USER MOD reduce.3.24.130724 H: found=0, std=0, add=899, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 899 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 40 TYR OH : rot 130:sc= 0.0195 USER MOD Set 1.2: A 67 LYS NZ :NH3+ -126:sc= -2.57! (180deg=-7.43!) USER MOD Set 2.1: A 18 THR OG1 : rot 180:sc= 0.122 USER MOD Set 2.2: A 21 SER OG : rot 92:sc= 0.0486 USER MOD Single : A 1 MET CE :methyl -169:sc= -0.0017 (180deg=-0.157) USER MOD Single : A 1 MET N :NH3+ -135:sc=-0.00459 (180deg=-0.2) USER MOD Single : A 6 LYS NZ :NH3+ -124:sc= 0.503 (180deg=-0.131) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0325 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 159:sc= 0.64 USER MOD Single : A 17 ASN : amide:sc= -0.0721 K(o=-0.072,f=-1.2) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 LYS NZ :NH3+ 168:sc=-0.00929 (180deg=-0.168) USER MOD Single : A 27 THR OG1 : rot 97:sc= 1.29 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.058) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 GLN : amide:sc= -0.192 X(o=-0.19,f=-0.15) USER MOD Single : A 58 LYS NZ :NH3+ 167:sc= 1.14 (180deg=0.899) USER MOD Single : A 62 THR OG1 : rot -110:sc= 0 USER MOD Single : A 64 THR OG1 : rot 97:sc= 1.26 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= -1.16! C(o=-1.2!,f=-9.4!) USER MOD Single : A 85 LYS NZ :NH3+ -171:sc=-0.00377 (180deg=-0.0976) USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ -160:sc= 0.216 (180deg=0.0872) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.348 -10.402 -18.942 1.00 0.00 N ATOM 2 CA MET A 1 -14.981 -10.727 -17.638 1.00 0.00 C ATOM 3 C MET A 1 -14.224 -11.851 -16.936 1.00 0.00 C ATOM 4 O MET A 1 -13.649 -12.717 -17.597 1.00 0.00 O ATOM 5 CB MET A 1 -16.441 -11.136 -17.847 1.00 0.00 C ATOM 6 CG MET A 1 -17.283 -10.074 -18.540 1.00 0.00 C ATOM 7 SD MET A 1 -17.317 -8.512 -17.640 1.00 0.00 S ATOM 8 CE MET A 1 -18.285 -8.965 -16.202 1.00 0.00 C ATOM 0 H1 MET A 1 -14.275 -9.370 -19.045 1.00 0.00 H new ATOM 0 H2 MET A 1 -13.397 -10.822 -18.981 1.00 0.00 H new ATOM 0 H3 MET A 1 -14.928 -10.786 -19.715 1.00 0.00 H new ATOM 0 HA MET A 1 -14.945 -9.837 -17.010 1.00 0.00 H new ATOM 0 HB2 MET A 1 -16.471 -12.052 -18.437 1.00 0.00 H new ATOM 0 HB3 MET A 1 -16.887 -11.365 -16.879 1.00 0.00 H new ATOM 0 HG2 MET A 1 -16.890 -9.902 -19.542 1.00 0.00 H new ATOM 0 HG3 MET A 1 -18.302 -10.443 -18.656 1.00 0.00 H new ATOM 0 HE1 MET A 1 -18.559 -8.066 -15.650 1.00 0.00 H new ATOM 0 HE2 MET A 1 -19.189 -9.484 -16.521 1.00 0.00 H new ATOM 0 HE3 MET A 1 -17.697 -9.621 -15.560 1.00 0.00 H new ATOM 20 N ALA A 2 -14.238 -11.822 -15.599 1.00 0.00 N ATOM 21 CA ALA A 2 -13.558 -12.828 -14.771 1.00 0.00 C ATOM 22 C ALA A 2 -12.092 -13.031 -15.183 1.00 0.00 C ATOM 23 O ALA A 2 -11.715 -14.118 -15.628 1.00 0.00 O ATOM 24 CB ALA A 2 -14.310 -14.152 -14.817 1.00 0.00 C ATOM 0 H ALA A 2 -14.720 -11.103 -15.060 1.00 0.00 H new ATOM 0 HA ALA A 2 -13.556 -12.452 -13.748 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -13.793 -14.886 -14.199 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -15.323 -14.009 -14.440 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -14.353 -14.510 -15.846 1.00 0.00 H new ATOM 30 N PRO A 3 -11.247 -11.986 -15.044 1.00 0.00 N ATOM 31 CA PRO A 3 -9.822 -12.060 -15.407 1.00 0.00 C ATOM 32 C PRO A 3 -9.070 -13.128 -14.619 1.00 0.00 C ATOM 33 O PRO A 3 -9.328 -13.341 -13.434 1.00 0.00 O ATOM 34 CB PRO A 3 -9.288 -10.664 -15.059 1.00 0.00 C ATOM 35 CG PRO A 3 -10.494 -9.793 -15.053 1.00 0.00 C ATOM 36 CD PRO A 3 -11.599 -10.654 -14.517 1.00 0.00 C ATOM 0 HA PRO A 3 -9.688 -12.335 -16.453 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -8.791 -10.660 -14.089 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -8.557 -10.325 -15.793 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -10.341 -8.914 -14.427 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -10.726 -9.434 -16.056 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -11.630 -10.643 -13.427 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -12.577 -10.324 -14.867 1.00 0.00 H new ATOM 44 N LEU A 4 -8.129 -13.789 -15.285 1.00 0.00 N ATOM 45 CA LEU A 4 -7.343 -14.843 -14.654 1.00 0.00 C ATOM 46 C LEU A 4 -6.087 -14.269 -14.002 1.00 0.00 C ATOM 47 O LEU A 4 -5.389 -14.961 -13.257 1.00 0.00 O ATOM 48 CB LEU A 4 -6.959 -15.902 -15.689 1.00 0.00 C ATOM 49 CG LEU A 4 -8.137 -16.532 -16.438 1.00 0.00 C ATOM 50 CD1 LEU A 4 -7.646 -17.572 -17.432 1.00 0.00 C ATOM 51 CD2 LEU A 4 -9.134 -17.142 -15.465 1.00 0.00 C ATOM 0 H LEU A 4 -7.892 -13.613 -16.261 1.00 0.00 H new ATOM 0 HA LEU A 4 -7.952 -15.306 -13.877 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -6.285 -15.450 -16.417 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -6.402 -16.693 -15.188 1.00 0.00 H new ATOM 0 HG LEU A 4 -8.647 -15.745 -16.993 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -8.498 -18.008 -17.954 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -6.981 -17.099 -18.155 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -7.106 -18.356 -16.901 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -9.961 -17.583 -16.021 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -8.641 -17.914 -14.875 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -9.516 -16.366 -14.801 1.00 0.00 H new ATOM 63 N ARG A 5 -5.806 -13.003 -14.288 1.00 0.00 N ATOM 64 CA ARG A 5 -4.638 -12.329 -13.734 1.00 0.00 C ATOM 65 C ARG A 5 -4.905 -11.890 -12.298 1.00 0.00 C ATOM 66 O ARG A 5 -6.017 -11.486 -11.961 1.00 0.00 O ATOM 67 CB ARG A 5 -4.258 -11.116 -14.590 1.00 0.00 C ATOM 68 CG ARG A 5 -3.224 -11.418 -15.667 1.00 0.00 C ATOM 69 CD ARG A 5 -3.789 -12.311 -16.761 1.00 0.00 C ATOM 70 NE ARG A 5 -2.901 -12.383 -17.919 1.00 0.00 N ATOM 71 CZ ARG A 5 -3.121 -13.167 -18.971 1.00 0.00 C ATOM 72 NH1 ARG A 5 -4.194 -13.947 -19.009 1.00 0.00 N ATOM 73 NH2 ARG A 5 -2.265 -13.172 -19.986 1.00 0.00 N ATOM 0 H ARG A 5 -6.374 -12.420 -14.903 1.00 0.00 H new ATOM 0 HA ARG A 5 -3.806 -13.034 -13.737 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -5.157 -10.723 -15.064 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -3.871 -10.332 -13.939 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -2.873 -10.484 -16.106 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -2.359 -11.902 -15.214 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -3.950 -13.313 -16.364 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -4.762 -11.932 -17.073 1.00 0.00 H new ATOM 0 HE ARG A 5 -2.065 -11.799 -17.921 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -4.853 -13.946 -18.230 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -4.360 -14.547 -19.817 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -1.439 -12.575 -19.959 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -2.434 -13.773 -20.793 1.00 0.00 H new ATOM 87 N LYS A 6 -3.879 -11.967 -11.455 1.00 0.00 N ATOM 88 CA LYS A 6 -4.016 -11.579 -10.054 1.00 0.00 C ATOM 89 C LYS A 6 -3.762 -10.088 -9.878 1.00 0.00 C ATOM 90 O LYS A 6 -4.030 -9.521 -8.817 1.00 0.00 O ATOM 91 CB LYS A 6 -3.046 -12.381 -9.180 1.00 0.00 C ATOM 92 CG LYS A 6 -3.220 -13.889 -9.298 1.00 0.00 C ATOM 93 CD LYS A 6 -4.608 -14.336 -8.857 1.00 0.00 C ATOM 94 CE LYS A 6 -4.750 -15.848 -8.930 1.00 0.00 C ATOM 95 NZ LYS A 6 -4.635 -16.349 -10.330 1.00 0.00 N ATOM 0 H LYS A 6 -2.948 -12.293 -11.715 1.00 0.00 H new ATOM 0 HA LYS A 6 -5.037 -11.796 -9.741 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -2.024 -12.120 -9.453 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -3.182 -12.089 -8.139 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -3.051 -14.194 -10.331 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -2.467 -14.390 -8.690 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -4.794 -14.000 -7.837 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -5.362 -13.867 -9.489 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -3.983 -16.315 -8.313 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -5.715 -16.143 -8.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -5.484 -16.899 -10.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -4.547 -15.543 -10.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -3.794 -16.955 -10.414 1.00 0.00 H new ATOM 109 N THR A 7 -3.243 -9.458 -10.922 1.00 0.00 N ATOM 110 CA THR A 7 -2.962 -8.033 -10.885 1.00 0.00 C ATOM 111 C THR A 7 -4.154 -7.226 -11.376 1.00 0.00 C ATOM 112 O THR A 7 -4.642 -7.423 -12.490 1.00 0.00 O ATOM 113 CB THR A 7 -1.732 -7.678 -11.742 1.00 0.00 C ATOM 114 OG1 THR A 7 -1.689 -8.514 -12.905 1.00 0.00 O ATOM 115 CG2 THR A 7 -0.445 -7.833 -10.947 1.00 0.00 C ATOM 0 H THR A 7 -3.008 -9.913 -11.804 1.00 0.00 H new ATOM 0 HA THR A 7 -2.756 -7.780 -9.845 1.00 0.00 H new ATOM 0 HB THR A 7 -1.821 -6.635 -12.047 1.00 0.00 H new ATOM 0 HG1 THR A 7 -0.906 -8.282 -13.446 1.00 0.00 H new ATOM 0 HG21 THR A 7 0.406 -7.576 -11.578 1.00 0.00 H new ATOM 0 HG22 THR A 7 -0.469 -7.170 -10.082 1.00 0.00 H new ATOM 0 HG23 THR A 7 -0.348 -8.865 -10.610 1.00 0.00 H new ATOM 123 N ALA A 8 -4.614 -6.317 -10.533 1.00 0.00 N ATOM 124 CA ALA A 8 -5.742 -5.460 -10.861 1.00 0.00 C ATOM 125 C ALA A 8 -5.282 -4.219 -11.609 1.00 0.00 C ATOM 126 O ALA A 8 -4.147 -3.766 -11.444 1.00 0.00 O ATOM 127 CB ALA A 8 -6.492 -5.074 -9.603 1.00 0.00 C ATOM 0 H ALA A 8 -4.219 -6.152 -9.607 1.00 0.00 H new ATOM 0 HA ALA A 8 -6.416 -6.017 -11.513 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -7.334 -4.432 -9.864 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -6.860 -5.973 -9.109 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -5.822 -4.538 -8.930 1.00 0.00 H new ATOM 133 N VAL A 9 -6.170 -3.663 -12.419 1.00 0.00 N ATOM 134 CA VAL A 9 -5.845 -2.480 -13.195 1.00 0.00 C ATOM 135 C VAL A 9 -6.616 -1.272 -12.674 1.00 0.00 C ATOM 136 O VAL A 9 -7.848 -1.265 -12.651 1.00 0.00 O ATOM 137 CB VAL A 9 -6.162 -2.681 -14.692 1.00 0.00 C ATOM 138 CG1 VAL A 9 -5.828 -1.425 -15.496 1.00 0.00 C ATOM 139 CG2 VAL A 9 -5.407 -3.883 -15.243 1.00 0.00 C ATOM 0 H VAL A 9 -7.119 -4.012 -12.555 1.00 0.00 H new ATOM 0 HA VAL A 9 -4.775 -2.305 -13.088 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.231 -2.870 -14.787 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -6.061 -1.593 -16.547 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -6.417 -0.587 -15.124 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.767 -1.197 -15.391 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.644 -4.008 -16.300 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.335 -3.723 -15.128 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -5.701 -4.779 -14.697 1.00 0.00 H new ATOM 149 N LEU A 10 -5.877 -0.256 -12.270 1.00 0.00 N ATOM 150 CA LEU A 10 -6.468 0.969 -11.759 1.00 0.00 C ATOM 151 C LEU A 10 -6.135 2.079 -12.740 1.00 0.00 C ATOM 152 O LEU A 10 -4.963 2.287 -13.063 1.00 0.00 O ATOM 153 CB LEU A 10 -5.919 1.279 -10.359 1.00 0.00 C ATOM 154 CG LEU A 10 -6.526 2.497 -9.646 1.00 0.00 C ATOM 155 CD1 LEU A 10 -8.012 2.289 -9.371 1.00 0.00 C ATOM 156 CD2 LEU A 10 -5.782 2.780 -8.355 1.00 0.00 C ATOM 0 H LEU A 10 -4.857 -0.255 -12.286 1.00 0.00 H new ATOM 0 HA LEU A 10 -7.549 0.870 -11.664 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -6.072 0.402 -9.729 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -4.843 1.430 -10.439 1.00 0.00 H new ATOM 0 HG LEU A 10 -6.423 3.359 -10.305 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -8.415 3.167 -8.866 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -8.539 2.139 -10.313 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -8.145 1.412 -8.737 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -6.225 3.646 -7.862 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -5.852 1.913 -7.698 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -4.734 2.985 -8.576 1.00 0.00 H new ATOM 168 N LYS A 11 -7.139 2.802 -13.219 1.00 0.00 N ATOM 169 CA LYS A 11 -6.884 3.851 -14.193 1.00 0.00 C ATOM 170 C LYS A 11 -7.122 5.230 -13.596 1.00 0.00 C ATOM 171 O LYS A 11 -8.114 5.464 -12.903 1.00 0.00 O ATOM 172 CB LYS A 11 -7.752 3.673 -15.445 1.00 0.00 C ATOM 173 CG LYS A 11 -7.422 2.426 -16.248 1.00 0.00 C ATOM 174 CD LYS A 11 -8.293 2.320 -17.490 1.00 0.00 C ATOM 175 CE LYS A 11 -7.951 1.083 -18.305 1.00 0.00 C ATOM 176 NZ LYS A 11 -8.804 0.965 -19.520 1.00 0.00 N ATOM 0 H LYS A 11 -8.117 2.685 -12.955 1.00 0.00 H new ATOM 0 HA LYS A 11 -5.836 3.771 -14.480 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -8.800 3.635 -15.147 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.634 4.548 -16.085 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -6.372 2.446 -16.539 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -7.564 1.542 -15.626 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -9.343 2.286 -17.198 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -8.162 3.210 -18.105 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -6.902 1.121 -18.600 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -8.076 0.195 -17.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -8.539 0.109 -20.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -9.803 0.903 -19.