.00 0.00 H new ATOM 0 HA THR A 63 3.990 8.209 -1.782 1.00 0.00 H new ATOM 0 HB THR A 63 6.024 9.158 -2.922 1.00 0.00 H new ATOM 0 HG1 THR A 63 3.240 9.734 -3.504 1.00 0.00 H new ATOM 0 HG21 THR A 63 5.897 9.562 -5.353 1.00 0.00 H new ATOM 0 HG22 THR A 63 5.943 7.815 -5.019 1.00 0.00 H new ATOM 0 HG23 THR A 63 4.404 8.598 -5.447 1.00 0.00 H new ATOM 981 N THR A 64 2.774 6.170 -3.524 1.00 0.00 N ATOM 982 CA THR A 64 1.592 5.651 -4.191 1.00 0.00 C ATOM 983 C THR A 64 1.272 4.242 -3.691 1.00 0.00 C ATOM 984 O THR A 64 1.904 3.753 -2.755 1.00 0.00 O ATOM 985 CB THR A 64 1.832 5.720 -5.700 1.00 0.00 C ATOM 986 OG1 THR A 64 3.199 5.347 -5.852 1.00 0.00 O ATOM 987 CG2 THR A 64 1.775 7.152 -6.238 1.00 0.00 C ATOM 0 H THR A 64 3.364 5.460 -3.089 1.00 0.00 H new ATOM 0 HA THR A 64 0.712 6.251 -3.959 1.00 0.00 H new ATOM 0 HB THR A 64 1.089 5.110 -6.213 1.00 0.00 H new ATOM 0 HG1 THR A 64 3.770 6.131 -5.710 1.00 0.00 H new ATOM 0 HG21 THR A 64 1.952 7.144 -7.314 1.00 0.00 H new ATOM 0 HG22 THR A 64 0.792 7.578 -6.035 1.00 0.00 H new ATOM 0 HG23 THR A 64 2.540 7.755 -5.749 1.00 0.00 H new ATOM 995 N VAL A 65 0.291 3.627 -4.336 1.00 0.00 N ATOM 996 CA VAL A 65 -0.120 2.283 -3.968 1.00 0.00 C ATOM 997 C VAL A 65 0.618 1.271 -4.846 1.00 0.00 C ATOM 998 O VAL A 65 1.299 0.382 -4.336 1.00 0.00 O ATOM 999 CB VAL A 65 -1.642 2.158 -4.060 1.00 0.00 C ATOM 1000 CG1 VAL A 65 -2.092 0.723 -3.776 1.00 0.00 C ATOM 1001 CG2 VAL A 65 -2.332 3.146 -3.117 1.00 0.00 C ATOM 0 H VAL A 65 -0.231 4.035 -5.111 1.00 0.00 H new ATOM 0 HA VAL A 65 0.148 2.071 -2.933 1.00 0.00 H new ATOM 0 HB VAL A 65 -1.938 2.407 -5.079 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -3.178 0.661 -3.848 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -1.641 0.049 -4.505 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -1.778 0.435 -2.773 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -3.413 3.036 -3.202 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -2.027 2.943 -2.091 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -2.049 4.164 -3.385 1.00 0.00 H new ATOM 1011 N GLN A 66 0.458 1.439 -6.150 1.00 0.00 N ATOM 1012 CA GLN A 66 1.100 0.551 -7.104 1.00 0.00 C ATOM 1013 C GLN A 66 2.514 0.201 -6.635 1.00 0.00 C ATOM 1014 O GLN A 66 2.871 -0.973 -6.547 1.00 0.00 O ATOM 1015 CB GLN A 66 1.124 1.172 -8.502 1.00 0.00 C ATOM 1016 CG GLN A 