USER MOD reduce.3.24.130724 H: found=0, std=0, add=897, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 894 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -162:sc= -0.0333 (180deg=-0.427) USER MOD Single : A 7 SER OG : rot 180:sc= -0.0388 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.441 USER MOD Single : A 19 ASN : amide:sc= -1.21 K(o=-1.2,f=-2.6!) USER MOD Single : A 21 THR OG1 : rot -80:sc= 1.23 USER MOD Single : A 22 GLN : amide:sc= -0.481 X(o=-0.48,f=-0.17) USER MOD Single : A 23 ASN :FLIP amide:sc= -0.778 F(o=-6.3!,f=-0.78) USER MOD Single : A 24 GLN : amide:sc= -6.84! C(o=-6.8!,f=-16!) USER MOD Single : A 25 LYS NZ :NH3+ 159:sc= -0.0993 (180deg=-0.615) USER MOD Single : A 30 ASN : amide:sc= -0.868 K(o=-0.87,f=-1.4!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl -126:sc=-0.00173 (180deg=-0.219) USER MOD Single : A 36 SER OG : rot 180:sc= -0.101 USER MOD Single : A 38 ASN :FLIP amide:sc= -0.0124 F(o=-0.69,f=-0.012) USER MOD Single : A 40 THR OG1 : rot 122:sc= 0.52 USER MOD Single : A 43 MET CE :methyl -159:sc= -0.256 (180deg=-1.81!) USER MOD Single : A 44 TYR OH : rot 150:sc= -2.16 USER MOD Single : A 50 SER OG : rot -33:sc= 0.583 USER MOD Single : A 53 ASN : amide:sc= 0.221 X(o=0.22,f=-0.16) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 77:sc= 0.759 USER MOD Single : A 62 LYS NZ :NH3+ -159:sc= -0.0937 (180deg=-0.597) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -2.4 K(o=-2.4,f=-8.8!) USER MOD Single : A 66 MET CE :methyl -170:sc= -0.649 (180deg=-0.95) USER MOD Single : A 68 SER OG : rot 76:sc= 0.123 USER MOD Single : A 73 HIS : no HE2:sc= -5.87! C(o=-5.9!,f=-6.9!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= -0.0494 USER MOD Single : A 79 GLN : amide:sc= -0.122 K(o=-0.12,f=-0.97) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot -44:sc= 0.0883 USER MOD Single : A 84 HIS : no HD1:sc= -4.54! C(o=-4.5!,f=-5.3!) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 97 LYS NZ :NH3+ -132:sc= -0.0528 (180deg=-0.504) USER MOD Single : A 102 HIS : no HD1:sc= -1.89 X(o=-1.9,f=-1.4) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 165:sc=-0.00559 (180deg=-0.191) USER MOD Single : A 113 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 24.624 5.884 12.938 1.00 0.00 N ATOM 2 CA MET A 1 24.017 5.497 11.633 1.00 0.00 C ATOM 3 C MET A 1 22.669 6.205 11.467 1.00 0.00 C ATOM 4 O MET A 1 21.750 5.996 12.234 1.00 0.00 O ATOM 5 CB MET A 1 23.800 3.983 11.602 1.00 0.00 C ATOM 6 CG MET A 1 25.151 3.265 11.627 1.00 0.00 C ATOM 7 SD MET A 1 24.878 1.475 11.590 1.00 0.00 S ATOM 8 CE MET A 1 26.615 0.971 11.668 1.00 0.00 C ATOM 0 H1 MET A 1 25.641 5.665 12.927 1.00 0.00 H new ATOM 0 H2 MET A 1 24.491 6.904 13.094 1.00 0.00 H new ATOM 0 H3 MET A 1 24.164 5.354 13.706 1.00 0.00 H new ATOM 0 HA MET A 1 24.685 5.788 10.822 1.00 0.00 H new ATOM 0 HB2 MET A 1 23.198 3.675 12.457 1.00 0.00 H new ATOM 0 HB3 MET A 1 23.246 3.704 10.706 1.00 0.00 H new ATOM 0 HG2 MET A 1 25.754 3.570 10.772 1.00 0.00 H new ATOM 0 HG3 MET A 1 25.706 3.541 12.523 1.00 0.00 H new ATOM 0 HE1 MET A 1 26.679 -0.117 11.657 1.00 0.00 H new ATOM 0 HE2 MET A 1 27.150 1.375 10.809 1.00 0.00 H new ATOM 0 HE3 MET A 1 27.063 1.351 12.586 1.00 0.00 H new ATOM 20 N GLY A 2 22.542 7.038 10.469 1.00 0.00 N ATOM 21 CA GLY A 2 21.252 7.755 10.251 1.00 0.00 C ATOM 22 C GLY A 2 20.193 6.764 9.753 1.00 0.00 C ATOM 23 O GLY A 2 20.506 5.640 9.416 1.00 0.00 O ATOM 0 H GLY A 2 23.276 7.253 9.795 1.00 0.00 H new ATOM 0 HA2 GLY A 2 20.921 8.221 11.179 1.00 0.00 H new ATOM 0 HA3 GLY A 2 21.387 8.555 9.523 1.00 0.00 H new ATOM 27 N PRO A 3 18.946 7.173 9.708 1.00 0.00 N ATOM 28 CA PRO A 3 17.857 6.274 9.239 1.00 0.00 C ATOM 29 C PRO A 3 18.240 5.549 7.941 1.00 0.00 C ATOM 30 O PRO A 3 19.270 5.818 7.355 1.00 0.00 O ATOM 31 CB PRO A 3 16.682 7.253 9.031 1.00 0.00 C ATOM 32 CG PRO A 3 17.089 8.635 9.594 1.00 0.00 C ATOM 33 CD PRO A 3 18.540 8.548 10.108 1.00 0.00 C ATOM 0 HA PRO A 3 17.626 5.470 9.937 1.00 0.00 H new ATOM 0 HB2 PRO A 3 16.438 7.332 7.972 1.00 0.00 H new ATOM 0 HB3 PRO A 3 15.789 6.886 9.537 1.00 0.00 H new ATOM 0 HG2 PRO A 3 17.007 9.398 8.820 1.00 0.00 H new ATOM 0 HG3 PRO A 3 16.418 8.927 10.402 1.00 0.00 H new ATOM 0 HD2 PRO A 3 19.177 9.307 9.653 1.00 0.00 H new ATOM 0 HD3 PRO A 3 18.597 8.689 11.187 1.00 0.00 H new ATOM 41 N VAL A 4 17.428 4.630 7.491 1.00 0.00 N ATOM 42 CA VAL A 4 17.763 3.896 6.240 1.00 0.00 C ATOM 43 C VAL A 4 17.396 4.769 5.021 1.00 0.00 C ATOM 44 O VAL A 4 16.417 5.488 5.061 1.00 0.00 O ATOM 45 CB VAL A 4 16.962 2.594 6.192 1.00 0.00 C ATOM 46 CG1 VAL A 4 17.491 1.630 7.255 1.00 0.00 C ATOM 47 CG2 VAL A 4 15.483 2.886 6.462 1.00 0.00 C ATOM 0 H VAL A 4 16.551 4.358 7.935 1.00 0.00 H new ATOM 0 HA VAL A 4 18.830 3.672 6.219 1.00 0.00 H new ATOM 0 HB VAL A 4 17.067 2.144 5.205 1.00 0.00 H new ATOM 0 HG11 VAL A 4 16.920 0.702 7.221 1.00 0.00 H new ATOM 0 HG12 VAL A 4 18.542 1.417 7.062 1.00 0.00 H new ATOM 0 HG13 VAL A 4 17.388 2.083 8.241 1.00 0.00 H new ATOM 0 HG21 VAL A 4 14.916 1.956 6.427 1.00 0.00 H new ATOM 0 HG22 VAL A 4 15.376 3.339 7.447 1.00 0.00 H new ATOM 0 HG23 VAL A 4 15.103 3.571 5.704 1.00 0.00 H new ATOM 57 N PRO A 5 18.156 4.721 3.941 1.00 0.00 N ATOM 58 CA PRO A 5 17.826 5.549 2.743 1.00 0.00 C ATOM 59 C PRO A 5 16.468 5.159 2.119 1.00 0.00 C ATOM 60 O PRO A 5 15.914 4.124 2.433 1.00 0.00 O ATOM 61 CB PRO A 5 18.994 5.236 1.784 1.00 0.00 C ATOM 62 CG PRO A 5 19.783 4.046 2.359 1.00 0.00 C ATOM 63 CD PRO A 5 19.377 3.868 3.831 1.00 0.00 C ATOM 0 HA PRO A 5 17.723 6.609 2.977 1.00 0.00 H new ATOM 0 HB2 PRO A 5 18.616 4.997 0.790 1.00 0.00 H new ATOM 0 HB3 PRO A 5 19.642 6.106 1.678 1.00 0.00 H new ATOM 0 HG2 PRO A 5 19.569 3.139 1.793 1.00 0.00 H new ATOM 0 HG3 PRO A 5 20.855 4.226 2.279 1.00 0.00 H new ATOM 0 HD2 PRO A 5 19.165 2.826 4.069 1.00 0.00 H new ATOM 0 HD3 PRO A 5 20.163 4.197 4.510 1.00 0.00 H new ATOM 71 N PRO A 6 15.938 5.982 1.237 1.00 0.00 N ATOM 72 CA PRO A 6 14.630 5.679 0.580 1.00 0.00 C ATOM 73 C PRO A 6 14.670 4.373 -0.230 1.00 0.00 C ATOM 74 O PRO A 6 13.733 3.599 -0.225 1.00 0.00 O ATOM 75 CB PRO A 6 14.426 6.901 -0.340 1.00 0.00 C ATOM 76 CG PRO A 6 15.717 7.743 -0.327 1.00 0.00 C ATOM 77 CD PRO A 6 16.597 7.259 0.836 1.00 0.00 C ATOM 0 HA PRO A 6 13.823 5.527 1.297 1.00 0.00 H new ATOM 0 HB2 PRO A 6 14.195 6.577 -1.355 1.00 0.00 H new ATOM 0 HB3 PRO A 6 13.581 7.498 0.004 1.00 0.00 H new ATOM 0 HG2 PRO A 6 16.248 7.639 -1.273 1.00 0.00 H new ATOM 0 HG3 PRO A 6 15.480 8.800 -0.209 1.00 0.00 H new ATOM 0 HD2 PRO A 6 17.629 7.101 0.524 1.00 0.00 H new ATOM 0 HD3 PRO A 6 16.618 7.978 1.655 1.00 0.00 H new ATOM 85 N SER A 7 15.743 4.131 -0.926 1.00 0.00 N ATOM 86 CA SER A 7 15.839 2.884 -1.735 1.00 0.00 C ATOM 87 C SER A 7 15.783 1.675 -0.803 1.00 0.00 C ATOM 88 O SER A 7 15.168 0.672 -1.105 1.00 0.00 O ATOM 89 CB SER A 7 17.158 2.872 -2.508 1.00 0.00 C ATOM 90 OG SER A 7 18.240 2.871 -1.587 1.00 0.00 O ATOM 0 H SER A 7 16.559 4.742 -0.971 1.00 0.00 H new ATOM 0 HA SER A 7 15.009 2.843 -2.441 1.00 0.00 H new ATOM 0 HB2 SER A 7 17.210 1.992 -3.149 1.00 0.00 H new ATOM 0 HB3 SER A 7 17.220 3.744 -3.159 1.00 0.00 H new ATOM 0 HG SER A 7 19.088 2.862 -2.078 1.00 0.00 H new ATOM 96 N THR A 8 16.419 1.766 0.331 1.00 0.00 N ATOM 97 CA THR A 8 16.400 0.621 1.285 1.00 0.00 C ATOM 98 C THR A 8 14.989 0.446 1.839 1.00 0.00 C ATOM 99 O THR A 8 14.494 -0.656 1.969 1.00 0.00 O ATOM 100 CB THR A 8 17.362 0.900 2.442 1.00 0.00 C ATOM 101 OG1 THR A 8 18.693 0.967 1.947 1.00 0.00 O ATOM 102 CG2 THR A 8 17.249 -0.216 3.483 1.00 0.00 C ATOM 0 H THR A 8 16.950 2.581 0.639 1.00 0.00 H new ATOM 0 HA THR A 8 16.708 -0.286 0.765 1.00 0.00 H new ATOM 0 HB THR A 8 17.105 1.851 2.908 1.00 0.00 H new ATOM 0 HG1 THR A 8 19.309 1.147 2.688 1.00 0.00 H new ATOM 0 HG21 THR A 8 17.935 -0.016 4.306 1.00 0.00 H new ATOM 0 HG22 THR A 8 16.228 -0.257 3.863 1.00 0.00 H new ATOM 0 HG23 THR A 8 17.504 -1.170 3.022 1.00 0.00 H new ATOM 110 N ALA A 9 14.334 1.525 2.162 1.00 0.00 N ATOM 111 CA ALA A 9 12.955 1.420 2.702 1.00 0.00 C ATOM 112 C ALA A 9 12.070 0.736 1.661 