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -8.666 1.801 -20.124 1.00 0.00 H new ATOM 190 N LEU A 12 -6.193 6.135 -13.869 1.00 0.00 N ATOM 191 CA LEU A 12 -6.287 7.501 -13.387 1.00 0.00 C ATOM 192 C LEU A 12 -6.499 8.429 -14.573 1.00 0.00 C ATOM 193 O LEU A 12 -5.697 8.429 -15.505 1.00 0.00 O ATOM 194 CB LEU A 12 -4.996 7.894 -12.653 1.00 0.00 C ATOM 195 CG LEU A 12 -5.145 8.833 -11.443 1.00 0.00 C ATOM 196 CD1 LEU A 12 -3.880 9.655 -11.259 1.00 0.00 C ATOM 197 CD2 LEU A 12 -6.351 9.752 -11.581 1.00 0.00 C ATOM 0 H LEU A 12 -5.360 5.943 -14.426 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.124 7.583 -12.694 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -4.505 6.981 -12.316 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -4.328 8.369 -13.371 1.00 0.00 H new ATOM 0 HG LEU A 12 -5.305 8.211 -10.563 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -3.997 10.316 -10.400 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.034 8.988 -11.091 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.700 10.251 -12.154 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -6.419 10.398 -10.705 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -6.241 10.365 -12.476 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -7.258 9.153 -11.661 1.00 0.00 H new ATOM 209 N TYR A 13 -7.559 9.216 -14.559 1.00 0.00 N ATOM 210 CA TYR A 13 -7.821 10.133 -15.654 1.00 0.00 C ATOM 211 C TYR A 13 -7.327 11.520 -15.274 1.00 0.00 C ATOM 212 O TYR A 13 -7.762 12.083 -14.267 1.00 0.00 O ATOM 213 CB TYR A 13 -9.323 10.168 -15.946 1.00 0.00 C ATOM 214 CG TYR A 13 -9.878 8.829 -16.388 1.00 0.00 C ATOM 215 CD1 TYR A 13 -10.413 7.938 -15.467 1.00 0.00 C ATOM 216 CD2 TYR A 13 -9.860 8.455 -17.726 1.00 0.00 C ATOM 217 CE1 TYR A 13 -10.913 6.713 -15.864 1.00 0.00 C ATOM 218 CE2 TYR A 13 -10.360 7.230 -18.132 1.00 0.00 C ATOM 219 CZ TYR A 13 -10.885 6.364 -17.197 1.00 0.00 C ATOM 220 OH TYR A 13 -11.384 5.144 -17.593 1.00 0.00 O ATOM 0 H TYR A 13 -8.248 9.240 -13.808 1.00 0.00 H new ATOM 0 HA TYR A 13 -7.297 9.799 -16.549 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -9.853 10.496 -15.052 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -9.518 10.909 -16.722 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -10.439 8.208 -14.422 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -9.449 9.131 -18.461 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -11.324 6.032 -15.133 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -10.339 6.954 -19.176 1.00 0.00 H new ATOM 0 HH TYR A 13 -11.598 5.173 -18.549 1.00 0.00 H new ATOM 230 N VAL A 14 -6.420 12.076 -16.072 1.00 0.00 N ATOM 231 CA VAL A 14 -5.866 13.391 -15.787 1.00 0.00 C ATOM 232 C VAL A 14 -6.056 14.321 -16.978 1.00 0.00 C ATOM 233 O VAL A 14 -6.243 13.863 -18.108 1.00 0.00 O ATOM 234 CB VAL A 14 -4.365 13.303 -15.430 1.00 0.00 C ATOM 235 CG1 VAL A 14 -4.159 12.431 -14.197 1.00 0.00 C ATOM 236 CG2 VAL A 14 -3.552 12.772 -16.604 1.00 0.00 C ATOM 0 H VAL A 14 -6.056 11.637 -16.917 1.00 0.00 H new ATOM 0 HA VAL A 14 -6.402 13.794 -14.928 1.00 0.00 H new ATOM 0 HB VAL A 14 -4.012 14.310 -15.205 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -3.096 12.380 -13.961 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -4.699 12.861 -13.353 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -4.535 11.427 -14.394 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -2.500 12.721 -16.324 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -3.906 11.776 -16.871 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -3.668 13.439 -17.458 1.00 0.00 H new ATOM 246 N ALA A 15 -6.003 15.626 -16.731 1.00 0.00 N ATOM 247 CA ALA A 15 -6.201 16.591 -17.799 1.00 0.00 C ATOM 248 C ALA A 15 -5.054 17.592 -17.910 1.00 0.00 C ATOM 249 O ALA A 15 -5.021 18.584 -17.185 1.00 0.00 O ATOM 250 CB ALA A 15 -7.513 17.334 -17.597 1.00 0.00 C ATOM 0 H ALA A 15 -5.827 16.033 -15.812 1.00 0.00 H new ATOM 0 HA ALA A 15 -6.231 16.028 -18.732 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -7.651 18.055 -18.403 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -8.339 16.622 -17.601 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -7.491 17.858 -16.642 1.00 0.00 H new ATOM 256 N GLY A 16 -4.112 17.325 -18.811 1.00 0.00 N ATOM 257 CA GLY A 16 -3.010 18.258 -19.033 1.00 0.00 C ATOM 258 C GLY A 16 -1.887 18.172 -18.018 1.00 0.00 C ATOM 259 O GLY A 16 -0.983 19.010 -18.038 1.00 0.00 O ATOM 0 H GLY A 16 -4.088 16.486 -19.390 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -2.597 18.080 -20.026 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -3.406 19.273 -19.030 1.00 0.00 H new ATOM 263 N ASN A 17 -1.935 17.174 -17.138 1.00 0.00 N ATOM 264 CA ASN A 17 -0.905 16.991 -16.110 1.00 0.00 C ATOM 265 C ASN A 17 -0.835 18.221 -15.203 1.00 0.00 C ATOM 266 O ASN A 17 0.238 18.763 -14.932 1.00 0.00 O ATOM 267 CB ASN A 17 0.462 16.715 -16.748 1.00 0.00 C ATOM 268 CG ASN A 17 1.425 16.042 -15.789 1.00 0.00 C ATOM 269 OD1 ASN A 17 1.026 15.203 -14.982 1.00 0.00 O ATOM 270 ND2 ASN A 17 2.699 16.404 -15.874 1.00 0.00 N ATOM 0 H ASN A 17 -2.678 16.476 -17.114 1.00 0.00 H new ATOM 0 HA ASN A 17 -1.176 16.126 -15.505 1.00 0.00 H new ATOM 0 HB2 ASN A 17 0.329 16.084 -17.627 1.00 0.00 H new ATOM 0 HB3 ASN A 17 0.895 17.654 -17.093 1.00 0.00 H new ATOM 0 HD21 ASN A 17 3.391 15.982 -15.255 1.00 0.00 H new ATOM 0 HD22 ASN A 17 2.986 17.104 -16.558 1.00 0.00 H new ATOM 277 N THR A 18 -2.008 18.658 -14.762 1.00 0.00 N ATOM 278 CA THR A 18 -2.138 19.807 -13.874 1.00 0.00 C ATOM 279 C THR A 18 -1.652 19.444 -12.477 1.00 0.00 C ATOM 280 O THR A 18 -1.475 18.270 -12.185 1.00 0.00 O ATOM 281 CB THR A 18 -3.603 20.280 -13.807 1.00 0.00 C ATOM 282 OG1 THR A 18 -4.445 19.221 -13.327 1.00 0.00 O ATOM 283 CG2 THR A 18 -4.087 20.748 -15.170 1.00 0.00 C ATOM 0 H THR A 18 -2.898 18.225 -15.010 1.00 0.00 H new ATOM 0 HA THR A 18 -1.527 20.618 -14.270 1.00 0.00 H new ATOM 0 HB THR A 18 -3.655 21.121 -13.116 1.00 0.00 H new ATOM 0 HG1 THR A 18 -5.373 19.533 -13.287 1.00 0.00 H new ATOM 0 HG21 THR A 18 -5.124 21.076 -15.095 1.00 0.00 H new ATOM 0 HG22 THR A 18 -3.467 21.577 -15.511 1.00 0.00 H new ATOM 0 HG23 THR A 18 -4.018 19.926 -15.883 1.00 0.00 H new ATOM 291 N PRO A 19 -1.413 20.435 -11.596 1.00 0.00 N ATOM 292 CA PRO A 19 -0.930 20.169 -10.230 1.00 0.00 C ATOM 293 C PRO A 19 -1.786 19.144 -9.485 1.00 0.00 C ATOM 294 O PRO A 19 -1.253 18.327 -8.739 1.00 0.00 O ATOM 295 CB PRO A 19 -0.985 21.549 -9.569 1.00 0.00 C ATOM 296 CG PRO A 19 -0.805 22.494 -10.707 1.00 0.00 C ATOM 297 CD PRO A 19 -1.560 21.883 -11.850 1.00 0.00 C ATOM 0 HA PRO A 19 0.066 19.725 -10.221 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -1.935 21.712 -9.060 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -0.199 21.667 -8.823 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -1.193 23.483 -10.463 1.00 0.00 H new ATOM 0 HG3 PRO A 19 0.250 22.617 -10.953 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -2.606 22.190 -11.855 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -1.139 22.170 -12.814 1.00 0.00 H new ATOM 305 N ASN A 20 -3.105 19.185 -9.684 1.00 0.00 N ATOM 306 CA ASN A 20 -3.990 18.206 -9.037 1.00 0.00 C ATOM 307 C ASN A 20 -3.666 16.811 -9.574 1.00 0.00 C ATOM 308 O ASN A 20 -3.564 15.842 -8.822 1.00 0.00 O ATOM 309 CB ASN A 20 -5.473 18.521 -9.296 1.00 0.00 C ATOM 310 CG ASN A 20 -5.913 19.819 -8.646 1.00 0.00 C ATOM 311 OD1 ASN A 20 -6.246 20.784 -9.330 1.00 0.00 O ATOM 312 ND2 ASN A 20 -5.922 19.846 -7.320 1.00 0.00 N ATOM 0 H ASN A 20 -3.579 19.869 -10.274 1.00 0.00 H new ATOM 0 HA ASN A 20 -3.822 18.252 -7.961 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -5.646 18.579 -10.371 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -6.086 17.703 -8.918 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -6.213 20.691 -6.829 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -5.638 19.021 -6.791 1.00 0.00 H new ATOM 319 N SER A 21 -3.509 16.744 -10.897 1.00 0.00 N ATOM 320 CA SER A 21 -3.151 15.513 -11.606 1.00 0.00 C ATOM 321 C SER A 21 -1.752 15.044 -11.222 1.00 0.00 C ATOM 322 O SER A 21 -1.539 13.857 -10.994 1.00 0.00 O ATOM 323 CB SER A 21 -3.214 15.754 -13.114 1.00 0.00 C ATOM 324 OG SER A 21 -4.533 16.062 -13.534 1.00 0.00 O ATOM 0 H SER A 21 -3.628 17.549 -11.512 1.00 0.00 H new ATOM 0 HA SER A 21 -3.862 14.736 -11.324 1.00 0.00 H new ATOM 0 HB2 SER A 21 -2.545 16.572 -13.382 1.00 0.00 H new ATOM 0 HB3 SER A 21 -2.860 14.868 -13.641 1.00 0.00 H new ATOM 0 HG SER A 21 -4.662 17.033 -13.520 1.00 0.00 H new ATOM 330 N VAL A 22 -0.810 15.977 -11.152 1.00 0.00 N ATOM 331 CA VAL A 22 0.561 15.647 -10.779 1.00 0.00 C ATOM 332 C VAL A 22 0.600 15.124 -9.350 1.00 0.00 C ATOM 333 O VAL A 22 1.241 14.112 -9.063 1.00 0.00 O ATOM 334 CB VAL A 22 1.501 16.866 -10.917 1.00 0.00 C ATOM 335 CG1 VAL A 22 2.856 16.589 -10.280 1.00 0.00 C ATOM 336 CG2 VAL A 22 1.666 17.249 -12.380 1.00 0.00 C ATOM 0 H VAL A 22 -0.969 16.965 -11.348 1.00 0.00 H new ATOM 0 HA VAL A 22 0.913 14.874 -11.462 1.00 0.00 H new ATOM 0 HB VAL A 22 1.046 17.704 -10.388 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.496 17.464 -10.392 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.722 16.371 -9.220 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.321 15.734 -10.771 1.00 0.00 H new ATOM 0 HG21 VAL A 22 2.331 18.109 -12.458 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.092 16.410 -12.930 1.00 0.00 H new ATOM 0 HG23 VAL A 22 0.693 17.503 -12.802 1.00 0.00 H new ATOM 346 N ARG A 23 -0.112 15.814 -8.470 1.00 0.00 N ATOM 347 CA ARG A 23 -0.181 15.441 -7.067 1.00 0.00 C ATOM 348 C ARG A 23 -0.791 14.060 -6.921 1.00 0.00 C ATOM 349 O ARG A 23 -0.263 13.204 -6.212 1.00 0.00 O ATOM 350 CB ARG A 23 -1.056 16.440 -6.326 1.00 0.00 C ATOM 351 CG ARG A 23 -0.743 16.576 -4.849 1.00 0.00 C ATOM 352 CD ARG A 23 0.095 17.814 -4.584 1.00 0.00 C ATOM 353 NE ARG A 23 0.350 18.010 -3.159 1.00 0.00 N ATOM 354 CZ ARG A 23 1.074 19.011 -2.669 1.00 0.00 C ATOM 355 NH1 ARG A 23 1.613 19.906 -3.489 1.00 0.00 N ATOM 356 NH2 ARG A 23 1.260 19.117 -1.360 1.00 0.00 N ATOM 0 H ARG A 23 -0.655 16.644 -8.708 1.00 0.00 H new ATOM 0 HA ARG A 23 0.827 15.438 -6.653 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -0.950 17.417 -6.798 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -2.099 16.143 -6.438 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -1.671 16.632 -4.280 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -0.210 15.690 -4.503 1.00 0.00 H new ATOM 0 HD2 ARG A 23 1.044 17.729 -5.113 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -0.416 18.690 -4.984 1.00 0.00 H new ATOM 0 HE ARG A 23 -0.051 17.340 -2.502 1.00 0.00 H new ATOM 0 HH11 ARG A 23 1.471 19.826 -4.496 1.00 0.00 H new ATOM 0 HH12 ARG A 23 2.168 20.674 -3.112 1.00 0.00 H new ATOM 0 HH21 ARG A 23 0.847 18.430 -0.729 1.00 0.00 H new ATOM 0 HH22 ARG A 23 1.816 19.885 -0.984 1.00 0.00 H new ATOM 370 N ALA A 24 -1.909 13.853 -7.613 1.00 0.00 N ATOM 371 CA ALA A 24 -2.610 12.577 -7.565 1.00 0.00 C ATOM 372 C ALA A 24 -1.743 11.448 -8.119 1.00 0.00 C ATOM 373 O ALA A 24 -1.684 10.358 -7.549 1.00 0.00 O ATOM 374 CB ALA A 24 -3.921 12.661 -8.335 1.00 0.00 C ATOM 0 H ALA A 24 -2.347 14.553 -8.212 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.828 12.354 -6.520 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.432 11.699 -8.289 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.554 13.430 -7.893 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.716 12.914 -9.375 1.00 0.00 H new ATOM 380 N LEU A 25 -1.071 11.729 -9.235 1.00 0.00 N ATOM 381 CA LEU A 25 -0.190 10.759 -9.884 1.00 0.00 C ATOM 382 C LEU A 25 0.964 10.357 -8.969 1.00 0.00 C ATOM 383 O LEU A 25 1.248 9.170 -8.804 1.00 0.00 O ATOM 384 CB LEU A 25 0.351 11.340 -11.197 1.00 0.00 C ATOM 385 CG LEU A 25 1.356 10.465 -11.947 1.00 0.00 C ATOM 386 CD1 LEU A 25 0.733 9.132 -12.331 1.00 0.00 C ATOM 387 CD2 LEU A 25 1.869 11.188 -13.184 1.00 0.00 C ATOM 0 H LEU A 25 -1.121 12.629 -9.712 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.772 9.863 -10.100 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.492 11.541 -11.858 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.822 12.299 -10.981 1.00 0.00 H new ATOM 0 HG LEU A 25 2.198 10.268 -11.284 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.467 8.527 -12.863 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.414 8.607 -11.431 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.129 9.305 -12.975 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.583 10.552 -13.707 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.033 11.415 -13.846 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.359 12.115 -12.887 1.00 0.00 H new ATOM 399 N LYS A 26 1.617 11.349 -8.371 1.00 0.00 N ATOM 400 CA LYS A 26 2.736 11.098 -7.467 1.00 0.00 C ATOM 401 C LYS A 26 2.275 10.321 -6.237 1.00 0.00 C ATOM 402 O LYS A 26 2.965 9.417 -5.765 1.00 0.00 O ATOM 403 CB LYS A 26 3.377 12.425 -7.058 1.00 0.00 C ATOM 404 CG LYS A 26 4.159 13.083 -8.185 1.00 0.00 C ATOM 405 CD LYS A 26 4.456 14.547 -7.895 1.00 0.00 C ATOM 406 CE LYS A 26 5.405 14.720 -6.724 1.00 0.00 C ATOM 407 NZ LYS A 26 6.755 14.162 -7.013 1.00 0.00 N ATOM 0 H LYS A 26 1.391 12.336 -8.496 1.00 0.00 H new ATOM 0 HA LYS A 26 3.478 10.492 -7.986 1.00 0.00 H new ATOM 0 HB2 LYS A 26 2.599 13.108 -6.717 1.00 0.00 H new ATOM 0 HB3 LYS A 26 4.044 12.254 -6.213 1.00 0.00 H new ATOM 0 HG2 LYS A 26 5.096 12.547 -8.337 1.00 0.00 H new ATOM 0 HG3 LYS A 26 3.592 13.005 -9.113 1.00 0.00 H new ATOM 0 HD2 LYS A 26 4.888 15.011 -8.782 1.00 0.00 H new ATOM 0 HD3 LYS A 26 3.523 15.070 -7.684 1.00 0.00 H new ATOM 0 HE2 LYS A 26 5.494 15.779 -6.483 1.00 0.00 H new ATOM 0 HE3 LYS A 26 4.990 14.227 -5.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 7.424 14.476 -6.