USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 596 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 14 TYR OH : rot -31:sc= -0.213! USER MOD Set 1.2: A 23 ASN : amide:sc= -0.455 K(o=-2.7,f=-8.2!) USER MOD Set 1.3: B 103 GLN : amide:sc= -1.98! C(o=-2.7!,f=-3.3!) USER MOD Set 2.1: A 3 GLN : amide:sc= 0.599 K(o=1.4,f=-18!) USER MOD Set 2.2: B 118 LYS NZ :NH3+ -139:sc= 0.769 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot -130:sc= -3.1! USER MOD Single : A 8 THR OG1 : rot 50:sc= 0.223 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 56:sc= 0.641 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot 150:sc= -0.664 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 158:sc= 0.913 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot -90:sc= -0.37 USER MOD Single : A 32 MET CE :methyl -164:sc= -14.3! (180deg=-15.7!) USER MOD Single : A 33 GLN : amide:sc= 0.0174 X(o=0.017,f=0) USER MOD Single : A 34 ASN : amide:sc= -0.168 K(o=-0.17,f=-1.9!) USER MOD Single : B 102 LYS NZ :NH3+ 159:sc= -0.0274 (180deg=-0.207) USER MOD Single : B 106 THR OG1 : rot -38:sc= -0.382! USER MOD Single : B 108 THR OG1 : rot 48:sc= 0.295 USER MOD Single : B 111 SER OG : rot 180:sc= 0 USER MOD Single : B 113 SER OG : rot -49:sc= 0.592 USER MOD Single : B 114 TYR OH : rot 160:sc= -2.33! USER MOD Single : B 115 GLN : amide:sc= -0.566! C(o=-0.57!,f=-5.3!) USER MOD Single : B 120 TYR OH : rot 150:sc= -2.55! USER MOD Single : B 123 ASN : amide:sc= -3.01! C(o=-3!,f=-16!) USER MOD Single : B 125 SER OG : rot 180:sc= 0 USER MOD Single : B 129 SER OG : rot -175:sc= 0.312 USER MOD Single : B 130 THR OG1 : rot 180:sc= 0 USER MOD Single : B 131 THR OG1 : rot -100:sc= -0.759 USER MOD Single : B 132 MET CE :methyl 149:sc= -17.5! (180deg=-19.2!) USER MOD Single : B 133 GLN : amide:sc= -0.18 X(o=-0.18,f=0) USER MOD Single : B 134 ASN : amide:sc= -2.63! C(o=-2.6!,f=-4.9!) USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 4.153 -10.626 13.124 1.00 0.00 N ATOM 21 CA LYS A 2 4.104 -10.445 11.673 1.00 0.00 C ATOM 22 C LYS A 2 2.761 -10.901 11.109 1.00 0.00 C ATOM 23 O LYS A 2 2.525 -12.094 10.916 1.00 0.00 O ATOM 24 CB LYS A 2 5.239 -11.196 10.957 1.00 0.00 C ATOM 25 CG LYS A 2 5.737 -12.446 11.680 1.00 0.00 C ATOM 26 CD LYS A 2 4.747 -13.600 11.562 1.00 0.00 C ATOM 27 CE LYS A 2 5.448 -14.946 11.476 1.00 0.00 C ATOM 28 NZ LYS A 2 5.910 -15.419 12.813 1.00 0.00 N ATOM 0 HA LYS A 2 4.231 -9.378 11.490 1.00 0.00 H new ATOM 0 HB2 LYS A 2 4.896 -11.481 9.962 1.00 0.00 H new ATOM 0 HB3 LYS A 2 6.078 -10.514 10.821 1.00 0.00 H new ATOM 0 HG2 LYS A 2 6.698 -12.748 11.264 1.00 0.00 H new ATOM 0 HG3 LYS A 2 5.903 -12.216 12.732 1.00 0.00 H new ATOM 0 HD2 LYS A 2 4.079 -13.594 12.423 1.00 0.00 H new ATOM 0 HD3 LYS A 2 4.127 -13.457 10.677 1.00 0.00 H new ATOM 0 HE2 LYS A 2 4.769 -15.682 11.045 1.00 0.00 H new ATOM 0 HE3 LYS A 2 6.302 -14.868 10.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 6.383 -16.340 12.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 6.578 -14.729 13.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 5.092 -15.518 13.448 1.00 0.00 H new ATOM 42 N GLN A 3 1.896 -9.945 10.819 1.00 0.00 N ATOM 43 CA GLN A 3 0.595 -10.249 10.242 1.00 0.00 C ATOM 44 C GLN A 3 0.620 -9.918 8.776 1.00 0.00 C ATOM 45 O GLN A 3 0.716 -8.752 8.395 1.00 0.00 O ATOM 46 CB GLN A 3 -0.545 -9.474 10.950 1.00 0.00 C ATOM 47 CG GLN A 3 -1.744 -9.164 10.051 1.00 0.00 C ATOM 48 CD GLN A 3 -3.077 -9.563 10.660 1.00 0.00 C ATOM 49 OE1 GLN A 3 -3.549 -8.961 11.629 1.00 0.00 O ATOM 50 NE2 GLN A 3 -3.707 -10.568 10.076 1.00 0.00 N ATOM 0 H GLN A 3 2.069 -8.952 10.973 1.00 0.00 H new ATOM 0 HA GLN A 3 0.395 -11.311 10.381 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -0.887 -10.055 11.806 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -0.145 -8.538 11.340 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -1.758 -8.096 9.833 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -1.618 -9.682 9.100 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -3.284 -11.040 9.277 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -4.617 -10.871 10.424 1.00 0.00 H new ATOM 59 N ARG A 4 0.549 -10.934 7.936 1.00 0.00 N ATOM 60 CA ARG A 4 0.596 -10.678 6.529 1.00 0.00 C ATOM 61 C ARG A 4 -0.734 -10.175 6.023 1.00 0.00 C ATOM 62 O ARG A 4 -1.681 -10.938 5.824 1.00 0.00 O ATOM 63 CB ARG A 4 0.997 -11.911 5.745 1.00 0.00 C ATOM 64 CG ARG A 4 2.007 -11.590 4.668 1.00 0.00 C ATOM 65 CD ARG A 4 2.926 -12.767 4.436 1.00 0.00 C ATOM 66 NE ARG A 4 3.733 -13.049 5.631 1.00 0.00 N ATOM 67 CZ ARG A 4 5.045 -13.248 5.639 1.00 0.00 C ATOM 68 NH1 ARG A 4 5.742 -13.265 4.521 1.00 0.00 N ATOM 69 NH2 ARG A 4 5.660 -13.441 6.787 1.00 0.00 N ATOM 0 H ARG A 4 0.461 -11.914 8.203 1.00 0.00 H new ATOM 0 HA ARG A 4 1.353 -9.909 6.377 1.00 0.00 H new ATOM 0 HB2 ARG A 4 1.415 -12.654 6.425 1.00 0.00 H new ATOM 0 HB3 ARG A 4 0.112 -12.357 5.291 1.00 0.00 H new ATOM 0 HG2 ARG A 4 1.491 -11.336 3.742 1.00 0.00 H new ATOM 0 HG3 ARG A 4 2.591 -10.717 4.958 1.00 0.00 H new ATOM 0 HD2 ARG A 4 2.337 -13.646 4.175 1.00 0.00 H new ATOM 0 HD3 ARG A 4 3.582 -12.560 3.591 1.00 0.00 H new ATOM 0 HE ARG A 4 3.246 -13.096 6.526 1.00 0.00 H new ATOM 0 HH11 ARG A 4 5.274 -13.123 3.626 1.00 0.00 H new ATOM 0 HH12 ARG A 4 6.750 -13.420 4.551 1.00 0.00 H new ATOM 0 HH21 ARG A 4 5.128 -13.437 7.657 1.00 0.00 H new ATOM 0 HH22 ARG A 4 6.668 -13.595 6.806 1.00 0.00 H new ATOM 83 N ILE A 5 -0.759 -8.886 5.745 1.00 0.00 N ATOM 84 CA ILE A 5 -1.918 -8.253 5.170 1.00 0.00 C ATOM 85 C ILE A 5 -1.574 -8.043 3.726 1.00 0.00 C ATOM 86 O ILE A 5 -0.558 -7.418 3.409 1.00 0.00 O ATOM 87 CB ILE A 5 -2.276 -6.902 5.832 1.00 0.00 C ATOM 88 CG1 ILE A 5 -1.813 -5.735 4.953 1.00 0.00 C ATOM 89 CG2 ILE A 5 -1.655 -6.823 7.219 1.00 0.00 C ATOM 90 CD1 ILE A 5 -2.099 -4.372 5.528 1.00 0.00 C ATOM 0 H ILE A 5 0.024 -8.254 5.913 1.00 0.00 H new ATOM 0 HA ILE A 5 -2.796 -8.881 5.319 1.00 0.00 H new ATOM 0 HB ILE A 5 -3.359 -6.833 5.936 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -0.740 -5.827 4.784 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -2.297 -5.814 3.980 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -1.912 -5.869 7.679 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -2.037 -7.637 7.835 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -0.571 -6.907 7.138 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -1.739 -3.605 4.842 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -3.173 -4.256 5.671 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -1.592 -4.268 6.487 1.00 0.00 H new ATOM 102 N THR A 6 -2.352 -8.604 2.849 1.00 0.00 N ATOM 103 CA THR A 6 -2.039 -8.489 1.455 1.00 0.00 C ATOM 104 C THR A 6 -3.218 -7.903 0.678 1.00 0.00 C ATOM 105 O THR A 6 -4.314 -8.460 0.695 1.00 0.00 O ATOM 106 CB THR A 6 -1.557 -9.863 0.928 1.00 0.00 C ATOM 107 OG1 THR A 6 -2.435 -10.394 -0.045 1.00 0.00 O ATOM 108 CG2 THR A 6 -1.389 -10.923 2.016 1.00 0.00 C ATOM 0 H THR A 6 -3.194 -9.137 3.067 1.00 0.00 H new ATOM 0 HA THR A 6 -1.221 -7.784 1.305 1.00 0.00 H new ATOM 0 HB THR A 6 -0.580 -9.647 0.495 1.00 0.00 H new ATOM 0 HG1 THR A 6 -2.657 -11.320 0.186 1.00 0.00 H new ATOM 0 HG21 THR A 6 -1.049 -11.856 1.566 1.00 0.00 H new ATOM 0 HG22 THR A 6 -0.653 -10.583 2.745 1.00 0.00 H new ATOM 0 HG23 THR A 6 -2.344 -11.088 2.514 1.00 0.00 H new ATOM 116 N VAL A 7 -2.975 -6.794 -0.047 1.00 0.00 N ATOM 117 CA VAL A 7 -4.013 -6.171 -0.870 1.00 0.00 C ATOM 118 C VAL A 7 -3.812 -6.597 -2.318 1.00 0.00 C ATOM 119 O VAL A 7 -2.853 -6.186 -2.969 1.00 0.00 O ATOM 120 CB VAL A 7 -4.065 -4.598 -0.747 1.00 0.00 C ATOM 121 CG1 VAL A 7 -3.891 -3.878 -2.095 1.00 0.00 C ATOM 122 CG2 VAL A 7 -5.375 -4.203 -0.109 1.00 0.00 C ATOM 0 H VAL A 7 -2.073 -6.319 -0.075 1.00 0.00 H new ATOM 0 HA VAL A 7 -4.977 -6.518 -0.499 1.00 0.00 H new ATOM 0 HB VAL A 7 -3.224 -4.287 -0.127 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -3.937 -2.800 -1.940 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -2.926 -4.142 -2.527 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -4.687 -4.181 -2.775 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -5.423 -3.118 -0.018 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -6.201 -4.552 -0.728 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -5.448 -4.653 0.881 1.00 0.00 H new ATOM 132 N THR A 8 -4.693 -7.453 -2.814 1.00 0.00 N ATOM 133 CA THR A 8 -4.579 -7.939 -4.175 1.00 0.00 C ATOM 134 C THR A 8 -4.902 -6.835 -5.179 1.00 0.00 C ATOM 135 O THR A 8 -6.056 -6.659 -5.572 1.00 0.00 O ATOM 136 CB THR A 8 -5.484 -9.148 -4.372 1.00 0.00 C ATOM 137 OG1 THR A 8 -6.802 -8.882 -3.929 1.00 0.00 O ATOM 138 CG2 THR A 8 -4.992 -10.375 -3.643 1.00 0.00 C ATOM 0 H THR A 8 -5.490 -7.822 -2.295 1.00 0.00 H new ATOM 0 HA THR A 8 -3.549 -8.247 -4.352 1.00 0.00 H new ATOM 0 HB THR A 8 -5.471 -9.344 -5.444 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.114 -8.039 -4.319 1.00 0.00 H new ATOM 0 HG21 THR A 8 -5.678 -11.203 -3.821 1.00 0.00 H new ATOM 0 HG22 THR A 8 -3.999 -10.641 -4.007 1.00 0.00 H new ATOM 0 HG23 THR A 8 -4.943 -10.168 -2.574 1.00 0.00 H new ATOM 146 N VAL A 9 -3.875 -6.090 -5.582 1.00 0.00 N ATOM 147 CA VAL A 9 -4.046 -4.998 -6.534 1.00 0.00 C ATOM 148 C VAL A 9 -4.014 -5.517 -7.972 1.00 0.00 C ATOM 149 O VAL A 9 -4.733 -6.467 -8.281 1.00 0.00 O ATOM 150 CB VAL A 9 -3.006 -3.878 -6.327 1.00 0.00 C ATOM 151 CG1 VAL A 9 -3.460 -2.589 -6.999 1.00 0.00 C ATOM 152 CG2 VAL A 9 -2.786 -3.640 -4.848 1.00 0.00 C ATOM 0 H VAL A 9 -2.915 -6.224 -5.263 1.00 0.00 H new ATOM 0 HA VAL A 9 -5.027 -4.561 -6.349 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.067 -4.193 -6.783 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -2.711 -1.813 -6.840 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -3.584 -2.760 -8.068 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.410 -2.270 -6.570 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -2.050 -2.847 -4.713 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -3.727 -3.345 -4.383 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.423 -4.556 -4.382 1.00 0.00 H new ATOM 162 N ASP A 10 -3.253 -4.863 -8.871 1.00 0.00 N ATOM 163 CA ASP A 10 -3.226 -5.239 -10.288 1.00 0.00 C ATOM 164 C ASP A 10 -4.388 -4.526 -10.999 1.00 0.00 C ATOM 165 O ASP A 10 -4.483 -4.504 -12.228 1.00 0.00 O ATOM 166 CB ASP A 10 -3.303 -6.764 -10.460 1.00 0.00 C ATOM 167 CG ASP A 10 -2.849 -7.252 -11.825 1.00 0.00 C ATOM 168 OD1 ASP A 10 -2.370 -6.429 -12.634 1.00 0.00 O ATOM 169 OD2 ASP A 10 -2.974 -8.469 -12.080 1.00 0.00 O ATOM 0 H ASP A 10 -2.651 -4.073 -8.636 1.00 0.00 H new ATOM 0 HA ASP A 10 -2.283 -4.927 -10.737 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -2.690 -7.238 -9.693 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -4.330 -7.088 -10.292 1.00 0.00 H new ATOM 174 N SER A 11 -5.261 -3.921 -10.183 1.00 0.00 N ATOM 175 CA SER A 11 -6.411 -3.173 -10.656 1.00 0.00 C ATOM 176 C SER A 11 -6.516 -1.856 -9.879 1.00 0.00 C ATOM 177 O SER A 11 -6.614 -0.786 -10.484 1.00 0.00 O ATOM 178 CB SER A 11 -7.691 -3.998 -10.483 1.00 0.00 C ATOM 179 OG SER A 11 -8.663 -3.646 -11.454 1.00 0.00 O ATOM 0 H SER A 11 -5.179 -3.943 -9.167 1.00 0.00 H new ATOM 0 HA SER A 11 -6.286 -2.955 -11.717 1.00 0.00 H new ATOM 0 HB2 SER A 11 -7.457 -5.059 -10.567 1.00 0.00 H new ATOM 0 HB3 SER A 11 -8.097 -3.839 -9.484 1.00 0.00 H new ATOM 0 HG SER A 11 -9.469 -4.188 -11.322 1.00 0.00 H new ATOM 185 N ASP A 12 -6.543 -1.946 -8.533 1.00 0.00 N ATOM 186 CA ASP A 12 -6.682 -0.776 -7.664 1.00 0.00 C ATOM 187 C ASP A 12 -5.737 0.395 -8.040 1.00 0.00 C ATOM 188 O ASP A 12 -6.016 1.122 -8.999 1.00 0.00 O ATOM 189 CB ASP A 12 -6.505 -1.230 -6.217 1.00 0.00 C ATOM 190 CG ASP A 12 -7.843 -1.454 -5.535 1.00 0.00 C ATOM 191 OD1 ASP A 12 -8.707 -0.547 -5.620 1.00 0.00 O ATOM 192 OD2 ASP A 12 -8.029 -2.525 -4.930 1.00 0.00 O ATOM 0 H ASP A 12 -6.469 -2.829 -8.028 1.00 0.00 H new ATOM 0 HA ASP A 12 -7.680 -0.360 -7.800 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -5.924 -2.152 -6.193 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -5.936 -0.481 -5.667 1.00 0.00 H new ATOM 197 N SER A 13 -4.637 0.607 -7.292 1.00 0.00 N ATOM 198 CA SER A 13 -3.695 1.711 -7.583 1.00 0.00 C ATOM 199 C SER A 13 -2.471 1.658 -6.643 1.00 0.00 C ATOM 200 O SER A 13 -1.919 2.682 -6.239 1.00 0.00 O ATOM 201 CB SER A 13 -4.403 3.066 -7.459 1.00 0.00 C ATOM 202 OG SER A 13 -4.740 3.583 -8.737 1.00 0.00 O ATOM 0 H SER A 13 -4.378 0.035 -6.488 1.00 0.00 H new ATOM 0 HA SER A 13 -3.342 1.592 -8.607 1.00 0.00 H new ATOM 0 HB2 SER A 13 -5.306 2.955 -6.858 1.00 0.00 H new ATOM 0 HB3 SER A 13 -3.757 3.771 -6.936 1.00 0.00 H new ATOM 0 HG SER A 13 -5.285 2.928 -9.221 1.00 0.00 H new ATOM 208 N TYR A 14 -2.066 0.431 -6.324 1.00 0.00 N ATOM 209 CA TYR A 14 -0.921 0.130 -5.451 1.00 0.00 C ATOM 210 C TYR A 14 0.418 0.168 -6.200 1.00 0.00 C ATOM 211 O TYR A 14 1.444 0.578 -5.650 1.00 0.00 O ATOM 212 CB TYR A 14 -1.150 -1.247 -4.875 1.00 0.00 C ATOM 213 CG TYR A 14 0.027 -2.165 -4.980 1.00 0.00 C ATOM 214 CD1 TYR A 14 0.949 -2.214 -3.968 1.00 0.00 C ATOM 215 CD2 TYR A 14 0.185 -3.001 -6.069 1.00 0.00 C ATOM 216 CE1 TYR A 14 2.018 -3.080 -4.019 1.00 0.00 C ATOM 217 CE2 TYR A 14 1.249 -3.866 -6.144 1.00 0.00 C ATOM 218 CZ TYR A 14 2.164 -3.910 -5.117 1.00 0.00 C ATOM 219 OH TYR A 14 3.214 -4.791 -5.187 1.00 0.00 O ATOM 0 H TYR A 14 -2.533 -0.407 -6.671 1.00 0.00 H new ATOM 0 HA TYR A 14 -0.857 0.890 -4.672 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -1.425 -1.147 -3.825 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -1.998 -1.704 -5.384 1.00 0.00 H new ATOM 0 HD1 TYR A 14 0.835 -1.562 -3.115 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -0.537 -2.974 -6.871 1.00 0.00 H new ATOM 0 HE1 TYR A 14 2.734 -3.111 -3.212 1.00 0.00 H new ATOM 0 HE2 TYR A 14 1.367 -4.508 -7.004 1.00 0.00 H new ATOM 0 HH TYR A 14 3.987 -4.417 -4.715 1.00 0.00 H new ATOM 229 N GLN A 15 0.400 -0.330 -7.434 1.00 0.00 N ATOM 230 CA GLN A 15 1.609 -0.442 -8.253 1.00 0.00 C ATOM 231 C GLN A 15 2.458 0.837 -8.304 1.00 0.00 C ATOM 232 O GLN A 15 3.670 0.747 -8.199 1.00 0.00 O ATOM 233 CB GLN A 15 1.246 -0.879 -9.680 1.00 0.00 C ATOM 234 CG GLN A 15 -0.195 -0.579 -10.078 1.00 0.00 C ATOM 235 CD GLN A 15 -0.409 -0.603 -11.577 1.00 0.00 C ATOM 236 OE1 GLN A 15 -0.059 -1.567 -12.250 1.00 0.00 O ATOM 237 NE2 GLN A 15 -0.995 0.458 -12.109 1.00 0.00 N ATOM 0 H GLN A 15 -0.446 -0.666 -7.894 1.00 0.00 H new ATOM 0 HA GLN A 15 2.225 -1.198 -7.765 1.00 0.00 H new ATOM 0 HB2 GLN A 15 1.916 -0.382 -10.382 1.00 0.00 H new ATOM 0 HB3 GLN A 15 1.422 -1.950 -9.776 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -0.855 -1.309 -9.610 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -0.477 0.400 -9.691 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -1.271 1.240 -11.515 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -1.170 0.494 -13.113 1.00 0.00 H new ATOM 246 N LEU A 16 1.857 2.011 -8.471 1.00 0.00 N ATOM 247 CA LEU A 16 2.641 3.261 -8.538 1.00 0.00 C ATOM 248 C LEU A 16 3.563 3.438 -7.316 1.00 0.00 C ATOM 249 O LEU A 16 4.726 3.818 -7.455 1.00 0.00 O ATOM 250 CB LEU A 16 1.713 4.470 -8.660 1.00 0.00 C ATOM 251 CG LEU A 16 2.045 5.427 -9.808 1.00 0.00 C ATOM 252 CD1 LEU A 16 0.901 6.401 -10.041 1.00 0.00 C ATOM 253 CD2 LEU A 16 3.337 6.182 -9.521 1.00 0.00 C ATOM 0 H LEU A 16 0.848 2.133 -8.562 1.00 0.00 H new ATOM 0 HA LEU A 16 3.271 3.192 -9.425 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.691 4.113 -8.788 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.741 5.027 -7.723 1.00 0.00 H new ATOM 0 HG LEU A 16 2.185 4.837 -10.714 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.156 7.073 -10.861 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.003 5.847 -10.294 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.728 6.983 -9.136 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.556 6.857 -10.349 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.225 6.758 -8.603 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.156 5.472 -9.406 1.00 0.00 H new ATOM 265 N LEU A 17 3.020 3.162 -6.135 1.00 0.00 N ATOM 266 CA LEU A 17 3.801 3.298 -4.894 1.00 0.00 C ATOM 267 C LEU A 17 5.039 2.405 -4.919 1.00 0.00 C ATOM 268 O LEU A 17 6.165 2.855 -4.698 1.00 0.00 O ATOM 269 CB LEU A 17 2.973 2.957 -3.669 1.00 0.00 C ATOM 270 CG LEU A 17 2.899 4.060 -2.614 1.00 0.00 C ATOM 271 CD1 LEU A 17 4.228 4.194 -1.894 1.00 0.00 C ATOM 272 CD2 LEU A 17 2.487 5.381 -3.234 1.00 0.00 C ATOM 0 H LEU A 17 2.059 2.847 -6.003 1.00 0.00 H new ATOM 0 HA LEU A 17 4.108 4.342 -4.834 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.960 2.713 -3.990 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.386 2.060 -3.207 1.00 0.00 H new ATOM 0 HG LEU A 17 2.138 3.783 -1.885 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.159 4.984 -1.146 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.473 3.251 -1.405 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.008 4.443 -2.613 1.00 0.00 H new ATOM 0 HD21 LEU A 17 2.442 6.148 -2.461 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.216 5.671 -3.991 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.506 5.275 -3.697 1.00 0.00 H new ATOM 284 N LYS A 18 4.814 1.140 -5.200 1.00 0.00 N ATOM 285 CA LYS A 18 5.889 0.151 -5.268 1.00 0.00 C ATOM 286 C LYS A 18 6.709 0.332 -6.538 1.00 0.00 C ATOM 287 O LYS A 18 7.905 0.041 -6.575 1.00 0.00 O ATOM 288 CB LYS A 18 5.294 -1.250 -5.231 1.00 0.00 C ATOM 289 CG LYS A 18 4.247 -1.433 -6.301 1.00 0.00 C ATOM 290 CD LYS A 18 4.437 -2.738 -7.060 1.00 0.00 C ATOM 291 CE LYS A 18 4.062 -2.599 -8.526 1.00 0.00 C ATOM 292 NZ LYS A 18 5.197 -2.950 -9.427 1.00 0.00 N ATOM 0 H LYS A 18 3.886 0.760 -5.389 1.00 0.00 H new ATOM 0 HA LYS A 18 6.548 0.291 -4.411 1.00 0.00 H new ATOM 0 HB2 LYS A 18 6.086 -1.987 -5.365 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.851 -1.433 -4.252 1.00 0.00 H new ATOM 0 HG2 LYS A 18 3.256 -1.418 -5.847 1.00 0.00 H new ATOM 0 HG3 LYS A 18 4.291 -0.597 -6.999 1.00 0.00 H new ATOM 0 HD2 LYS A 18 5.476 -3.057 -6.979 1.00 0.00 H new ATOM 0 HD3 LYS A 18 3.828 -3.517 -6.601 1.00 0.00 H new ATOM 0 HE2 LYS A 18 3.211 -3.244 -8.746 1.00 0.00 H new ATOM 0 HE3 LYS A 18 3.745 -1.575 -8.