1.00 0.00 C ATOM 113 O ALA A 9 11.345 -0.193 1.959 1.00 0.00 O ATOM 114 CB ALA A 9 12.421 2.823 3.001 1.00 0.00 C ATOM 0 H ALA A 9 14.696 2.475 2.075 1.00 0.00 H new ATOM 0 HA ALA A 9 12.954 0.836 3.622 1.00 0.00 H new ATOM 0 HB1 ALA A 9 11.408 2.750 3.398 1.00 0.00 H new ATOM 0 HB2 ALA A 9 13.064 3.308 3.735 1.00 0.00 H new ATOM 0 HB3 ALA A 9 12.410 3.411 2.083 1.00 0.00 H new ATOM 120 N LEU A 10 12.135 1.182 0.436 1.00 0.00 N ATOM 121 CA LEU A 10 11.310 0.553 -0.632 1.00 0.00 C ATOM 122 C LEU A 10 11.693 -0.923 -0.771 1.00 0.00 C ATOM 123 O LEU A 10 10.844 -1.790 -0.828 1.00 0.00 O ATOM 124 CB LEU A 10 11.561 1.280 -1.960 1.00 0.00 C ATOM 125 CG LEU A 10 10.731 0.643 -3.089 1.00 0.00 C ATOM 126 CD1 LEU A 10 9.231 0.771 -2.783 1.00 0.00 C ATOM 127 CD2 LEU A 10 11.055 1.349 -4.414 1.00 0.00 C ATOM 0 H LEU A 10 12.725 1.956 0.129 1.00 0.00 H new ATOM 0 HA LEU A 10 10.254 0.627 -0.371 1.00 0.00 H new ATOM 0 HB2 LEU A 10 11.301 2.334 -1.859 1.00 0.00 H new ATOM 0 HB3 LEU A 10 12.621 1.236 -2.211 1.00 0.00 H new ATOM 0 HG LEU A 10 10.981 -0.415 -3.166 1.00 0.00 H new ATOM 0 HD11 LEU A 10 8.655 0.317 -3.589 1.00 0.00 H new ATOM 0 HD12 LEU A 10 9.006 0.263 -1.845 1.00 0.00 H new ATOM 0 HD13 LEU A 10 8.966 1.825 -2.697 1.00 0.00 H new ATOM 0 HD21 LEU A 10 10.470 0.902 -5.217 1.00 0.00 H new ATOM 0 HD22 LEU A 10 10.809 2.408 -4.332 1.00 0.00 H new ATOM 0 HD23 LEU A 10 12.117 1.239 -4.634 1.00 0.00 H new ATOM 139 N ARG A 11 12.964 -1.215 -0.838 1.00 0.00 N ATOM 140 CA ARG A 11 13.388 -2.636 -0.986 1.00 0.00 C ATOM 141 C ARG A 11 12.878 -3.443 0.211 1.00 0.00 C ATOM 142 O ARG A 11 12.376 -4.539 0.060 1.00 0.00 O ATOM 143 CB ARG A 11 14.920 -2.710 -1.050 1.00 0.00 C ATOM 144 CG ARG A 11 15.432 -2.118 -2.377 1.00 0.00 C ATOM 145 CD ARG A 11 15.299 -3.141 -3.518 1.00 0.00 C ATOM 146 NE ARG A 11 15.942 -4.427 -3.124 1.00 0.00 N ATOM 147 CZ ARG A 11 15.671 -5.521 -3.782 1.00 0.00 C ATOM 148 NH1 ARG A 11 14.842 -5.488 -4.788 1.00 0.00 N ATOM 149 NH2 ARG A 11 16.229 -6.649 -3.434 1.00 0.00 N ATOM 0 H ARG A 11 13.723 -0.535 -0.797 1.00 0.00 H new ATOM 0 HA ARG A 11 12.972 -3.050 -1.904 1.00 0.00 H new ATOM 0 HB2 ARG A 11 15.352 -2.165 -0.211 1.00 0.00 H new ATOM 0 HB3 ARG A 11 15.244 -3.747 -0.958 1.00 0.00 H new ATOM 0 HG2 ARG A 11 14.867 -1.218 -2.621 1.00 0.00 H new ATOM 0 HG3 ARG A 11 16.475 -1.820 -2.269 1.00 0.00 H new ATOM 0 HD2 ARG A 11 14.247 -3.306 -3.749 1.00 0.00 H new ATOM 0 HD3 ARG A 11 15.767 -2.753 -4.423 1.00 0.00 H new ATOM 0 HE ARG A 11 16.594 -4.452 -2.340 1.00 0.00 H new ATOM 0 HH11 ARG A 11 14.406 -4.607 -5.060 1.00 0.00 H new ATOM 0 HH12 ARG A 11 14.630 -6.343 -5.302 1.00 0.00 H new ATOM 0 HH21 ARG A 11 16.877 -6.676 -2.647 1.00 0.00 H new ATOM 0 HH22 ARG A 11 16.016 -7.503 -3.949 1.00 0.00 H new ATOM 163 N GLU A 12 12.987 -2.908 1.397 1.00 0.00 N ATOM 164 CA GLU A 12 12.489 -3.646 2.594 1.00 0.00 C ATOM 165 C GLU A 12 10.972 -3.810 2.496 1.00 0.00 C ATOM 166 O GLU A 12 10.424 -4.841 2.832 1.00 0.00 O ATOM 167 CB GLU A 12 12.837 -2.870 3.869 1.00 0.00 C ATOM 168 CG GLU A 12 14.343 -2.946 4.126 1.00 0.00 C ATOM 169 CD GLU A 12 14.726 -4.381 4.499 1.00 0.00 C ATOM 170 OE1 GLU A 12 13.874 -5.084 5.018 1.00 0.00 O ATOM 171 OE2 GLU A 12 15.862 -4.752 4.257 1.00 0.00 O ATOM 0 H GLU A 12 13.398 -1.994 1.589 1.00 0.00 H new ATOM 0 HA GLU A 12 12.962 -4.627 2.632 1.00 0.00 H new ATOM 0 HB2 GLU A 12 12.528 -1.830 3.768 1.00 0.00 H new ATOM 0 HB3 GLU A 12 12.292 -3.284 4.718 1.00 0.00 H new ATOM 0 HG2 GLU A 12 14.891 -2.631 3.238 1.00 0.00 H new ATOM 0 HG3 GLU A 12 14.620 -2.264 4.930 1.00 0.00 H new ATOM 178 N LEU A 13 10.292 -2.795 2.041 1.00 0.00 N ATOM 179 CA LEU A 13 8.809 -2.875 1.923 1.00 0.00 C ATOM 180 C LEU A 13 8.437 -3.939 0.884 1.00 0.00 C ATOM 181 O LEU A 13 7.613 -4.797 1.128 1.00 0.00 O ATOM 182 CB LEU A 13 8.287 -1.498 1.482 1.00 0.00 C ATOM 183 CG LEU A 13 6.764 -1.515 1.291 1.00 0.00 C ATOM 184 CD1 LEU A 13 6.066 -1.830 2.619 1.00 0.00 C ATOM 185 CD2 LEU A 13 6.315 -0.135 0.794 1.00 0.00 C ATOM 0 H LEU A 13 10.701 -1.909 1.744 1.00 0.00 H new ATOM 0 HA LEU A 13 8.363 -3.151 2.879 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.554 -0.749 2.228 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.770 -1.205 0.550 1.00 0.00 H new ATOM 0 HG LEU A 13 6.498 -2.283 0.565 1.00 0.00 H new ATOM 0 HD11 LEU A 13 4.986 -1.839 2.469 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.391 -2.807 2.978 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.324 -1.069 3.355 1.00 0.00 H new ATOM 0 HD21 LEU A 13 5.234 -0.133 0.654 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.587 0.623 1.529 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.804 0.087 -0.154 1.00 0.00 H new ATOM 197 N ILE A 14 9.040 -3.892 -0.271 1.00 0.00 N ATOM 198 CA ILE A 14 8.724 -4.901 -1.324 1.00 0.00 C ATOM 199 C ILE A 14 9.044 -6.317 -0.824 1.00 0.00 C ATOM 200 O ILE A 14 8.240 -7.220 -0.937 1.00 0.00 O ATOM 201 CB ILE A 14 9.551 -4.590 -2.578 1.00 0.00 C ATOM 202 CG1 ILE A 14 9.022 -3.305 -3.217 1.00 0.00 C ATOM 203 CG2 ILE A 14 9.441 -5.741 -3.585 1.00 0.00 C ATOM 204 CD1 ILE A 14 9.999 -2.823 -4.290 1.00 0.00 C ATOM 0 H ILE A 14 9.740 -3.198 -0.533 1.00 0.00 H new ATOM 0 HA ILE A 14 7.661 -4.853 -1.561 1.00 0.00 H new ATOM 0 HB ILE A 14 10.597 -4.466 -2.297 1.00 0.00 H new ATOM 0 HG12 ILE A 14 8.041 -3.484 -3.658 1.00 0.00 H new ATOM 0 HG13 ILE A 14 8.894 -2.535 -2.456 1.00 0.00 H new ATOM 0 HG21 ILE A 14 10.032 -5.508 -4.470 1.00 0.00 H new ATOM 0 HG22 ILE A 14 9.814 -6.659 -3.131 1.00 0.00 H new ATOM 0 HG23 ILE A 14 8.398 -5.876 -3.871 1.00 0.00 H new ATOM 0 HD11 ILE A 14 9.619 -1.907 -4.743 1.00 0.00 H new ATOM 0 HD12 ILE A 14 10.970 -2.627 -3.836 1.00 0.00 H new ATOM 0 HD13 ILE A 14 10.105 -3.590 -5.057 1.00 0.00 H new ATOM 216 N GLU A 15 10.218 -6.524 -0.293 1.00 0.00 N ATOM 217 CA GLU A 15 10.587 -7.888 0.184 1.00 0.00 C ATOM 218 C GLU A 15 9.624 -8.353 1.281 1.00 0.00 C ATOM 219 O GLU A 15 9.238 -9.505 1.330 1.00 0.00 O ATOM 220 CB GLU A 15 12.016 -7.865 0.734 1.00 0.00 C ATOM 221 CG GLU A 15 13.000 -7.668 -0.422 1.00 0.00 C ATOM 222 CD GLU A 15 14.433 -7.644 0.115 1.00 0.00 C ATOM 223 OE1 GLU A 15 14.592 -7.588 1.324 1.00 0.00 O ATOM 224 OE2 GLU A 15 15.347 -7.677 -0.692 1.00 0.00 O ATOM 0 H GLU A 15 10.936 -5.810 -0.169 1.00 0.00 H new ATOM 0 HA GLU A 15 10.524 -8.582 -0.654 1.00 0.00 H new ATOM 0 HB2 GLU A 15 12.125 -7.060 1.461 1.00 0.00 H new ATOM 0 HB3 GLU A 15 12.232 -8.797 1.256 1.00 0.00 H new ATOM 0 HG2 GLU A 15 12.888 -8.473 -1.148 1.00 0.00 H new ATOM 0 HG3 GLU A 15 12.781 -6.736 -0.943 1.00 0.00 H new ATOM 231 N GLU A 16 9.241 -7.478 2.170 1.00 0.00 N ATOM 232 CA GLU A 16 8.316 -7.891 3.267 1.00 0.00 C ATOM 233 C GLU A 16 6.908 -8.150 2.712 1.00 0.00 C ATOM 234 O GLU A 16 6.274 -9.127 3.055 1.00 0.00 O ATOM 235 CB GLU A 16 8.261 -6.785 4.321 1.00 0.00 C ATOM 236 CG GLU A 16 7.417 -7.244 5.512 1.00 0.00 C ATOM 237 CD GLU A 16 7.378 -6.134 6.563 1.00 0.00 C ATOM 238 OE1 GLU A 16 8.130 -5.183 6.420 1.00 0.00 O ATOM 239 OE2 GLU A 16 6.600 -6.253 7.496 1.00 0.00 O ATOM 0 H GLU A 16 9.526 -6.499 2.186 1.00 0.00 H new ATOM 0 HA GLU A 16 8.686 -8.812 3.718 1.00 0.00 H new ATOM 0 HB2 GLU A 16 9.269 -6.536 4.653 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.835 -5.880 3.889 1.00 0.00 H new ATOM 0 HG2 GLU A 16 6.406 -7.485 5.184 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.838 -8.153 5.942 1.00 0.00 H new ATOM 246 N LEU A 17 6.412 -7.289 1.859 1.00 0.00 N ATOM 247 CA LEU A 17 5.042 -7.506 1.295 1.00 0.00 C ATOM 248 C LEU A 17 4.995 -8.834 0.541 1.00 0.00 C ATOM 249 O LEU A 17 4.045 -9.586 0.639 1.00 0.00 O ATOM 250 CB LEU A 17 4.691 -6.375 0.324 1.00 0.00 C ATOM 251 CG LEU A 17 4.476 -5.063 1.088 1.00 0.00 C ATOM 252 CD1 LEU A 17 4.331 -3.920 0.077 1.00 0.00 C ATOM 253 CD2 LEU A 17 3.206 -5.152 1.966 1.00 0.00 C ATOM 0 H LEU A 17 6.891 -6.451 1.530 1.00 0.00 H new ATOM 0 HA LEU A 17 4.326 -7.522 2.116 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.492 -6.252 -0.405 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.789 -6.631 -0.232 1.00 0.00 H new ATOM 0 