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 6.708 13.123 -7.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 7.077 14.497 -7.943 1.00 0.00 H new ATOM 421 N THR A 27 1.099 10.682 -5.730 1.00 0.00 N ATOM 422 CA THR A 27 0.512 10.030 -4.564 1.00 0.00 C ATOM 423 C THR A 27 0.181 8.562 -4.857 1.00 0.00 C ATOM 424 O THR A 27 0.508 7.676 -4.067 1.00 0.00 O ATOM 425 CB THR A 27 -0.760 10.789 -4.130 1.00 0.00 C ATOM 426 OG1 THR A 27 -0.425 12.142 -3.801 1.00 0.00 O ATOM 427 CG2 THR A 27 -1.428 10.146 -2.932 1.00 0.00 C ATOM 0 H THR A 27 0.527 11.434 -6.116 1.00 0.00 H new ATOM 0 HA THR A 27 1.241 10.052 -3.754 1.00 0.00 H new ATOM 0 HB THR A 27 -1.458 10.757 -4.966 1.00 0.00 H new ATOM 0 HG1 THR A 27 -0.608 12.721 -4.570 1.00 0.00 H new ATOM 0 HG21 THR A 27 -2.318 10.715 -2.663 1.00 0.00 H new ATOM 0 HG22 THR A 27 -1.712 9.123 -3.179 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.735 10.137 -2.090 1.00 0.00 H new ATOM 435 N LEU A 28 -0.451 8.310 -6.002 1.00 0.00 N ATOM 436 CA LEU A 28 -0.833 6.951 -6.390 1.00 0.00 C ATOM 437 C LEU A 28 0.362 6.077 -6.748 1.00 0.00 C ATOM 438 O LEU A 28 0.461 4.943 -6.281 1.00 0.00 O ATOM 439 CB LEU A 28 -1.794 6.985 -7.579 1.00 0.00 C ATOM 440 CG LEU A 28 -3.276 7.026 -7.219 1.00 0.00 C ATOM 441 CD1 LEU A 28 -4.079 7.607 -8.365 1.00 0.00 C ATOM 442 CD2 LEU A 28 -3.775 5.630 -6.876 1.00 0.00 C ATOM 0 H LEU A 28 -0.710 9.028 -6.678 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.319 6.512 -5.519 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.561 7.858 -8.189 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.612 6.106 -8.198 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.405 7.665 -6.345 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.135 7.630 -8.095 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.735 8.620 -8.573 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.946 6.989 -9.253 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.834 5.675 -6.621 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.636 4.973 -7.734 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.213 5.241 -6.026 1.00 0.00 H new ATOM 454 N ALA A 29 1.272 6.604 -7.566 1.00 0.00 N ATOM 455 CA ALA A 29 2.433 5.838 -8.006 1.00 0.00 C ATOM 456 C ALA A 29 3.322 5.405 -6.846 1.00 0.00 C ATOM 457 O ALA A 29 3.762 4.266 -6.806 1.00 0.00 O ATOM 458 CB ALA A 29 3.234 6.633 -9.025 1.00 0.00 C ATOM 0 H ALA A 29 1.227 7.554 -7.935 1.00 0.00 H new ATOM 0 HA ALA A 29 2.058 4.928 -8.474 1.00 0.00 H new ATOM 0 HB1 ALA A 29 4.097 6.049 -9.345 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.606 6.855 -9.888 1.00 0.00 H new ATOM 0 HB3 ALA A 29 3.573 7.565 -8.574 1.00 0.00 H new ATOM 464 N ASN A 30 3.561 6.298 -5.893 1.00 0.00 N ATOM 465 CA ASN A 30 4.405 5.967 -4.743 1.00 0.00 C ATOM 466 C ASN A 30 3.789 4.836 -3.921 1.00 0.00 C ATOM 467 O ASN A 30 4.484 3.902 -3.518 1.00 0.00 O ATOM 468 CB ASN A 30 4.624 7.204 -3.866 1.00 0.00 C ATOM 469 CG ASN A 30 5.504 6.920 -2.663 1.00 0.00 C ATOM 470 OD1 ASN A 30 5.012 6.715 -1.553 1.00 0.00 O ATOM 471 ND2 ASN A 30 6.813 6.904 -2.876 1.00 0.00 N ATOM 0 H ASN A 30 3.189 7.248 -5.889 1.00 0.00 H new ATOM 0 HA ASN A 30 5.371 5.629 -5.118 1.00 0.00 H new ATOM 0 HB2 ASN A 30 5.078 7.993 -4.465 1.00 0.00 H new ATOM 0 HB3 ASN A 30 3.659 7.578 -3.525 1.00 0.00 H new ATOM 0 HD21 ASN A 30 7.453 6.717 -2.104 1.00 0.00 H new ATOM 0 HD22 ASN A 30 7.180 7.079 -3.812 1.00 0.00 H new ATOM 478 N ILE A 31 2.487 4.927 -3.681 1.00 0.00 N ATOM 479 CA ILE A 31 1.779 3.908 -2.923 1.00 0.00 C ATOM 480 C ILE A 31 1.806 2.565 -3.651 1.00 0.00 C ATOM 481 O ILE A 31 2.078 1.520 -3.065 1.00 0.00 O ATOM 482 CB ILE A 31 0.326 4.340 -2.655 1.00 0.00 C ATOM 483 CG1 ILE A 31 0.328 5.477 -1.643 1.00 0.00 C ATOM 484 CG2 ILE A 31 -0.532 3.179 -2.169 1.00 0.00 C ATOM 485 CD1 ILE A 31 -1.012 6.139 -1.494 1.00 0.00 C ATOM 0 H ILE A 31 1.901 5.698 -4.002 1.00 0.00 H new ATOM 0 HA ILE A 31 2.289 3.789 -1.967 1.00 0.00 H new ATOM 0 HB ILE A 31 -0.115 4.682 -3.591 1.00 0.00 H new ATOM 0 HG12 ILE A 31 0.645 5.092 -0.674 1.00 0.00 H new ATOM 0 HG13 ILE A 31 1.063 6.223 -1.946 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.549 3.528 -1.992 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -0.544 2.394 -2.925 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -0.118 2.784 -1.242 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -0.942 6.940 -0.758 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -1.322 6.553 -2.453 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -1.746 5.405 -1.162 1.00 0.00 H new ATOM 497 N LEU A 32 1.528 2.618 -4.944 1.00 0.00 N ATOM 498 CA LEU A 32 1.491 1.433 -5.787 1.00 0.00 C ATOM 499 C LEU A 32 2.875 0.811 -6.022 1.00 0.00 C ATOM 500 O LEU A 32 2.984 -0.400 -6.178 1.00 0.00 O ATOM 501 CB LEU A 32 0.810 1.775 -7.111 1.00 0.00 C ATOM 502 CG LEU A 32 -0.690 2.072 -6.985 1.00 0.00 C ATOM 503 CD1 LEU A 32 -1.246 2.617 -8.288 1.00 0.00 C ATOM 504 CD2 LEU A 32 -1.437 0.821 -6.572 1.00 0.00 C ATOM 0 H LEU A 32 1.321 3.485 -5.440 1.00 0.00 H new ATOM 0 HA LEU A 32 0.914 0.674 -5.259 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.306 2.641 -7.549 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.948 0.945 -7.804 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.826 2.833 -6.216 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.311 2.819 -8.173 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.727 3.540 -8.547 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.100 1.884 -9.081 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.500 1.044 -6.486 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.289 0.044 -7.322 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.060 0.473 -5.610 1.00 0.00 H new ATOM 516 N GLU A 33 3.924 1.632 -6.069 1.00 0.00 N ATOM 517 CA GLU A 33 5.280 1.118 -6.304 1.00 0.00 C ATOM 518 C GLU A 33 5.951 0.626 -5.021 1.00 0.00 C ATOM 519 O GLU A 33 7.014 0.013 -5.077 1.00 0.00 O ATOM 520 CB GLU A 33 6.174 2.187 -6.944 1.00 0.00 C ATOM 521 CG GLU A 33 5.673 2.696 -8.283 1.00 0.00 C ATOM 522 CD GLU A 33 6.654 3.639 -8.952 1.00 0.00 C ATOM 523 OE1 GLU A 33 7.793 3.211 -9.232 1.00 0.00 O ATOM 524 OE2 GLU A 33 6.281 4.807 -9.197 1.00 0.00 O ATOM 0 H GLU A 33 3.867 2.643 -5.950 1.00 0.00 H new ATOM 0 HA GLU A 33 5.165 0.272 -6.982 1.00 0.00 H new ATOM 0 HB2 GLU A 33 6.262 3.029 -6.258 1.00 0.00 H new ATOM 0 HB3 GLU A 33 7.175 1.776 -7.075 1.00 0.00 H new ATOM 0 HG2 GLU A 33 5.483 1.849 -8.942 1.00 0.00 H new ATOM 0 HG3 GLU A 33 4.722 3.209 -8.140 1.00 0.00 H new ATOM 531 N LYS A 34 5.351 0.902 -3.869 1.00 0.00 N ATOM 532 CA LYS A 34 5.945 0.475 -2.605 1.00 0.00 C ATOM 533 C LYS A 34 4.973 -0.342 -1.757 1.00 0.00 C ATOM 534 O LYS A 34 5.221 -1.512 -1.466 1.00 0.00 O ATOM 535 CB LYS A 34 6.432 1.693 -1.814 1.00 0.00 C ATOM 536 CG LYS A 34 7.572 1.386 -0.855 1.00 0.00 C ATOM 537 CD LYS A 34 8.904 1.292 -1.583 1.00 0.00 C ATOM 538 CE LYS A 34 10.008 0.796 -0.663 1.00 0.00 C ATOM 539 NZ LYS A 34 10.229 1.714 0.487 1.00 0.00 N ATOM 0 H LYS A 34 4.471 1.410 -3.782 1.00 0.00 H new ATOM 0 HA LYS A 34 6.791 -0.169 -2.846 1.00 0.00 H new ATOM 0 HB2 LYS A 34 6.756 2.463 -2.514 1.00 0.00 H new ATOM 0 HB3 LYS A 34 5.596 2.106 -1.250 1.00 0.00 H new ATOM 0 HG2 LYS A 34 7.627 2.163 -0.093 1.00 0.00 H new ATOM 0 HG3 LYS A 34 7.371 0.447 -0.339 1.00 0.00 H new ATOM 0 HD2 LYS A 34 8.808 0.618 -2.434 1.00 0.00 H new ATOM 0 HD3 LYS A 34 9.172 2.271 -1.980 1.00 0.00 H new ATOM 0 HE2 LYS A 34 9.752 -0.196 -0.291 1.00 0.00 H new ATOM 0 HE3 LYS A 34 10.934 0.695 -1.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 11.055 1.395 1.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 10.399 2.678 0.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 9.388 1.712 1.099 1.00 0.00 H new ATOM 553 N GLU A 35 3.866 0.284 -1.368 1.00 0.00 N ATOM 554 CA GLU A 35 2.857 -0.359 -0.528 1.00 0.00 C ATOM 555 C GLU A 35 2.194 -1.557 -1.212 1.00 0.00 C ATOM 556 O GLU A 35 1.976 -2.593 -0.585 1.00 0.00 O ATOM 557 CB GLU A 35 1.789 0.669 -0.132 1.00 0.00 C ATOM 558 CG GLU A 35 2.282 1.721 0.851 1.00 0.00 C ATOM 559 CD GLU A 35 2.766 1.125 2.159 1.00 0.00 C ATOM 560 OE1 GLU A 35 2.028 0.310 2.751 1.00 0.00 O ATOM 561 OE2 GLU A 35 3.885 1.472 2.589 1.00 0.00 O ATOM 0 H GLU A 35 3.643 1.246 -1.624 1.00 0.00 H new ATOM 0 HA GLU A 35 3.366 -0.739 0.358 1.00 0.00 H new ATOM 0 HB2 GLU A 35 1.427 1.167 -1.031 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.939 0.146 0.307 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.093 2.287 0.393 1.00 0.00 H new ATOM 0 HG3 GLU A 35 1.476 2.426 1.055 1.00 0.00 H new ATOM 568 N PHE A 36 1.870 -1.416 -2.492 1.00 0.00 N ATOM 569 CA PHE A 36 1.206 -2.490 -3.232 1.00 0.00 C ATOM 570 C PHE A 36 1.978 -2.898 -4.483 1.00 0.00 C ATOM 571 O PHE A 36 1.379 -3.294 -5.489 1.00 0.00 O ATOM 572 CB PHE A 36 -0.224 -2.078 -3.588 1.00 0.00 C ATOM 573 CG PHE A 36 -1.095 -1.890 -2.377 1.00 0.00 C ATOM 574 CD1 PHE A 36 -1.230 -0.642 -1.789 1.00 0.00 C ATOM 575 CD2 PHE A 36 -1.769 -2.965 -1.819 1.00 0.00 C ATOM 576 CE1 PHE A 36 -2.019 -0.470 -0.668 1.00 0.00 C ATOM 577 CE2 PHE A 36 -2.559 -2.798 -0.699 1.00 0.00 C ATOM 578 CZ PHE A 36 -2.683 -1.549 -0.123 1.00 0.00 C ATOM 0 H PHE A 36 2.054 -0.575 -3.039 1.00 0.00 H new ATOM 0 HA PHE A 36 1.176 -3.364 -2.582 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -0.198 -1.150 -4.159 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -0.666 -2.837 -4.233 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.712 0.206 -2.212 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -1.675 -3.944 -2.265 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -2.116 0.508 -0.219 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -3.079 -3.643 -0.274 1.00 0.00 H new ATOM 0 HZ PHE A 36 -3.300 -1.417 0.754 1.00 0.00 H new ATOM 588 N LYS A 37 3.304 -2.781 -4.426 1.00 0.00 N ATOM 589 CA LYS A 37 4.161 -3.133 -5.558 1.00 0.00 C ATOM 590 C LYS A 37 3.936 -4.576 -6.010 1.00 0.00 C ATOM 591 O LYS A 37 3.985 -5.507 -5.207 1.00 0.00 O ATOM 592 CB LYS A 37 5.634 -2.935 -5.189 1.00 0.00 C ATOM 593 CG LYS A 37 6.599 -3.233 -6.328 1.00 0.00 C ATOM 594 CD LYS A 37 8.044 -3.002 -5.913 1.00 0.00 C ATOM 595 CE LYS A 37 9.005 -3.306 -7.051 1.00 0.00 C ATOM 596 NZ LYS A 37 10.422 -3.072 -6.660 1.00 0.00 N ATOM 0 H LYS A 37 3.809 -2.444 -3.606 1.00 0.00 H new ATOM 0 HA LYS A 37 3.898 -2.473 -6.385 1.00 0.00 H new ATOM 0 HB2 LYS A 37 5.781 -1.906 -4.860 1.00 0.00 H new ATOM 0 HB3 LYS A 37 5.876 -3.578 -4.343 1.00 0.00 H new ATOM 0 HG2 LYS A 37 6.473 -4.266 -6.651 1.00 0.00 H new ATOM 0 HG3 LYS A 37 6.360 -2.601 -7.183 1.00 0.00 H new ATOM 0 HD2 LYS A 37 8.171 -1.967 -5.594 1.00 0.00 H new ATOM 0 HD3 LYS A 37 8.283 -3.631 -5.056 1.00 0.00 H new ATOM 0 HE2 LYS A 37 8.881 -4.343 -7.363 1.00 0.00 H new ATOM 0 HE3 LYS A 37 8.758 -2.683 -7.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 11.045 -3.291 -7.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 10.547 -2.076 -6.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 10.666 -3.685 -5.856 1.00 0.00 H new ATOM 610 N GLY A 38 3.691 -4.745 -7.308 1.00 0.00 N ATOM 611 CA GLY A 38 3.476 -6.067 -7.869 1.00 0.00 C ATOM 612 C GLY A 38 2.048 -6.566 -7.724 1.00 0.00 C ATOM 613 O GLY A 38 1.733 -7.671 -8.163 1.00 0.00 O ATOM 0 H GLY A 38 3.638 -3.983 -7.984 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.741 -6.051 -8.926 1.00 0.00 H new ATOM 0 HA3 GLY A 38 4.149 -6.773 -7.383 1.00 0.00 H new ATOM 617 N VAL A 39 1.180 -5.764 -7.114 1.00 0.00 N ATOM 618 CA VAL A 39 -0.211 -6.167 -6.935 1.00 0.00 C ATOM 619 C VAL A 39 -1.152 -5.347 -7.816 1.00 0.00 C ATOM 620 O VAL A 39 -2.049 -5.899 -8.460 1.00 0.00 O ATOM 621 CB VAL A 39 -0.659 -6.056 -5.460 1.00 0.00 C ATOM 622 CG1 VAL A 39 -2.099 -6.529 -5.292 1.00 0.00 C ATOM 623 CG2 VAL A 39 0.273 -6.850 -4.555 1.00 0.00 C ATOM 0 H VAL A 39 1.411 -4.844 -6.740 1.00 0.00 H new ATOM 0 HA VAL A 39 -0.267 -7.213 -7.237 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.610 -5.006 -5.170 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -2.391 -6.441 -4.246 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -2.758 -5.914 -5.905 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -2.179 -7.570 -5.605 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.059 -6.759 -3.521 1.00 0.00 H new ATOM 0 HG22 VAL A 39 0.259 -7.899 -4.850 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.287 -6.461 -4.646 1.00 0.00 H new ATOM 633 N TYR A 40 -0.953 -4.033 -7.858 1.00 0.00 N ATOM 634 CA TYR A 40 -1.826 -3.180 -8.660 1.00 0.00 C ATOM 635 C TYR A 40 -1.072 -2.540 -9.822 1.00 0.00 C ATOM 636 O TYR A 40 0.088 -2.149 -9.684 1.00 0.00 O ATOM 637 CB TYR A 40 -2.435 -2.082 -7.790 1.00 0.00 C ATOM 638 CG TYR A 40 -3.934 -2.109 -7.628 1.00 0.00 C ATOM 639 CD1 TYR A 40 -4.508 -2.413 -6.400 1.00 0.00 C ATOM 640 CD2 TYR A 40 -4.773 -1.785 -8.684 1.00 0.00 C ATOM 641 CE1 TYR A 40 -5.877 -2.391 -6.232 1.00 0.00 C ATOM 642 CE2 TYR A 40 -6.145 -1.770 -8.524 1.00 0.00 C ATOM 643 CZ TYR A 40 -6.689 -2.071 -7.296 1.00 0.00 C ATOM 644 OH TYR A 40 -8.050 -2.042 -7.129 1.00 0.00 O ATOM 0 H TYR A 40 -0.211 -3.543 -7.358 1.00 0.00 H new ATOM 0 HA TYR A 40 -2.616 -3.811 -9.067 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -1.983 -2.141 -6.800 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -2.154 -1.117 -8.212 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -3.873 -2.670 -5.565 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -4.347 -1.541 -9.646 