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 4.900 -2.842 -10.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 6.000 -2.318 -9.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 5.483 -3.935 -9.257 1.00 0.00 H new ATOM 306 N ALA A 19 6.039 0.832 -7.565 1.00 0.00 N ATOM 307 CA ALA A 19 6.660 1.091 -8.853 1.00 0.00 C ATOM 308 C ALA A 19 7.754 2.131 -8.709 1.00 0.00 C ATOM 309 O ALA A 19 8.722 2.137 -9.471 1.00 0.00 O ATOM 310 CB ALA A 19 5.625 1.548 -9.875 1.00 0.00 C ATOM 0 H ALA A 19 5.048 1.070 -7.528 1.00 0.00 H new ATOM 0 HA ALA A 19 7.103 0.162 -9.211 1.00 0.00 H new ATOM 0 HB1 ALA A 19 6.115 1.735 -10.830 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.870 0.772 -10.000 1.00 0.00 H new ATOM 0 HB3 ALA A 19 5.149 2.464 -9.526 1.00 0.00 H new ATOM 316 N TYR A 20 7.606 3.008 -7.716 1.00 0.00 N ATOM 317 CA TYR A 20 8.598 4.027 -7.478 1.00 0.00 C ATOM 318 C TYR A 20 9.680 3.505 -6.537 1.00 0.00 C ATOM 319 O TYR A 20 10.858 3.685 -6.838 1.00 0.00 O ATOM 320 CB TYR A 20 7.958 5.347 -6.999 1.00 0.00 C ATOM 321 CG TYR A 20 7.614 5.456 -5.525 1.00 0.00 C ATOM 322 CD1 TYR A 20 8.574 5.326 -4.531 1.00 0.00 C ATOM 323 CD2 TYR A 20 6.312 5.733 -5.138 1.00 0.00 C ATOM 324 CE1 TYR A 20 8.241 5.463 -3.200 1.00 0.00 C ATOM 325 CE2 TYR A 20 5.973 5.876 -3.814 1.00 0.00 C ATOM 326 CZ TYR A 20 6.940 5.741 -2.844 1.00 0.00 C ATOM 327 OH TYR A 20 6.604 5.877 -1.515 1.00 0.00 O ATOM 0 H TYR A 20 6.813 3.025 -7.075 1.00 0.00 H new ATOM 0 HA TYR A 20 9.086 4.267 -8.423 1.00 0.00 H new ATOM 0 HB2 TYR A 20 8.638 6.162 -7.248 1.00 0.00 H new ATOM 0 HB3 TYR A 20 7.045 5.507 -7.572 1.00 0.00 H new ATOM 0 HD1 TYR A 20 9.597 5.114 -4.804 1.00 0.00 H new ATOM 0 HD2 TYR A 20 5.547 5.839 -5.893 1.00 0.00 H new ATOM 0 HE1 TYR A 20 8.999 5.353 -2.438 1.00 0.00 H new ATOM 0 HE2 TYR A 20 4.952 6.093 -3.536 1.00 0.00 H new ATOM 0 HH TYR A 20 5.851 6.499 -1.430 1.00 0.00 H new ATOM 337 N ASP A 21 9.290 2.819 -5.434 1.00 0.00 N ATOM 338 CA ASP A 21 10.290 2.242 -4.493 1.00 0.00 C ATOM 339 C ASP A 21 9.721 1.945 -3.100 1.00 0.00 C ATOM 340 O ASP A 21 10.486 1.825 -2.140 1.00 0.00 O ATOM 341 CB ASP A 21 11.496 3.188 -4.309 1.00 0.00 C ATOM 342 CG ASP A 21 12.824 2.463 -4.405 1.00 0.00 C ATOM 343 OD1 ASP A 21 13.209 2.067 -5.525 1.00 0.00 O ATOM 344 OD2 ASP A 21 13.482 2.290 -3.358 1.00 0.00 O ATOM 0 H ASP A 21 8.317 2.653 -5.176 1.00 0.00 H new ATOM 0 HA ASP A 21 10.594 1.302 -4.954 1.00 0.00 H new ATOM 0 HB2 ASP A 21 11.458 3.971 -5.066 1.00 0.00 H new ATOM 0 HB3 ASP A 21 11.423 3.679 -3.339 1.00 0.00 H new ATOM 349 N VAL A 22 8.403 1.848 -2.963 1.00 0.00 N ATOM 350 CA VAL A 22 7.810 1.613 -1.660 1.00 0.00 C ATOM 351 C VAL A 22 6.424 1.014 -1.767 1.00 0.00 C ATOM 352 O VAL A 22 5.453 1.733 -1.972 1.00 0.00 O ATOM 353 CB VAL A 22 7.707 2.949 -0.900 1.00 0.00 C ATOM 354 CG1 VAL A 22 6.904 2.797 0.382 1.00 0.00 C ATOM 355 CG2 VAL A 22 9.085 3.516 -0.605 1.00 0.00 C ATOM 0 H VAL A 22 7.736 1.928 -3.730 1.00 0.00 H new ATOM 0 HA VAL A 22 8.449 0.907 -1.130 1.00 0.00 H new ATOM 0 HB VAL A 22 7.179 3.652 -1.544 1.00 0.00 H new ATOM 0 HG11 VAL A 22 6.851 3.758 0.894 1.00 0.00 H new ATOM 0 HG12 VAL A 22 5.897 2.457 0.142 1.00 0.00 H new ATOM 0 HG13 VAL A 22 7.388 2.067 1.030 1.00 0.00 H new ATOM 0 HG21 VAL A 22 8.983 4.459 -0.068 1.00 0.00 H new ATOM 0 HG22 VAL A 22 9.646 2.809 0.006 1.00 0.00 H new ATOM 0 HG23 VAL A 22 9.616 3.687 -1.541 1.00 0.00 H new ATOM 365 N ASN A 23 6.329 -0.301 -1.612 1.00 0.00 N ATOM 366 CA ASN A 23 5.034 -0.959 -1.659 1.00 0.00 C ATOM 367 C ASN A 23 4.153 -0.316 -0.579 1.00 0.00 C ATOM 368 O ASN A 23 3.557 0.737 -0.795 1.00 0.00 O ATOM 369 CB ASN A 23 5.194 -2.473 -1.428 1.00 0.00 C ATOM 370 CG ASN A 23 5.708 -3.206 -2.652 1.00 0.00 C ATOM 371 OD1 ASN A 23 4.927 -3.689 -3.463 1.00 0.00 O ATOM 372 ND2 ASN A 23 7.023 -3.300 -2.791 1.00 0.00 N ATOM 0 H ASN A 23 7.122 -0.923 -1.455 1.00 0.00 H new ATOM 0 HA ASN A 23 4.569 -0.836 -2.637 1.00 0.00 H new ATOM 0 HB2 ASN A 23 5.880 -2.638 -0.597 1.00 0.00 H new ATOM 0 HB3 ASN A 23 4.232 -2.894 -1.136 1.00 0.00 H new ATOM 0 HD21 ASN A 23 7.417 -3.788 -3.595 1.00 0.00 H new ATOM 0 HD22 ASN A 23 7.641 -2.884 -2.094 1.00 0.00 H new ATOM 379 N ILE A 24 4.081 -0.938 0.584 1.00 0.00 N ATOM 380 CA ILE A 24 3.282 -0.373 1.668 1.00 0.00 C ATOM 381 C ILE A 24 3.789 -0.715 3.059 1.00 0.00 C ATOM 382 O ILE A 24 3.107 -0.415 4.040 1.00 0.00 O ATOM 383 CB ILE A 24 1.799 -0.764 1.601 1.00 0.00 C ATOM 384 CG1 ILE A 24 1.548 -1.784 0.511 1.00 0.00 C ATOM 385 CG2 ILE A 24 0.936 0.468 1.395 1.00 0.00 C ATOM 386 CD1 ILE A 24 2.344 -3.034 0.723 1.00 0.00 C ATOM 0 H ILE A 24 4.553 -1.815 0.805 1.00 0.00 H new ATOM 0 HA ILE A 24 3.388 0.700 1.508 1.00 0.00 H new ATOM 0 HB ILE A 24 1.528 -1.223 2.552 1.00 0.00 H new ATOM 0 HG12 ILE A 24 0.487 -2.030 0.481 1.00 0.00 H new ATOM 0 HG13 ILE A 24 1.802 -1.351 -0.457 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -0.113 0.174 1.350 1.00 0.00 H new ATOM 0 HG22 ILE A 24 1.084 1.159 2.225 1.00 0.00 H new ATOM 0 HG23 ILE A 24 1.217 0.957 0.462 1.00 0.00 H new ATOM 0 HD11 ILE A 24 2.135 -3.739 -0.081 1.00 0.00 H new ATOM 0 HD12 ILE A 24 3.407 -2.792 0.726 1.00 0.00 H new ATOM 0 HD13 ILE A 24 2.071 -3.482 1.679 1.00 0.00 H new ATOM 398 N SER A 25 4.941 -1.370 3.155 1.00 0.00 N ATOM 399 CA SER A 25 5.456 -1.771 4.469 1.00 0.00 C ATOM 400 C SER A 25 5.199 -0.662 5.508 1.00 0.00 C ATOM 401 O SER A 25 4.409 -0.842 6.447 1.00 0.00 O ATOM 402 CB SER A 25 6.955 -2.094 4.386 1.00 0.00 C ATOM 403 OG SER A 25 7.626 -1.804 5.601 1.00 0.00 O ATOM 0 H SER A 25 5.527 -1.632 2.363 1.00 0.00 H new ATOM 0 HA SER A 25 4.929 -2.671 4.786 1.00 0.00 H new ATOM 0 HB2 SER A 25 7.086 -3.148 4.141 1.00 0.00 H new ATOM 0 HB3 SER A 25 7.406 -1.520 3.576 1.00 0.00 H new ATOM 0 HG SER A 25 8.577 -2.024 5.510 1.00 0.00 H new ATOM 409 N GLY A 26 5.831 0.499 5.309 1.00 0.00 N ATOM 410 CA GLY A 26 5.632 1.626 6.211 1.00 0.00 C ATOM 411 C GLY A 26 4.466 2.505 5.792 1.00 0.00 C ATOM 412 O GLY A 26 3.850 3.171 6.626 1.00 0.00 O ATOM 0 H GLY A 26 6.476 0.677 4.539 1.00 0.00 H new ATOM 0 HA2 GLY A 26 5.458 1.253 7.220 1.00 0.00 H new ATOM 0 HA3 GLY A 26 6.542 2.226 6.245 1.00 0.00 H new ATOM 416 N LEU A 27 4.145 2.500 4.496 1.00 0.00 N ATOM 417 CA LEU A 27 3.043 3.278 3.978 1.00 0.00 C ATOM 418 C LEU A 27 1.758 2.871 4.665 1.00 0.00 C ATOM 419 O LEU A 27 1.120 3.674 5.339 1.00 0.00 O ATOM 420 CB LEU A 27 2.911 3.025 2.493 1.00 0.00 C ATOM 421 CG LEU A 27 2.020 3.994 1.752 1.00 0.00 C ATOM 422 CD1 LEU A 27 2.279 3.869 0.278 1.00 0.00 C ATOM 423 CD2 LEU A 27 0.567 3.712 2.067 1.00 0.00 C ATOM 0 H LEU A 27 4.644 1.958 3.790 1.00 0.00 H new ATOM 0 HA LEU A 27 3.232 4.336 4.162 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.905 3.055 2.046 1.00 0.00 H new ATOM 0 HB3 LEU A 27 2.526 2.016 2.345 1.00 0.00 H new ATOM 0 HG LEU A 27 2.241 5.013 2.068 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.639 4.565 -0.264 1.00 0.00 H new ATOM 0 HD12 LEU A 27 3.324 4.100 0.071 1.00 0.00 H new ATOM 0 HD13 LEU A 27 2.062 2.851 -0.045 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.066 4.417 1.527 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.319 2.695 1.762 1.00 0.00 H new ATOM 0 HD23 LEU A 27 0.399 3.821 3.138 1.00 0.00 H new ATOM 435 N VAL A 28 1.392 1.601 4.491 1.00 0.00 N ATOM 436 CA VAL A 28 0.189 1.075 5.104 1.00 0.00 C ATOM 437 C VAL A 28 0.169 1.423 6.586 1.00 0.00 C ATOM 438 O VAL A 28 -0.695 2.148 7.026 1.00 0.00 O ATOM 439 CB VAL A 28 0.065 -0.451 4.893 1.00 0.00 C ATOM 440 CG1 VAL A 28 -0.704 -1.105 6.028 1.00 0.00 C ATOM 441 CG2 VAL A 28 -0.613 -0.732 3.565 1.00 0.00 C ATOM 0 H VAL A 28 1.914 0.926 