HG LEU A 17 5.331 -4.878 1.738 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.177 -2.981 0.609 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.236 -3.851 -0.527 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.476 -4.114 -0.571 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.068 -4.213 2.502 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.339 -5.340 1.333 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.316 -5.966 2.683 1.00 0.00 H new ATOM 265 N VAL A 18 6.011 -9.120 -0.218 1.00 0.00 N ATOM 266 CA VAL A 18 6.040 -10.390 -0.992 1.00 0.00 C ATOM 267 C VAL A 18 6.066 -11.575 -0.023 1.00 0.00 C ATOM 268 O VAL A 18 5.444 -12.592 -0.247 1.00 0.00 O ATOM 269 CB VAL A 18 7.300 -10.409 -1.865 1.00 0.00 C ATOM 270 CG1 VAL A 18 7.473 -11.787 -2.507 1.00 0.00 C ATOM 271 CG2 VAL A 18 7.175 -9.347 -2.959 1.00 0.00 C ATOM 0 H VAL A 18 6.830 -8.524 -0.337 1.00 0.00 H new ATOM 0 HA VAL A 18 5.154 -10.463 -1.623 1.00 0.00 H new ATOM 0 HB VAL A 18 8.170 -10.196 -1.243 1.00 0.00 H new ATOM 0 HG11 VAL A 18 8.371 -11.790 -3.125 1.00 0.00 H new ATOM 0 HG12 VAL A 18 7.567 -12.543 -1.727 1.00 0.00 H new ATOM 0 HG13 VAL A 18 6.605 -12.011 -3.127 1.00 0.00 H new ATOM 0 HG21 VAL A 18 8.070 -9.359 -3.581 1.00 0.00 H new ATOM 0 HG22 VAL A 18 6.302 -9.561 -3.575 1.00 0.00 H new ATOM 0 HG23 VAL A 18 7.064 -8.364 -2.501 1.00 0.00 H new ATOM 281 N ASN A 19 6.809 -11.453 1.036 1.00 0.00 N ATOM 282 CA ASN A 19 6.923 -12.568 2.018 1.00 0.00 C ATOM 283 C ASN A 19 5.553 -12.933 2.609 1.00 0.00 C ATOM 284 O ASN A 19 5.222 -14.093 2.753 1.00 0.00 O ATOM 285 CB ASN A 19 7.843 -12.113 3.152 1.00 0.00 C ATOM 286 CG ASN A 19 9.277 -12.000 2.634 1.00 0.00 C ATOM 287 OD1 ASN A 19 9.625 -12.600 1.637 1.00 0.00 O ATOM 288 ND2 ASN A 19 10.127 -11.240 3.270 1.00 0.00 N ATOM 0 H ASN A 19 7.350 -10.620 1.268 1.00 0.00 H new ATOM 0 HA ASN A 19 7.322 -13.446 1.510 1.00 0.00 H new ATOM 0 HB2 ASN A 19 7.509 -11.151 3.541 1.00 0.00 H new ATOM 0 HB3 ASN A 19 7.799 -12.824 3.977 1.00 0.00 H new ATOM 0 HD21 ASN A 19 11.084 -11.150 2.930 1.00 0.00 H new ATOM 0 HD22 ASN A 19 9.834 -10.737 4.107 1.00 0.00 H new ATOM 295 N ILE A 20 4.770 -11.958 2.983 1.00 0.00 N ATOM 296 CA ILE A 20 3.440 -12.258 3.598 1.00 0.00 C ATOM 297 C ILE A 20 2.386 -12.617 2.538 1.00 0.00 C ATOM 298 O ILE A 20 1.393 -13.243 2.848 1.00 0.00 O ATOM 299 CB ILE A 20 2.972 -11.040 4.404 1.00 0.00 C ATOM 300 CG1 ILE A 20 2.955 -9.803 3.504 1.00 0.00 C ATOM 301 CG2 ILE A 20 3.927 -10.801 5.577 1.00 0.00 C ATOM 302 CD1 ILE A 20 2.270 -8.645 4.232 1.00 0.00 C ATOM 0 H ILE A 20 4.991 -10.967 2.891 1.00 0.00 H new ATOM 0 HA ILE A 20 3.555 -13.123 4.251 1.00 0.00 H new ATOM 0 HB ILE A 20 1.968 -11.227 4.785 1.00 0.00 H new ATOM 0 HG12 ILE A 20 3.973 -9.524 3.234 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.428 -10.024 2.576 1.00 0.00 H new ATOM 0 HG21 ILE A 20 3.592 -9.935 6.148 1.00 0.00 H new ATOM 0 HG22 ILE A 20 3.938 -11.679 6.222 1.00 0.00 H new ATOM 0 HG23 ILE A 20 4.932 -10.618 5.197 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.260 -7.766 3.588 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.246 -8.926 4.479 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.815 -8.418 5.148 1.00 0.00 H new ATOM 314 N THR A 21 2.568 -12.216 1.301 1.00 0.00 N ATOM 315 CA THR A 21 1.537 -12.531 0.251 1.00 0.00 C ATOM 316 C THR A 21 1.939 -13.764 -0.569 1.00 0.00 C ATOM 317 O THR A 21 1.195 -14.211 -1.419 1.00 0.00 O ATOM 318 CB THR A 21 1.389 -11.333 -0.701 1.00 0.00 C ATOM 319 OG1 THR A 21 2.660 -11.011 -1.248 1.00 0.00 O ATOM 320 CG2 THR A 21 0.831 -10.112 0.048 1.00 0.00 C ATOM 0 H THR A 21 3.377 -11.689 0.972 1.00 0.00 H new ATOM 0 HA THR A 21 0.593 -12.736 0.757 1.00 0.00 H new ATOM 0 HB THR A 21 0.695 -11.600 -1.498 1.00 0.00 H new ATOM 0 HG1 THR A 21 3.172 -10.485 -0.599 1.00 0.00 H new ATOM 0 HG21 THR A 21 0.734 -9.275 -0.643 1.00 0.00 H new ATOM 0 HG22 THR A 21 -0.147 -10.356 0.463 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.510 -9.839 0.856 1.00 0.00 H new ATOM 328 N GLN A 22 3.099 -14.321 -0.340 1.00 0.00 N ATOM 329 CA GLN A 22 3.512 -15.529 -1.127 1.00 0.00 C ATOM 330 C GLN A 22 2.968 -16.809 -0.478 1.00 0.00 C ATOM 331 O GLN A 22 2.316 -17.611 -1.115 1.00 0.00 O ATOM 332 CB GLN A 22 5.046 -15.600 -1.200 1.00 0.00 C ATOM 333 CG GLN A 22 5.552 -14.657 -2.298 1.00 0.00 C ATOM 334 CD GLN A 22 5.306 -15.292 -3.669 1.00 0.00 C ATOM 335 OE1 GLN A 22 4.754 -14.665 -4.551 1.00 0.00 O ATOM 336 NE2 GLN A 22 5.698 -16.518 -3.887 1.00 0.00 N ATOM 0 H GLN A 22 3.776 -13.998 0.351 1.00 0.00 H new ATOM 0 HA GLN A 22 3.101 -15.446 -2.133 1.00 0.00 H new ATOM 0 HB2 GLN A 22 5.479 -15.322 -0.239 1.00 0.00 H new ATOM 0 HB3 GLN A 22 5.363 -16.622 -1.409 1.00 0.00 H new ATOM 0 HG2 GLN A 22 5.040 -13.697 -2.233 1.00 0.00 H new ATOM 0 HG3 GLN A 22 6.615 -14.460 -2.162 1.00 0.00 H new ATOM 0 HE21 GLN A 22 6.162 -17.045 -3.147 1.00 0.00 H new ATOM 0 HE22 GLN A 22 5.541 -16.949 -4.798 1.00 0.00 H new ATOM 345 N ASN A 23 3.261 -17.017 0.778 1.00 0.00 N ATOM 346 CA ASN A 23 2.800 -18.261 1.476 1.00 0.00 C ATOM 347 C ASN A 23 1.524 -17.996 2.283 1.00 0.00 C ATOM 348 O ASN A 23 1.312 -18.586 3.324 1.00 0.00 O ATOM 349 CB ASN A 23 3.903 -18.729 2.427 1.00 0.00 C ATOM 350 CG ASN A 23 4.070 -17.706 3.554 1.00 0.00 C ATOM 351 OD1 ASN A 23 3.476 -16.547 3.456 1.00 0.00 O flip ATOM 352 ND2 ASN A 23 4.742 -17.964 4.532 1.00 0.00 N flip ATOM 0 H ASN A 23 3.803 -16.376 1.357 1.00 0.00 H new ATOM 0 HA ASN A 23 2.585 -19.024 0.728 1.00 0.00 H new ATOM 0 HB2 ASN A 23 3.651 -19.705 2.841 1.00 0.00 H new ATOM 0 HB3 ASN A 23 4.841 -18.845 1.884 1.00 0.00 H new ATOM 0 HD21 ASN A 23 5.206 -18.869 4.608 1.00 0.00 H new ATOM 0 HD22 ASN A 23 4.843 -17.275 5.278 1.00 0.00 H new ATOM 359 N GLN A 24 0.676 -17.116 1.832 1.00 0.00 N ATOM 360 CA GLN A 24 -0.569 -16.831 2.603 1.00 0.00 C ATOM 361 C GLN A 24 -1.628 -17.899 2.315 1.00 0.00 C ATOM 362 O GLN A 24 -1.938 -18.193 1.178 1.00 0.00 O ATOM 363 CB GLN A 24 -1.109 -15.444 2.211 1.00 0.00 C ATOM 364 CG GLN A 24 -1.799 -15.489 0.837 1.00 0.00 C ATOM 365 CD GLN A 24 -0.904 -16.206 -0.179 1.00 0.00 C ATOM 366 OE1 GLN A 24 0.287 -15.979 -0.222 1.00 0.00 O ATOM 367 NE2 GLN A 24 -1.431 -17.065 -1.008 1.00 0.00 N ATOM 0 H GLN A 24 0.788 -16.584 0.969 1.00 0.00 H new ATOM 0 HA GLN A 24 -0.338 -16.845 3.668 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -1.816 -15.098 2.966 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -0.291 -14.725 2.187 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -2.756 -16.005 0.919 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -2.012 -14.476 0.495 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -2.432 -17.258 -0.974 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -0.842 -17.543 -1.690 1.00 0.00 H new ATOM 376 N LYS A 25 -2.202 -18.467 3.340 1.00 0.00 N ATOM 377 CA LYS A 25 -3.262 -19.491 3.127 1.00 0.00 C ATOM 378 C LYS A 25 -4.592 -18.756 2.941 1.00 0.00 C ATOM 379 O LYS A 25 -5.102 -18.639 1.845 1.00 0.00 O ATOM 380 CB LYS A 25 -3.337 -20.419 4.343 1.00 0.00 C ATOM 381 CG LYS A 25 -4.405 -21.492 4.108 1.00 0.00 C ATOM 382 CD LYS A 25 -4.476 -22.418 5.324 1.00 0.00 C ATOM 383 CE LYS A 25 -5.542 -23.490 5.089 1.00 0.00 C ATOM 384 NZ LYS A 25 -5.177 -24.305 3.896 1.00 0.00 N ATOM 0 H LYS A 25 -1.982 -18.266 4.316 1.00 0.00 H new ATOM 0 HA LYS A 25 -3.040 -20.096 2.248 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -2.368 -20.888 4.515 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -3.576 -19.844 5.237 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -5.374 -21.024 3.937 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -4.167 -22.067 3.213 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -3.506 -22.886 5.495 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -4.715 -21.843 6.219 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -5.628 -24.130 5.967 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -6.515 -23.023 4.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -5.671 -25.219 3.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -5.455 -23.799 3.