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -6.309 -2.624 -5.270 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -6.787 -1.524 -9.357 1.00 0.00 H new ATOM 0 HH TYR A 40 -8.405 -1.199 -7.480 1.00 0.00 H new ATOM 654 N ALA A 41 -1.744 -2.433 -10.963 1.00 0.00 N ATOM 655 CA ALA A 41 -1.162 -1.802 -12.138 1.00 0.00 C ATOM 656 C ALA A 41 -1.794 -0.427 -12.343 1.00 0.00 C ATOM 657 O ALA A 41 -3.020 -0.309 -12.410 1.00 0.00 O ATOM 658 CB ALA A 41 -1.364 -2.677 -13.367 1.00 0.00 C ATOM 0 H ALA A 41 -2.695 -2.777 -11.098 1.00 0.00 H new ATOM 0 HA ALA A 41 -0.090 -1.680 -11.986 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -0.923 -2.190 -14.237 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -0.884 -3.643 -13.209 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -2.430 -2.826 -13.537 1.00 0.00 H new ATOM 664 N LEU A 42 -0.966 0.610 -12.439 1.00 0.00 N ATOM 665 CA LEU A 42 -1.475 1.970 -12.612 1.00 0.00 C ATOM 666 C LEU A 42 -1.479 2.377 -14.083 1.00 0.00 C ATOM 667 O LEU A 42 -0.455 2.316 -14.764 1.00 0.00 O ATOM 668 CB LEU A 42 -0.643 2.957 -11.779 1.00 0.00 C ATOM 669 CG LEU A 42 -1.077 4.429 -11.851 1.00 0.00 C ATOM 670 CD1 LEU A 42 -2.504 4.599 -11.347 1.00 0.00 C ATOM 671 CD2 LEU A 42 -0.126 5.300 -11.042 1.00 0.00 C ATOM 0 H LEU A 42 0.051 0.538 -12.401 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.506 1.994 -12.259 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.675 2.640 -10.737 1.00 0.00 H new ATOM 0 HB3 LEU A 42 0.396 2.889 -12.101 1.00 0.00 H new ATOM 0 HG LEU A 42 -1.043 4.744 -12.894 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.789 5.649 -11.408 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.180 4.004 -11.961 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -2.566 4.266 -10.311 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.445 6.340 -11.102 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.134 4.977 -10.001 1.00 0.00 H new ATOM 0 HD23 LEU A 42 0.883 5.207 -11.443 1.00 0.00 H new ATOM 683 N LYS A 43 -2.649 2.792 -14.557 1.00 0.00 N ATOM 684 CA LYS A 43 -2.827 3.217 -15.934 1.00 0.00 C ATOM 685 C LYS A 43 -3.418 4.617 -15.961 1.00 0.00 C ATOM 686 O LYS A 43 -4.554 4.834 -15.561 1.00 0.00 O ATOM 687 CB LYS A 43 -3.739 2.249 -16.689 1.00 0.00 C ATOM 688 CG LYS A 43 -3.028 1.430 -17.751 1.00 0.00 C ATOM 689 CD LYS A 43 -2.549 0.095 -17.208 1.00 0.00 C ATOM 690 CE LYS A 43 -2.219 -0.869 -18.336 1.00 0.00 C ATOM 691 NZ LYS A 43 -0.991 -0.464 -19.073 1.00 0.00 N ATOM 0 H LYS A 43 -3.498 2.842 -13.995 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.855 3.222 -16.426 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -4.204 1.571 -15.973 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.543 2.816 -17.160 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.702 1.260 -18.591 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.177 1.993 -18.135 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.667 0.247 -16.586 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -3.318 -0.338 -16.569 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.084 -1.871 -17.929 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.059 -0.917 -19.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -0.801 -1.147 -19.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.129 0.482 -19.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -0.184 -0.443 -18.417 1.00 0.00 H new ATOM 705 N VAL A 44 -2.633 5.563 -16.433 1.00 0.00 N ATOM 706 CA VAL A 44 -3.056 6.952 -16.508 1.00 0.00 C ATOM 707 C VAL A 44 -3.532 7.303 -17.910 1.00 0.00 C ATOM 708 O VAL A 44 -2.847 7.056 -18.904 1.00 0.00 O ATOM 709 CB VAL A 44 -1.906 7.879 -16.070 1.00 0.00 C ATOM 710 CG1 VAL A 44 -2.271 9.345 -16.248 1.00 0.00 C ATOM 711 CG2 VAL A 44 -1.530 7.596 -14.624 1.00 0.00 C ATOM 0 H VAL A 44 -1.687 5.395 -16.775 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.896 7.095 -15.829 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.047 7.675 -16.709 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.436 9.969 -15.929 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -2.490 9.541 -17.298 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -3.149 9.577 -15.645 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -0.716 8.256 -14.324 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.394 7.770 -13.983 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.210 6.559 -14.528 1.00 0.00 H new ATOM 721 N ILE A 45 -4.725 7.881 -17.964 1.00 0.00 N ATOM 722 CA ILE A 45 -5.363 8.254 -19.208 1.00 0.00 C ATOM 723 C ILE A 45 -5.418 9.774 -19.328 1.00 0.00 C ATOM 724 O ILE A 45 -6.057 10.441 -18.509 1.00 0.00 O ATOM 725 CB ILE A 45 -6.806 7.696 -19.230 1.00 0.00 C ATOM 726 CG1 ILE A 45 -6.809 6.188 -18.935 1.00 0.00 C ATOM 727 CG2 ILE A 45 -7.509 7.985 -20.555 1.00 0.00 C ATOM 728 CD1 ILE A 45 -6.020 5.355 -19.920 1.00 0.00 C ATOM 0 H ILE A 45 -5.277 8.104 -17.136 1.00 0.00 H new ATOM 0 HA ILE A 45 -4.790 7.844 -20.040 1.00 0.00 H new ATOM 0 HB ILE A 45 -7.364 8.208 -18.446 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -6.405 6.025 -17.936 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -7.840 5.835 -18.924 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -8.519 7.576 -20.528 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -7.558 9.062 -20.714 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -6.953 7.523 -21.370 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -6.077 4.304 -19.635 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -6.435 5.483 -20.920 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -4.978 5.676 -19.916 1.00 0.00 H new ATOM 740 N ASP A 46 -4.740 10.329 -20.328 1.00 0.00 N ATOM 741 CA ASP A 46 -4.757 11.772 -20.528 1.00 0.00 C ATOM 742 C ASP A 46 -5.962 12.141 -21.378 1.00 0.00 C ATOM 743 O ASP A 46 -5.961 11.934 -22.594 1.00 0.00 O ATOM 744 CB ASP A 46 -3.473 12.247 -21.207 1.00 0.00 C ATOM 745 CG ASP A 46 -3.325 13.756 -21.152 1.00 0.00 C ATOM 746 OD1 ASP A 46 -4.095 14.458 -21.840 1.00 0.00 O ATOM 747 OD2 ASP A 46 -2.447 14.238 -20.407 1.00 0.00 O ATOM 0 H ASP A 46 -4.180 9.809 -21.003 1.00 0.00 H new ATOM 0 HA ASP A 46 -4.823 12.262 -19.557 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -2.614 11.781 -20.724 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -3.471 11.920 -22.247 1.00 0.00 H new ATOM 752 N VAL A 47 -6.984 12.687 -20.739 1.00 0.00 N ATOM 753 CA VAL A 47 -8.219 13.043 -21.433 1.00 0.00 C ATOM 754 C VAL A 47 -8.062 14.200 -22.435 1.00 0.00 C ATOM 755 O VAL A 47 -8.741 14.215 -23.461 1.00 0.00 O ATOM 756 CB VAL A 47 -9.345 13.366 -20.426 1.00 0.00 C ATOM 757 CG1 VAL A 47 -9.600 12.168 -19.522 1.00 0.00 C ATOM 758 CG2 VAL A 47 -9.012 14.600 -19.600 1.00 0.00 C ATOM 0 H VAL A 47 -6.986 12.895 -19.740 1.00 0.00 H new ATOM 0 HA VAL A 47 -8.487 12.163 -22.017 1.00 0.00 H new ATOM 0 HB VAL A 47 -10.253 13.581 -20.990 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -10.396 12.407 -18.816 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -9.898 11.312 -20.128 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -8.690 11.926 -18.974 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -9.824 14.800 -18.901 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -8.090 14.428 -19.045 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -8.883 15.457 -20.261 1.00 0.00 H new ATOM 768 N LEU A 48 -7.189 15.169 -22.151 1.00 0.00 N ATOM 769 CA LEU A 48 -7.001 16.302 -23.067 1.00 0.00 C ATOM 770 C LEU A 48 -6.294 15.907 -24.366 1.00 0.00 C ATOM 771 O LEU A 48 -6.654 16.395 -25.437 1.00 0.00 O ATOM 772 CB LEU A 48 -6.257 17.460 -22.398 1.00 0.00 C ATOM 773 CG LEU A 48 -7.053 18.212 -21.328 1.00 0.00 C ATOM 774 CD1 LEU A 48 -6.187 19.270 -20.664 1.00 0.00 C ATOM 775 CD2 LEU A 48 -8.298 18.844 -21.931 1.00 0.00 C ATOM 0 H LEU A 48 -6.610 15.196 -21.312 1.00 0.00 H new ATOM 0 HA LEU A 48 -8.006 16.636 -23.327 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -5.345 17.072 -21.944 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.953 18.169 -23.168 1.00 0.00 H new ATOM 0 HG LEU A 48 -7.366 17.496 -20.568 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -6.770 19.794 -19.906 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -5.326 18.794 -20.195 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -5.843 19.982 -21.414 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -8.850 19.374 -21.154 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -8.008 19.546 -22.713 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -8.930 18.066 -22.359 1.00 0.00 H new ATOM 787 N LYS A 49 -5.290 15.038 -24.275 1.00 0.00 N ATOM 788 CA LYS A 49 -4.560 14.603 -25.467 1.00 0.00 C ATOM 789 C LYS A 49 -5.419 13.694 -26.333 1.00 0.00 C ATOM 790 O LYS A 49 -5.346 13.741 -27.561 1.00 0.00 O ATOM 791 CB LYS A 49 -3.248 13.898 -25.109 1.00 0.00 C ATOM 792 CG LYS A 49 -2.188 14.836 -24.551 1.00 0.00 C ATOM 793 CD LYS A 49 -0.825 14.164 -24.478 1.00 0.00 C ATOM 794 CE LYS A 49 -0.783 13.064 -23.430 1.00 0.00 C ATOM 795 NZ LYS A 49 0.569 12.454 -23.318 1.00 0.00 N ATOM 0 H LYS A 49 -4.965 14.625 -23.401 1.00 0.00 H new ATOM 0 HA LYS A 49 -4.316 15.502 -26.033 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -3.452 13.117 -24.377 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -2.855 13.406 -25.999 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -2.122 15.725 -25.178 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -2.484 15.169 -23.556 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -0.576 13.745 -25.453 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -0.065 14.911 -24.249 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -1.078 13.472 -22.463 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -1.509 12.292 -23.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 0.555 11.709 -22.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 0.841 12.041 -24.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 1.258 13.185 -23.050 1.00 0.00 H new ATOM 809 N ASN A 50 -6.235 12.864 -25.693 1.00 0.00 N ATOM 810 CA ASN A 50 -7.111 11.952 -26.419 1.00 0.00 C ATOM 811 C ASN A 50 -8.556 12.143 -25.998 1.00 0.00 C ATOM 812 O ASN A 50 -9.083 11.391 -25.174 1.00 0.00 O ATOM 813 CB ASN A 50 -6.705 10.498 -26.192 1.00 0.00 C ATOM 814 CG ASN A 50 -5.301 10.190 -26.681 1.00 0.00 C ATOM 815 OD1 ASN A 50 -5.065 10.061 -27.880 1.00 0.00 O ATOM 816 ND2 ASN A 50 -4.363 10.066 -25.752 1.00 0.00 N ATOM 0 H ASN A 50 -6.308 12.804 -24.677 1.00 0.00 H new ATOM 0 HA ASN A 50 -7.013 12.183 -27.480 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -6.771 10.270 -25.128 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -7.413 9.845 -26.703 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -3.402 9.856 -26.022 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -4.602 10.181 -24.767 1.00 0.00 H new ATOM 823 N PRO A 51 -9.214 13.155 -26.575 1.00 0.00 N ATOM 824 CA PRO A 51 -10.612 13.481 -26.276 1.00 0.00 C ATOM 825 C PRO A 51 -11.557 12.331 -26.607 1.00 0.00 C ATOM 826 O PRO A 51 -12.572 12.135 -25.942 1.00 0.00 O ATOM 827 CB PRO A 51 -10.892 14.694 -27.173 1.00 0.00 C ATOM 828 CG PRO A 51 -9.542 15.249 -27.474 1.00 0.00 C ATOM 829 CD PRO A 51 -8.653 14.058 -27.593 1.00 0.00 C ATOM 0 HA PRO A 51 -10.771 13.677 -25.216 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -11.415 14.403 -28.084 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -11.520 15.427 -26.666 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -9.550 15.829 -28.397 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -9.204 15.916 -26.681 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -8.688 13.620 -28.591 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -7.611 14.305 -27.390 1.00 0.00 H new ATOM 837 N GLN A 52 -11.205 11.578 -27.645 1.00 0.00 N ATOM 838 CA GLN A 52 -12.003 10.441 -28.086 1.00 0.00 C ATOM 839 C GLN A 52 -12.061 9.380 -27.004 1.00 0.00 C ATOM 840 O GLN A 52 -13.119 8.816 -26.744 1.00 0.00 O ATOM 841 CB GLN A 52 -11.416 9.834 -29.365 1.00 0.00 C ATOM 842 CG GLN A 52 -11.574 10.718 -30.594 1.00 0.00 C ATOM 843 CD GLN A 52 -10.414 11.680 -30.774 1.00 0.00 C ATOM 844 OE1 GLN A 52 -10.577 12.893 -30.663 1.00 0.00 O ATOM 845 NE2 GLN A 52 -9.234 11.142 -31.051 1.00 0.00 N ATOM 0 H GLN A 52 -10.364 11.738 -28.200 1.00 0.00 H new ATOM 0 HA GLN A 52 -13.012 10.798 -28.291 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -10.356 9.633 -29.207 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -11.897 8.875 -29.555 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -11.661 10.090 -31.480 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -12.502 11.284 -30.513 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -9.142 10.130 -31.135 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -8.418 11.741 -31.180 1.00 0.00 H new ATOM 854 N LEU A 53 -10.928 9.128 -26.359 1.00 0.00 N ATOM 855 CA LEU A 53 -10.880 8.124 -25.311 1.00 0.00 C ATOM 856 C LEU A 53 -11.644 8.612 -24.090 1.00 0.00 C ATOM 857 O LEU A 53 -12.314 7.831 -23.410 1.00 0.00 O ATOM 858 CB LEU A 53 -9.440 7.755 -24.955 1.00 0.00 C ATOM 859 CG LEU A 53 -8.677 7.026 -26.063 1.00 0.00 C ATOM 860 CD1 LEU A 53 -7.219 6.836 -25.674 1.00 0.00 C ATOM 861 CD2 LEU A 53 -9.330 5.688 -26.373 1.00 0.00 C ATOM 0 H LEU A 53 -10.042 9.600 -26.542 1.00 0.00 H new ATOM 0 HA LEU A 53 -11.358 7.217 -25.681 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -8.899 8.665 -24.697 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -9.449 