66 2.000 0.352 -9.451 1.00 0.00 C ATOM 1017 CD GLN A 66 1.290 0.115 -10.785 1.00 0.00 C ATOM 1018 OE1 GLN A 66 0.332 -0.807 -10.732 1.00 0.00 O flip ATOM 1019 NE2 GLN A 66 1.591 0.728 -11.796 1.00 0.00 N flip ATOM 0 H GLN A 66 -0.107 2.177 -6.569 1.00 0.00 H new ATOM 0 HA GLN A 66 0.519 -0.369 -7.162 1.00 0.00 H new ATOM 0 HB2 GLN A 66 0.109 1.229 -8.896 1.00 0.00 H new ATOM 0 HB3 GLN A 66 1.501 2.193 -8.444 1.00 0.00 H new ATOM 0 HG2 GLN A 66 2.942 0.873 -9.624 1.00 0.00 H new ATOM 0 HG3 GLN A 66 2.245 -0.605 -8.990 1.00 0.00 H new ATOM 0 HE21 GLN A 66 2.337 1.423 -11.768 1.00 0.00 H new ATOM 0 HE22 GLN A 66 1.097 0.545 -12.669 1.00 0.00 H new ATOM 1028 N ALA A 67 3.281 1.242 -6.346 1.00 0.00 N ATOM 1029 CA ALA A 67 4.648 1.060 -5.888 1.00 0.00 C ATOM 1030 C ALA A 67 4.678 -0.017 -4.802 1.00 0.00 C ATOM 1031 O ALA A 67 5.484 -0.944 -4.864 1.00 0.00 O ATOM 1032 CB ALA A 67 5.205 2.398 -5.398 1.00 0.00 C ATOM 0 H ALA A 67 2.982 2.214 -6.420 1.00 0.00 H new ATOM 0 HA ALA A 67 5.285 0.722 -6.705 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.230 2.261 -5.054 1.00 0.00 H new ATOM 0 HB2 ALA A 67 5.189 3.120 -6.215 1.00 0.00 H new ATOM 0 HB3 ALA A 67 4.593 2.768 -4.575 1.00 0.00 H new ATOM 1038 N ALA A 68 3.790 0.141 -3.831 1.00 0.00 N ATOM 1039 CA ALA A 68 3.705 -0.806 -2.733 1.00 0.00 C ATOM 1040 C ALA A 68 3.446 -2.207 -3.292 1.00 0.00 C ATOM 1041 O ALA A 68 3.851 -3.203 -2.694 1.00 0.00 O ATOM 1042 CB ALA A 68 2.617 -0.358 -1.755 1.00 0.00 C ATOM 0 H ALA A 68 3.123 0.911 -3.782 1.00 0.00 H new ATOM 0 HA ALA A 68 4.645 -0.840 -2.182 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.553 -1.069 -0.931 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.863 0.629 -1.364 1.00 0.00 H new ATOM 0 HB3 ALA A 68 1.658 -0.315 -2.272 1.00 0.00 H new ATOM 1048 N ILE A 69 2.773 -2.238 -4.433 1.00 0.00 N ATOM 1049 CA ILE A 69 2.455 -3.500 -5.079 1.00 0.00 C ATOM 1050 C ILE A 69 3.678 -3.994 -5.854 1.00 0.00 C ATOM 1051 O ILE A 69 4.263 -5.020 -5.509 1.00 0.00 O ATOM 1052 CB ILE A 69 1.197 -3.359 -5.940 1.00 0.00 C ATOM 1053 CG1 ILE A 69 -0.016 -2.992 -5.082 1.00 0.00 C ATOM 1054 CG2 ILE A 69 0.954 -4.624 -6.766 1.00 0.00 C ATOM 1055 CD1 ILE A 69 -1.173 -2.500 -5.953 1.00 0.00 C ATOM 0 H ILE A 69 2.439 -1.410 -4.926 1.00 0.00 H new ATOM 0 HA ILE A 69 2.221 -4.261 -4.334 1.00 0.00 H new ATOM 0 HB ILE A 69 1.353 -2.541 -6.643 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -0.334 -3.860 -4.505 1.00 0.00 H new ATOM 0 HG13 ILE A 69 0.261 -2.217 -4.367 1.00 0.00 H new ATOM 0 HG21 ILE A 69 0.055 -4.498 -7.369 1.00 0.00 H new ATOM 0 HG22 ILE A 69 1.808 -4.801 -7.421 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.827 -5.476 -6.098 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -2.023 -2.246 -5.319 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -0.859 -1.618 -6.511 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -1.463 -3.286 -6.651 1.00 0.00 H new ATOM 1067 N ASP A 70 4.029 -3.241 -6.886 1.00 0.00 N ATOM 1068 CA ASP A 70 5.172 -3.589 -7.713 1.00 0.00 C ATOM 1069 C ASP A 70 6.323 -4.048 -6.816 1.00 0.00 C ATOM 1070 O ASP A 70 7.156 -4.852 -7.231 1.00 0.00 O ATOM 1071 CB ASP A 70 5.654 -2.383 -8.522 1.00 0.00 C ATOM 1072 CG ASP A 70 6.727 -2.694 -9.567 1.00 0.00 C ATOM 1073 OD1 ASP A 70 7.146 -3.850 -9.729 1.00 0.00 O ATOM 1074 OD2 ASP A 70 7.142 -1.675 -10.241 1.00 0.00 O ATOM 0 H ASP A 70 3.542 -2.391 -7.169 1.00 0.00 H new ATOM 0 HA ASP A 70 4.866 -4.382 -8.396 1.00 0.00 H new ATOM 0 HB2 ASP A 70 4.797 -1.936 -9.025 1.00 0.00 H new ATOM 0 HB3 ASP A 70 6.045 -1.635 -7.833 1.00 0.00 H new ATOM 1080 N TYR A 71 6.333 -3.517 -5.602 1.00 0.00 N ATOM 1081 CA TYR A 71 7.369 -3.861 -4.643 1.00 0.00 C ATOM 1082 C TYR A 71 7.080 -5.212 -3.985 1.00 0.00 C ATOM 1083 O TYR A 71 7.977 -6.040 -3.838 1.00 0.00 O ATOM 1084 CB TYR A 71 7.333 -2.769 -3.572 1.00 0.00 C ATOM 1085 CG TYR A 71 7.832 -3.225 -2.200 1.00 0.00 C ATOM 1086 CD1 TYR A 71 9.179 -3.444 -1.993 1.00 0.00 C ATOM 1087 CD2 TYR A 71 6.935 -3.418 -1.169 1.00 0.00 C ATOM 1088 CE1 TYR A 71 9.648 -3.874 -0.701 1.00 0.00 C ATOM 1089 CE2 TYR A 71 7.404 -3.848 0.123 1.00 0.00 C ATOM 1090 CZ TYR A 71 8.738 -4.055 0.293 1.00 0.00 C ATOM 1091 OH TYR A 71 9.181 -4.461 1.513 1.00 0.00 O ATOM 0 H TYR A 71 5.640 -2.851 -5.261 1.00 0.00 H new ATOM 0 HA TYR A 71 8.339 -3.932 -5.136 1.00 0.00 H new ATOM 0 HB2 TYR A 71 7.939 -1.927 -3.906 1.00 0.00 H new ATOM 0 HB3 TYR A 71 6.310 -2.406 -3.473 1.00 0.00 H new ATOM 0 HD1 TYR A 71 9.881 -3.293 -2.800 1.00 0.00 H new ATOM 0 HD2 TYR A 71 5.881 -3.247 -1.331 1.00 0.00 H new ATOM 0 HE1 TYR A 71 10.699 -4.049 -0.526 1.00 0.00 H new ATOM 0 HE2 TYR A 71 6.713 -4.003 0.938 1.00 0.00 H new ATOM 0 HH TYR A 71 8.736 -5.299 