3.932 1.00 0.00 H new ATOM 0 HA VAL A 28 -0.672 1.537 4.621 1.00 0.00 H new ATOM 0 HB VAL A 28 1.068 -0.878 4.883 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.774 -2.178 5.849 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -0.185 -0.927 6.970 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.706 -0.680 6.081 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.698 -1.809 3.421 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -1.607 -0.286 3.563 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -0.021 -0.303 2.756 1.00 0.00 H new ATOM 451 N SER A 29 1.135 0.920 7.341 1.00 0.00 N ATOM 452 CA SER A 29 1.218 1.190 8.777 1.00 0.00 C ATOM 453 C SER A 29 1.101 2.679 9.129 1.00 0.00 C ATOM 454 O SER A 29 0.390 3.029 10.074 1.00 0.00 O ATOM 455 CB SER A 29 2.537 0.667 9.313 1.00 0.00 C ATOM 456 OG SER A 29 3.639 1.389 8.792 1.00 0.00 O ATOM 0 H SER A 29 1.878 0.319 6.985 1.00 0.00 H new ATOM 0 HA SER A 29 0.370 0.682 9.236 1.00 0.00 H new ATOM 0 HB2 SER A 29 2.540 0.734 10.401 1.00 0.00 H new ATOM 0 HB3 SER A 29 2.640 -0.388 9.059 1.00 0.00 H new ATOM 0 HG SER A 29 4.410 1.283 9.387 1.00 0.00 H new ATOM 462 N THR A 30 1.773 3.558 8.385 1.00 0.00 N ATOM 463 CA THR A 30 1.688 4.985 8.676 1.00 0.00 C ATOM 464 C THR A 30 0.329 5.501 8.252 1.00 0.00 C ATOM 465 O THR A 30 -0.355 6.182 9.016 1.00 0.00 O ATOM 466 CB THR A 30 2.820 5.773 7.998 1.00 0.00 C ATOM 467 OG1 THR A 30 3.253 6.831 8.839 1.00 0.00 O ATOM 468 CG2 THR A 30 2.447 6.384 6.663 1.00 0.00 C ATOM 0 H THR A 30 2.369 3.313 7.594 1.00 0.00 H new ATOM 0 HA THR A 30 1.808 5.130 9.750 1.00 0.00 H new ATOM 0 HB THR A 30 3.604 5.037 7.822 1.00 0.00 H new ATOM 0 HG1 THR A 30 3.975 7.325 8.398 1.00 0.00 H new ATOM 0 HG21 THR A 30 3.304 6.921 6.256 1.00 0.00 H new ATOM 0 HG22 THR A 30 2.152 5.595 5.971 1.00 0.00 H new ATOM 0 HG23 THR A 30 1.616 7.076 6.799 1.00 0.00 H new ATOM 476 N THR A 31 -0.069 5.145 7.034 1.00 0.00 N ATOM 477 CA THR A 31 -1.362 5.545 6.516 1.00 0.00 C ATOM 478 C THR A 31 -2.475 4.967 7.395 1.00 0.00 C ATOM 479 O THR A 31 -3.512 5.594 7.613 1.00 0.00 O ATOM 480 CB THR A 31 -1.527 5.099 5.060 1.00 0.00 C ATOM 481 OG1 THR A 31 -0.661 5.831 4.213 1.00 0.00 O ATOM 482 CG2 THR A 31 -2.926 5.286 4.524 1.00 0.00 C ATOM 0 H THR A 31 0.488 4.581 6.392 1.00 0.00 H new ATOM 0 HA THR A 31 -1.429 6.633 6.538 1.00 0.00 H new ATOM 0 HB THR A 31 -1.291 4.035 5.063 1.00 0.00 H new ATOM 0 HG1 THR A 31 -1.119 6.637 3.895 1.00 0.00 H new ATOM 0 HG21 THR A 31 -2.967 4.949 3.488 1.00 0.00 H new ATOM 0 HG22 THR A 31 -3.626 4.704 5.123 1.00 0.00 H new ATOM 0 HG23 THR A 31 -3.196 6.341 4.573 1.00 0.00 H new ATOM 490 N MET A 32 -2.224 3.768 7.911 1.00 0.00 N ATOM 491 CA MET A 32 -3.150 3.066 8.782 1.00 0.00 C ATOM 492 C MET A 32 -3.356 3.831 10.079 1.00 0.00 C ATOM 493 O MET A 32 -4.479 4.172 10.414 1.00 0.00 O ATOM 494 CB MET A 32 -2.630 1.657 9.084 1.00 0.00 C ATOM 495 CG MET A 32 -2.645 0.716 7.888 1.00 0.00 C ATOM 496 SD MET A 32 -3.839 -0.607 8.083 1.00 0.00 S ATOM 497 CE MET A 32 -3.933 -1.209 6.415 1.00 0.00 C ATOM 0 H MET A 32 -1.361 3.254 7.732 1.00 0.00 H new ATOM 0 HA MET A 32 -4.108 2.990 8.269 1.00 0.00 H new ATOM 0 HB2 MET A 32 -1.610 1.731 9.460 1.00 0.00 H new ATOM 0 HB3 MET A 32 -3.233 1.223 9.881 1.00 0.00 H new ATOM 0 HG2 MET A 32 -2.876 1.282 6.985 1.00 0.00 H new ATOM 0 HG3 MET A 32 -1.651 0.289 7.751 1.00 0.00 H new ATOM 0 HE1 MET A 32 -4.822 -1.829 6.302 1.00 0.00 H new ATOM 0 HE2 MET A 32 -3.989 -0.366 5.726 1.00 0.00 H new ATOM 0 HE3 MET A 32 -3.046 -1.802 6.192 1.00 0.00 H new ATOM 507 N GLN A 33 -2.273 4.109 10.810 1.00 0.00 N ATOM 508 CA GLN A 33 -2.381 4.853 12.070 1.00 0.00 C ATOM 509 C GLN A 33 -3.200 6.129 11.877 1.00 0.00 C ATOM 510 O GLN A 33 -3.932 6.549 12.776 1.00 0.00 O ATOM 511 CB GLN A 33 -0.986 5.173 12.639 1.00 0.00 C ATOM 512 CG GLN A 33 -0.521 6.620 12.442 1.00 0.00 C ATOM 513 CD GLN A 33 -0.592 7.455 13.710 1.00 0.00 C ATOM 514 OE1 GLN A 33 0.430 7.773 14.311 1.00 0.00 O ATOM 515 NE2 GLN A 33 -1.797 7.827 14.123 1.00 0.00 N ATOM 0 H GLN A 33 -1.324 3.835 10.557 1.00 0.00 H new ATOM 0 HA GLN A 33 -2.902 4.224 12.793 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -0.986 4.949 13.706 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -0.259 4.507 12.174 1.00 0.00 H new ATOM 0 HG2 GLN A 33 0.505 6.617 12.075 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -1.134 7.089 11.672 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -2.625 7.545 13.599 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -1.895 8.395 14.964 1.00 0.00 H new ATOM 524 N ASN A 34 -3.080 6.736 10.696 1.00 0.00 N ATOM 525 CA ASN A 34 -3.821 7.954 10.376 1.00 0.00 C ATOM 526 C ASN A 34 -5.282 7.621 10.090 1.00 0.00 C ATOM 527 O ASN A 34 -6.189 8.214 10.680 1.00 0.00 O ATOM 528 CB ASN A 34 -3.193 8.638 9.162 1.00 0.00 C ATOM 529 CG ASN A 34 -2.591 9.992 9.460 1.00 0.00 C ATOM 530 OD1 ASN A 34 -2.883 10.616 10.481 1.00 0.00 O ATOM 531 ND2 ASN A 34 -1.736 10.451 8.556 1.00 0.00 N ATOM 0 H ASN A 34 -2.476 6.403 9.945 1.00 0.00 H new ATOM 0 HA ASN A 34 -3.777 8.630 11.230 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -2.418 7.990 8.754 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -3.953 8.752 8.389 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -1.289 11.358 8.691 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -1.526 9.897 7.726 1.00 0.00 H new ATOM 538 N GLU A 35 -5.501 6.640 9.214 1.00 0.00 N ATOM 539 CA GLU A 35 -6.852 6.200 8.880 1.00 0.00 C ATOM 540 C GLU A 35 -7.494 5.522 10.085 1.00 0.00 C ATOM 541 O GLU A 35 -8.716 5.489 10.216 1.00 0.00 O ATOM 542 CB GLU A 35 -6.831 5.255 7.678 1.00 0.00 C ATOM 543 CG GLU A 35 -6.686 5.970 6.343 1.00 0.00 C ATOM 544 CD GLU A 35 -7.321 7.349 6.335 1.00 0.00 C ATOM 545 OE1 GLU A 35 -6.633 8.322 6.714 1.00 0.00 O ATOM 546 OE2 GLU A 35 -8.507 7.454 5.961 1.00 0.00 O ATOM 0 H GLU A 35 -4.761 6.137 8.725 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.447 7.073 8.612 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.007 4.551 7.795 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -7.751 4.671 7.670 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.627 6.062 6.100 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -7.141 5.362 5.561 1.00 0.00 H new ATOM 553 N ALA A 36 -6.654 5.017 10.985 1.00 0.00 N ATOM 554 CA ALA A 36 -7.107 4.380 12.203 1.00 0.00 C ATOM 555 C ALA A 36 -7.627 5.441 13.160 1.00 0.00 C ATOM 556 O ALA A 36 -8.739 5.338 13.676 1.00 0.00 O ATOM 557 CB ALA A 36 -5.960 3.604 12.836 1.00 0.00 C ATOM 0 H ALA A 36 -5.639 5.042 10.883 1.00 0.00 H new ATOM 0 HA ALA A 36 -7.912 3.681 11.977 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.306 3.126 13.753 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -5.608 2.842 12.140 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -5.143 4.287 13.069 1.00 0.00 H new ATOM 563 N ARG A 37 -6.815 6.484 13.368 1.00 0.00 N ATOM 564 CA ARG A 37 -7.201 7.590 14.233 1.00 0.00 C ATOM 565 C ARG A 37 -8.340 8.368 13.613 1.00 0.00 C ATOM 566 O ARG A 37 -9.386 8.570 14.230 1.00 0.00 O ATOM 567 CB ARG A 37 -6.047 8.557 14.431 1.00 0.00 C ATOM 568 CG ARG A 37 -5.532 8.615 15.857 1.00 0.00 C ATOM 569 CD ARG A 37 -6.605 9.102 16.823 1.00 0.00 C ATOM 570 NE ARG A 37 -6.802 8.168 17.936 1.00 0.00 N ATOM 571 CZ ARG A 37 -7.865 8.164 18.733 1.00 0.00 C ATOM 572 NH1 ARG A 37 -8.841 9.036 18.560 1.00 0.00 N ATOM 573 NH2 ARG A 37 -7.950 7.283 19.708 1.00 0.00 N ATOM 0 H ARG A 37 -5.891 6.580 12.948 1.00 0.00 H new ATOM 0 HA ARG A 37 -7.499 7.161 15.190 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -5.228 8.271 13.771 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -6.366 9.555 14.129 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -5.190 7.626 16.161 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -4.669 9.279 15.906 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -6.324 10.080 17.215 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -7.545 9.231 16.287 1.00 0.00 H new ATOM 0 HE ARG A 37 -6.074 7.475 18.110 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -8.784 9.723 17.808 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -9.652 9.023 19.178 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -7.201 6.606 19.850 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -8.765 7.278 20.321 1.00 0.00 H new ATOM 587 N ARG A 38 -8.098 8.831 12.392 1.00 0.00 N ATOM 588 CA ARG A 38 -9.074 9.625 11.674 1.00 0.00 C ATOM 589 C ARG A 38 -10.367 8.842 11.440 1.00 0.00 C ATOM 590 O ARG A 38 -11.456 9.370 11.668 1.00 0.00 O ATOM 591 CB ARG A 38 -8.503 10.124 10.342 1.00 0.00 C ATOM 592 CG