7.127 -24.064 1.00 0.00 H new ATOM 0 HG LEU A 53 -8.713 7.639 -26.964 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -6.694 6.316 -26.475 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -6.757 7.809 -25.509 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -7.160 6.247 -24.759 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -8.772 5.185 -27.163 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -9.330 5.067 -25.477 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -10.357 5.851 -26.701 1.00 0.00 H new ATOM 873 N ALA A 54 -11.536 9.915 -23.813 1.00 0.00 N ATOM 874 CA ALA A 54 -12.237 10.517 -22.689 1.00 0.00 C ATOM 875 C ALA A 54 -13.740 10.425 -22.899 1.00 0.00 C ATOM 876 O ALA A 54 -14.488 10.144 -21.971 1.00 0.00 O ATOM 877 CB ALA A 54 -11.819 11.967 -22.508 1.00 0.00 C ATOM 0 H ALA A 54 -10.969 10.567 -24.355 1.00 0.00 H new ATOM 0 HA ALA A 54 -11.972 9.969 -21.785 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -12.355 12.397 -21.662 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -10.746 12.016 -22.320 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -12.055 12.529 -23.411 1.00 0.00 H new ATOM 883 N GLU A 55 -14.167 10.679 -24.135 1.00 0.00 N ATOM 884 CA GLU A 55 -15.576 10.604 -24.507 1.00 0.00 C ATOM 885 C GLU A 55 -16.073 9.166 -24.418 1.00 0.00 C ATOM 886 O GLU A 55 -17.204 8.916 -23.999 1.00 0.00 O ATOM 887 CB GLU A 55 -15.798 11.153 -25.918 1.00 0.00 C ATOM 888 CG GLU A 55 -17.261 11.180 -26.338 1.00 0.00 C ATOM 889 CD GLU A 55 -17.468 11.756 -27.727 1.00 0.00 C ATOM 890 OE1 GLU A 55 -16.464 12.129 -28.372 1.00 0.00 O ATOM 891 OE2 GLU A 55 -18.633 11.835 -28.167 1.00 0.00 O ATOM 0 H GLU A 55 -13.548 10.941 -24.902 1.00 0.00 H new ATOM 0 HA GLU A 55 -16.144 11.217 -23.807 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -15.394 12.164 -25.973 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -15.236 10.546 -26.628 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -17.661 10.166 -26.308 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -17.829 11.769 -25.618 1.00 0.00 H new ATOM 898 N GLU A 56 -15.222 8.225 -24.823 1.00 0.00 N ATOM 899 CA GLU A 56 -15.572 6.810 -24.788 1.00 0.00 C ATOM 900 C GLU A 56 -15.871 6.368 -23.356 1.00 0.00 C ATOM 901 O GLU A 56 -16.805 5.602 -23.120 1.00 0.00 O ATOM 902 CB GLU A 56 -14.439 5.963 -25.378 1.00 0.00 C ATOM 903 CG GLU A 56 -14.250 6.145 -26.881 1.00 0.00 C ATOM 904 CD GLU A 56 -15.487 5.781 -27.680 1.00 0.00 C ATOM 905 OE1 GLU A 56 -16.040 4.685 -27.450 1.00 0.00 O ATOM 906 OE2 GLU A 56 -15.902 6.592 -28.533 1.00 0.00 O ATOM 0 H GLU A 56 -14.286 8.419 -25.179 1.00 0.00 H new ATOM 0 HA GLU A 56 -16.468 6.663 -25.392 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -13.508 6.216 -24.871 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -14.639 4.912 -25.171 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -13.984 7.182 -27.086 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -13.414 5.530 -27.214 1.00 0.00 H new ATOM 913 N ASP A 57 -15.078 6.851 -22.399 1.00 0.00 N ATOM 914 CA ASP A 57 -15.304 6.514 -20.994 1.00 0.00 C ATOM 915 C ASP A 57 -16.084 7.623 -20.282 1.00 0.00 C ATOM 916 O ASP A 57 -16.229 7.598 -19.060 1.00 0.00 O ATOM 917 CB ASP A 57 -13.986 6.207 -20.261 1.00 0.00 C ATOM 918 CG ASP A 57 -13.373 4.884 -20.672 1.00 0.00 C ATOM 919 OD1 ASP A 57 -14.070 4.074 -21.319 1.00 0.00 O ATOM 920 OD2 ASP A 57 -12.187 4.657 -20.345 1.00 0.00 O ATOM 0 H ASP A 57 -14.284 7.469 -22.568 1.00 0.00 H new ATOM 0 HA ASP A 57 -15.907 5.606 -20.971 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -13.273 7.008 -20.457 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -14.168 6.198 -19.186 1.00 0.00 H new ATOM 925 N LYS A 58 -16.589 8.581 -21.071 1.00 0.00 N ATOM 926 CA LYS A 58 -17.393 9.704 -20.567 1.00 0.00 C ATOM 927 C LYS A 58 -16.741 10.421 -19.385 1.00 0.00 C ATOM 928 O LYS A 58 -17.366 10.626 -18.342 1.00 0.00 O ATOM 929 CB LYS A 58 -18.804 9.235 -20.197 1.00 0.00 C ATOM 930 CG LYS A 58 -19.554 8.592 -21.357 1.00 0.00 C ATOM 931 CD LYS A 58 -19.711 7.091 -21.161 1.00 0.00 C ATOM 932 CE LYS A 58 -20.373 6.441 -22.365 1.00 0.00 C ATOM 933 NZ LYS A 58 -19.482 6.444 -23.558 1.00 0.00 N ATOM 0 H LYS A 58 -16.451 8.599 -22.081 1.00 0.00 H new ATOM 0 HA LYS A 58 -17.456 10.429 -21.378 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -18.737 8.520 -19.377 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -19.377 10.087 -19.832 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -20.538 9.051 -21.454 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -19.019 8.784 -22.287 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -18.733 6.640 -20.994 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -20.307 6.899 -20.269 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -20.647 5.415 -22.119 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -21.297 6.969 -22.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -19.871 5.808 -24.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -19.419 7.409 -23.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -18.533 6.117 -23.284 1.00 0.00 H new ATOM 947 N ILE A 59 -15.486 10.812 -19.559 1.00 0.00 N ATOM 948 CA ILE A 59 -14.756 11.505 -18.508 1.00 0.00 C ATOM 949 C ILE A 59 -14.917 13.017 -18.646 1.00 0.00 C ATOM 950 O ILE A 59 -14.365 13.631 -19.559 1.00 0.00 O ATOM 951 CB ILE A 59 -13.256 11.142 -18.548 1.00 0.00 C ATOM 952 CG1 ILE A 59 -13.075 9.624 -18.512 1.00 0.00 C ATOM 953 CG2 ILE A 59 -12.511 11.796 -17.391 1.00 0.00 C ATOM 954 CD1 ILE A 59 -13.653 8.972 -17.275 1.00 0.00 C ATOM 0 H ILE A 59 -14.954 10.661 -20.416 1.00 0.00 H new ATOM 0 HA ILE A 59 -15.172 11.187 -17.552 1.00 0.00 H new ATOM 0 HB ILE A 59 -12.836 11.520 -19.480 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -13.545 9.190 -19.394 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -12.012 9.392 -18.571 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -11.456 11.527 -17.439 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -12.612 12.879 -17.459 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -12.931 11.451 -16.446 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -13.487 7.896 -17.320 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -13.166 9.378 -16.388 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -14.723 9.172 -17.225 1.00 0.00 H new ATOM 966 N LEU A 60 -15.683 13.608 -17.735 1.00 0.00 N ATOM 967 CA LEU A 60 -15.923 15.049 -17.753 1.00 0.00 C ATOM 968 C LEU A 60 -15.240 15.751 -16.580 1.00 0.00 C ATOM 969 O LEU A 60 -15.377 16.962 -16.410 1.00 0.00 O ATOM 970 CB LEU A 60 -17.427 15.338 -17.724 1.00 0.00 C ATOM 971 CG LEU A 60 -18.230 14.752 -18.890 1.00 0.00 C ATOM 972 CD1 LEU A 60 -19.713 15.035 -18.712 1.00 0.00 C ATOM 973 CD2 LEU A 60 -17.736 15.315 -20.217 1.00 0.00 C ATOM 0 H LEU A 60 -16.149 13.113 -16.975 1.00 0.00 H new ATOM 0 HA LEU A 60 -15.495 15.440 -18.676 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -17.837 14.950 -16.791 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -17.572 16.418 -17.711 1.00 0.00 H new ATOM 0 HG LEU A 60 -18.083 13.672 -18.898 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -20.267 14.611 -19.549 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -20.060 14.585 -17.782 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -19.876 16.112 -18.677 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -18.318 14.887 -21.033 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -17.852 16.399 -20.218 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -16.684 15.062 -20.350 1.00 0.00 H new ATOM 985 N ALA A 61 -14.501 14.992 -15.775 1.00 0.00 N ATOM 986 CA ALA A 61 -13.815 15.558 -14.616 1.00 0.00 C ATOM 987 C ALA A 61 -12.484 14.864 -14.361 1.00 0.00 C ATOM 988 O ALA A 61 -12.317 13.685 -14.675 1.00 0.00 O ATOM 989 CB ALA A 61 -14.700 15.464 -13.382 1.00 0.00 C ATOM 0 H ALA A 61 -14.362 13.990 -15.902 1.00 0.00 H new ATOM 0 HA ALA A 61 -13.610 16.607 -14.831 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -14.177 15.889 -12.526 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -15.624 16.017 -13.554 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -14.935 14.419 -13.181 1.00 0.00 H new ATOM 995 N THR A 62 -11.539 15.611 -13.792 1.00 0.00 N ATOM 996 CA THR A 62 -10.213 15.099 -13.472 1.00 0.00 C ATOM 997 C THR A 62 -9.674 15.785 -12.217 1.00 0.00 C ATOM 998 O THR A 62 -9.990 16.948 -11.959 1.00 0.00 O ATOM 999 CB THR A 62 -9.206 15.352 -14.619 1.00 0.00 C ATOM 1000 OG1 THR A 62 -9.147 16.754 -14.912 1.00 0.00 O ATOM 1001 CG2 THR A 62 -9.570 14.582 -15.882 1.00 0.00 C ATOM 0 H THR A 62 -11.674 16.590 -13.540 1.00 0.00 H new ATOM 0 HA THR A 62 -10.317 14.025 -13.316 1.00 0.00 H new ATOM 0 HB THR A 62 -8.231 14.997 -14.284 1.00 0.00 H new ATOM 0 HG1 THR A 62 -9.556 16.923 -15.786 1.00 0.00 H new ATOM 0 HG21 THR A 62 -8.835 14.791 -16.660 1.00 0.00 H new ATOM 0 HG22 THR A 62 -9.578 13.513 -15.667 1.00 0.00 H new ATOM 0 HG23 THR A 62 -10.558 14.890 -16.224 1.00 0.00 H new ATOM 1009 N PRO A 63 -8.852 15.081 -11.419 1.00 0.00 N ATOM 1010 CA PRO A 63 -8.485 13.687 -11.666 1.00 0.00 C ATOM 1011 C PRO A 63 -9.604 12.731 -11.258 1.00 0.00 C ATOM 1012 O PRO A 63 -10.327 12.980 -10.293 1.00 0.00 O ATOM 1013 CB PRO A 63 -7.242 13.471 -10.783 1.00 0.00 C ATOM 1014 CG PRO A 63 -6.895 14.824 -10.245 1.00 0.00 C ATOM 1015 CD PRO A 63 -8.180 15.597 -10.226 1.00 0.00 C ATOM 0 HA PRO A 63 -8.300 13.491 -12.722 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -7.451 12.769 -9.976 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -6.417 13.055 -11.361 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -6.468 14.750 -9.245 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -6.152 15.316 -10.873 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -8.756 15.412 -9.319 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -8.012 16.672 -10.283 1.00 0.00 H new ATOM 1023 N THR A 64 -9.736 11.638 -11.991 1.00 0.00 N ATOM 1024 CA THR A 64 -10.752 10.636 -11.690 1.00 0.00 C ATOM 1025 C THR A 64 -10.117 9.253 -11.605 1.00 0.00 C ATOM 1026 O THR A 64 -9.371 8.845 -12.498 1.00 0.00 O ATOM 1027 CB THR A 64 -11.892 10.623 -12.732 1.00 0.00 C ATOM 1028 OG1 THR A 64 -12.537 11.900 -12.763 1.00 0.00 O ATOM 1029 CG2 THR A 64 -12.928 9.550 -12.411 1.00 0.00 C ATOM 0 H THR A 64 -9.154 11.419 -12.799 1.00 0.00 H new ATOM 0 HA THR A 64 -11.189 10.903 -10.728 1.00 0.00 H new ATOM 0 HB THR A 64 -11.451 10.401 -13.704 1.00 0.00 H new ATOM 0 HG1 THR A 64 -12.168 12.435 -13.496 1.00 0.00 H new ATOM 0 HG21 THR A 64 -13.716 9.568 -13.164 1.00 0.00 H new ATOM 0 HG22 THR A 64 -12.449 8.571 -12.410 1.00 0.00 H new ATOM 0 HG23 THR A 64 -13.360 9.743 -11.429 1.00 0.00 H new ATOM 1037 N LEU A 65 -10.416 8.541 -10.529 1.00 0.00 N ATOM 1038 CA LEU A 65 -9.888 7.201 -10.314 1.00 0.00 C ATOM 1039 C LEU A 65 -10.936 6.152 -10.626 1.00 0.00 C ATOM 1040 O LEU A 65 -12.038 6.195 -10.095 1.00 0.00 O ATOM 1041 CB LEU A 65 -9.425 7.031 -8.867 1.00 0.00 C ATOM 1042 CG LEU A 65 -7.931 7.244 -8.633 1.00 0.00 C ATOM 1043 CD1 LEU A 65 -7.604 7.128 -7.151 1.00 0.00 C ATOM 1044 CD2 LEU A 65 -7.123 6.239 -9.440 1.00 0.00 C ATOM 0 H LEU A 65 -11.028 8.873 -9.784 1.00 0.00 H new ATOM 0 HA LEU A 65 -9.039 7.069 -10.984 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -9.978 7.731 -8.241 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -9.689 6.028 -8.533 1.00 0.00 H new ATOM 0 HG LEU A 65 -7.665 8.248 -8.965 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -6.535 7.282 -7.001 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -8.161 7.882 -6.595 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -7.881 6.136 -6.794 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -6.060 6.402 -9.264 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -7.391 5.228 -9.134 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -7.339 6.366 -10.501 1.00 0.00 H new ATOM 1056 N ALA A 66 -10.602 5.222 -11.502 1.00 0.00 N ATOM 1057 CA ALA A 66 -11.524 4.155 -11.851 1.00 0.00 C ATOM 1058 C ALA A 66 -10.777 2.845 -12.068 1.00 0.00 C ATOM 1059 O ALA A 66 -9.822 2.781 -12.838 1.00 0.00 O ATOM 1060 CB ALA A 66 -12.334 4.524 -13.083 1.00 0.00 C ATOM 0 H ALA A 66 -9.704 5.183 -11.983 1.00 0.00 H new ATOM 0 HA ALA A 66 -12.215 4.018 -11.019 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -13.018 3.711 -13.326 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -12.905 5.431 -12.885 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -11.661 4.695 -13.923 1.00 0.00 H new ATOM 1066 N LYS A 67 -11.222 1.800 -11.378 1.00 0.00 N ATOM 1067 CA LYS A 67 -10.604 0.495 -11.508 1.00 0.00 C ATOM 1068 C LYS A 67 -11.439 -0.328 -12.468 1.00 0.00 C ATOM 1069 O LYS A 67 -12.489 -0.847 -12.102 1.00 0.00 O ATOM 1070 CB LYS A 67 -10.526 -0.187 -10.131 1.00 0.00 C ATOM 1071 CG LYS A 67 -9.986 -1.615 -10.147 1.00 0.00 C ATOM 1072 CD LYS A 67 -11.083 -2.641 -9.887 1.00 0.00 C ATOM 1073 CE LYS A 67 -11.053 -3.155 -8.457 1.00 0.00 C ATOM 1074 NZ LYS A 67 -9.783 -3.861 -8.157 1.00 0.00 N ATOM 0 H LYS A 67 -12.006 1.836 -10.726 1.00 0.00 H new ATOM 0 HA LYS A 67 -9.589 0.590 -11.893 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -9.895 0.417 -9.479 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -11.523 -0.197 -9.690 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -9.522 -1.817 -11.112 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -9.207 -1.717 -9.391 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -12.055 -2.192 -10.091 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -10.968 -3.478 -10.576 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -11.178 -2.320 -7.767 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -11.893 -3.831 -8.