1.760 1.00 0.00 H new ATOM 1101 N ILE A 72 5.822 -5.393 -3.608 1.00 0.00 N ATOM 1102 CA ILE A 72 5.403 -6.630 -2.970 1.00 0.00 C ATOM 1103 C ILE A 72 5.595 -7.793 -3.945 1.00 0.00 C ATOM 1104 O ILE A 72 5.791 -8.933 -3.527 1.00 0.00 O ATOM 1105 CB ILE A 72 3.974 -6.501 -2.440 1.00 0.00 C ATOM 1106 CG1 ILE A 72 3.931 -5.627 -1.185 1.00 0.00 C ATOM 1107 CG2 ILE A 72 3.352 -7.878 -2.200 1.00 0.00 C ATOM 1108 CD1 ILE A 72 4.280 -6.440 0.063 1.00 0.00 C ATOM 0 H ILE A 72 5.080 -4.704 -3.732 1.00 0.00 H new ATOM 0 HA ILE A 72 6.024 -6.839 -2.099 1.00 0.00 H new ATOM 0 HB ILE A 72 3.372 -6.003 -3.200 1.00 0.00 H new ATOM 0 HG12 ILE A 72 4.631 -4.798 -1.291 1.00 0.00 H new ATOM 0 HG13 ILE A 72 2.937 -5.193 -1.074 1.00 0.00 H new ATOM 0 HG21 ILE A 72 2.336 -7.758 -1.823 1.00 0.00 H new ATOM 0 HG22 ILE A 72 3.328 -8.435 -3.137 1.00 0.00 H new ATOM 0 HG23 ILE A 72 3.948 -8.424 -1.469 1.00 0.00 H new ATOM 0 HD11 ILE A 72 4.242 -5.794 0.940 1.00 0.00 H new ATOM 0 HD12 ILE A 72 3.564 -7.253 0.180 1.00 0.00 H new ATOM 0 HD13 ILE A 72 5.284 -6.853 -0.040 1.00 0.00 H new ATOM 1120 N ASN A 73 5.532 -7.465 -5.227 1.00 0.00 N ATOM 1121 CA ASN A 73 5.696 -8.468 -6.266 1.00 0.00 C ATOM 1122 C ASN A 73 7.184 -8.779 -6.437 1.00 0.00 C ATOM 1123 O ASN A 73 7.566 -9.939 -6.587 1.00 0.00 O ATOM 1124 CB ASN A 73 5.161 -7.964 -7.608 1.00 0.00 C ATOM 1125 CG ASN A 73 3.804 -8.594 -7.928 1.00 0.00 C ATOM 1126 OD1 ASN A 73 2.779 -8.015 -7.309 1.00 0.00 O flip ATOM 1127 ND2 ASN A 73 3.695 -9.543 -8.687 1.00 0.00 N flip ATOM 0 H ASN A 73 5.370 -6.518 -5.570 1.00 0.00 H new ATOM 0 HA ASN A 73 5.140 -9.357 -5.968 1.00 0.00 H new ATOM 0 HB2 ASN A 73 5.065 -6.879 -7.581 1.00 0.00 H new ATOM 0 HB3 ASN A 73 5.872 -8.201 -8.399 1.00 0.00 H new ATOM 0 HD21 ASN A 73 4.524 -9.940 -9.129 1.00 0.00 H new ATOM 0 HD22 ASN A 73 2.775 -9.939 -8.879 1.00 0.00 H new ATOM 1134 N GLY A 74 7.984 -7.723 -6.408 1.00 0.00 N ATOM 1135 CA GLY A 74 9.422 -7.870 -6.559 1.00 0.00 C ATOM 1136 C GLY A 74 9.998 -8.778 -5.470 1.00 0.00 C ATOM 1137 O GLY A 74 11.102 -9.301 -5.613 1.00 0.00 O ATOM 0 H GLY A 74 7.664 -6.763 -6.282 1.00 0.00 H new ATOM 0 HA2 GLY A 74 9.647 -8.286 -7.541 1.00 0.00 H new ATOM 0 HA3 GLY A 74 9.898 -6.891 -6.511 1.00 0.00 H new ATOM 1141 N HIS A 75 9.223 -8.937 -4.407 1.00 0.00 N ATOM 1142 CA HIS A 75 9.642 -9.773 -3.295 1.00 0.00 C ATOM 1143 C