ARG A 38 -8.833 11.582 10.050 1.00 0.00 C ATOM 593 CD ARG A 38 -7.668 12.497 10.396 1.00 0.00 C ATOM 594 NE ARG A 38 -8.120 13.780 10.951 1.00 0.00 N ATOM 595 CZ ARG A 38 -7.408 14.902 10.921 1.00 0.00 C ATOM 596 NH1 ARG A 38 -6.196 14.913 10.402 1.00 0.00 N ATOM 597 NH2 ARG A 38 -7.909 16.013 11.425 1.00 0.00 N ATOM 0 H ARG A 38 -7.230 8.667 11.882 1.00 0.00 H new ATOM 0 HA ARG A 38 -9.311 10.490 12.294 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -7.420 9.999 10.350 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -8.890 9.503 9.534 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -9.085 11.695 8.996 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -9.712 11.879 10.622 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -7.018 12.000 11.116 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -7.072 12.679 9.502 1.00 0.00 H new ATOM 0 HE ARG A 38 -9.041 13.812 11.388 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -5.797 14.056 10.019 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -5.657 15.779 10.383 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -8.842 16.011 11.837 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -7.363 16.875 11.403 1.00 0.00 H new ATOM 1184 N LYS B 102 -4.820 -9.427 -10.308 1.00 0.00 N ATOM 1185 CA LYS B 102 -4.762 -9.521 -8.844 1.00 0.00 C ATOM 1186 C LYS B 102 -3.319 -9.624 -8.362 1.00 0.00 C ATOM 1187 O LYS B 102 -2.726 -10.706 -8.349 1.00 0.00 O ATOM 1188 CB LYS B 102 -5.566 -10.715 -8.302 1.00 0.00 C ATOM 1189 CG LYS B 102 -5.689 -11.890 -9.269 1.00 0.00 C ATOM 1190 CD LYS B 102 -4.577 -12.912 -9.066 1.00 0.00 C ATOM 1191 CE LYS B 102 -5.115 -14.238 -8.550 1.00 0.00 C ATOM 1192 NZ LYS B 102 -6.019 -14.898 -9.539 1.00 0.00 N ATOM 0 HA LYS B 102 -5.213 -8.606 -8.458 1.00 0.00 H new ATOM 0 HB2 LYS B 102 -5.096 -11.065 -7.383 1.00 0.00 H new ATOM 0 HB3 LYS B 102 -6.567 -10.373 -8.038 1.00 0.00 H new ATOM 0 HG2 LYS B 102 -6.656 -12.374 -9.131 1.00 0.00 H new ATOM 0 HG3 LYS B 102 -5.660 -11.521 -10.294 1.00 0.00 H new ATOM 0 HD2 LYS B 102 -4.056 -13.074 -10.009 1.00 0.00 H new ATOM 0 HD3 LYS B 102 -3.845 -12.518 -8.361 1.00 0.00 H new ATOM 0 HE2 LYS B 102 -4.282 -14.903 -8.320 1.00 0.00 H new ATOM 0 HE3 LYS B 102 -5.656 -14.072 -7.619 1.00 0.00 H new ATOM 0 HZ1 LYS B 102 -6.079 -15.915 -9.330 1.00 0.00 H new ATOM 0 HZ2 LYS B 102 -6.967 -14.476 -9.478 1.00 0.00 H new ATOM 0 HZ3 LYS B 102 -5.641 -14.764 -10.499 1.00 0.00 H new ATOM 1206 N GLN B 103 -2.764 -8.494 -7.946 1.00 0.00 N ATOM 1207 CA GLN B 103 -1.401 -8.458 -7.444 1.00 0.00 C ATOM 1208 C GLN B 103 -1.409 -8.478 -5.934 1.00 0.00 C ATOM 1209 O GLN B 103 -1.892 -7.551 -5.291 1.00 0.00 O ATOM 1210 CB GLN B 103 -0.640 -7.222 -7.957 1.00 0.00 C ATOM 1211 CG GLN B 103 0.732 -7.059 -7.316 1.00 0.00 C ATOM 1212 CD GLN B 103 1.726 -6.315 -8.188 1.00 0.00 C ATOM 1213 OE1 GLN B 103 1.354 -5.564 -9.084 1.00 0.00 O ATOM 1214 NE2 GLN B 103 3.006 -6.505 -7.910 1.00 0.00 N ATOM 0 H GLN B 103 -3.238 -7.591 -7.947 1.00 0.00 H new ATOM 0 HA GLN B 103 -0.882 -9.342 -7.815 1.00 0.00 H new ATOM 0 HB2 GLN B 103 -0.523 -7.297 -9.038 1.00 0.00 H new ATOM 0 HB3 GLN B 103 -1.234 -6.329 -7.762 1.00 0.00 H new ATOM 0 HG2 GLN B 103 0.621 -6.527 -6.371 1.00 0.00 H new ATOM 0 HG3 GLN B 103 1.134 -8.045 -7.082 1.00 0.00 H new ATOM 0 HE21 GLN B 103 3.276 -7.138 -7.157 1.00 0.00 H new ATOM 0 HE22 GLN B 103 3.723 -6.019 -8.449 1.00 0.00 H new ATOM 1223 N ARG B 104 -0.892 -9.551 -5.365 1.00 0.00 N ATOM 1224 CA ARG B 104 -0.890 -9.681 -3.926 1.00 0.00 C ATOM 1225 C ARG B 104 0.209 -8.841 -3.293 1.00 0.00 C ATOM 1226 O ARG B 104 1.376 -9.225 -3.275 1.00 0.00 O ATOM 1227 CB ARG B 104 -0.715 -11.136 -3.513 1.00 0.00 C ATOM 1228 CG ARG B 104 -1.600 -11.530 -2.347 1.00 0.00 C ATOM 1229 CD ARG B 104 -1.817 -13.028 -2.296 1.00 0.00 C ATOM 1230 NE ARG B 104 -3.235 -13.389 -2.370 1.00 0.00 N ATOM 1231 CZ ARG B 104 -3.986 -13.279 -3.460 1.00 0.00 C ATOM 1232 NH1 ARG B 104 -3.478 -12.805 -4.578 1.00 0.00 N ATOM 1233 NH2 ARG B 104 -5.249 -13.654 -3.428 1.00 0.00 N ATOM 0 H ARG B 104 -0.475 -10.332 -5.871 1.00 0.00 H new ATOM 0 HA ARG B 104 -1.855 -9.319 -3.570 1.00 0.00 H new ATOM 0 HB2 ARG B 104 -0.937 -11.779 -4.365 1.00 0.00 H new ATOM 0 HB3 ARG B 104 0.327 -11.310 -3.246 1.00 0.00 H new ATOM 0 HG2 ARG B 104 -1.145 -11.195 -1.415 1.00 0.00 H new ATOM 0 HG3 ARG B 104 -2.562 -11.025 -2.432 1.00 0.00 H new ATOM 0 HD2 ARG B 104 -1.281 -13.498 -3.121 1.00 0.00 H new ATOM 0 HD3 ARG B 104 -1.392 -13.423 -1.373 1.00 0.00 H new ATOM 0 HE ARG B 104 -3.677 -13.750 -1.525 1.00 0.00 H new ATOM 0 HH11 ARG B 104 -2.500 -12.518 -4.612 1.00 0.00 H new ATOM 0 HH12 ARG B 104 -4.063 -12.724 -5.410 1.00 0.00 H new ATOM 0 HH21 ARG B 104 -5.648 -14.028 -2.567 1.00 0.00 H new ATOM 0 HH22 ARG B 104 -5.827 -13.570 -4.264 1.00 0.00 H new ATOM 1247 N ILE B 105 -0.190 -7.706 -2.743 1.00 0.00 N ATOM 1248 CA ILE B 105 0.737 -6.820 -2.062 1.00 0.00 C ATOM 1249 C ILE B 105 0.577 -7.050 -0.578 1.00 0.00 C ATOM 1250 O ILE B 105 -0.470 -6.763 -0.012 1.00 0.00 O ATOM 1251 CB ILE B 105 0.487 -5.346 -2.431 1.00 0.00 C ATOM 1252 CG1 ILE B 105 -0.489 -4.676 -1.462 1.00 0.00 C ATOM 1253 CG2 ILE B 105 -0.044 -5.276 -3.851 1.00 0.00 C ATOM 1254 CD1 ILE B 105 -0.634 -3.193 -1.678 1.00 0.00 C ATOM 0 H ILE B 105 -1.155 -7.376 -2.756 1.00 0.00 H new ATOM 0 HA ILE B 105 1.759 -7.039 -2.371 1.00 0.00 H new ATOM 0 HB ILE B 105 1.431 -4.805 -2.359 1.00 0.00 H new ATOM 0 HG12 ILE B 105 -1.467 -5.146 -1.562 1.00 0.00 H new ATOM 0 HG13 ILE B 105 -0.153 -4.854 -0.441 1.00 0.00 H new ATOM 0 HG21 ILE B 105 -0.224 -4.235 -4.121 1.00 0.00 H new ATOM 0 HG22 ILE B 105 0.687 -5.707 -4.535 1.00 0.00 H new ATOM 0 HG23 ILE B 105 -0.977 -5.835 -3.918 1.00 0.00 H new ATOM 0 HD11 ILE B 105 -1.342 -2.787 -0.955 1.00 0.00 H new ATOM 0 HD12 ILE B 105 0.335 -2.710 -1.548 1.00 0.00 H new ATOM 0 HD13 ILE B 105 -1.000 -3.006 -2.688 1.00 0.00 H new ATOM 1266 N THR B 106 1.571 -7.652 0.038 1.00 0.00 N ATOM 1267 CA THR B 106 1.458 -7.995 1.440 1.00 0.00 C ATOM 1268 C THR B 106 2.456 -7.255 2.336 1.00 0.00 C ATOM 1269 O THR B 106 3.662 -7.494 2.274 1.00 0.00 O ATOM 1270 CB THR B 106 1.574 -9.532 1.604 1.00 0.00 C ATOM 1271 OG1 THR B 106 2.667 -9.898 2.429 1.00 0.00 O ATOM 1272 CG2 THR B 106 1.731 -10.288 0.292 1.00 0.00 C ATOM 0 H THR B 106 2.454 -7.911 -0.401 1.00 0.00 H new ATOM 0 HA THR B 106 0.476 -7.664 1.779 1.00 0.00 H new ATOM 0 HB THR B 106 0.625 -9.813 2.062 1.00 0.00 H new ATOM 0 HG1 THR B 106 3.424 -9.301 2.253 1.00 0.00 H new ATOM 0 HG21 THR B 106 1.805 -11.356 0.494 1.00 0.00 H new ATOM 0 HG22 THR B 106 0.866 -10.098 -0.343 1.00 0.00 H new ATOM 0 HG23 THR B 106 2.635 -9.951 -0.216 1.00 0.00 H new ATOM 1280 N VAL B 107 1.920 -6.439 3.256 1.00 0.00 N ATOM 1281 CA VAL B 107 2.736 -5.767 4.271 1.00 0.00 C ATOM 1282 C VAL B 107 2.560 -6.562 5.549 1.00 0.00 C ATOM 1283 O VAL B 107 1.502 -6.502 6.177 1.00 0.00 O ATOM 1284 CB VAL B 107 2.375 -4.261 4.528 1.00 0.00 C ATOM 1285 CG1 VAL B 107 0.885 -3.991 4.374 1.00 0.00 C ATOM 1286 CG2 VAL B 107 2.849 -3.796 5.920 1.00 0.00 C ATOM 0 H VAL B 107 0.923 -6.230 3.316 1.00 0.00 H new ATOM 0 HA VAL B 107 3.765 -5.740 3.913 1.00 0.00 H new ATOM 0 HB VAL B 107 2.903 -3.687 3.766 1.00 0.00 H new ATOM 0 HG11 VAL B 107 0.685 -2.936 4.562 1.00 0.00 H new ATOM 0 HG12 VAL B 107 0.572 -4.245 3.361 1.00 0.00 H new ATOM 0 HG13 VAL B 107 0.329 -4.598 5.089 1.00 0.00 H new ATOM 0 HG21 VAL B 107 2.583 -2.749 6.064 1.00 0.00 H new ATOM 0 HG22 VAL B 107 2.369 -4.402 6.689 1.00 0.00 H new ATOM 0 HG23 VAL B 107 3.931 -3.908 5.992 1.00 0.00 H new ATOM 1296 N THR B 108 3.557 -7.346 5.917 1.00 0.00 N ATOM 1297 CA THR B 108 3.452 -8.167 7.105 1.00 0.00 C ATOM 1298 C THR B 108 3.479 -7.303 8.365 1.00 0.00 C ATOM 1299 O THR B 108 4.530 -7.085 8.966 1.00 0.00 O ATOM 1300 CB THR B 108 4.557 -9.215 7.111 1.00 0.00 C ATOM 1301 OG1 THR B 108 5.842 -8.630 6.984 1.00 0.00 O ATOM 1302 CG2 THR B 108 4.401 -10.239 6.026 1.00 0.00 C ATOM 0 H THR B 108 4.440 -7.430 5.414 1.00 0.00 H new ATOM 0 HA THR B 108 2.495 -8.688 7.096 1.00 0.00 H new ATOM 0 HB THR B 108 4.466 -9.710 8.078 1.00 0.00 H new ATOM 0 HG1 THR B 108 5.924 -7.881 7.611 1.00 0.00 H new ATOM 0 HG21 THR B 108 5.219 -10.957 6.083 1.00 0.00 H new ATOM 0 HG22 THR B 108 3.451 -10.759 6.151 1.00 0.00 H new ATOM 0 HG23 THR B 108 4.419 -9.745 5.054 1.00 0.00 H new ATOM 1310 N VAL B 109 2.304 -6.797 8.744 1.00 0.00 N ATOM 1311 CA VAL B 109 2.177 -5.934 9.915 1.00 0.00 C ATOM 1312 C VAL B 109 2.088 -6.741 11.220 1.00 0.00 C ATOM 1313 O VAL B 109 2.859 -7.679 11.404 1.00 0.00 O ATOM 1314 CB VAL B 109 0.983 -4.956 9.802 1.00 0.00 C ATOM 1315 CG1 VAL