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -9.992 -4.811 -7.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -9.218 -3.943 -9.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -9.247 -3.324 -7.445 1.00 0.00 H new ATOM 1088 N VAL A 68 -10.972 -0.430 -13.697 1.00 0.00 N ATOM 1089 CA VAL A 68 -11.679 -1.178 -14.722 1.00 0.00 C ATOM 1090 C VAL A 68 -11.596 -2.678 -14.478 1.00 0.00 C ATOM 1091 O VAL A 68 -12.570 -3.407 -14.679 1.00 0.00 O ATOM 1092 CB VAL A 68 -11.149 -0.834 -16.126 1.00 0.00 C ATOM 1093 CG1 VAL A 68 -11.761 -1.734 -17.193 1.00 0.00 C ATOM 1094 CG2 VAL A 68 -11.406 0.630 -16.449 1.00 0.00 C ATOM 0 H VAL A 68 -10.101 -0.002 -14.013 1.00 0.00 H new ATOM 0 HA VAL A 68 -12.728 -0.885 -14.668 1.00 0.00 H new ATOM 0 HB VAL A 68 -10.073 -1.009 -16.125 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -11.363 -1.462 -18.171 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -11.514 -2.774 -16.978 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -12.844 -1.611 -17.195 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -11.025 0.855 -17.445 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -12.478 0.827 -16.417 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -10.900 1.259 -15.716 1.00 0.00 H new ATOM 1104 N LEU A 69 -10.433 -3.140 -14.033 1.00 0.00 N ATOM 1105 CA LEU A 69 -10.241 -4.575 -13.817 1.00 0.00 C ATOM 1106 C LEU A 69 -9.738 -4.887 -12.413 1.00 0.00 C ATOM 1107 O LEU A 69 -8.810 -4.246 -11.921 1.00 0.00 O ATOM 1108 CB LEU A 69 -9.257 -5.142 -14.848 1.00 0.00 C ATOM 1109 CG LEU A 69 -9.689 -5.015 -16.312 1.00 0.00 C ATOM 1110 CD1 LEU A 69 -8.562 -5.443 -17.239 1.00 0.00 C ATOM 1111 CD2 LEU A 69 -10.937 -5.845 -16.577 1.00 0.00 C ATOM 0 H LEU A 69 -9.623 -2.559 -13.818 1.00 0.00 H new ATOM 0 HA LEU A 69 -11.217 -5.046 -13.935 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -8.299 -4.638 -14.725 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -9.093 -6.196 -14.626 1.00 0.00 H new ATOM 0 HG LEU A 69 -9.923 -3.969 -16.510 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -8.887 -5.346 -18.275 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.692 -4.809 -17.071 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -8.299 -6.481 -17.037 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -11.228 -5.741 -17.622 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -10.730 -6.893 -16.360 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -11.748 -5.496 -15.938 1.00 0.00 H new ATOM 1123 N PRO A 70 -10.336 -5.899 -11.749 1.00 0.00 N ATOM 1124 CA PRO A 70 -11.453 -6.682 -12.302 1.00 0.00 C ATOM 1125 C PRO A 70 -12.785 -5.922 -12.249 1.00 0.00 C ATOM 1126 O PRO A 70 -12.964 -5.040 -11.412 1.00 0.00 O ATOM 1127 CB PRO A 70 -11.494 -7.909 -11.390 1.00 0.00 C ATOM 1128 CG PRO A 70 -10.995 -7.409 -10.079 1.00 0.00 C ATOM 1129 CD PRO A 70 -9.951 -6.373 -10.405 1.00 0.00 C ATOM 0 HA PRO A 70 -11.311 -6.918 -13.357 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -12.505 -8.308 -11.305 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -10.866 -8.712 -11.775 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -11.805 -6.977 -9.492 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -10.570 -8.220 -9.487 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -9.952 -5.561 -9.678 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -8.948 -6.801 -10.403 1.00 0.00 H new ATOM 1137 N PRO A 71 -13.731 -6.257 -13.146 1.00 0.00 N ATOM 1138 CA PRO A 71 -15.051 -5.611 -13.183 1.00 0.00 C ATOM 1139 C PRO A 71 -15.909 -5.989 -11.973 1.00 0.00 C ATOM 1140 O PRO A 71 -15.710 -7.047 -11.373 1.00 0.00 O ATOM 1141 CB PRO A 71 -15.672 -6.154 -14.475 1.00 0.00 C ATOM 1142 CG PRO A 71 -14.991 -7.460 -14.694 1.00 0.00 C ATOM 1143 CD PRO A 71 -13.583 -7.264 -14.211 1.00 0.00 C ATOM 0 HA PRO A 71 -14.980 -4.524 -13.155 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -16.750 -6.280 -14.375 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -15.507 -5.475 -15.311 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -15.487 -8.259 -14.143 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -15.009 -7.740 -15.747 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -13.154 -8.192 -13.832 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -12.928 -6.913 -15.009 1.00 0.00 H new ATOM 1151 N PRO A 72 -16.890 -5.141 -11.591 1.00 0.00 N ATOM 1152 CA PRO A 72 -17.198 -3.869 -12.274 1.00 0.00 C ATOM 1153 C PRO A 72 -16.162 -2.774 -12.017 1.00 0.00 C ATOM 1154 O PRO A 72 -15.350 -2.872 -11.100 1.00 0.00 O ATOM 1155 CB PRO A 72 -18.548 -3.476 -11.674 1.00 0.00 C ATOM 1156 CG PRO A 72 -18.533 -4.072 -10.311 1.00 0.00 C ATOM 1157 CD PRO A 72 -17.790 -5.373 -10.444 1.00 0.00 C ATOM 0 HA PRO A 72 -17.201 -3.987 -13.358 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -18.665 -2.393 -11.633 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -19.375 -3.864 -12.268 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -18.039 -3.410 -9.600 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -19.546 -4.235 -9.944 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -17.232 -5.611 -9.538 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -18.469 -6.206 -10.629 1.00 0.00 H new ATOM 1165 N VAL A 73 -16.207 -1.729 -12.842 1.00 0.00 N ATOM 1166 CA VAL A 73 -15.276 -0.612 -12.723 1.00 0.00 C ATOM 1167 C VAL A 73 -15.576 0.218 -11.469 1.00 0.00 C ATOM 1168 O VAL A 73 -16.704 0.677 -11.272 1.00 0.00 O ATOM 1169 CB VAL A 73 -15.352 0.298 -13.974 1.00 0.00 C ATOM 1170 CG1 VAL A 73 -14.382 1.468 -13.866 1.00 0.00 C ATOM 1171 CG2 VAL A 73 -15.083 -0.507 -15.239 1.00 0.00 C ATOM 0 H VAL A 73 -16.881 -1.634 -13.602 1.00 0.00 H new ATOM 0 HA VAL A 73 -14.271 -1.026 -12.642 1.00 0.00 H new ATOM 0 HB VAL A 73 -16.361 0.705 -14.030 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -14.459 2.088 -14.759 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -14.628 2.065 -12.988 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -13.364 1.089 -13.774 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -15.141 0.149 -16.107 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -14.088 -0.949 -15.184 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -15.827 -1.298 -15.332 1.00 0.00 H new ATOM 1181 N ARG A 74 -14.560 0.407 -10.628 1.00 0.00 N ATOM 1182 CA ARG A 74 -14.712 1.177 -9.390 1.00 0.00 C ATOM 1183 C ARG A 74 -14.310 2.622 -9.609 1.00 0.00 C ATOM 1184 O ARG A 74 -13.141 2.907 -9.847 1.00 0.00 O ATOM 1185 CB ARG A 74 -13.827 0.602 -8.279 1.00 0.00 C ATOM 1186 CG ARG A 74 -13.943 -0.900 -8.093 1.00 0.00 C ATOM 1187 CD ARG A 74 -15.332 -1.308 -7.627 1.00 0.00 C ATOM 1188 NE ARG A 74 -15.615 -0.847 -6.269 1.00 0.00 N ATOM 1189 CZ ARG A 74 -16.808 -0.946 -5.688 1.00 0.00 C ATOM 1190 NH1 ARG A 74 -17.826 -1.476 -6.350 1.00 0.00 N ATOM 1191 NH2 ARG A 74 -16.978 -0.513 -4.445 1.00 0.00 N ATOM 0 H ARG A 74 -13.621 0.038 -10.780 1.00 0.00 H new ATOM 0 HA ARG A 74 -15.760 1.119 -9.098 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -12.788 0.849 -8.496 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -14.082 1.092 -7.339 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -13.714 -1.401 -9.033 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -13.203 -1.234 -7.365 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -16.077 -0.900 -8.310 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -15.423 -2.393 -7.667 1.00 0.00 H new ATOM 0 HE ARG A 74 -14.854 -0.425 -5.736 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -17.695 -1.808 -7.305 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -18.740 -1.552 -5.904 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -16.194 -0.105 -3.936 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -17.892 -0.589 -3.999 1.00 0.00 H new ATOM 1205 N ARG A 75 -15.260 3.534 -9.506 1.00 0.00 N ATOM 1206 CA ARG A 75 -14.950 4.940 -9.689 1.00 0.00 C ATOM 1207 C ARG A 75 -14.840 5.642 -8.344 1.00 0.00 C ATOM 1208 O ARG A 75 -15.785 5.663 -7.553 1.00 0.00 O ATOM 1209 CB ARG A 75 -15.992 5.624 -10.565 1.00 0.00 C ATOM 1210 CG ARG A 75 -16.001 5.129 -12.001 1.00 0.00 C ATOM 1211 CD ARG A 75 -16.868 6.007 -12.884 1.00 0.00 C ATOM 1212 NE ARG A 75 -18.273 5.979 -12.481 1.00 0.00 N ATOM 1213 CZ ARG A 75 -19.155 5.082 -12.920 1.00 0.00 C ATOM 1214 NH1 ARG A 75 -18.779 4.141 -13.777 1.00 0.00 N ATOM 1215 NH2 ARG A 75 -20.412 5.128 -12.500 1.00 0.00 N ATOM 0 H ARG A 75 -16.238 3.331 -9.300 1.00 0.00 H new ATOM 0 HA ARG A 75 -13.988 5.008 -10.197 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -16.979 5.468 -10.130 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -15.808 6.698 -10.561 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -14.982 5.114 -12.389 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -16.369 4.103 -12.032 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -16.501 7.033 -12.846 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -16.782 5.676 -13.919 1.00 0.00 H new ATOM 0 HE ARG A 75 -18.598 6.689 -11.824 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -17.813 4.103 -14.101 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -19.456 3.456 -14.111 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -20.703 5.850 -11.841 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -21.087 4.441 -12.836 1.00 0.00 H new ATOM 1229 N ILE A 76 -13.673 6.210 -8.099 1.00 0.00 N ATOM 1230 CA ILE A 76 -13.391 6.914 -6.860 1.00 0.00 C ATOM 1231 C ILE A 76 -13.244 8.414 -7.127 1.00 0.00 C ATOM 1232 O ILE A 76 -12.363 8.834 -7.882 1.00 0.00 O ATOM 1233 CB ILE A 76 -12.102 6.372 -6.217 1.00 0.00 C ATOM 1234 CG1 ILE A 76 -12.241 4.866 -5.993 1.00 0.00 C ATOM 1235 CG2 ILE A 76 -11.806 7.082 -4.898 1.00 0.00 C ATOM 1236 CD1 ILE A 76 -10.965 4.202 -5.555 1.00 0.00 C ATOM 0 H ILE A 76 -12.892 6.196 -8.755 1.00 0.00 H new ATOM 0 HA ILE A 76 -14.223 6.753 -6.174 1.00 0.00 H new ATOM 0 HB ILE A 76 -11.267 6.563 -6.891 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -13.010 4.688 -5.241 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -12.585 4.400 -6.916 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -10.890 6.679 -4.466 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -11.683 8.150 -5.079 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -12.634 6.924 -4.206 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -11.139 3.135 -5.416 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -10.199 4.348 -6.316 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -10.631 4.641 -4.615 1.00 0.00 H new ATOM 1248 N ILE A 77 -14.111 9.215 -6.515 1.00 0.00 N ATOM 1249 CA ILE A 77 -14.075 10.663 -6.700 1.00 0.00 C ATOM 1250 C ILE A 77 -13.910 11.379 -5.360 1.00 0.00 C ATOM 1251 O ILE A 77 -14.666 11.133 -4.419 1.00 0.00 O ATOM 1252 CB ILE A 77 -15.352 11.177 -7.404 1.00 0.00 C ATOM 1253 CG1 ILE A 77 -15.585 10.418 -8.715 1.00 0.00 C ATOM 1254 CG2 ILE A 77 -15.257 12.673 -7.676 1.00 0.00 C ATOM 1255 CD1 ILE A 77 -16.778 9.488 -8.672 1.00 0.00 C ATOM 0 H ILE A 77 -14.846 8.887 -5.888 1.00 0.00 H new ATOM 0 HA ILE A 77 -13.216 10.884 -7.334 1.00 0.00 H new ATOM 0 HB ILE A 77 -16.198 11.000 -6.739 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -15.724 11.137 -9.522 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -14.692 9.840 -8.954 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -16.167 13.011 -8.172 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -15.137 13.207 -6.734 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -14.399 12.872 -8.318 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -16.882 8.985 -9.633 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -16.632 8.745 -7.888 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -17.680 10.063 -8.464 1.00 0.00 H new ATOM 1267 N GLY A 78 -12.915 12.259 -5.278 1.00 0.00 N ATOM 1268 CA GLY A 78 -12.669 12.994 -4.051 1.00 0.00 C ATOM 1269 C GLY A 78 -11.313 13.667 -4.058 1.00 0.00 C ATOM 1270 O GLY A 78 -10.707 13.833 -5.118 1.00 0.00 O ATOM 0 H GLY A 78 -12.274 12.476 -6.042 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -13.447 13.746 -3.916 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -12.732 12.314 -3.202 1.00 0.00 H new ATOM 1274 N ASP A 79 -10.832 14.058 -2.881 1.00 0.00 N ATOM 1275 CA ASP A 79 -9.527 14.705 -2.772 1.00 0.00 C ATOM 1276 C ASP A 79 -8.438 13.638 -2.779 1.00 0.00 C ATOM 1277 O ASP A 79 -8.170 13.003 -1.759 1.00 0.00 O ATOM 1278 CB ASP A 79 -9.446 15.539 -1.487 1.00 0.00 C ATOM 1279 CG ASP A 79 -8.141 16.307 -1.355 1.00 0.00 C ATOM 1280 OD1 ASP A 79 -7.313 16.254 -2.290 1.00 0.00 O ATOM 1281 OD2 ASP A 79 -7.947 16.963 -0.311 1.00 0.00 O ATOM 0 H ASP A 79 -11.322 13.939 -1.994 1.00 0.00 H new ATOM 0 HA ASP A 79 -9.386 15.375 -3.620 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -10.278 16.242 -1.465 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -9.562 14.881 -0.626 1.00 0.00 H new ATOM 1286 N LEU A 80 -7.807 13.456 -3.932 1.00 0.00 N ATOM 1287 CA LEU A 80 -6.771 12.442 -4.084 1.00 0.00 C ATOM 1288 C LEU A 80 -5.380 12.977 -3.751 1.00 0.00 C ATOM 1289 O LEU A 80 -4.405 12.230 -3.778 1.00 0.00 O ATOM 1290 CB LEU A 80 -6.779 11.894 -5.512 1.00 0.00 C ATOM 1291 CG LEU A 80 -8.091 11.246 -5.959 1.00 0.00 C ATOM 1292 