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -4.150 -24.467 3.887 1.00 0.00 H new ATOM 398 N ALA A 26 -5.143 -18.240 4.007 1.00 0.00 N ATOM 399 CA ALA A 26 -6.426 -17.488 3.901 1.00 0.00 C ATOM 400 C ALA A 26 -6.113 -16.058 3.415 1.00 0.00 C ATOM 401 O ALA A 26 -4.983 -15.616 3.487 1.00 0.00 O ATOM 402 CB ALA A 26 -7.108 -17.460 5.289 1.00 0.00 C ATOM 0 H ALA A 26 -4.758 -18.307 4.949 1.00 0.00 H new ATOM 0 HA ALA A 26 -7.102 -17.966 3.192 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -8.048 -16.912 5.222 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -7.306 -18.480 5.618 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.452 -16.968 6.007 1.00 0.00 H new ATOM 408 N PRO A 27 -7.096 -15.338 2.927 1.00 0.00 N ATOM 409 CA PRO A 27 -6.861 -13.946 2.441 1.00 0.00 C ATOM 410 C PRO A 27 -6.226 -13.053 3.521 1.00 0.00 C ATOM 411 O PRO A 27 -6.147 -13.418 4.677 1.00 0.00 O ATOM 412 CB PRO A 27 -8.286 -13.471 2.075 1.00 0.00 C ATOM 413 CG PRO A 27 -9.286 -14.583 2.456 1.00 0.00 C ATOM 414 CD PRO A 27 -8.491 -15.848 2.822 1.00 0.00 C ATOM 0 HA PRO A 27 -6.159 -13.899 1.608 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -8.525 -12.549 2.604 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -8.350 -13.253 1.009 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -9.903 -14.266 3.297 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -9.961 -14.787 1.625 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -8.834 -16.285 3.760 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -8.584 -16.620 2.058 1.00 0.00 H new ATOM 422 N LEU A 28 -5.776 -11.886 3.146 1.00 0.00 N ATOM 423 CA LEU A 28 -5.149 -10.967 4.139 1.00 0.00 C ATOM 424 C LEU A 28 -6.216 -10.472 5.114 1.00 0.00 C ATOM 425 O LEU A 28 -5.919 -10.039 6.210 1.00 0.00 O ATOM 426 CB LEU A 28 -4.528 -9.771 3.412 1.00 0.00 C ATOM 427 CG LEU A 28 -3.384 -10.245 2.502 1.00 0.00 C ATOM 428 CD1 LEU A 28 -2.891 -9.065 1.658 1.00 0.00 C ATOM 429 CD2 LEU A 28 -2.219 -10.798 3.349 1.00 0.00 C ATOM 0 H LEU A 28 -5.816 -11.528 2.192 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.372 -11.500 4.687 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -5.287 -9.261 2.819 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.152 -9.050 4.137 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.750 -11.039 1.851 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.079 -9.395 1.010 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.711 -8.686 1.048 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.532 -8.273 2.315 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.416 -11.130 2.691 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.846 -10.016 4.010 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.570 -11.640 3.946 1.00 0.00 H new ATOM 441 N CYS A 29 -7.461 -10.531 4.724 1.00 0.00 N ATOM 442 CA CYS A 29 -8.556 -10.064 5.625 1.00 0.00 C ATOM 443 C CYS A 29 -9.794 -10.932 5.405 1.00 0.00 C ATOM 444 O CYS A 29 -9.853 -11.719 4.482 1.00 0.00 O ATOM 445 CB CYS A 29 -8.892 -8.607 5.302 1.00 0.00 C ATOM 446 SG CYS A 29 -7.614 -7.529 5.988 1.00 0.00 S ATOM 0 H CYS A 29 -7.768 -10.883 3.818 1.00 0.00 H new ATOM 0 HA CYS A 29 -8.235 -10.142 6.664 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -8.959 -8.469 4.223 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -9.865 -8.346 5.718 1.00 0.00 H new ATOM 451 N ASN A 30 -10.779 -10.798 6.251 1.00 0.00 N ATOM 452 CA ASN A 30 -12.015 -11.616 6.095 1.00 0.00 C ATOM 453 C ASN A 30 -12.744 -11.211 4.812 1.00 0.00 C ATOM 454 O ASN A 30 -13.914 -10.888 4.828 1.00 0.00 O ATOM 455 CB ASN A 30 -12.932 -11.379 7.297 1.00 0.00 C ATOM 456 CG ASN A 30 -14.204 -12.215 7.145 1.00 0.00 C ATOM 457 OD1 ASN A 30 -15.252 -11.692 6.822 1.00 0.00 O ATOM 458 ND2 ASN A 30 -14.157 -13.500 7.366 1.00 0.00 N ATOM 0 H ASN A 30 -10.781 -10.157 7.044 1.00 0.00 H new ATOM 0 HA ASN A 30 -11.747 -12.671 6.039 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -12.416 -11.647 8.219 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -13.186 -10.322 7.370 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -15.000 -14.066 7.268 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -13.277 -13.939 7.637 1.00 0.00 H new ATOM 465 N GLY A 31 -12.064 -11.233 3.699 1.00 0.00 N ATOM 466 CA GLY A 31 -12.721 -10.859 2.415 1.00 0.00 C ATOM 467 C GLY A 31 -12.933 -9.343 2.357 1.00 0.00 C ATOM 468 O GLY A 31 -13.665 -8.846 1.525 1.00 0.00 O ATOM 0 H GLY A 31 -11.081 -11.494 3.623 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -12.106 -11.181 1.575 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -13.678 -11.372 2.324 1.00 0.00 H new ATOM 472 N SER A 32 -12.301 -8.600 3.227 1.00 0.00 N ATOM 473 CA SER A 32 -12.480 -7.120 3.201 1.00 0.00 C ATOM 474 C SER A 32 -12.008 -6.577 1.854 1.00 0.00 C ATOM 475 O SER A 32 -11.018 -7.023 1.307 1.00 0.00 O ATOM 476 CB SER A 32 -11.667 -6.475 4.321 1.00 0.00 C ATOM 477 OG SER A 32 -12.175 -6.907 5.576 1.00 0.00 O ATOM 0 H SER A 32 -11.673 -8.952 3.950 1.00 0.00 H new ATOM 0 HA SER A 32 -13.535 -6.885 3.345 1.00 0.00 H new ATOM 0 HB2 SER A 32 -10.616 -6.748 4.227 1.00 0.00 H new ATOM 0 HB3 SER A 32 -11.722 -5.389 4.247 1.00 0.00 H new ATOM 0 HG SER A 32 -11.655 -6.497 6.298 1.00 0.00 H new ATOM 483 N MET A 33 -12.717 -5.616 1.317 1.00 0.00 N ATOM 484 CA MET A 33 -12.335 -5.020 -0.001 1.00 0.00 C ATOM 485 C MET A 33 -12.028 -3.532 0.194 1.00 0.00 C ATOM 486 O MET A 33 -12.432 -2.930 1.170 1.00 0.00 O ATOM 487 CB MET A 33 -13.496 -5.191 -0.988 1.00 0.00 C ATOM 488 CG MET A 33 -13.903 -6.679 -1.070 1.00 0.00 C ATOM 489 SD MET A 33 -14.470 -7.071 -2.746 1.00 0.00 S ATOM 490 CE MET A 33 -16.021 -6.147 -2.702 1.00 0.00 C ATOM 0 H MET A 33 -13.554 -5.214 1.740 1.00 0.00 H new ATOM 0 HA MET A 33 -11.452 -5.522 -0.397 1.00 0.00 H new ATOM 0 HB2 MET A 33 -14.347 -4.589 -0.669 1.00 0.00 H new ATOM 0 HB3 MET A 33 -13.202 -4.831 -1.974 1.00 0.00 H new ATOM 0 HG2 MET A 33 -13.056 -7.312 -0.806 1.00 0.00 H new ATOM 0 HG3 MET A 33 -14.694 -6.889 -0.350 1.00 0.00 H new ATOM 0 HE1 MET A 33 -16.846 -6.808 -2.969 1.00 0.00 H new ATOM 0 HE2 MET A 33 -16.181 -5.753 -1.698 1.00 0.00 H new ATOM 0 HE3 MET A 33 -15.973 -5.322 -3.412 1.00 0.00 H new ATOM 500 N VAL A 34 -11.306 -2.939 -0.725 1.00 0.00 N ATOM 501 CA VAL A 34 -10.946 -1.487 -0.610 1.00 0.00 C ATOM 502 C VAL A 34 -11.297 -0.775 -1.920 1.00 0.00 C ATOM 503 O VAL A 34 -11.457 -1.396 -2.952 1.00 0.00 O ATOM 504 CB VAL A 34 -9.437 -1.358 -0.356 1.00 0.00 C ATOM 505 CG1 VAL A 34 -9.132 -1.616 1.122 1.00 0.00 C ATOM 506 CG2 VAL A 34 -8.687 -2.382 -1.217 1.00 0.00 C ATOM 0 H VAL A 34 -10.946 -3.402 -1.559 1.00 0.00 H new ATOM 0 HA VAL A 34 -11.498 -1.036 0.215 1.00 0.00 H new ATOM 0 HB VAL A 34 -9.115 -0.350 -0.617 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -8.060 -1.523 1.294 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -9.663 -0.888 1.735 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -9.456 -2.621 1.390 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -7.615 -2.292 -1.038 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -9.016 -3.388 -0.955 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -8.896 -2.195 -2.270 1.00 0.00 H new ATOM 516 N TRP A 35 -11.419 0.527 -1.885 1.00 0.00 N ATOM 517 CA TRP A 35 -11.759 1.278 -3.128 1.00 0.00 C ATOM 518 C TRP A 35 -10.548 1.272 -4.065 1.00 0.00 C ATOM 519 O TRP A 35 -9.423 1.444 -3.638 1.00 0.00 O ATOM 520 CB TRP A 35 -12.100 2.728 -2.772 1.00 0.00 C ATOM 521 CG TRP A 35 -13.362 2.785 -1.969 1.00 0.00 C ATOM 522 CD1 TRP A 35 -13.426 2.733 -0.619 1.00 0.00 C ATOM 523 CD2 TRP A 35 -14.735 2.917 -2.439 1.00 0.00 C ATOM 524 NE1 TRP A 35 -14.750 2.825 -0.230 1.00 0.00 N ATOM 525 CE2 TRP A 35 -15.596 2.940 -1.317 1.00 0.00 C ATOM 526 CE3 TRP A 35 -15.310 3.018 -3.717 1.00 0.00 C ATOM 527 CZ2 TRP A 35 -16.980 3.060 -1.458 1.00 0.00 C ATOM 528 CZ3 TRP A 35 -16.704 3.139 -3.863 1.00 0.00 C ATOM 529 CH2 TRP A 35 -17.535 3.160 -2.736 1.00 0.00 C ATOM 0 H TRP A 35 -11.298 1.101 -1.050 1.00 0.00 H new ATOM 0 HA TRP A 35 -12.613 0.807 -3.615 