B 109 1.254 -3.713 10.635 1.00 0.00 C ATOM 1316 CG2 VAL B 109 0.715 -4.560 8.358 1.00 0.00 C ATOM 0 H VAL B 109 1.426 -6.972 8.254 1.00 0.00 H new ATOM 0 HA VAL B 109 3.090 -5.339 9.947 1.00 0.00 H new ATOM 0 HB VAL B 109 0.097 -5.467 10.178 1.00 0.00 H new ATOM 0 HG11 VAL B 109 0.410 -3.028 10.552 1.00 0.00 H new ATOM 0 HG12 VAL B 109 1.389 -3.997 11.679 1.00 0.00 H new ATOM 0 HG13 VAL B 109 2.157 -3.222 10.273 1.00 0.00 H new ATOM 0 HG21 VAL B 109 -0.130 -3.873 8.320 1.00 0.00 H new ATOM 0 HG22 VAL B 109 1.598 -4.072 7.945 1.00 0.00 H new ATOM 0 HG23 VAL B 109 0.485 -5.451 7.773 1.00 0.00 H new ATOM 1326 N ASP B 110 1.205 -6.327 12.154 1.00 0.00 N ATOM 1327 CA ASP B 110 1.093 -6.963 13.475 1.00 0.00 C ATOM 1328 C ASP B 110 2.120 -6.318 14.420 1.00 0.00 C ATOM 1329 O ASP B 110 2.140 -6.568 15.627 1.00 0.00 O ATOM 1330 CB ASP B 110 1.301 -8.472 13.399 1.00 0.00 C ATOM 1331 CG ASP B 110 0.637 -9.212 14.539 1.00 0.00 C ATOM 1332 OD1 ASP B 110 1.270 -9.348 15.607 1.00 0.00 O ATOM 1333 OD2 ASP B 110 -0.515 -9.654 14.363 1.00 0.00 O ATOM 0 H ASP B 110 0.559 -5.551 12.012 1.00 0.00 H new ATOM 0 HA ASP B 110 0.084 -6.806 13.857 1.00 0.00 H new ATOM 0 HB2 ASP B 110 0.906 -8.842 12.453 1.00 0.00 H new ATOM 0 HB3 ASP B 110 2.369 -8.688 13.405 1.00 0.00 H new ATOM 1338 N SER B 111 2.935 -5.441 13.835 1.00 0.00 N ATOM 1339 CA SER B 111 3.942 -4.677 14.546 1.00 0.00 C ATOM 1340 C SER B 111 3.725 -3.201 14.225 1.00 0.00 C ATOM 1341 O SER B 111 3.444 -2.406 15.118 1.00 0.00 O ATOM 1342 CB SER B 111 5.354 -5.121 14.148 1.00 0.00 C ATOM 1343 OG SER B 111 6.140 -5.408 15.296 1.00 0.00 O ATOM 0 H SER B 111 2.908 -5.243 12.835 1.00 0.00 H new ATOM 0 HA SER B 111 3.847 -4.845 15.619 1.00 0.00 H new ATOM 0 HB2 SER B 111 5.296 -6.005 13.513 1.00 0.00 H new ATOM 0 HB3 SER B 111 5.834 -4.338 13.561 1.00 0.00 H new ATOM 0 HG SER B 111 7.036 -5.691 15.017 1.00 0.00 H new ATOM 1349 N ASP B 112 3.880 -2.848 12.937 1.00 0.00 N ATOM 1350 CA ASP B 112 3.724 -1.475 12.471 1.00 0.00 C ATOM 1351 C ASP B 112 2.442 -0.793 13.010 1.00 0.00 C ATOM 1352 O ASP B 112 2.476 -0.198 14.089 1.00 0.00 O ATOM 1353 CB ASP B 112 3.762 -1.479 10.949 1.00 0.00 C ATOM 1354 CG ASP B 112 5.139 -1.154 10.407 1.00 0.00 C ATOM 1355 OD1 ASP B 112 5.977 -2.076 10.340 1.00 0.00 O ATOM 1356 OD2 ASP B 112 5.376 0.021 10.052 1.00 0.00 O ATOM 0 H ASP B 112 4.116 -3.510 12.198 1.00 0.00 H new ATOM 0 HA ASP B 112 4.547 -0.879 12.864 1.00 0.00 H new ATOM 0 HB2 ASP B 112 3.452 -2.458 10.583 1.00 0.00 H new ATOM 0 HB3 ASP B 112 3.043 -0.753 10.568 1.00 0.00 H new ATOM 1361 N SER B 113 1.312 -0.851 12.272 1.00 0.00 N ATOM 1362 CA SER B 113 0.059 -0.212 12.728 1.00 0.00 C ATOM 1363 C SER B 113 -1.094 -0.446 11.722 1.00 0.00 C ATOM 1364 O SER B 113 -1.897 0.447 11.457 1.00 0.00 O ATOM 1365 CB SER B 113 0.279 1.292 12.936 1.00 0.00 C ATOM 1366 OG SER B 113 -0.873 1.902 13.496 1.00 0.00 O ATOM 0 H SER B 113 1.241 -1.326 11.372 1.00 0.00 H new ATOM 0 HA SER B 113 -0.224 -0.669 13.676 1.00 0.00 H new ATOM 0 HB2 SER B 113 1.134 1.451 13.593 1.00 0.00 H new ATOM 0 HB3 SER B 113 0.517 1.764 11.983 1.00 0.00 H new ATOM 0 HG SER B 113 -1.665 1.637 12.983 1.00 0.00 H new ATOM 1372 N TYR B 114 -1.155 -1.664 11.185 1.00 0.00 N ATOM 1373 CA TYR B 114 -2.184 -2.081 10.212 1.00 0.00 C ATOM 1374 C TYR B 114 -3.490 -2.511 10.887 1.00 0.00 C ATOM 1375 O TYR B 114 -4.583 -2.258 10.381 1.00 0.00 O ATOM 1376 CB TYR B 114 -1.652 -3.260 9.412 1.00 0.00 C ATOM 1377 CG TYR B 114 -2.691 -4.307 9.102 1.00 0.00 C ATOM 1378 CD1 TYR B 114 -3.480 -4.195 7.978 1.00 0.00 C ATOM 1379 CD2 TYR B 114 -2.876 -5.403 9.931 1.00 0.00 C ATOM 1380 CE1 TYR B 114 -4.426 -5.148 7.670 1.00 0.00 C ATOM 1381 CE2 TYR B 114 -3.817 -6.365 9.637 1.00 0.00 C ATOM 1382 CZ TYR B 114 -4.590 -6.233 8.499 1.00 0.00 C ATOM 1383 OH TYR B 114 -5.525 -7.188 8.187 1.00 0.00 O ATOM 0 H TYR B 114 -0.488 -2.402 11.411 1.00 0.00 H new ATOM 0 HA TYR B 114 -2.399 -1.223 9.575 1.00 0.00 H new ATOM 0 HB2 TYR B 114 -1.232 -2.891 8.476 1.00 0.00 H new ATOM 0 HB3 TYR B 114 -0.837 -3.724 9.967 1.00 0.00 H new ATOM 0 HD1 TYR B 114 -3.354 -3.343 7.326 1.00 0.00 H new ATOM 0 HD2 TYR B 114 -2.273 -5.504 10.821 1.00 0.00 H new ATOM 0 HE1 TYR B 114 -5.034 -5.044 6.784 1.00 0.00 H new ATOM 0 HE2 TYR B 114 -3.950 -7.215 10.290 1.00 0.00 H new ATOM 0 HH TYR B 114 -5.313 -8.020 8.660 1.00 0.00 H new ATOM 1393 N GLN B 115 -3.350 -3.250 11.984 1.00 0.00 N ATOM 1394 CA GLN B 115 -4.497 -3.831 12.683 1.00 0.00 C ATOM 1395 C GLN B 115 -5.639 -2.840 12.956 1.00 0.00 C ATOM 1396 O GLN B 115 -6.796 -3.217 12.829 1.00 0.00 O ATOM 1397 CB GLN B 115 -4.057 -4.511 13.990 1.00 0.00 C ATOM 1398 CG GLN B 115 -2.679 -5.175 13.936 1.00 0.00 C ATOM 1399 CD GLN B 115 -1.533 -4.200 14.151 1.00 0.00 C ATOM 1400 OE1 GLN B 115 -0.948 -3.697 13.189 1.00 0.00 O ATOM 1401 NE2 GLN B 115 -1.202 -3.930 15.404 1.00 0.00 N ATOM 0 H GLN B 115 -2.449 -3.463 12.412 1.00 0.00 H new ATOM 0 HA GLN B 115 -4.903 -4.576 11.999 1.00 0.00 H new ATOM 0 HB2 GLN B 115 -4.056 -3.768 14.787 1.00 0.00 H new ATOM 0 HB3 GLN B 115 -4.798 -5.264 14.258 1.00 0.00 H new ATOM 0 HG2 GLN B 115 -2.630 -5.956 14.695 1.00 0.00 H new ATOM 0 HG3 GLN B 115 -2.556 -5.662 12.969 1.00 0.00 H new ATOM 0 HE21 GLN B 115 -1.712 -4.368 16.172 1.00 0.00 H new ATOM 0 HE22 GLN B 115 -0.437 -3.284 15.602 1.00 0.00 H new ATOM 1410 N LEU B 116 -5.350 -1.597 13.323 1.00 0.00 N ATOM 1411 CA LEU B 116 -6.429 -0.629 13.589 1.00 0.00 C ATOM 1412 C LEU B 116 -7.327 -0.414 12.355 1.00 0.00 C ATOM 1413 O LEU B 116 -8.552 -0.487 12.453 1.00 0.00 O ATOM 1414 CB LEU B 116 -5.860 0.714 14.050 1.00 0.00 C ATOM 1415 CG LEU B 116 -6.309 1.158 15.446 1.00 0.00 C ATOM 1416 CD1 LEU B 116 -5.384 2.233 15.993 1.00 0.00 C ATOM 1417 CD2 LEU B 116 -7.746 1.660 15.410 1.00 0.00 C ATOM 0 H LEU B 116 -4.405 -1.233 13.443 1.00 0.00 H new ATOM 0 HA LEU B 116 -7.040 -1.052 14.386 1.00 0.00 H new ATOM 0 HB2 LEU B 116 -4.772 0.656 14.035 1.00 0.00 H new ATOM 0 HB3 LEU B 116 -6.148 1.481 13.330 1.00 0.00 H new ATOM 0 HG LEU B 116 -6.260 0.295 16.110 1.00 0.00 H new ATOM 0 HD11 LEU B 116 -5.722 2.533 16.985 1.00 0.00 H new ATOM 0 HD12 LEU B 116 -4.369 1.841 16.058 1.00 0.00 H new ATOM 0 HD13 LEU B 116 -5.397 3.097 15.328 1.00 0.00 H new ATOM 0 HD21 LEU B 116 -8.048 1.971 16.410 1.00 0.00 H new ATOM 0 HD22 LEU B 116 -7.818 2.508 14.729 1.00 0.00 H new ATOM 0 HD23 LEU B 116 -8.402 0.861 15.065 1.00 0.00 H new ATOM 1429 N LEU B 117 -6.699 -0.135 11.210 1.00 0.00 N ATOM 1430 CA LEU B 117 -7.452 0.108 9.962 1.00 0.00 C ATOM 1431 C LEU B 117 -8.414 -1.038 9.648 1.00 0.00 C ATOM 1432 O LEU B 117 -9.567 -0.827 9.262 1.00 0.00 O ATOM 1433 CB LEU B 117 -6.521 0.287 8.785 1.00 0.00 C ATOM 1434 CG LEU B 117 -6.500 1.692 8.190 1.00 0.00 C ATOM 1435 CD1 LEU B 117 -5.581 1.754 6.993 1.00 0.00 C ATOM 1436 CD2 LEU B 117 -7.894 2.110 7.788 1.00 0.00 C ATOM 0 H LEU B 117 -5.686 -0.071 11.114 1.00 0.00 H new ATOM 0 HA LEU B 117 -8.023 1.023 10.123 1.00 0.00 H new ATOM 0 HB2 LEU B 117 -5.510 0.025 9.097 1.00 0.00 H new ATOM 0 HB3 LEU B 117 -6.806 -0.418 8.004 1.00 0.00 H new ATOM 0 HG LEU B 117 -6.126 2.378 8.951 1.00 0.00 H new ATOM 0 HD11 LEU B 117 -5.582 2.765 6.585 1.00 0.00 H new ATOM 0 HD12 LEU B 117 -4.569 1.486 7.297 1.00 0.00 H new ATOM 0 HD13 LEU B 117 -5.928 1.055 6.231 1.00 0.00 H new ATOM 0 HD21 LEU B 117 -7.865 3.114 7.365 1.00 0.00 H new ATOM 0 HD22 LEU B 117 -8.282 1.414 7.044 1.00 0.00 H new ATOM 0 HD23 LEU B 117 -8.543 2.104 8.664 1.00 0.00 H new ATOM 1448 N LYS B 118 -7.917 -2.248 9.819 1.00 0.00 N ATOM 1449 CA LYS B 118 -8.693 -3.460 9.571 1.00 0.00 C ATOM 1450 C LYS B 118 -9.623 -3.745 10.738 1.00 0.00 C ATOM 1451 O LYS B 118 -10.730 -4.257 10.569 1.00 0.00 O ATOM 1452 CB LYS B 118 -7.755 -4.642 9.325 1.00 0.00 C ATOM 1453 CG LYS B 118 -6.866 -4.936 10.513 1.00 0.00 C ATOM 1454 CD LYS B 118 -6.790 -6.433 10.788 1.00 0.00 C ATOM 1455 CE LYS B 118 -6.010 -6.755 12.053 1.00 0.00 C ATOM 1456 NZ LYS B 118 -5.807 -8.228 12.217 1.00 0.00 N ATOM 0 H LYS B 118 -6.963 -2.424 10.134 1.00 0.00 H new ATOM 0 HA LYS B 118 -9.303 -3.310 8.681 1.00 0.00 H new ATOM 0 HB2 LYS B 118 -8.346 -5.527 9.090 1.00 0.00 H new ATOM 0 HB3 LYS B 118 -7.134 -4.433 8.454 1.00 0.00 H new ATOM 0 HG2 LYS B 118 -5.865 -4.547 10.327 1.00 0.00 H new ATOM 0 HG3 LYS B 118 -7.250 -4.421 11.394 1.00 0.00 H new ATOM 0 HD2 LYS B 118 -7.800 -6.834 10.876 1.00 0.00 H new ATOM 0 HD3 LYS B 118 -6.321 -6.931 9.939 1.00 0.00 H new ATOM 0 HE2 LYS B 118 -5.042 -6.255 12.021 1.00 0.00 H new ATOM 0 HE3 LYS B 118 -6.543 -6.362 12.919 1.00 0.00 H new ATOM 0 HZ1 LYS B 118 -5.942 -8.488 13.215 1.00 0.00 H new ATOM 0 HZ2 LYS B 