CD1 LEU A 80 -8.003 10.826 -7.418 1.00 0.00 C ATOM 1293 CD2 LEU A 80 -8.426 10.050 -5.077 1.00 0.00 C ATOM 0 H LEU A 80 -7.994 13.997 -4.776 1.00 0.00 H new ATOM 0 HA LEU A 80 -6.997 11.645 -3.376 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -6.544 12.709 -6.197 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -5.980 11.159 -5.605 1.00 0.00 H new ATOM 0 HG LEU A 80 -8.891 11.980 -5.858 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -8.944 10.367 -7.722 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -7.810 11.702 -8.038 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -7.192 10.108 -7.542 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -9.362 9.603 -5.411 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -7.627 9.312 -5.146 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -8.529 10.378 -4.043 1.00 0.00 H new ATOM 1305 N SER A 81 -5.279 14.269 -3.460 1.00 0.00 N ATOM 1306 CA SER A 81 -3.991 14.864 -3.114 1.00 0.00 C ATOM 1307 C SER A 81 -3.538 14.372 -1.745 1.00 0.00 C ATOM 1308 O SER A 81 -2.354 14.413 -1.412 1.00 0.00 O ATOM 1309 CB SER A 81 -4.079 16.392 -3.134 1.00 0.00 C ATOM 1310 OG SER A 81 -4.358 16.872 -4.440 1.00 0.00 O ATOM 0 H SER A 81 -6.064 14.920 -3.456 1.00 0.00 H new ATOM 0 HA SER A 81 -3.255 14.557 -3.857 1.00 0.00 H new ATOM 0 HB2 SER A 81 -4.858 16.723 -2.448 1.00 0.00 H new ATOM 0 HB3 SER A 81 -3.140 16.818 -2.780 1.00 0.00 H new ATOM 0 HG SER A 81 -4.411 17.850 -4.425 1.00 0.00 H new ATOM 1316 N ASN A 82 -4.501 13.926 -0.949 1.00 0.00 N ATOM 1317 CA ASN A 82 -4.225 13.392 0.374 1.00 0.00 C ATOM 1318 C ASN A 82 -3.781 11.938 0.243 1.00 0.00 C ATOM 1319 O ASN A 82 -4.538 11.090 -0.234 1.00 0.00 O ATOM 1320 CB ASN A 82 -5.464 13.508 1.258 1.00 0.00 C ATOM 1321 CG ASN A 82 -5.245 12.959 2.653 1.00 0.00 C ATOM 1322 OD1 ASN A 82 -5.592 11.816 2.941 1.00 0.00 O ATOM 1323 ND2 ASN A 82 -4.668 13.772 3.530 1.00 0.00 N ATOM 0 H ASN A 82 -5.489 13.925 -1.202 1.00 0.00 H new ATOM 0 HA ASN A 82 -3.425 13.965 0.843 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -5.758 14.555 1.327 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -6.291 12.975 0.789 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -4.498 13.455 4.484 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -4.395 14.714 3.249 1.00 0.00 H new ATOM 1330 N ARG A 83 -2.550 11.660 0.667 1.00 0.00 N ATOM 1331 CA ARG A 83 -1.987 10.313 0.557 1.00 0.00 C ATOM 1332 C ARG A 83 -2.805 9.284 1.333 1.00 0.00 C ATOM 1333 O ARG A 83 -2.948 8.147 0.882 1.00 0.00 O ATOM 1334 CB ARG A 83 -0.521 10.284 1.000 1.00 0.00 C ATOM 1335 CG ARG A 83 0.426 11.012 0.056 1.00 0.00 C ATOM 1336 CD ARG A 83 1.824 11.119 0.643 1.00 0.00 C ATOM 1337 NE ARG A 83 1.863 11.988 1.818 1.00 0.00 N ATOM 1338 CZ ARG A 83 2.952 12.186 2.554 1.00 0.00 C ATOM 1339 NH1 ARG A 83 4.089 11.580 2.235 1.00 0.00 N ATOM 1340 NH2 ARG A 83 2.906 12.993 3.606 1.00 0.00 N ATOM 0 H ARG A 83 -1.924 12.346 1.089 1.00 0.00 H new ATOM 0 HA ARG A 83 -2.031 10.039 -0.497 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -0.443 10.730 1.992 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -0.200 9.246 1.091 1.00 0.00 H new ATOM 0 HG2 ARG A 83 0.470 10.484 -0.896 1.00 0.00 H new ATOM 0 HG3 ARG A 83 0.040 12.010 -0.151 1.00 0.00 H new ATOM 0 HD2 ARG A 83 2.179 10.125 0.916 1.00 0.00 H new ATOM 0 HD3 ARG A 83 2.506 11.504 -0.115 1.00 0.00 H new ATOM 0 HE ARG A 83 1.006 12.470 2.088 1.00 0.00 H new ATOM 0 HH11 ARG A 83 4.128 10.962 1.425 1.00 0.00 H new ATOM 0 HH12 ARG A 83 4.924 11.732 2.800 1.00 0.00 H new ATOM 0 HH21 ARG A 83 2.034 13.462 3.851 1.00 0.00 H new ATOM 0 HH22 ARG A 83 3.742 13.144 4.170 1.00 0.00 H new ATOM 1354 N GLU A 84 -3.338 9.668 2.491 1.00 0.00 N ATOM 1355 CA GLU A 84 -4.145 8.749 3.290 1.00 0.00 C ATOM 1356 C GLU A 84 -5.382 8.269 2.535 1.00 0.00 C ATOM 1357 O GLU A 84 -5.671 7.078 2.548 1.00 0.00 O ATOM 1358 CB GLU A 84 -4.568 9.401 4.606 1.00 0.00 C ATOM 1359 CG GLU A 84 -3.448 9.481 5.625 1.00 0.00 C ATOM 1360 CD GLU A 84 -3.836 10.270 6.859 1.00 0.00 C ATOM 1361 OE1 GLU A 84 -4.016 11.501 6.743 1.00 0.00 O ATOM 1362 OE2 GLU A 84 -3.959 9.658 7.939 1.00 0.00 O ATOM 0 H GLU A 84 -3.228 10.599 2.894 1.00 0.00 H new ATOM 0 HA GLU A 84 -3.519 7.882 3.501 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -4.937 10.406 4.403 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -5.398 8.837 5.032 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -3.158 8.473 5.920 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -2.575 9.942 5.164 1.00 0.00 H new ATOM 1369 N LYS A 85 -6.103 9.169 1.865 1.00 0.00 N ATOM 1370 CA LYS A 85 -7.295 8.746 1.124 1.00 0.00 C ATOM 1371 C LYS A 85 -6.923 7.806 -0.016 1.00 0.00 C ATOM 1372 O LYS A 85 -7.614 6.814 -0.246 1.00 0.00 O ATOM 1373 CB LYS A 85 -8.093 9.931 0.576 1.00 0.00 C ATOM 1374 CG LYS A 85 -8.825 10.748 1.625 1.00 0.00 C ATOM 1375 CD LYS A 85 -9.611 11.872 0.970 1.00 0.00 C ATOM 1376 CE LYS A 85 -10.283 12.761 2.005 1.00 0.00 C ATOM 1377 NZ LYS A 85 -11.275 12.010 2.823 1.00 0.00 N ATOM 0 H LYS A 85 -5.893 10.166 1.818 1.00 0.00 H new ATOM 0 HA LYS A 85 -7.930 8.218 1.836 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -7.413 10.588 0.034 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -8.820 9.558 -0.146 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -9.500 10.105 2.190 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -8.110 11.162 2.336 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -8.943 12.472 0.352 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -10.366 11.450 0.306 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -9.526 13.193 2.659 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -10.781 13.591 1.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -11.818 12.676 3.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -11.923 11.494 2.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -10.778 11.334 3.438 1.00 0.00 H new ATOM 1391 N VAL A 86 -5.844 8.112 -0.724 1.00 0.00 N ATOM 1392 CA VAL A 86 -5.395 7.254 -1.813 1.00 0.00 C ATOM 1393 C VAL A 86 -4.984 5.881 -1.280 1.00 0.00 C ATOM 1394 O VAL A 86 -5.369 4.853 -1.835 1.00 0.00 O ATOM 1395 CB VAL A 86 -4.230 7.898 -2.601 1.00 0.00 C ATOM 1396 CG1 VAL A 86 -3.638 6.914 -3.600 1.00 0.00 C ATOM 1397 CG2 VAL A 86 -4.718 9.146 -3.317 1.00 0.00 C ATOM 0 H VAL A 86 -5.268 8.939 -0.567 1.00 0.00 H new ATOM 0 HA VAL A 86 -6.232 7.128 -2.500 1.00 0.00 H new ATOM 0 HB VAL A 86 -3.447 8.174 -1.895 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -2.821 7.392 -4.141 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -3.260 6.040 -3.070 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -4.409 6.605 -4.306 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -3.893 9.594 -3.870 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -5.516 8.879 -4.010 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -5.096 9.861 -2.586 1.00 0.00 H new ATOM 1407 N LEU A 87 -4.216 5.874 -0.191 1.00 0.00 N ATOM 1408 CA LEU A 87 -3.762 4.636 0.433 1.00 0.00 C ATOM 1409 C LEU A 87 -4.936 3.835 0.996 1.00 0.00 C ATOM 1410 O LEU A 87 -5.024 2.630 0.776 1.00 0.00 O ATOM 1411 CB LEU A 87 -2.747 4.952 1.535 1.00 0.00 C ATOM 1412 CG LEU A 87 -2.274 3.759 2.362 1.00 0.00 C ATOM 1413 CD1 LEU A 87 -1.546 2.745 1.492 1.00 0.00 C ATOM 1414 CD2 LEU A 87 -1.387 4.229 3.506 1.00 0.00 C ATOM 0 H LEU A 87 -3.894 6.720 0.279 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.281 4.023 -0.329 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -1.876 5.421 1.077 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -3.188 5.686 2.209 1.00 0.00 H new ATOM 0 HG LEU A 87 -3.150 3.265 2.784 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -1.220 1.906 2.107 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.218 2.385 0.713 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -0.678 3.217 1.032 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -1.057 3.368 4.088 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -0.518 4.749 3.103 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -1.950 4.906 4.148 1.00 0.00 H new ATOM 1426 N ILE A 88 -5.827 4.504 1.717 1.00 0.00 N ATOM 1427 CA ILE A 88 -6.989 3.842 2.302 1.00 0.00 C ATOM 1428 C ILE A 88 -7.901 3.261 1.217 1.00 0.00 C ATOM 1429 O ILE A 88 -8.318 2.105 1.304 1.00 0.00 O ATOM 1430 CB ILE A 88 -7.770 4.805 3.222 1.00 0.00 C ATOM 1431 CG1 ILE A 88 -6.935 5.087 4.476 1.00 0.00 C ATOM 1432 CG2 ILE A 88 -9.132 4.229 3.595 1.00 0.00 C ATOM 1433 CD1 ILE A 88 -7.418 6.266 5.288 1.00 0.00 C ATOM 0 H ILE A 88 -5.768 5.504 1.911 1.00 0.00 H new ATOM 0 HA ILE A 88 -6.627 3.014 2.911 1.00 0.00 H new ATOM 0 HB ILE A 88 -7.950 5.739 2.689 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -6.938 4.199 5.108 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -5.901 5.264 4.179 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -9.658 4.930 4.243 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -9.717 4.062 2.690 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -8.996 3.283 4.118 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -6.774 6.398 6.157 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -7.389 7.167 4.675 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -8.441 6.086 5.619 1.00 0.00 H new ATOM 1445 N ALA A 89 -8.195 4.061 0.191 1.00 0.00 N ATOM 1446 CA ALA A 89 -9.040 3.609 -0.913 1.00 0.00 C ATOM 1447 C ALA A 89 -8.384 2.460 -1.675 1.00 0.00 C ATOM 1448 O ALA A 89 -9.048 1.493 -2.050 1.00 0.00 O ATOM 1449 CB ALA A 89 -9.360 4.762 -1.853 1.00 0.00 C ATOM 0 H ALA A 89 -7.862 5.021 0.102 1.00 0.00 H new ATOM 0 HA ALA A 89 -9.974 3.241 -0.489 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -9.990 4.404 -2.667 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -9.886 5.543 -1.304 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -8.434 5.166 -2.262 1.00 0.00 H new ATOM 1455 N LEU A 90 -7.073 2.570 -1.889 1.00 0.00 N ATOM 1456 CA LEU A 90 -6.314 1.542 -2.599 1.00 0.00 C ATOM 1457 C LEU A 90 -6.264 0.254 -1.770 1.00 0.00 C ATOM 1458 O LEU A 90 -6.383 -0.847 -2.313 1.00 0.00 O ATOM 1459 CB LEU A 90 -4.893 2.047 -2.912 1.00 0.00 C ATOM 1460 CG LEU A 90 -4.275 1.545 -4.219 1.00 0.00 C ATOM 1461 CD1 LEU A 90 -3.642 0.183 -4.011 1.00 0.00 C ATOM 1462 CD2 LEU A 90 -5.314 1.503 -5.334 1.00 0.00 C ATOM 0 H LEU A 90 -6.513 3.364 -1.579 1.00 0.00 H new ATOM 0 HA LEU A 90 -6.814 1.323 -3.543 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -4.914 3.136 -2.938 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -4.238 1.760 -2.090 1.00 0.00 H new ATOM 0 HG LEU A 90 -3.495 2.243 -4.523 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -3.206 -0.163 -4.948 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -2.862 0.256 -3.253 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -4.402 -0.525 -3.682 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -4.849 1.143 -6.252 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -6.125 0.832 -5.051 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -5.712 2.504 -5.498 1.00 0.00 H new ATOM 1474 N ARG A 91 -6.094 0.403 -0.456 1.00 0.00 N ATOM 1475 CA ARG A 91 -6.049 -0.737 0.460 1.00 0.00 C ATOM 1476 C ARG A 91 -7.381 -1.486 0.460 1.00 0.00 C ATOM 1477 O ARG A 91 -7.409 -2.718 0.415 1.00 0.00 O ATOM 1478 CB ARG A 91 -5.717 -0.262 1.879 1.00 0.00 C ATOM 1479 CG ARG A 91 -5.598 -1.389 2.894 1.00 0.00 C ATOM 1480 CD ARG A 91 -5.212 -0.863 4.268 1.00 0.00 C ATOM 1481 NE ARG A 91 -5.122 -1.933 5.257 1.00 0.00 N ATOM 1482 CZ ARG A 91 -4.791 -1.738 6.529 1.00 0.00 C ATOM 1483 NH1 ARG A 91 -4.516 -0.515 6.965 1.00 0.00 N ATOM 1484 NH2 ARG A 91 -4.736 -2.766 7.366 1.00 0.00 N ATOM 0 H ARG A 91 -5.985 1.309 0.000 1.00 0.00 H new ATOM 0 HA ARG A 91 -5.269 -1.418 0.119 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -4.779 0.293 1.856 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -6.490 0.432 2.210 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -6.547 -1.922 2.961 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -4.852 -2.108 2.555 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -4.254 -0.348 4.203 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -5.948 -0.128 4.595 1.00 0.00 H new ATOM 0 HE ARG A 91 -5.325 -2.886 4.954 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -4.559 0.277 6.323 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -4.262 -0.367 7.942 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -4.948 -3.707 7.033 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -4.482 -2.616 8.342 1.00 0.00 H new ATOM 1498 N LEU A 92 -8.483 -0.738 0.512 1.00 0.00 N ATOM 1499 CA LEU A 92 -9.815 -1.337 0.508 1.00 0.00 C ATOM 1500 C LEU A 92 -10.067 -2.093 -0.794 1.00 0.00 C ATOM 1501 O LEU A 92 -10.666 -3.171 -0.790 1.00 0.00 O ATOM 1502 CB LEU A 92 -10.892 -0.269 0.720 1.00 0.00 C ATOM 1503 CG LEU A 92 -10.932 0.348 2.121 1.00 0.00 C ATOM 1504 CD1 LEU A 92 -11.875 1.541 2.150 1.00 0.00 C ATOM 1505 CD2 LEU A 92 -11.353 -0.690 3.151 1.00 0.00 C ATOM 0 H LEU A 92 -8.479 0.281 0.557 1.00 0.00 H new ATOM 0 HA LEU A 92 -9.866 -2.047 1.333 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -10.738 0.529 -0.007 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -11.866 -0.710 0.507 1.00 0.00 H new ATOM 0 HG LEU A 92 -9.930 0.694 2.373 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -11.891 1.967 3.153 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -11.531 2.294 1.441 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -12.879 