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -11.281 3.173 -2.206 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -12.214 3.316 -3.683 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -12.581 2.636 0.047 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -15.064 2.810 0.740 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -14.678 3.003 -4.593 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -17.617 3.075 -0.586 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -17.136 3.216 -4.850 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -18.604 3.253 -2.855 1.00 0.00 H new ATOM 540 N SER A 36 -10.762 1.082 -5.339 1.00 0.00 N ATOM 541 CA SER A 36 -9.613 1.075 -6.291 1.00 0.00 C ATOM 542 C SER A 36 -9.047 2.494 -6.417 1.00 0.00 C ATOM 543 O SER A 36 -9.750 3.468 -6.234 1.00 0.00 O ATOM 544 CB SER A 36 -10.083 0.586 -7.662 1.00 0.00 C ATOM 545 OG SER A 36 -10.932 1.565 -8.245 1.00 0.00 O ATOM 0 H SER A 36 -11.678 0.932 -5.761 1.00 0.00 H new ATOM 0 HA SER A 36 -8.837 0.406 -5.918 1.00 0.00 H new ATOM 0 HB2 SER A 36 -9.225 0.401 -8.308 1.00 0.00 H new ATOM 0 HB3 SER A 36 -10.616 -0.360 -7.560 1.00 0.00 H new ATOM 0 HG SER A 36 -11.233 1.255 -9.124 1.00 0.00 H new ATOM 551 N ILE A 37 -7.779 2.617 -6.732 1.00 0.00 N ATOM 552 CA ILE A 37 -7.147 3.972 -6.877 1.00 0.00 C ATOM 553 C ILE A 37 -6.378 4.044 -8.195 1.00 0.00 C ATOM 554 O ILE A 37 -6.040 3.037 -8.783 1.00 0.00 O ATOM 555 CB ILE A 37 -6.170 4.214 -5.720 1.00 0.00 C ATOM 556 CG1 ILE A 37 -5.176 3.047 -5.620 1.00 0.00 C ATOM 557 CG2 ILE A 37 -6.950 4.336 -4.411 1.00 0.00 C ATOM 558 CD1 ILE A 37 -3.977 3.467 -4.764 1.00 0.00 C ATOM 0 H ILE A 37 -7.149 1.832 -6.896 1.00 0.00 H new ATOM 0 HA ILE A 37 -7.930 4.730 -6.864 1.00 0.00 H new ATOM 0 HB ILE A 37 -5.619 5.136 -5.904 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -5.664 2.177 -5.180 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -4.841 2.755 -6.615 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -6.256 4.508 -3.588 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -7.646 5.172 -4.479 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -7.505 3.415 -4.231 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -3.272 2.638 -4.694 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.485 4.324 -5.223 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -4.320 3.738 -3.765 1.00 0.00 H new ATOM 570 N ASN A 38 -6.074 5.229 -8.650 1.00 0.00 N ATOM 571 CA ASN A 38 -5.298 5.365 -9.916 1.00 0.00 C ATOM 572 C ASN A 38 -3.813 5.400 -9.560 1.00 0.00 C ATOM 573 O ASN A 38 -3.369 6.248 -8.813 1.00 0.00 O ATOM 574 CB ASN A 38 -5.680 6.671 -10.616 1.00 0.00 C ATOM 575 CG ASN A 38 -7.132 6.597 -11.088 1.00 0.00 C ATOM 576 OD1 ASN A 38 -7.578 5.493 -11.623 1.00 0.00 O flip ATOM 577 ND2 ASN A 38 -7.870 7.555 -10.970 1.00 0.00 N flip ATOM 0 H ASN A 38 -6.329 6.108 -8.200 1.00 0.00 H new ATOM 0 HA ASN A 38 -5.513 4.529 -10.581 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -5.552 7.511 -9.934 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -5.020 6.846 -11.465 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -7.522 8.418 -10.552 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -8.837 7.496 -11.289 1.00 0.00 H new ATOM 584 N LEU A 39 -3.038 4.483 -10.070 1.00 0.00 N ATOM 585 CA LEU A 39 -1.587 4.478 -9.730 1.00 0.00 C ATOM 586 C LEU A 39 -0.865 5.520 -10.591 1.00 0.00 C ATOM 587 O LEU A 39 -0.822 5.412 -11.801 1.00 0.00 O ATOM 588 CB LEU A 39 -0.990 3.090 -10.007 1.00 0.00 C ATOM 589 CG LEU A 39 -1.536 2.039 -9.017 1.00 0.00 C ATOM 590 CD1 LEU A 39 -1.143 2.396 -7.572 1.00 0.00 C ATOM 591 CD2 LEU A 39 -3.067 1.946 -9.133 1.00 0.00 C ATOM 0 H LEU A 39 -3.343 3.743 -10.702 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.463 4.718 -8.674 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.224 2.788 -11.028 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.096 3.137 -9.929 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.098 1.073 -9.268 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.538 1.642 -6.891 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.057 2.428 -7.488 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.556 3.371 -7.313 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -3.441 1.202 -8.430 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.509 2.916 -8.904 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.338 1.655 -10.148 1.00 0.00 H new ATOM 603 N THR A 40 -0.297 6.531 -9.980 1.00 0.00 N ATOM 604 CA THR A 40 0.419 7.580 -10.772 1.00 0.00 C ATOM 605 C THR A 40 1.620 8.107 -9.980 1.00 0.00 C ATOM 606 O THR A 40 2.744 7.704 -10.207 1.00 0.00 O ATOM 607 CB THR A 40 -0.539 8.739 -11.062 1.00 0.00 C ATOM 608 OG1 THR A 40 -1.045 9.249 -9.836 1.00 0.00 O ATOM 609 CG2 THR A 40 -1.698 8.241 -11.927 1.00 0.00 C ATOM 0 H THR A 40 -0.298 6.675 -8.970 1.00 0.00 H new ATOM 0 HA THR A 40 0.769 7.143 -11.708 1.00 0.00 H new ATOM 0 HB THR A 40 -0.006 9.528 -11.593 1.00 0.00 H new ATOM 0 HG1 THR A 40 -0.825 10.201 -9.762 1.00 0.00 H new ATOM 0 HG21 THR A 40 -2.379 9.067 -12.133 1.00 0.00 H new ATOM 0 HG22 THR A 40 -1.309 7.849 -12.867 1.00 0.00 H new ATOM 0 HG23 THR A 40 -2.233 7.452 -11.399 1.00 0.00 H new ATOM 617 N ALA A 41 1.391 9.014 -9.057 1.00 0.00 N ATOM 618 CA ALA A 41 2.517 9.589 -8.247 1.00 0.00 C ATOM 619 C ALA A 41 2.263 9.351 -6.757 1.00 0.00 C ATOM 620 O ALA A 41 2.877 8.502 -6.142 1.00 0.00 O ATOM 621 CB ALA A 41 2.601 11.095 -8.504 1.00 0.00 C ATOM 0 H ALA A 41 0.468 9.383 -8.829 1.00 0.00 H new ATOM 0 HA ALA A 41 3.450 9.106 -8.536 1.00 0.00 H new ATOM 0 HB1 ALA A 41 3.417 11.519 -7.919 1.00 0.00 H new ATOM 0 HB2 ALA A 41 2.784 11.274 -9.564 1.00 0.00 H new ATOM 0 HB3 ALA A 41 1.662 11.567 -8.213 1.00 0.00 H new ATOM 627 N GLY A 42 1.369 10.101 -6.171 1.00 0.00 N ATOM 628 CA GLY A 42 1.078 9.927 -4.718 1.00 0.00 C ATOM 629 C GLY A 42 0.417 8.569 -4.487 1.00 0.00 C ATOM 630 O GLY A 42 -0.570 8.457 -3.787 1.00 0.00 O ATOM 0 H GLY A 42 0.826 10.828 -6.637 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.000 9.997 -4.141 1.00 0.00 H new ATOM 0 HA3 GLY A 42 0.423 10.726 -4.370 1.00 0.00 H new ATOM 634 N MET A 43 0.948 7.537 -5.077 1.00 0.00 N ATOM 635 CA MET A 43 0.350 6.186 -4.902 1.00 0.00 C ATOM 636 C MET A 43 0.369 5.808 -3.418 1.00 0.00 C ATOM 637 O MET A 43 -0.562 5.221 -2.905 1.00 0.00 O ATOM 638 CB MET A 43 1.176 5.170 -5.689 1.00 0.00 C ATOM 639 CG MET A 43 1.234 5.592 -7.158 1.00 0.00 C ATOM 640 SD MET A 43 2.015 4.287 -8.142 1.00 0.00 S ATOM 641 CE MET A 43 3.608 4.272 -7.288 1.00 0.00 C ATOM 0 H MET A 43 1.773 7.571 -5.675 1.00 0.00 H new ATOM 0 HA MET A 43 -0.678 6.190 -5.264 1.00 0.00 H new ATOM 0 HB2 MET A 43 2.183 5.107 -5.277 1.00 0.00 H new ATOM 0 HB3 MET A 43 0.733 4.178 -5.601 1.00 0.00 H new ATOM 0 HG2 MET A 43 0.228 5.787 -7.530 1.00 0.00 H new ATOM 0 HG3 MET A 43 1.796 6.520 -7.257 1.00 0.00 H new ATOM 0 HE1 MET A 43 4.364 3.827 -7.935 1.00 0.00 H new ATOM 0 HE2 MET A 43 3.898 5.293 -7.041 1.00 0.00 H new ATOM 0 HE3 MET A 43 3.524 3.687 -6.372 1.00 0.00 H new ATOM 651 N TYR A 44 1.433 6.127 -2.730 1.00 0.00 N ATOM 652 CA TYR A 44 1.522 5.772 -1.284 1.00 0.00 C ATOM 653 C TYR A 44 0.412 6.475 -0.495 1.00 0.00 C ATOM 654 O TYR A 44 -0.257 5.870 0.319 1.00 0.00 O ATOM 655 CB TYR A 44 2.887 6.200 -0.736 1.00 0.00 C ATOM 656 CG TYR A 44 3.964 5.316 -1.322 1.00 0.00 C ATOM 657 CD1 TYR A 44 4.326 4.129 -0.674 1.00 0.00 C ATOM 658 CD2 TYR A 44 4.602 5.686 -2.512 1.00 0.00 C ATOM 659 CE1 TYR A 44 5.324 3.311 -1.217 1.00 0.00 C ATOM 660 CE2 TYR A 44 5.600 4.868 -3.055 1.00 0.00 C ATOM 661 CZ TYR A 44 5.961 3.680 -2.408 1.00 0.00 C ATOM 662 OH TYR A 44 6.944 2.872 -2.943 1.00 0.00 O ATOM 0 H TYR A 44 2.244 6.618 -3.107 1.00 0.00 H new ATOM 0 HA TYR A 44 1.404 4.694 -1.177 1.00 0.00 H new ATOM 0 HB2 TYR A 44 3.081 7.243 -0.987 1.00 0.00 H new ATOM 0 HB3 TYR A 44 2.893 6.127 0.352 1.00 0.00 H new ATOM 0 HD1 TYR A 44 3.835 3.844 0.245 1.00 0.00 H new ATOM 0 HD2 TYR A 44 4.324 6.603 -3.011 1.00 0.00 H new ATOM 0 HE1 TYR A 44 5.603 2.395 -0.717 1.00 0.00 H new ATOM 0 HE2 TYR A 44 6.092 5.153 -3.973 1.00 0.00 H new ATOM 0 HH TYR A 44 6.948 2.964 -3.919 1.00 0.00 H new ATOM 672 N CYS A 45 0.212 7.746 -0.717 1.00 0.00 N ATOM 673 CA CYS A 45 -0.851 8.468 0.037 1.00 0.00 C ATOM 674 C CYS A 45 -2.229 7.955 -0.391 1.00 0.00 C ATOM 675 O CYS A 45 -3.061 7.642 0.435 1.00 0.00 O ATOM 676 CB CYS A 45 -0.737 9.970 -0.222 1.00 0.00 C ATOM 677 SG CYS A 45 0.773 10.589 0.567 1.00 0.00 S ATOM 0 H CYS A 45 0.736 8.313 -1.384 1.00 0.00 H new ATOM 0 HA CYS A 45 -0.726 8.286 1.104 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -0.710 10.167 -1.294 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -1.610 10.488 0.175 1.00 0.00 H new ATOM 682 N ALA A 46 -2.480 7.853 -1.669 1.00 0.00 N ATOM 683 CA ALA A 46 -3.807 7.345 -2.121 1.00 0.00 C ATOM 684 C ALA A 46 -4.001 5.929 -1.579 1.00 0.00 C ATOM 685 O ALA A 46 -5.067 5.558 -1.125 1.00 0.00 O ATOM 686 CB ALA A 46 -3.855 7.312 -3.649 1.00 0.00 C ATOM 0 H ALA A 46 -1.828 8.098 -2.415 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.596 8.000 -1.753 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -4.827 6.940 -3.975 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -3.702 8.318 -4.040 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.071 6.654 -4.024 1.00 0.00 H new ATOM 692 N ALA A 47 -2.972 5.134 -1.622 1.00 0.00 N ATOM 693 CA ALA A 47 -3.083 3.745 -1.108 1.00 0.00 C ATOM 694 C ALA A 47 -3.355 3.776 0.399 1.00 0.00 C ATOM 695 O ALA A 47 -4.124 2.992 0.917 1.00 0.00 O ATOM 696 CB ALA A 47 -1.772 3.000 -1.381 1.00 0.00 C ATOM 0 H ALA A 47 -2.056 5.388 -1.992 1.00 0.00 H new ATOM 0 HA ALA A 47 -3.904 3.233 -1.610 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -1.848 1.980 -1.005 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.582 2.978 -2.454 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.951 3.511 -0.878 1.00 0.00 H new ATOM 702 N LEU A 48 -2.711 4.666 1.107 1.00 0.00 N ATOM 703 CA LEU A 48 -2.912 4.740 2.583 1.00 0.00 C ATOM 704 C LEU A 48 -4.382 5.028 2.921 1.00 0.00 C ATOM 705 O LEU A 48 -4.981 4.342 3.723 1.00 0.00 O ATOM 706 CB LEU A 48 -2.020 5.858 3.146 1.00 0.00 C ATOM 707 CG LEU A 48 -2.187 5.979 4.670 1.00 0.00 C ATOM 708 CD1 LEU A 48 -1.754 4.678 5.358 1.00 0.00 C ATOM 709 CD2 LEU A 48 -1.317 7.135 5.174 1.00 0.00 C ATOM 0 H LEU A 48 -2.053 5.346 0.725 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.644 3.782 3.029 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.977 5.652 2.906 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.275 6.806 2.672 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.235 6.167 4.903 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -1.878 4.778 6.436 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.369 3.854 4.997 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.707 4.477 5.130 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -1.428 7.230 6.254 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.273 6.937 4.932 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.630 8.062 4.694 1.00 0.00 H new ATOM 721 N GLU A 49 -4.970 6.032 2.326 1.00 0.00 N ATOM 722 CA GLU A 49 -6.398 6.351 2.643 1.00 0.00 C ATOM 723 C GLU A 49 -7.295 5.161 2.309 1.00 0.00 C ATOM 724 O GLU A 49 -8.271 4.905 2.985 1.00 0.00 O ATOM 725 CB GLU A 49 -6.855 7.583 1.850 1.00 0.00 C ATOM 726 CG GLU A 49 -6.451 7.434 0.387 1.00 0.00 C ATOM 727 CD GLU A 49 -6.879 8.678 -0.394 1.00 0.00 C ATOM 728 OE1 GLU A 49 -8.047 8.770 -0.735 1.00 0.00 O ATOM 729 OE2 GLU A 49 -6.029 9.518 -0.641 1.00 0.00 O ATOM 0 H GLU A 49 -4.529 6.643 1.638 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.475 6.564 3.709 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -7.936 7.697 1.929 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -6.408 8.484 2.270 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -5.372 7.297 0.309 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -6.917 6.546 -0.041 1.00 0.00 H new ATOM 736 N SER A 50 -6.987 4.431 1.275 1.00 0.00 N ATOM 737 CA SER A 50 -7.846 3.266 0.925 1.00 0.00 C ATOM 738 C SER A 50 -7.750 2.212 2.032 1.00 0.00 C ATOM 739 O SER A 50 -8.732 1.605 2.411 1.00 0.00 O ATOM 740 CB SER A 50 -7.369 2.664 -0.396 1.00 0.00 C ATOM 741 OG SER A 50 -6.045 2.175 -0.236 1.00 0.00 O ATOM 0 H SER A 50 -6.187 4.587 0.662 1.00 0.00 H new ATOM 0 HA SER A 50 -8.881 3.592 0.823 1.00 0.00 H new ATOM 0 HB2 SER A 50 -8.033 1.856 -0.702 1.00 0.00 H new ATOM 0 HB3 SER A 50 -7.399 3.417 -1.184 1.00 0.00 H new ATOM 0 HG SER A 50 -5.563 2.738 0.405 1.00 0.00 H new ATOM 747 N LEU A 51 -6.575 1.996 2.557 1.00 0.00 N ATOM 748 CA LEU A 51 -6.412 0.987 3.645 1.00 0.00 C ATOM 749 C LEU A 51 -7.074 1.497 4.929 1.00 0.00 C ATOM 750 O LEU A 51 -7.657 0.741 5.679 1.00 0.00 O ATOM 751 CB LEU A 51 -4.924 0.744 3.908 1.00 0.00 C ATOM 752 CG LEU A 51 -4.266 0.084 2.685 1.00 0.00 C ATOM 753 CD1 LEU A 51 -2.751 0.019 2.906 1.00 0.00 C ATOM 754 CD2 LEU A 51 -4.820 -1.341 2.477 1.00 0.00 C ATOM 0 H LEU A 51 -5.718 2.475 2.280 1.00 0.00 H new ATOM 0 HA LEU A 51 -6.885 0.055 3.337 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -4.428 1.689 4.130 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.802 0.106 4.783 1.00 0.00 H new ATOM 0 HG LEU A 51 -4.488 0.676 1.797 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.277 -0.448 2.043 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.358 1.028 3.034 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.538 -0.569 3.799 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.343 -1.793 1.607 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -4.611 -1.945 3.360 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -5.897 -1.293 2.316 1.00 0.00 H new ATOM 766 N ILE A 52 -6.977 2.773 5.194 1.00 0.00 N ATOM 767 CA ILE A 52 -7.590 3.326 6.437 1.00 0.00 C ATOM 768 C ILE A 52 -9.056 2.883 6.523 1.00 0.00 C ATOM 769 O ILE A 52 -9.679 2.980 7.561 1.00 0.00 O ATOM 770 CB ILE A 52 -7.485 4.866 6.418 1.00 0.00 C ATOM 771 CG1 ILE A 52 -6.028 5.304 6.690 1.00 0.00 C ATOM 772 CG2 ILE A 52 -8.414 5.487 7.465 1.00 0.00 C ATOM 773 CD1 ILE A 52 -5.538 4.830 8.072 1.00 0.00 C ATOM 0 H ILE A 52 -6.500 3.455 4.604 1.00 0.00 H new ATOM 0 HA ILE A 52 -7.061 2.951 7.313 1.00 0.00 H new ATOM 0 HB ILE A 52 -7.788 5.215 5.431 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -5.376 4.901 5.915 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -5.958 6.390 6.632 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -8.323 6.573 7.434 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -9.444 5.203 7.252 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -8.136 5.128 8.456 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.510 5.158 8.225 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -6.174 5.255 8.849 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -5.583 3.742 8.121 1.00 0.00 H new ATOM 785 N ASN A 53 -9.611 2.383 5.448 1.00 0.00 N ATOM 786 CA ASN A 53 -11.031 1.920 5.489 1.00 0.00 C ATOM 787 C ASN A 53 -11.074 0.463 5.958 1.00 0.00 C ATOM 788 O ASN A 53 -12.118 -0.062 6.291 1.00 0.00 O ATOM 789 CB ASN A 53 -11.653 2.024 4.093 1.00 0.00 C ATOM 790 CG ASN A 53 -11.968 3.488 3.781 1.00 0.00 C ATOM 791 OD1 ASN A 53 -11.600 3.994 2.740 1.00 0.00 O ATOM 792 ND2 ASN A 53 -12.643 4.194 4.648 1.00 0.00 N ATOM 0 H ASN A 53 -9.144 2.276 4.547 1.00 0.00 H new ATOM 0 HA ASN A 53 -11.595 2.547 6.180 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -10.967 1.622 3.347 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -12.564 1.427 4.044 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -12.861 5.171 4.451 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -12.952 3.769 5.522 1.00 0.00 H new ATOM 799 N VAL A 54 -9.944 -0.196 5.990 1.00 0.00 N ATOM 800 CA VAL A 54 -9.917 -1.620 6.438 1.00 0.00 C ATOM 801 C VAL A 54 -9.727 -1.675 7.956 1.00 0.00 C ATOM 802 O VAL A 54 -8.809 -1.091 8.495 1.00 0.00 O ATOM 803 CB VAL A 54 -8.754 -2.353 5.766 1.00 0.00 C ATOM 804 CG1 VAL A 54 -8.765 -3.822 6.194 1.00 0.00 C ATOM 805 CG2 VAL A 54 -8.900 -2.267 4.245 1.00 0.00 C ATOM 0 H VAL A 54 -9.038 0.191 5.725 1.00 0.00 H new ATOM 0 HA VAL A 54 -10.858 -2.097 6.164 1.00 0.00 H new ATOM 0 HB VAL A 54 -7.814 -1.890 6.066 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -7.937 -4.346 5.716 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -8.659 -3.886 7.277 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -9.707 -4.281 5.894 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -8.070 -2.790 3.770 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -9.840 -2.728 3.943 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -8.894 -1.221 3.937 1.00 0.00 H new ATOM 815 N SER A 55 -10.589 -2.381 8.645 1.00 0.00 N ATOM 816 CA SER A 55 -10.476 -2.497 10.134 1.00 0.00 C ATOM 817 C SER A 55 -10.520 -3.976 10.518 1.00 0.00 C ATOM 818 O SER A 55 -11.153 -4.777 9.860 1.00 0.00 O ATOM 819 CB SER A 55 -11.644 -1.762 10.794 1.00 0.00 C ATOM 820 OG SER A 55 -11.558 -0.376 10.490 1.00 0.00 O ATOM 0 H SER A 55 -11.374 -2.887 8.236 1.00 0.00 H new ATOM 0 HA SER A 55 -9.538 -2.054 10.471 1.00 0.00 H new ATOM 0 HB2 SER A 55 -12.591 -2.166 10.437 1.00 0.00 H new ATOM 0 HB3 SER A 55 -11.620 -1.912 11.873 1.00 0.00 H new ATOM 0 HG SER A 55 -12.306 0.098 10.910 1.00 0.00 H new ATOM 826 N GLY A 56 -9.850 -4.350 11.575 1.00 0.00 N ATOM 827 CA GLY A 56 -9.854 -5.782 11.993 1.00 0.00 C ATOM 828 C GLY A 56 -8.793 -6.553 11.203 1.00 0.00 C ATOM 829 O GLY A 56 -8.971 -7.710 10.878 1.00 0.00 O ATOM 0 H GLY A 56 -9.301 -3.727 12.167 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -9.653 -5.860 13.062 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -10.838 -6.218 11.821 1.00 0.00 H new ATOM 833 N CYS A 57 -7.690 -5.922 10.885 1.00 0.00 N ATOM 834 CA CYS A 57 -6.618 -6.622 10.109 1.00 0.00 C ATOM 835 C CYS A 57 -5.237 -6.128 10.564 1.00 0.00 C ATOM 836 O CYS A 57 -4.698 -5.186 10.020 1.00 0.00 O ATOM 837 CB CYS A 57 -6.797 -6.313 8.619 1.00 0.00 C ATOM 838 SG CYS A 57 -8.123 -7.334 7.934 1.00 0.00 S ATOM 0 H CYS A 57 -7.485 -4.953 11.129 1.00 0.00 H new ATOM 0 HA CYS A 57 -6.690 -7.696 10.280 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -7.032 -5.257 8.483 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -5.866 -6.504 8.085 1.00 0.00 H new ATOM 843 N SER A 58 -4.657 -6.757 11.552 1.00 0.00 N ATOM 844 CA SER A 58 -3.310 -6.318 12.024 1.00 0.00 C ATOM 845 C SER A 58 -2.234 -6.817 11.057 1.00 0.00 C ATOM 846 O SER A 58 -1.187 -6.218 10.917 1.00 0.00 O ATOM 847 CB SER A 58 -3.038 -6.884 13.418 1.00 0.00 C ATOM 848 OG SER A 58 -1.750 -6.463 13.851 1.00 0.00 O ATOM 0 H SER A 58 -5.055 -7.552 12.051 1.00 0.00 H new ATOM 0 HA SER A 58 -3.287 -5.229 12.064 1.00 0.00 H new ATOM 0 HB2 SER A 58 -3.800 -6.541 14.118 1.00 0.00 H new ATOM 0 HB3 SER A 58 -3.090 -7.973 13.398 1.00 0.00 H new ATOM 0 HG SER A 58 -1.791 -5.527 14.138 1.00 0.00 H new ATOM 854 N ALA A 59 -2.476 -7.917 10.399 1.00 0.00 N ATOM 855 CA ALA A 59 -1.460 -8.460 9.453 1.00 0.00 C ATOM 856 C ALA A 59 -0.941 -7.345 8.541 1.00 0.00 C ATOM 857 O ALA A 59 0.046 -7.513 7.852 1.00 0.00 O ATOM 858 CB ALA A 59 -2.089 -9.566 8.605 1.00 0.00 C ATOM 0 H ALA A 59 -3.334 -8.464 10.475 1.00 0.00 H new ATOM 0 HA ALA A 59 -0.626 -8.868 10.023 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -1.345 -9.962 7.914 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -2.443 -10.366 9.255 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -2.928 -9.159 8.041 1.00 0.00 H new ATOM 864 N ILE A 60 -1.590 -6.204 8.538 1.00 0.00 N ATOM 865 CA ILE A 60 -1.133 -5.062 7.682 1.00 0.00 C ATOM 866 C ILE A 60 -0.873 -3.851 8.575 1.00 0.00 C ATOM 867 O ILE A 60 -0.679 -2.747 8.104 1.00 0.00 O ATOM 868 CB ILE A 60 -2.207 -4.730 6.638 1.00 0.00 C ATOM 869 CG1 ILE A 60 -3.545 -4.469 7.333 1.00 0.00 C ATOM 870 CG2 ILE A 60 -2.358 -5.907 5.670 1.00 0.00 C ATOM 871 CD1 ILE A 60 -4.568 -3.985 6.302 1.00 0.00 C ATOM 0 H ILE A 60 -2.422 -6.014 9.096 1.00 0.00 H new ATOM 0 HA ILE A 60 -0.216 -5.334 7.160 1.00 0.00 H new ATOM 0 HB ILE A 60 -1.908 -3.838 6.088 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -3.901 -5.380 7.815 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -3.421 -3.722 8.117 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -3.121 -5.672 4.928 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -1.408 -6.090 5.168 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -2.653 -6.798 6.224 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -5.522 -3.799 6.796 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -4.212 -3.064 5.841 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -4.700 -4.748 5.534 1.00 0.00 H new ATOM 883 N GLU A 61 -0.857 -4.053 9.866 1.00 0.00 N ATOM 884 CA GLU A 61 -0.596 -2.918 10.791 1.00 0.00 C ATOM 885 C GLU A 61 0.781 -2.353 10.457 1.00 0.00 C ATOM 886 O GLU A 61 0.964 -1.162 10.301 1.00 0.00 O ATOM 887 CB GLU A 61 -0.599 -3.431 12.235 1.00 0.00 C ATOM 888 CG GLU A 61 -0.677 -2.256 13.197 1.00 0.00 C ATOM 889 CD GLU A 61 -0.726 -2.775 14.635 1.00 0.00 C ATOM 890 OE1 GLU A 61 -0.886 -3.972 14.806 1.00 0.00 O ATOM 891 OE2 GLU A 61 -0.606 -1.967 15.541 1.00 0.00 O ATOM 0 H GLU A 61 -1.013 -4.954 10.317 1.00 0.00 H new ATOM 0 HA GLU A 61 -1.362 -2.150 10.684 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -1.446 -4.099 12.392 1.00 0.00 H new ATOM 0 HB3 GLU A 61 0.304 -4.011 12.427 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.187 -1.605 13.063 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -1.563 -1.657 12.985 1.00 0.00 H new ATOM 898 N LYS A 62 1.743 -3.220 10.328 1.00 0.00 N ATOM 899 CA LYS A 62 3.121 -2.777 9.979 1.00 0.00 C ATOM 900 C LYS A 62 3.098 -2.102 8.609 1.00 0.00 C ATOM 901 O LYS A 62 3.764 -1.113 8.378 1.00 0.00 O ATOM 902 CB LYS A 62 4.053 -3.987 9.929 1.00 0.00 C ATOM 903 CG LYS A 62 4.268 -4.527 11.341 1.00 0.00 C ATOM 904 CD LYS A 62 5.201 -5.738 11.285 1.00 0.00 C ATOM 905 CE LYS A 62 5.418 -6.280 12.697 1.00 0.00 C ATOM 906 NZ LYS A 62 6.071 -5.235 13.533 1.00 0.00 N ATOM 0 H LYS A 62 1.633 -4.227 10.450 1.00 0.00 H new ATOM 0 HA LYS A 62 3.479 -2.075 10.732 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.625 -4.762 9.294 1.00 0.00 H new ATOM 0 HB3 LYS A 62 5.009 -3.705 9.487 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.697 -3.753 11.977 1.00 0.00 H new ATOM 0 HG3 LYS A 62 3.313 -4.810 11.783 1.00 0.00 H new ATOM 0 HD2 LYS A 62 4.772 -6.512 10.649 1.00 0.00 H new ATOM 0 HD3 LYS A 62 6.156 -5.455 10.842 1.00 0.00 H new ATOM 0 HE2 LYS A 62 4.464 -6.570 13.138 1.00 0.00 H new ATOM 0 HE3 LYS A 62 6.039 -7.175 12.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 6.536 -5.683 14.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 6.781 -4.729 12.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 5.354 -4.562 13.870 1.00 0.00 H new ATOM 920 N THR A 63 2.341 -2.644 7.694 1.00 0.00 N ATOM 921 CA THR A 63 2.276 -2.052 6.331 1.00 0.00 C ATOM 922 C THR A 63 1.797 -0.606 6.425 1.00 0.00 C ATOM 923 O THR A 63 2.287 0.265 5.735 1.00 0.00 O ATOM 924 CB THR A 63 1.291 -2.856 5.478 1.00 0.00 C ATOM 925 OG1 THR A 63 1.734 -4.203 5.391 1.00 0.00 O ATOM 926 CG2 THR A 63 1.198 -2.248 4.075 1.00 0.00 C ATOM 0 H THR A 63 1.764 -3.473 7.834 1.00 0.00 H new ATOM 0 HA THR A 63 3.266 -2.078 5.875 1.00 0.00 H new ATOM 0 HB THR A 63 0.305 -2.827 5.941 1.00 0.00 H new ATOM 0 HG1 THR A 63 1.104 -4.720 4.847 1.00 0.00 H new ATOM 0 HG21 THR A 63 0.495 -2.825 3.474 1.00 0.00 H new ATOM 0 HG22 THR A 63 0.852 -1.217 4.147 1.00 0.00 H new ATOM 0 HG23 THR A 63 2.181 -2.268 3.604 1.00 0.00 H new ATOM 934 N GLN A 64 0.847 -0.341 7.273 1.00 0.00 N ATOM 935 CA GLN A 64 0.344 1.051 7.407 1.00 0.00 C ATOM 936 C GLN A 64 1.489 1.973 7.838 1.00 0.00 C ATOM 937 O GLN A 64 1.612 3.085 7.367 1.00 0.00 O ATOM 938 CB GLN A 64 -0.763 1.084 8.463 1.00 0.00 C ATOM 939 CG GLN A 64 -2.003 0.369 7.923 1.00 0.00 C ATOM 940 CD GLN A 64 -2.660 1.233 6.847 1.00 0.00 C ATOM 941 OE1 GLN A 64 -2.789 0.819 5.713 1.00 0.00 O ATOM 942 NE2 GLN A 64 -3.082 2.427 7.159 1.00 0.00 N ATOM 0 H GLN A 64 0.397 -1.027 7.879 1.00 0.00 H new ATOM 0 HA GLN A 64 -0.050 1.391 6.449 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -0.421 0.601 9.379 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -1.007 