118 -6.495 -8.741 11.629 1.00 0.00 H new ATOM 0 HZ3 LYS B 118 -4.842 -8.481 11.921 1.00 0.00 H new ATOM 1470 N ALA B 119 -9.154 -3.374 11.919 1.00 0.00 N ATOM 1471 CA ALA B 119 -9.913 -3.539 13.148 1.00 0.00 C ATOM 1472 C ALA B 119 -11.195 -2.729 13.084 1.00 0.00 C ATOM 1473 O ALA B 119 -12.185 -3.076 13.729 1.00 0.00 O ATOM 1474 CB ALA B 119 -9.082 -3.123 14.355 1.00 0.00 C ATOM 0 H ALA B 119 -8.236 -2.950 12.052 1.00 0.00 H new ATOM 0 HA ALA B 119 -10.168 -4.593 13.257 1.00 0.00 H new ATOM 0 HB1 ALA B 119 -9.669 -3.255 15.264 1.00 0.00 H new ATOM 0 HB2 ALA B 119 -8.185 -3.740 14.410 1.00 0.00 H new ATOM 0 HB3 ALA B 119 -8.796 -2.076 14.256 1.00 0.00 H new ATOM 1480 N TYR B 120 -11.185 -1.651 12.291 1.00 0.00 N ATOM 1481 CA TYR B 120 -12.369 -0.835 12.162 1.00 0.00 C ATOM 1482 C TYR B 120 -13.273 -1.359 11.046 1.00 0.00 C ATOM 1483 O TYR B 120 -14.480 -1.405 11.266 1.00 0.00 O ATOM 1484 CB TYR B 120 -12.034 0.669 12.076 1.00 0.00 C ATOM 1485 CG TYR B 120 -11.636 1.252 10.735 1.00 0.00 C ATOM 1486 CD1 TYR B 120 -12.329 0.974 9.566 1.00 0.00 C ATOM 1487 CD2 TYR B 120 -10.569 2.141 10.662 1.00 0.00 C ATOM 1488 CE1 TYR B 120 -11.963 1.558 8.371 1.00 0.00 C ATOM 1489 CE2 TYR B 120 -10.202 2.722 9.475 1.00 0.00 C ATOM 1490 CZ TYR B 120 -10.898 2.429 8.330 1.00 0.00 C ATOM 1491 OH TYR B 120 -10.536 3.017 7.140 1.00 0.00 O ATOM 0 H TYR B 120 -10.382 -1.339 11.745 1.00 0.00 H new ATOM 0 HA TYR B 120 -12.955 -0.923 13.077 1.00 0.00 H new ATOM 0 HB2 TYR B 120 -12.904 1.222 12.431 1.00 0.00 H new ATOM 0 HB3 TYR B 120 -11.222 0.867 12.776 1.00 0.00 H new ATOM 0 HD1 TYR B 120 -13.166 0.292 9.592 1.00 0.00 H new ATOM 0 HD2 TYR B 120 -10.017 2.379 11.559 1.00 0.00 H new ATOM 0 HE1 TYR B 120 -12.512 1.332 7.469 1.00 0.00 H new ATOM 0 HE2 TYR B 120 -9.368 3.408 9.442 1.00 0.00 H new ATOM 0 HH TYR B 120 -10.143 3.897 7.316 1.00 0.00 H new ATOM 1501 N ASP B 121 -12.693 -1.819 9.894 1.00 0.00 N ATOM 1502 CA ASP B 121 -13.499 -2.426 8.792 1.00 0.00 C ATOM 1503 C ASP B 121 -13.066 -1.983 7.390 1.00 0.00 C ATOM 1504 O ASP B 121 -13.892 -1.561 6.577 1.00 0.00 O ATOM 1505 CB ASP B 121 -15.006 -2.172 8.970 1.00 0.00 C ATOM 1506 CG ASP B 121 -15.869 -2.900 7.956 1.00 0.00 C ATOM 1507 OD1 ASP B 121 -15.599 -4.091 7.693 1.00 0.00 O ATOM 1508 OD2 ASP B 121 -16.825 -2.284 7.440 1.00 0.00 O ATOM 0 H ASP B 121 -11.691 -1.781 9.709 1.00 0.00 H new ATOM 0 HA ASP B 121 -13.303 -3.496 8.868 1.00 0.00 H new ATOM 0 HB2 ASP B 121 -15.302 -2.479 9.973 1.00 0.00 H new ATOM 0 HB3 ASP B 121 -15.197 -1.101 8.895 1.00 0.00 H new ATOM 1513 N VAL B 122 -11.774 -2.067 7.101 1.00 0.00 N ATOM 1514 CA VAL B 122 -11.285 -1.661 5.786 1.00 0.00 C ATOM 1515 C VAL B 122 -9.923 -2.241 5.424 1.00 0.00 C ATOM 1516 O VAL B 122 -9.676 -2.519 4.250 1.00 0.00 O ATOM 1517 CB VAL B 122 -11.235 -0.127 5.677 1.00 0.00 C ATOM 1518 CG1 VAL B 122 -9.851 0.416 6.008 1.00 0.00 C ATOM 1519 CG2 VAL B 122 -11.666 0.320 4.291 1.00 0.00 C ATOM 0 H VAL B 122 -11.057 -2.405 7.743 1.00 0.00 H new ATOM 0 HA VAL B 122 -11.999 -2.070 5.071 1.00 0.00 H new ATOM 0 HB VAL B 122 -11.931 0.280 6.411 1.00 0.00 H new ATOM 0 HG11 VAL B 122 -9.856 1.502 5.920 1.00 0.00 H new ATOM 0 HG12 VAL B 122 -9.584 0.136 7.027 1.00 0.00 H new ATOM 0 HG13 VAL B 122 -9.121 -0.001 5.314 1.00 0.00 H new ATOM 0 HG21 VAL B 122 -11.625 1.408 4.230 1.00 0.00 H new ATOM 0 HG22 VAL B 122 -10.997 -0.110 3.546 1.00 0.00 H new ATOM 0 HG23 VAL B 122 -12.685 -0.016 4.101 1.00 0.00 H new ATOM 1529 N ASN B 123 -9.019 -2.359 6.400 1.00 0.00 N ATOM 1530 CA ASN B 123 -7.667 -2.837 6.142 1.00 0.00 C ATOM 1531 C ASN B 123 -7.024 -1.957 5.060 1.00 0.00 C ATOM 1532 O ASN B 123 -6.718 -0.794 5.330 1.00 0.00 O ATOM 1533 CB ASN B 123 -7.626 -4.355 5.815 1.00 0.00 C ATOM 1534 CG ASN B 123 -8.481 -4.783 4.636 1.00 0.00 C ATOM 1535 OD1 ASN B 123 -8.100 -4.583 3.484 1.00 0.00 O ATOM 1536 ND2 ASN B 123 -9.626 -5.388 4.912 1.00 0.00 N ATOM 0 H ASN B 123 -9.204 -2.128 7.376 1.00 0.00 H new ATOM 0 HA ASN B 123 -7.072 -2.743 7.051 1.00 0.00 H new ATOM 0 HB2 ASN B 123 -6.593 -4.640 5.617 1.00 0.00 H new ATOM 0 HB3 ASN B 123 -7.947 -4.910 6.697 1.00 0.00 H new ATOM 0 HD21 ASN B 123 -10.229 -5.708 4.154 1.00 0.00 H new ATOM 0 HD22 ASN B 123 -9.905 -5.534 5.882 1.00 0.00 H new ATOM 1543 N ILE B 124 -6.812 -2.468 3.854 1.00 0.00 N ATOM 1544 CA ILE B 124 -6.198 -1.636 2.822 1.00 0.00 C ATOM 1545 C ILE B 124 -6.704 -1.858 1.407 1.00 0.00 C ATOM 1546 O ILE B 124 -6.190 -1.221 0.484 1.00 0.00 O ATOM 1547 CB ILE B 124 -4.669 -1.740 2.802 1.00 0.00 C ATOM 1548 CG1 ILE B 124 -4.196 -2.854 3.700 1.00 0.00 C ATOM 1549 CG2 ILE B 124 -4.056 -0.430 3.239 1.00 0.00 C ATOM 1550 CD1 ILE B 124 -4.797 -4.182 3.322 1.00 0.00 C ATOM 0 H ILE B 124 -7.045 -3.419 3.570 1.00 0.00 H new ATOM 0 HA ILE B 124 -6.510 -0.637 3.126 1.00 0.00 H new ATOM 0 HB ILE B 124 -4.353 -1.962 1.783 1.00 0.00 H new ATOM 0 HG12 ILE B 124 -3.109 -2.922 3.651 1.00 0.00 H new ATOM 0 HG13 ILE B 124 -4.455 -2.621 4.733 1.00 0.00 H new ATOM 0 HG21 ILE B 124 -2.969 -0.513 3.222 1.00 0.00 H new ATOM 0 HG22 ILE B 124 -4.370 0.363 2.560 1.00 0.00 H new ATOM 0 HG23 ILE B 124 -4.386 -0.194 4.251 1.00 0.00 H new ATOM 0 HD11 ILE B 124 -4.427 -4.954 3.997 1.00 0.00 H new ATOM 0 HD12 ILE B 124 -5.883 -4.124 3.397 1.00 0.00 H new ATOM 0 HD13 ILE B 124 -4.517 -4.430 2.298 1.00 0.00 H new ATOM 1562 N SER B 125 -7.668 -2.753 1.216 1.00 0.00 N ATOM 1563 CA SER B 125 -8.166 -3.022 -0.134 1.00 0.00 C ATOM 1564 C SER B 125 -8.245 -1.712 -0.932 1.00 0.00 C ATOM 1565 O SER B 125 -7.498 -1.516 -1.898 1.00 0.00 O ATOM 1566 CB SER B 125 -9.537 -3.693 -0.057 1.00 0.00 C ATOM 1567 OG SER B 125 -10.187 -3.704 -1.319 1.00 0.00 O ATOM 0 H SER B 125 -8.113 -3.294 1.957 1.00 0.00 H new ATOM 0 HA SER B 125 -7.479 -3.697 -0.645 1.00 0.00 H new ATOM 0 HB2 SER B 125 -9.422 -4.716 0.302 1.00 0.00 H new ATOM 0 HB3 SER B 125 -10.159 -3.168 0.668 1.00 0.00 H new ATOM 0 HG SER B 125 -11.060 -4.142 -1.234 1.00 0.00 H new ATOM 1573 N GLY B 126 -9.105 -0.791 -0.493 1.00 0.00 N ATOM 1574 CA GLY B 126 -9.211 0.497 -1.153 1.00 0.00 C ATOM 1575 C GLY B 126 -8.247 1.513 -0.564 1.00 0.00 C ATOM 1576 O GLY B 126 -7.817 2.439 -1.256 1.00 0.00 O ATOM 0 H GLY B 126 -9.727 -0.916 0.306 1.00 0.00 H new ATOM 0 HA2 GLY B 126 -9.008 0.378 -2.217 1.00 0.00 H new ATOM 0 HA3 GLY B 126 -10.232 0.869 -1.063 1.00 0.00 H new ATOM 1580 N LEU B 127 -7.893 1.324 0.717 1.00 0.00 N ATOM 1581 CA LEU B 127 -6.967 2.208 1.401 1.00 0.00 C ATOM 1582 C LEU B 127 -5.660 2.295 0.631 1.00 0.00 C ATOM 1583 O LEU B 127 -5.304 3.368 0.149 1.00 0.00 O ATOM 1584 CB LEU B 127 -6.712 1.691 2.817 1.00 0.00 C ATOM 1585 CG LEU B 127 -6.353 2.732 3.870 1.00 0.00 C ATOM 1586 CD1 LEU B 127 -4.911 2.539 4.298 1.00 0.00 C ATOM 1587 CD2 LEU B 127 -6.581 4.140 3.348 1.00 0.00 C ATOM 0 H LEU B 127 -8.243 0.559 1.294 1.00 0.00 H new ATOM 0 HA LEU B 127 -7.403 3.205 1.459 1.00 0.00 H new ATOM 0 HB2 LEU B 127 -7.604 1.162 3.152 1.00 0.00 H new ATOM 0 HB3 LEU B 127 -5.905 0.960 2.772 1.00 0.00 H new ATOM 0 HG LEU B 127 -7.003 2.598 4.735 1.00 0.00 H new ATOM 0 HD11 LEU B 127 -4.652 3.283 5.051 1.00 0.00 H new ATOM 0 HD12 LEU B 127 -4.786 1.540 4.716 1.00 0.00 H new ATOM 0 HD13 LEU B 127 -4.256 2.655 3.434 1.00 0.00 H new ATOM 0 HD21 LEU B 127 -6.316 4.862 4.121 1.00 0.00 H new ATOM 0 HD22 LEU B 127 -5.960 4.307 2.468 1.00 0.00 H new ATOM 0 HD23 LEU B 127 -7.630 4.263 3.080 1.00 0.00 H new ATOM 1599 N VAL B 128 -4.958 1.160 0.477 1.00 0.00 N ATOM 1600 CA VAL B 128 -3.719 1.156 -0.283 1.00 0.00 C ATOM 1601 C VAL B 128 -3.959 1.739 -1.685 1.00 0.00 C ATOM 1602 O VAL B 128 -3.311 2.691 -2.097 1.00 0.00 O ATOM 1603 CB VAL B 128 -3.159 -0.275 -0.380 1.00 0.00 C ATOM 1604 CG1 VAL B 128 -2.285 -0.449 -1.609 1.00 0.00 C ATOM 1605 CG2 VAL B 128 -2.392 -0.629 0.886 1.00 0.00 C ATOM 0 H VAL B 128 -5.228 0.256 0.864 1.00 0.00 H new ATOM 0 HA VAL B 128 -2.986 1.778 0.231 1.00 0.00 H new ATOM 0 HB VAL B 128 -4.001 -0.960 -0.480 1.00 0.00 H new ATOM 0 HG11 VAL B 128 -1.907 -1.471 -1.645 1.00 0.00 H new ATOM 0 HG12 VAL B 128 -2.873 -0.248 -2.505 1.00 0.00 H new ATOM 0 HG13 VAL B 128 -1.447 0.246 -1.561 1.00 0.00 H new ATOM 0 HG21 VAL B 128 -2.002 -1.643 0.803 1.00 0.00 H new ATOM 0 HG22 VAL B 128 -1.565 0.068 1.017 1.00 0.00 H new ATOM 0 HG23 VAL B 128 -3.059 -0.566 1.745 1.00 0.00 H new ATOM 1615 N SER B 129 -4.909 1.159 -2.402 1.00 0.00 N ATOM 1616 CA SER B 129 -5.254 1.581 -3.760 1.00 0.00 C ATOM 1617 C SER B 129 -5.416 3.095 -3.898 1.00 0.00 C ATOM 1618 O SER B 129 -4.869 3.691 -4.828 1.00 0.00 O ATOM 1619 CB SER B 129 -6.580 0.937 -4.138 1.00 0.00 C ATOM 1620 OG SER B 129 -7.044 1.402 -5.395 1.00 0.00 O ATOM 