1.218 1.877 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -11.376 -0.233 4.140 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -12.345 -1.067 2.903 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -10.640 -1.515 3.149 1.00 0.00 H new ATOM 1517 N LEU A 93 -9.611 -1.521 -1.908 1.00 0.00 N ATOM 1518 CA LEU A 93 -9.775 -2.158 -3.213 1.00 0.00 C ATOM 1519 C LEU A 93 -8.983 -3.462 -3.280 1.00 0.00 C ATOM 1520 O LEU A 93 -9.464 -4.465 -3.807 1.00 0.00 O ATOM 1521 CB LEU A 93 -9.309 -1.224 -4.332 1.00 0.00 C ATOM 1522 CG LEU A 93 -10.194 -0.004 -4.583 1.00 0.00 C ATOM 1523 CD1 LEU A 93 -9.518 0.944 -5.562 1.00 0.00 C ATOM 1524 CD2 LEU A 93 -11.558 -0.432 -5.105 1.00 0.00 C ATOM 0 H LEU A 93 -9.128 -0.623 -1.933 1.00 0.00 H new ATOM 0 HA LEU A 93 -10.835 -2.376 -3.347 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -8.302 -0.878 -4.097 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -9.241 -1.798 -5.256 1.00 0.00 H new ATOM 0 HG LEU A 93 -10.340 0.520 -3.639 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -10.159 1.809 -5.732 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -8.565 1.274 -5.149 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -9.345 0.429 -6.507 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -12.175 0.450 -5.278 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -11.435 -0.978 -6.040 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -12.043 -1.075 -4.371 1.00 0.00 H new ATOM 1536 N ALA A 94 -7.767 -3.435 -2.731 1.00 0.00 N ATOM 1537 CA ALA A 94 -6.894 -4.607 -2.722 1.00 0.00 C ATOM 1538 C ALA A 94 -7.492 -5.747 -1.913 1.00 0.00 C ATOM 1539 O ALA A 94 -7.368 -6.914 -2.292 1.00 0.00 O ATOM 1540 CB ALA A 94 -5.514 -4.246 -2.204 1.00 0.00 C ATOM 0 H ALA A 94 -7.365 -2.610 -2.286 1.00 0.00 H new ATOM 0 HA ALA A 94 -6.797 -4.951 -3.752 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -4.881 -5.133 -2.206 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -5.072 -3.484 -2.846 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -5.596 -3.861 -1.187 1.00 0.00 H new ATOM 1546 N GLU A 95 -8.130 -5.416 -0.792 1.00 0.00 N ATOM 1547 CA GLU A 95 -8.752 -6.423 0.059 1.00 0.00 C ATOM 1548 C GLU A 95 -9.860 -7.147 -0.700 1.00 0.00 C ATOM 1549 O GLU A 95 -10.041 -8.356 -0.553 1.00 0.00 O ATOM 1550 CB GLU A 95 -9.311 -5.772 1.324 1.00 0.00 C ATOM 1551 CG GLU A 95 -8.238 -5.291 2.290 1.00 0.00 C ATOM 1552 CD GLU A 95 -8.802 -4.472 3.436 1.00 0.00 C ATOM 1553 OE1 GLU A 95 -9.960 -4.017 3.329 1.00 0.00 O ATOM 1554 OE2 GLU A 95 -8.084 -4.292 4.441 1.00 0.00 O ATOM 0 H GLU A 95 -8.229 -4.459 -0.454 1.00 0.00 H new ATOM 0 HA GLU A 95 -7.996 -7.153 0.347 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -9.937 -4.926 1.040 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -9.954 -6.487 1.836 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -7.706 -6.153 2.693 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -7.508 -4.691 1.746 1.00 0.00 H new ATOM 1561 N GLU A 96 -10.601 -6.388 -1.505 1.00 0.00 N ATOM 1562 CA GLU A 96 -11.678 -6.944 -2.317 1.00 0.00 C ATOM 1563 C GLU A 96 -11.111 -7.951 -3.316 1.00 0.00 C ATOM 1564 O GLU A 96 -11.698 -9.005 -3.563 1.00 0.00 O ATOM 1565 CB GLU A 96 -12.395 -5.819 -3.068 1.00 0.00 C ATOM 1566 CG GLU A 96 -13.222 -4.912 -2.166 1.00 0.00 C ATOM 1567 CD GLU A 96 -13.750 -3.687 -2.888 1.00 0.00 C ATOM 1568 OE1 GLU A 96 -13.233 -3.372 -3.980 1.00 0.00 O ATOM 1569 OE2 GLU A 96 -14.682 -3.044 -2.359 1.00 0.00 O ATOM 0 H GLU A 96 -10.473 -5.382 -1.611 1.00 0.00 H new ATOM 0 HA GLU A 96 -12.389 -7.451 -1.665 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -11.655 -5.216 -3.595 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -13.047 -6.257 -3.824 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -14.060 -5.478 -1.760 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -12.612 -4.595 -1.320 1.00 0.00 H new ATOM 1576 N ILE A 97 -9.961 -7.598 -3.881 1.00 0.00 N ATOM 1577 CA ILE A 97 -9.264 -8.436 -4.849 1.00 0.00 C ATOM 1578 C ILE A 97 -8.802 -9.739 -4.200 1.00 0.00 C ATOM 1579 O ILE A 97 -8.962 -10.819 -4.768 1.00 0.00 O ATOM 1580 CB ILE A 97 -8.057 -7.670 -5.425 1.00 0.00 C ATOM 1581 CG1 ILE A 97 -8.570 -6.464 -6.200 1.00 0.00 C ATOM 1582 CG2 ILE A 97 -7.207 -8.564 -6.327 1.00 0.00 C ATOM 1583 CD1 ILE A 97 -7.509 -5.444 -6.497 1.00 0.00 C ATOM 0 H ILE A 97 -9.485 -6.719 -3.679 1.00 0.00 H new ATOM 0 HA ILE A 97 -9.951 -8.683 -5.658 1.00 0.00 H new ATOM 0 HB ILE A 97 -7.419 -7.342 -4.604 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -9.007 -6.805 -7.138 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -9.369 -5.990 -5.630 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -6.365 -7.992 -6.716 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -6.835 -9.412 -5.752 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -7.814 -8.926 -7.157 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -7.947 -4.614 -7.051 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -7.088 -5.074 -5.562 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -6.721 -5.902 -7.094 1.00 0.00 H new ATOM 1595 N GLY A 98 -8.227 -9.619 -3.002 1.00 0.00 N ATOM 1596 CA GLY A 98 -7.754 -10.783 -2.266 1.00 0.00 C ATOM 1597 C GLY A 98 -8.876 -11.740 -1.909 1.00 0.00 C ATOM 1598 O GLY A 98 -8.675 -12.956 -1.880 1.00 0.00 O ATOM 0 H GLY A 98 -8.080 -8.729 -2.526 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -7.009 -11.308 -2.863 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -7.257 -10.454 -1.353 1.00 0.00 H new ATOM 1602 N ASP A 99 -10.049 -11.184 -1.609 1.00 0.00 N ATOM 1603 CA ASP A 99 -11.226 -11.981 -1.260 1.00 0.00 C ATOM 1604 C ASP A 99 -11.649 -12.874 -2.425 1.00 0.00 C ATOM 1605 O ASP A 99 -12.042 -14.023 -2.228 1.00 0.00 O ATOM 1606 CB ASP A 99 -12.387 -11.070 -0.855 1.00 0.00 C ATOM 1607 CG ASP A 99 -13.591 -11.848 -0.359 1.00 0.00 C ATOM 1608 OD1 ASP A 99 -13.483 -12.492 0.704 1.00 0.00 O ATOM 1609 OD2 ASP A 99 -14.640 -11.807 -1.034 1.00 0.00 O ATOM 0 H ASP A 99 -10.211 -10.177 -1.601 1.00 0.00 H new ATOM 0 HA ASP A 99 -10.961 -12.617 -0.416 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -12.053 -10.387 -0.074 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -12.680 -10.459 -1.709 1.00 0.00 H new ATOM 1614 N TYR A 100 -11.588 -12.325 -3.636 1.00 0.00 N ATOM 1615 CA TYR A 100 -11.953 -13.064 -4.834 1.00 0.00 C ATOM 1616 C TYR A 100 -10.897 -14.120 -5.134 1.00 0.00 C ATOM 1617 O TYR A 100 -9.710 -13.817 -5.248 1.00 0.00 O ATOM 1618 CB TYR A 100 -12.102 -12.103 -6.021 1.00 0.00 C ATOM 1619 CG TYR A 100 -12.460 -12.782 -7.328 1.00 0.00 C ATOM 1620 CD1 TYR A 100 -13.750 -13.240 -7.563 1.00 0.00 C ATOM 1621 CD2 TYR A 100 -11.509 -12.956 -8.325 1.00 0.00 C ATOM 1622 CE1 TYR A 100 -14.081 -13.855 -8.755 1.00 0.00 C ATOM 1623 CE2 TYR A 100 -11.833 -13.570 -9.521 1.00 0.00 C ATOM 1624 CZ TYR A 100 -13.119 -14.017 -9.731 1.00 0.00 C ATOM 1625 OH TYR A 100 -13.447 -14.628 -10.920 1.00 0.00 O ATOM 0 H TYR A 100 -11.287 -11.366 -3.810 1.00 0.00 H new ATOM 0 HA TYR A 100 -12.909 -13.562 -4.669 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -12.870 -11.367 -5.784 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -11.168 -11.557 -6.152 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -14.506 -13.113 -6.802 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -10.500 -12.606 -8.164 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -15.088 -14.207 -8.922 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -11.082 -13.698 -10.286 1.00 0.00 H new ATOM 0 HH TYR A 100 -12.657 -14.662 -11.499 1.00 0.00 H new ATOM 1635 N LYS A 101 -11.339 -15.356 -5.269 1.00 0.00 N ATOM 1636 CA LYS A 101 -10.428 -16.458 -5.546 1.00 0.00 C ATOM 1637 C LYS A 101 -10.558 -16.922 -6.992 1.00 0.00 C ATOM 1638 O LYS A 101 -11.664 -17.073 -7.511 1.00 0.00 O ATOM 1639 CB LYS A 101 -10.697 -17.630 -4.597 1.00 0.00 C ATOM 1640 CG LYS A 101 -10.631 -17.258 -3.121 1.00 0.00 C ATOM 1641 CD LYS A 101 -9.263 -16.720 -2.734 1.00 0.00 C ATOM 1642 CE LYS A 101 -9.198 -16.389 -1.252 1.00 0.00 C ATOM 1643 NZ LYS A 101 -7.883 -15.807 -0.871 1.00 0.00 N ATOM 0 H LYS A 101 -12.320 -15.625 -5.192 1.00 0.00 H new ATOM 0 HA LYS A 101 -9.411 -16.099 -5.387 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -11.683 -18.041 -4.814 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -9.972 -18.419 -4.795 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -11.392 -16.509 -2.901 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -10.862 -18.134 -2.515 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -8.498 -17.457 -2.978 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -9.043 -15.827 -3.318 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -9.992 -15.686 -1.002 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -9.377 -17.293 -0.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -7.743 -15.907 0.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -7.123 -16.307 -1.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -7.862 -14.799 -1.126 1.00 0.00 H new ATOM 1657 N ASP A 102 -9.418 -17.147 -7.637 1.00 0.00 N ATOM 1658 CA ASP A 102 -9.399 -17.602 -9.025 1.00 0.00 C ATOM 1659 C ASP A 102 -8.897 -19.040 -9.113 1.00 0.00 C ATOM 1660 O ASP A 102 -9.535 -19.895 -9.723 1.00 0.00 O ATOM 1661 CB ASP A 102 -8.519 -16.680 -9.878 1.00 0.00 C ATOM 1662 CG ASP A 102 -8.238 -17.252 -11.253 1.00 0.00 C ATOM 1663 OD1 ASP A 102 -9.169 -17.290 -12.082 1.00 0.00 O ATOM 1664 OD2 ASP A 102 -7.083 -17.662 -11.497 1.00 0.00 O ATOM 0 H ASP A 102 -8.495 -17.022 -7.222 1.00 0.00 H new ATOM 0 HA ASP A 102 -10.418 -17.568 -9.410 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -9.009 -15.712 -9.984 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -7.575 -16.505 -9.362 1.00 0.00 H new ATOM 1669 N ASP A 103 -7.747 -19.300 -8.500 1.00 0.00 N ATOM 1670 CA ASP A 103 -7.161 -20.637 -8.510 1.00 0.00 C ATOM 1671 C ASP A 103 -7.626 -21.422 -7.285 1.00 0.00 C ATOM 1672 O ASP A 103 -7.231 -21.123 -6.160 1.00 0.00 O ATOM 1673 CB ASP A 103 -5.632 -20.550 -8.539 1.00 0.00 C ATOM 1674 CG ASP A 103 -4.970 -21.890 -8.800 1.00 0.00 C ATOM 1675 OD1 ASP A 103 -5.698 -22.888 -9.003 1.00 0.00 O ATOM 1676 OD2 ASP A 103 -3.724 -21.940 -8.810 1.00 0.00 O ATOM 0 H ASP A 103 -7.202 -18.604 -7.991 1.00 0.00 H new ATOM 0 HA ASP A 103 -7.493 -21.158 -9.408 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -5.328 -19.843 -9.311 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -5.277 -20.154 -7.587 1.00 0.00 H new ATOM 1681 N ASP A 104 -8.468 -22.427 -7.515 1.00 0.00 N ATOM 1682 CA ASP A 104 -9.004 -23.249 -6.430 1.00 0.00 C ATOM 1683 C ASP A 104 -8.189 -24.530 -6.229 1.00 0.00 C ATOM 1684 O ASP A 104 -8.638 -25.461 -5.560 1.00 0.00 O ATOM 1685 CB ASP A 104 -10.468 -23.604 -6.709 1.00 0.00 C ATOM 1686 CG ASP A 104 -11.240 -23.935 -5.446 1.00 0.00 C ATOM 1687 OD1 ASP A 104 -10.856 -23.436 -4.366 1.00 0.00 O ATOM 1688 OD2 ASP A 104 -12.229 -24.691 -5.538 1.00 0.00 O ATOM 0 H ASP A 104 -8.795 -22.693 -8.444 1.00 0.00 H new ATOM 0 HA ASP A 104 -8.938 -22.663 -5.513 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -10.950 -22.768 -7.216 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -10.508 -24.455 -7.388 1.00 0.00 H new ATOM 1693 N ASP A 105 -6.996 -24.580 -6.811 1.00 0.00 N ATOM 1694 CA ASP A 105 -6.140 -25.756 -6.687 1.00 0.00 C ATOM 1695 C ASP A 105 -4.686 -25.345 -6.474 1.00 0.00 C ATOM 1696 O ASP A 105 -4.315 -24.200 -6.719 1.00 0.00 O ATOM 1697 CB ASP A 105 -6.258 -26.633 -7.939 1.00 0.00 C ATOM 1698 CG ASP A 105 -5.991 -28.100 -7.655 1.00 0.00 C ATOM 1699 OD1 ASP A 105 -5.653 -28.432 -6.498 1.00 0.00 O ATOM 1700 OD2 ASP A 105 -6.121 -28.917 -8.590 1.00 0.00 O ATOM 0 H ASP A 105 -6.600 -23.825 -7.371 1.00 0.00 H new ATOM 0 HA ASP A 105 -6.470 -26.328 -5.820 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -7.258 -26.525 -8.360 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -5.555 -26.279 -8.693 1.00 0.00 H new ATOM 1705 N LYS A 106 -3.870 -26.282 -6.008 1.00 0.00 N ATOM 1706 CA LYS A 106 -2.455 -26.010 -5.764 1.00 0.00 C ATOM 1707 C LYS A 106 -1.632 -26.250 -7.027 1.00 0.00 C ATOM 1708 O LYS A 106 -2.106 -26.999 -7.908 1.00 0.00 O ATOM 1709 CB LYS A 106 -1.930 -26.888 -4.622 1.00 0.00 C ATOM 1710 CG LYS A 106 -2.722 -26.760 -3.327 1.00 0.00 C ATOM 1711 CD LYS A 106 -2.654 -25.349 -2.761 1.00 0.00 C ATOM 1712 CE LYS A 106 -3.408 -25.241 -1.448 1.00 0.00 C ATOM 1713 NZ LYS A 106 -3.361 -23.861 -0.888 1.00 0.00 N ATOM 1714 OXT LYS A 106 -0.519 -25.691 -7.121 1.00 0.00 O ATOM 0 H LYS A 106 -4.161 -27.235 -5.791 1.00 0.00 H new ATOM 0 HA LYS A 106 -2.356 -24.963 -5.479 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -1.944 -27.930 -4.943 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -0.890 -26.628 -4.427 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -3.762 -27.029 -3.509 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -2.334 -27.466 -2.592 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -1.612 -25.067 -2.608 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -3.072 -24.646 -3.481 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -4.446 -25.535 -1.601 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -2.982 -25.939 -0.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -3.888 -23.832 0.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -2.372 -23.589 -0.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -3.790 -23.197 -1.564 1.00 0.00 H new TER 1728 LYS A 106