HIS A 75 9.664 -11.239 -3.734 1.00 0.00 C ATOM 1144 O HIS A 75 10.716 -11.877 -3.728 1.00 0.00 O ATOM 1145 CB HIS A 75 8.755 -9.535 -2.071 1.00 0.00 C ATOM 1146 CG HIS A 75 9.509 -9.498 -0.763 1.00 0.00 C ATOM 1147 ND1 HIS A 75 9.015 -10.057 0.403 1.00 0.00 N ATOM 1148 CD2 HIS A 75 10.725 -8.965 -0.450 1.00 0.00 C ATOM 1149 CE1 HIS A 75 9.902 -9.862 1.368 1.00 0.00 C ATOM 1150 NE2 HIS A 75 10.960 -9.185 0.837 1.00 0.00 N ATOM 0 H HIS A 75 8.308 -8.501 -4.292 1.00 0.00 H new ATOM 0 HA HIS A 75 10.655 -9.504 -2.996 1.00 0.00 H new ATOM 0 HB2 HIS A 75 8.223 -8.592 -2.199 1.00 0.00 H new ATOM 0 HB3 HIS A 75 8.002 -10.322 -2.022 1.00 0.00 H new ATOM 0 HD2 HIS A 75 11.384 -8.451 -1.134 1.00 0.00 H new ATOM 0 HE1 HIS A 75 9.804 -10.183 2.395 1.00 0.00 H new ATOM 0 HE2 HIS A 75 11.795 -8.895 1.346 1.00 0.00 H new ATOM 1158 N GLN A 76 8.491 -11.730 -4.105 1.00 0.00 N ATOM 1159 CA GLN A 76 8.363 -13.108 -4.547 1.00 0.00 C ATOM 1160 C GLN A 76 9.169 -13.332 -5.827 1.00 0.00 C ATOM 1161 O GLN A 76 8.822 -12.806 -6.884 1.00 0.00 O ATOM 1162 CB GLN A 76 6.894 -13.484 -4.751 1.00 0.00 C ATOM 1163 CG GLN A 76 6.292 -14.060 -3.468 1.00 0.00 C ATOM 1164 CD GLN A 76 4.866 -13.546 -3.252 1.00 0.00 C ATOM 1165 OE1 GLN A 76 3.895 -14.121 -3.715 1.00 0.00 O ATOM 1166 NE2 GLN A 76 4.796 -12.435 -2.525 1.00 0.00 N ATOM 0 H GLN A 76 7.621 -11.198 -4.109 1.00 0.00 H new ATOM 0 HA GLN A 76 8.766 -13.757 -3.769 1.00 0.00 H new ATOM 0 HB2 GLN A 76 6.329 -12.604 -5.059 1.00 0.00 H new ATOM 0 HB3 GLN A 76 6.810 -14.214 -5.556 1.00 0.00 H new ATOM 0 HG2 GLN A 76 6.286 -15.149 -3.522 1.00 0.00 H new ATOM 0 HG3 GLN A 76 6.914 -13.787 -2.616 1.00 0.00 H new ATOM 0 HE21 GLN A 76 5.649 -12.005 -2.168 1.00 0.00 H new ATOM 0 HE22 GLN A 76 3.889 -12.013 -2.325 1.00 0.00 H new ATOM 1175 N ALA A 77 10.230 -14.114 -5.691 1.00 0.00 N ATOM 1176 CA ALA A 77 11.089 -14.415 -6.824 1.00 0.00 C ATOM 1177 C ALA A 77 11.813 -15.739 -6.573 1.00 0.00 C ATOM 1178 O ALA A 77 13.026 -15.830 -6.752 1.00 0.00 O ATOM 1179 CB ALA A 77 12.058 -13.254 -7.052 1.00 0.00 C ATOM 0 H ALA A 77 10.514 -14.548 -4.813 1.00 0.00 H new ATOM 0 HA ALA A 77 10.499 -14.530 -7.733 1.00 0.00 H new ATOM 0 HB1 ALA A 77 12.702 -13.479 -7.902 1.00 0.00 H new ATOM 0 HB2 ALA A 77 11.494 -12.344 -7.256 1.00 0.00 H new ATOM 0 HB3 ALA A 77 12.669 -13.110 -6.161 1.00 0.00 H new TER 1185 ALA A 77