0 H SER B 129 -5.468 0.377 -2.060 1.00 0.00 H new ATOM 0 HA SER B 129 -4.435 1.273 -4.411 1.00 0.00 H new ATOM 0 HB2 SER B 129 -6.464 -0.146 -4.170 1.00 0.00 H new ATOM 0 HB3 SER B 129 -7.323 1.155 -3.371 1.00 0.00 H new ATOM 0 HG SER B 129 -7.936 1.036 -5.570 1.00 0.00 H new ATOM 1626 N THR B 130 -6.157 3.720 -2.995 1.00 0.00 N ATOM 1627 CA THR B 130 -6.357 5.159 -3.071 1.00 0.00 C ATOM 1628 C THR B 130 -5.188 5.897 -2.439 1.00 0.00 C ATOM 1629 O THR B 130 -4.648 6.841 -3.025 1.00 0.00 O ATOM 1630 CB THR B 130 -7.685 5.557 -2.422 1.00 0.00 C ATOM 1631 OG1 THR B 130 -8.326 6.553 -3.200 1.00 0.00 O ATOM 1632 CG2 THR B 130 -7.557 6.082 -1.007 1.00 0.00 C ATOM 0 H THR B 130 -6.623 3.262 -2.212 1.00 0.00 H new ATOM 0 HA THR B 130 -6.403 5.446 -4.122 1.00 0.00 H new ATOM 0 HB THR B 130 -8.267 4.637 -2.377 1.00 0.00 H new ATOM 0 HG1 THR B 130 -9.176 6.801 -2.779 1.00 0.00 H new ATOM 0 HG21 THR B 130 -8.544 6.340 -0.624 1.00 0.00 H new ATOM 0 HG22 THR B 130 -7.111 5.315 -0.373 1.00 0.00 H new ATOM 0 HG23 THR B 130 -6.923 6.969 -1.004 1.00 0.00 H new ATOM 1640 N THR B 131 -4.784 5.460 -1.248 1.00 0.00 N ATOM 1641 CA THR B 131 -3.670 6.091 -0.562 1.00 0.00 C ATOM 1642 C THR B 131 -2.423 6.080 -1.437 1.00 0.00 C ATOM 1643 O THR B 131 -1.766 7.109 -1.602 1.00 0.00 O ATOM 1644 CB THR B 131 -3.378 5.417 0.778 1.00 0.00 C ATOM 1645 OG1 THR B 131 -4.292 5.851 1.768 1.00 0.00 O ATOM 1646 CG2 THR B 131 -1.988 5.709 1.292 1.00 0.00 C ATOM 0 H THR B 131 -5.209 4.680 -0.746 1.00 0.00 H new ATOM 0 HA THR B 131 -3.954 7.124 -0.363 1.00 0.00 H new ATOM 0 HB THR B 131 -3.473 4.347 0.593 1.00 0.00 H new ATOM 0 HG1 THR B 131 -3.869 6.537 2.326 1.00 0.00 H new ATOM 0 HG21 THR B 131 -1.839 5.204 2.246 1.00 0.00 H new ATOM 0 HG22 THR B 131 -1.251 5.351 0.573 1.00 0.00 H new ATOM 0 HG23 THR B 131 -1.869 6.784 1.428 1.00 0.00 H new ATOM 1654 N MET B 132 -2.103 4.918 -2.011 1.00 0.00 N ATOM 1655 CA MET B 132 -0.940 4.797 -2.875 1.00 0.00 C ATOM 1656 C MET B 132 -0.955 5.871 -3.954 1.00 0.00 C ATOM 1657 O MET B 132 0.028 6.548 -4.153 1.00 0.00 O ATOM 1658 CB MET B 132 -0.885 3.410 -3.513 1.00 0.00 C ATOM 1659 CG MET B 132 -0.774 2.290 -2.499 1.00 0.00 C ATOM 1660 SD MET B 132 0.877 2.110 -1.841 1.00 0.00 S ATOM 1661 CE MET B 132 0.980 0.339 -1.750 1.00 0.00 C ATOM 0 H MET B 132 -2.633 4.055 -1.890 1.00 0.00 H new ATOM 0 HA MET B 132 -0.049 4.934 -2.262 1.00 0.00 H new ATOM 0 HB2 MET B 132 -1.781 3.259 -4.115 1.00 0.00 H new ATOM 0 HB3 MET B 132 -0.033 3.363 -4.191 1.00 0.00 H new ATOM 0 HG2 MET B 132 -1.468 2.478 -1.680 1.00 0.00 H new ATOM 0 HG3 MET B 132 -1.078 1.353 -2.965 1.00 0.00 H new ATOM 0 HE1 MET B 132 2.013 0.026 -1.902 1.00 0.00 H new ATOM 0 HE2 MET B 132 0.640 0.005 -0.770 1.00 0.00 H new ATOM 0 HE3 MET B 132 0.350 -0.102 -2.522 1.00 0.00 H new ATOM 1671 N GLN B 133 -2.083 6.038 -4.632 1.00 0.00 N ATOM 1672 CA GLN B 133 -2.207 7.053 -5.683 1.00 0.00 C ATOM 1673 C GLN B 133 -1.832 8.446 -5.167 1.00 0.00 C ATOM 1674 O GLN B 133 -1.227 9.240 -5.892 1.00 0.00 O ATOM 1675 CB GLN B 133 -3.634 7.041 -6.238 1.00 0.00 C ATOM 1676 CG GLN B 133 -3.989 8.238 -7.119 1.00 0.00 C ATOM 1677 CD GLN B 133 -5.485 8.514 -7.195 1.00 0.00 C ATOM 1678 OE1 GLN B 133 -5.906 9.660 -7.326 1.00 0.00 O ATOM 1679 NE2 GLN B 133 -6.302 7.469 -7.122 1.00 0.00 N ATOM 0 H GLN B 133 -2.927 5.487 -4.477 1.00 0.00 H new ATOM 0 HA GLN B 133 -1.509 6.811 -6.484 1.00 0.00 H new ATOM 0 HB2 GLN B 133 -3.776 6.128 -6.816 1.00 0.00 H new ATOM 0 HB3 GLN B 133 -4.333 7.002 -5.403 1.00 0.00 H new ATOM 0 HG2 GLN B 133 -3.483 9.124 -6.735 1.00 0.00 H new ATOM 0 HG3 GLN B 133 -3.608 8.064 -8.125 1.00 0.00 H new ATOM 0 HE21 GLN B 133 -5.920 6.530 -7.013 1.00 0.00 H new ATOM 0 HE22 GLN B 133 -7.311 7.606 -7.175 1.00 0.00 H new ATOM 1688 N ASN B 134 -2.177 8.732 -3.914 1.00 0.00 N ATOM 1689 CA ASN B 134 -1.856 10.023 -3.316 1.00 0.00 C ATOM 1690 C ASN B 134 -0.354 10.118 -3.036 1.00 0.00 C ATOM 1691 O ASN B 134 0.296 11.094 -3.431 1.00 0.00 O ATOM 1692 CB ASN B 134 -2.737 10.255 -2.058 1.00 0.00 C ATOM 1693 CG ASN B 134 -2.015 10.124 -0.725 1.00 0.00 C ATOM 1694 OD1 ASN B 134 -0.946 10.685 -0.515 1.00 0.00 O ATOM 1695 ND2 ASN B 134 -2.620 9.395 0.199 1.00 0.00 N ATOM 0 H ASN B 134 -2.676 8.091 -3.297 1.00 0.00 H new ATOM 0 HA ASN B 134 -2.088 10.828 -4.013 1.00 0.00 H new ATOM 0 HB2 ASN B 134 -3.174 11.252 -2.119 1.00 0.00 H new ATOM 0 HB3 ASN B 134 -3.563 9.544 -2.077 1.00 0.00 H new ATOM 0 HD21 ASN B 134 -2.197 9.286 1.121 1.00 0.00 H new ATOM 0 HD22 ASN B 134 -3.510 8.942 -0.010 1.00 0.00 H new ATOM 1702 N GLU B 135 0.198 9.082 -2.410 1.00 0.00 N ATOM 1703 CA GLU B 135 1.633 9.037 -2.130 1.00 0.00 C ATOM 1704 C GLU B 135 2.420 8.740 -3.416 1.00 0.00 C ATOM 1705 O GLU B 135 3.604 9.051 -3.518 1.00 0.00 O ATOM 1706 CB GLU B 135 1.935 7.980 -1.060 1.00 0.00 C ATOM 1707 CG GLU B 135 3.007 8.407 -0.066 1.00 0.00 C ATOM 1708 CD GLU B 135 3.276 7.359 0.995 1.00 0.00 C ATOM 1709 OE1 GLU B 135 2.492 7.278 1.962 1.00 0.00 O ATOM 1710 OE2 GLU B 135 4.275 6.623 0.861 1.00 0.00 O ATOM 0 H GLU B 135 -0.322 8.266 -2.088 1.00 0.00 H new ATOM 0 HA GLU B 135 1.944 10.011 -1.752 1.00 0.00 H new ATOM 0 HB2 GLU B 135 1.018 7.753 -0.517 1.00 0.00 H new ATOM 0 HB3 GLU B 135 2.252 7.059 -1.550 1.00 0.00 H new ATOM 0 HG2 GLU B 135 3.931 8.618 -0.604 1.00 0.00 H new ATOM 0 HG3 GLU B 135 2.700 9.335 0.416 1.00 0.00 H new ATOM 1717 N ALA B 136 1.737 8.148 -4.400 1.00 0.00 N ATOM 1718 CA ALA B 136 2.327 7.806 -5.693 1.00 0.00 C ATOM 1719 C ALA B 136 2.436 9.036 -6.577 1.00 0.00 C ATOM 1720 O ALA B 136 3.361 9.157 -7.375 1.00 0.00 O ATOM 1721 CB ALA B 136 1.484 6.747 -6.385 1.00 0.00 C ATOM 0 H ALA B 136 0.753 7.892 -4.319 1.00 0.00 H new ATOM 0 HA ALA B 136 3.329 7.413 -5.520 1.00 0.00 H new ATOM 0 HB1 ALA B 136 1.931 6.498 -7.348 1.00 0.00 H new ATOM 0 HB2 ALA B 136 1.441 5.853 -5.763 1.00 0.00 H new ATOM 0 HB3 ALA B 136 0.475 7.130 -6.541 1.00 0.00 H new ATOM 1727 N ARG B 137 1.482 9.950 -6.432 1.00 0.00 N ATOM 1728 CA ARG B 137 1.498 11.177 -7.213 1.00 0.00 C ATOM 1729 C ARG B 137 2.422 12.194 -6.588 1.00 0.00 C ATOM 1730 O ARG B 137 3.265 12.796 -7.255 1.00 0.00 O ATOM 1731 CB ARG B 137 0.122 11.806 -7.260 1.00 0.00 C ATOM 1732 CG ARG B 137 -0.651 11.498 -8.524 1.00 0.00 C ATOM 1733 CD ARG B 137 -2.103 11.182 -8.217 1.00 0.00 C ATOM 1734 NE ARG B 137 -2.876 10.890 -9.428 1.00 0.00 N ATOM 1735 CZ ARG B 137 -2.814 9.749 -10.106 1.00 0.00 C ATOM 1736 NH1 ARG B 137 -1.962 8.802 -9.760 1.00 0.00 N ATOM 1737 NH2 ARG B 137 -3.598 9.569 -11.150 1.00 0.00 N ATOM 0 H ARG B 137 0.696 9.864 -5.787 1.00 0.00 H new ATOM 0 HA ARG B 137 1.833 10.909 -8.215 1.00 0.00 H new ATOM 0 HB2 ARG B 137 -0.454 11.461 -6.401 1.00 0.00 H new ATOM 0 HB3 ARG B 137 0.224 12.887 -7.163 1.00 0.00 H new ATOM 0 HG2 ARG B 137 -0.597 12.349 -9.203 1.00 0.00 H new ATOM 0 HG3 ARG B 137 -0.193 10.652 -9.037 1.00 0.00 H new ATOM 0 HD2 ARG B 137 -2.152 10.327 -7.542 1.00 0.00 H new ATOM 0 HD3 ARG B 137 -2.554 12.026 -7.695 1.00 0.00 H new ATOM 0 HE ARG B 137 -3.506 11.614 -9.774 1.00 0.00 H new ATOM 0 HH11 ARG B 137 -1.341 8.941 -8.963 1.00 0.00 H new ATOM 0 HH12 ARG B 137 -1.925 7.931 -10.289 1.00 0.00 H new ATOM 0 HH21 ARG B 137 -4.247 10.303 -11.433 1.00 0.00 H new ATOM 0 HH22 ARG B 137 -3.556 8.696 -11.675 1.00 0.00 H new ATOM 1751 N ARG B 138 2.201 12.422 -5.304 1.00 0.00 N ATOM 1752 CA ARG B 138 2.955 13.422 -4.576 1.00 0.00 C ATOM 1753 C ARG B 138 4.409 13.013 -4.255 1.00 0.00 C ATOM 1754 O ARG B 138 5.233 13.890 -3.985 1.00 0.00 O ATOM 1755 CB ARG B 138 2.225 13.807 -3.285 1.00 0.00 C ATOM 1756 CG ARG B 138 1.761 15.260 -3.240 1.00 0.00 C ATOM 1757 CD ARG B 138 2.715 16.200 -3.961 1.00 0.00 C ATOM 1758 NE ARG B 138 2.546 17.585 -3.520 1.00 0.00 N ATOM 1759 CZ ARG B 138 3.159 18.626 -4.070 1.00 0.00 C ATOM 1760 NH1 ARG B 138 3.961 18.464 -5.103 1.00 0.00 N ATOM 1761 NH2 ARG B 138 2.953 19.835 -3.595 1.00 0.00 N ATOM 0 H ARG B 138 1.505 11.927 -4.747 1.00 0.00 H new ATOM 0 HA ARG B 138 3.022 14.281 -5.244 1.00 0.00 H new ATOM 0 HB2 ARG B 138 1.359 13.157 -3.162 1.00 0.00 H new ATOM 0 HB3 ARG B 138 2.885 13.622 -2.438 1.00 0.00 H new ATOM 0 HG2 ARG B 138 0.772 15.336 -3.691 1.00 0.00 H new ATOM 0 HG3 ARG B 138 1.663 15.574 -2.201 1.00 0.00 H new ATOM 0 HD2 ARG B 138 3.743 15.884 -3.782 1.00 0.00 H new ATOM 0 HD3 ARG B 138 2.545 16.137 -5.036 1.00 0.00 H new ATOM 0 HE ARG B 138 1.915 17.762 -2.738 1.00 0.00 H new ATOM 0 HH11 ARG B 138 4.116 17.532 -5.487 1.00 0.00 H new ATOM 0 HH12 ARG B 138 4.427 19.271 -5.518 1.00 0.00 H new ATOM 0 HH21 ARG B 138 2.323 19.972 -2.805 1.00 0.00 H new ATOM 0 HH22 ARG B 138 3.424 20.636 -4.017 1.00 0.00 H new