2.115 8.718 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -1.725 -0.600 7.508 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -2.708 0.179 8.732 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -2.973 2.774 8.112 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -3.521 3.014 6.450 1.00 0.00 H new ATOM 951 N ARG A 65 2.324 1.523 8.738 1.00 0.00 N ATOM 952 CA ARG A 65 3.452 2.382 9.203 1.00 0.00 C ATOM 953 C ARG A 65 4.436 2.650 8.057 1.00 0.00 C ATOM 954 O ARG A 65 4.823 3.775 7.816 1.00 0.00 O ATOM 955 CB ARG A 65 4.191 1.683 10.348 1.00 0.00 C ATOM 956 CG ARG A 65 3.304 1.665 11.594 1.00 0.00 C ATOM 957 CD ARG A 65 4.065 1.022 12.755 1.00 0.00 C ATOM 958 NE ARG A 65 5.187 1.911 13.168 1.00 0.00 N ATOM 959 CZ ARG A 65 5.751 1.754 14.335 1.00 0.00 C ATOM 960 NH1 ARG A 65 5.323 0.828 15.150 1.00 0.00 N ATOM 961 NH2 ARG A 65 6.742 2.526 14.690 1.00 0.00 N ATOM 0 H ARG A 65 2.274 0.600 9.170 1.00 0.00 H new ATOM 0 HA ARG A 65 3.044 3.332 9.548 1.00 0.00 H new ATOM 0 HB2 ARG A 65 4.451 0.665 10.059 1.00 0.00 H new ATOM 0 HB3 ARG A 65 5.126 2.202 10.562 1.00 0.00 H new ATOM 0 HG2 ARG A 65 3.009 2.681 11.857 1.00 0.00 H new ATOM 0 HG3 ARG A 65 2.388 1.109 11.393 1.00 0.00 H new ATOM 0 HD2 ARG A 65 3.392 0.854 13.596 1.00 0.00 H new ATOM 0 HD3 ARG A 65 4.451 0.048 12.455 1.00 0.00 H new ATOM 0 HE ARG A 65 5.515 2.643 12.538 1.00 0.00 H new ATOM 0 HH11 ARG A 65 4.547 0.226 14.875 1.00 0.00 H new ATOM 0 HH12 ARG A 65 5.765 0.707 16.061 1.00 0.00 H new ATOM 0 HH21 ARG A 65 7.076 3.252 14.056 1.00 0.00 H new ATOM 0 HH22 ARG A 65 7.183 2.403 15.602 1.00 0.00 H new ATOM 975 N MET A 66 4.856 1.628 7.359 1.00 0.00 N ATOM 976 CA MET A 66 5.830 1.838 6.247 1.00 0.00 C ATOM 977 C MET A 66 5.228 2.747 5.170 1.00 0.00 C ATOM 978 O MET A 66 5.900 3.600 4.624 1.00 0.00 O ATOM 979 CB MET A 66 6.216 0.485 5.638 1.00 0.00 C ATOM 980 CG MET A 66 7.076 -0.292 6.642 1.00 0.00 C ATOM 981 SD MET A 66 7.624 -1.859 5.911 1.00 0.00 S ATOM 982 CE MET A 66 6.035 -2.728 5.953 1.00 0.00 C ATOM 0 H MET A 66 4.569 0.661 7.509 1.00 0.00 H new ATOM 0 HA MET A 66 6.722 2.321 6.646 1.00 0.00 H new ATOM 0 HB2 MET A 66 5.320 -0.085 5.390 1.00 0.00 H new ATOM 0 HB3 MET A 66 6.766 0.634 4.709 1.00 0.00 H new ATOM 0 HG2 MET A 66 7.941 0.305 6.931 1.00 0.00 H new ATOM 0 HG3 MET A 66 6.504 -0.485 7.550 1.00 0.00 H new ATOM 0 HE1 MET A 66 6.189 -3.779 5.709 1.00 0.00 H new ATOM 0 HE2 MET A 66 5.602 -2.646 6.950 1.00 0.00 H new ATOM 0 HE3 MET A 66 5.357 -2.282 5.225 1.00 0.00 H new ATOM 992 N LEU A 67 3.973 2.579 4.857 1.00 0.00 N ATOM 993 CA LEU A 67 3.348 3.445 3.815 1.00 0.00 C ATOM 994 C LEU A 67 3.415 4.906 4.262 1.00 0.00 C ATOM 995 O LEU A 67 3.669 5.795 3.474 1.00 0.00 O ATOM 996 CB LEU A 67 1.885 3.044 3.614 1.00 0.00 C ATOM 997 CG LEU A 67 1.800 1.663 2.947 1.00 0.00 C ATOM 998 CD1 LEU A 67 0.348 1.179 2.985 1.00 0.00 C ATOM 999 CD2 LEU A 67 2.279 1.735 1.482 1.00 0.00 C ATOM 0 H LEU A 67 3.355 1.883 5.275 1.00 0.00 H new ATOM 0 HA LEU A 67 3.887 3.322 2.876 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.371 3.024 4.575 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.379 3.786 2.997 1.00 0.00 H new ATOM 0 HG LEU A 67 2.443 0.968 3.488 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.279 0.199 2.513 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.015 1.108 4.021 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.285 1.885 2.448 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.211 0.746 1.028 1.00 0.00 H new ATOM 0 HD22 LEU A 67 1.651 2.433 0.928 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.314 2.077 1.454 1.00 0.00 H new ATOM 1011 N SER A 68 3.191 5.160 5.521 1.00 0.00 N ATOM 1012 CA SER A 68 3.242 6.563 6.017 1.00 0.00 C ATOM 1013 C SER A 68 4.622 7.150 5.721 1.00 0.00 C ATOM 1014 O SER A 68 4.753 8.309 5.378 1.00 0.00 O ATOM 1015 CB SER A 68 2.993 6.582 7.526 1.00 0.00 C ATOM 1016 OG SER A 68 1.638 6.237 7.783 1.00 0.00 O ATOM 0 H SER A 68 2.975 4.457 6.228 1.00 0.00 H new ATOM 0 HA SER A 68 2.476 7.156 5.518 1.00 0.00 H new ATOM 0 HB2 SER A 68 3.660 5.879 8.025 1.00 0.00 H new ATOM 0 HB3 SER A 68 3.211 7.571 7.930 1.00 0.00 H new ATOM 0 HG SER A 68 1.518 5.272 7.662 1.00 0.00 H new ATOM 1022 N GLY A 69 5.652 6.362 5.854 1.00 0.00 N ATOM 1023 CA GLY A 69 7.025 6.878 5.586 1.00 0.00 C ATOM 1024 C GLY A 69 7.060 7.594 4.232 1.00 0.00 C ATOM 1025 O GLY A 69 7.801 8.538 4.044 1.00 0.00 O ATOM 0 H GLY A 69 5.603 5.383 6.137 1.00 0.00 H new ATOM 0 HA2 GLY A 69 7.325 7.564 6.378 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.739 6.055 5.590 1.00 0.00 H new ATOM 1029 N PHE A 70 6.262 7.163 3.285 1.00 0.00 N ATOM 1030 CA PHE A 70 6.251 7.834 1.945 1.00 0.00 C ATOM 1031 C PHE A 70 5.098 8.842 1.895 1.00 0.00 C ATOM 1032 O PHE A 70 4.892 9.518 0.907 1.00 0.00 O ATOM 1033 CB PHE A 70 6.057 6.787 0.846 1.00 0.00 C ATOM 1034 CG PHE A 70 7.240 5.846 0.817 1.00 0.00 C ATOM 1035 CD1 PHE A 70 8.390 6.190 0.094 1.00 0.00 C ATOM 1036 CD2 PHE A 70 7.183 4.626 1.500 1.00 0.00 C ATOM 1037 CE1 PHE A 70 9.481 5.315 0.055 1.00 0.00 C ATOM 1038 CE2 PHE A 70 8.276 3.751 1.464 1.00 0.00 C ATOM 1039 CZ PHE A 70 9.424 4.095 0.740 1.00 0.00 C ATOM 0 H PHE A 70 5.619 6.377 3.381 1.00 0.00 H new ATOM 0 HA PHE A 70 7.199 8.349 1.789 1.00 0.00 H new ATOM 0 HB2 PHE A 70 5.139 6.226 1.024 1.00 0.00 H new ATOM 0 HB3 PHE A 70 5.948 7.278 -0.121 1.00 0.00 H new ATOM 0 HD1 PHE A 70 8.434 7.131 -0.434 1.00 0.00 H new ATOM 0 HD2 PHE A 70 6.296 4.359 2.055 1.00 0.00 H new ATOM 0 HE1 PHE A 70 10.367 5.580 -0.503 1.00 0.00 H new ATOM 0 HE2 PHE A 70 8.233 2.811 1.995 1.00 0.00 H new ATOM 0 HZ PHE A 70 10.266 3.419 0.710 1.00 0.00 H new ATOM 1049 N CYS A 71 4.349 8.942 2.962 1.00 0.00 N ATOM 1050 CA CYS A 71 3.199 9.898 3.017 1.00 0.00 C ATOM 1051 C CYS A 71 3.286 10.682 4.343 1.00 0.00 C ATOM 1052 O CYS A 71 2.617 10.351 5.302 1.00 0.00 O ATOM 1053 CB CYS A 71 1.894 9.094 2.967 1.00 0.00 C ATOM 1054 SG CYS A 71 0.514 10.180 2.531 1.00 0.00 S ATOM 0 H CYS A 71 4.486 8.394 3.811 1.00 0.00 H new ATOM 0 HA CYS A 71 3.227 10.593 2.178 1.00 0.00 H new ATOM 0 HB2 CYS A 71 1.980 8.290 2.236 1.00 0.00 H new ATOM 0 HB3 CYS A 71 1.708 8.626 3.934 1.00 0.00 H new ATOM 1059 N PRO A 72 4.130 11.696 4.412 1.00 0.00 N ATOM 1060 CA PRO A 72 4.309 12.490 5.672 1.00 0.00 C ATOM 1061 C PRO A 72 3.003 13.039 6.274 1.00 0.00 C ATOM 1062 O PRO A 72 3.038 13.830 7.197 1.00 0.00 O ATOM 1063 CB PRO A 72 5.233 13.630 5.208 1.00 0.00 C ATOM 1064 CG PRO A 72 5.865 13.207 3.874 1.00 0.00 C ATOM 1065 CD PRO A 72 4.966 12.128 3.251 1.00 0.00 C ATOM 0 HA PRO A 72 4.705 11.877 6.482 1.00 0.00 H new ATOM 0 HB2 PRO A 72 4.668 14.554 5.087 1.00 0.00 H new ATOM 0 HB3 PRO A 72 6.005 13.823 5.953 1.00 0.00 H new ATOM 0 HG2 PRO A 72 5.954 14.063 3.205 1.00 0.00 H new ATOM 0 HG3 PRO A 72 6.872 12.820 4.033 1.00 0.00 H new ATOM 0 HD2 PRO A 72 4.358 12.526 2.438 1.00 0.00 H new ATOM 0 HD3 PRO A 72 5.547 11.303 2.840 1.00 0.00 H new ATOM 1073 N HIS A 73 1.860 12.631 5.778 1.00 0.00 N ATOM 1074 CA HIS A 73 0.565 13.138 6.346 1.00 0.00 C ATOM 1075 C HIS A 73 -0.388 11.956 6.571 1.00 0.00 C ATOM 1076 O HIS A 73 -0.715 11.224 5.659 1.00 0.00 O ATOM 1077 CB HIS A 73 -0.053 14.167 5.379 1.00 0.00 C ATOM 1078 CG HIS A 73 -0.760 13.480 4.239 1.00 0.00 C ATOM 1079 ND1 HIS A 73 -2.135 13.315 4.221 1.00 0.00 N ATOM 1080 CD2 HIS A 73 -0.300 12.921 3.074 1.00 0.00 C ATOM 1081 CE1 HIS A 73 -2.452 12.681 3.079 1.00 0.00 C ATOM 1082 NE2 HIS A 73 -1.371 12.417 2.342 1.00 0.00 N ATOM 0 H HIS A 73 1.765 11.971 5.006 1.00 0.00 H new ATOM 0 HA HIS A 73 0.743 13.628 7.303 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -0.756 14.801 5.918 1.00 0.00 H new ATOM 0 HB3 HIS A 73 0.728 14.818 4.987 1.00 0.00 H new ATOM 0 HD1 HIS A 73 -2.788 13.619 4.943 1.00 0.00 H new ATOM 0 HD2 HIS A 73 0.736 12.878 2.771 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -3.459 12.417 2.792 1.00 0.00 H new ATOM 1090 N LYS A 74 -0.822 11.761 7.789 1.00 0.00 N ATOM 1091 CA LYS A 74 -1.742 10.625 8.090 1.00 0.00 C ATOM 1092 C LYS A 74 -3.171 10.986 7.680 1.00 0.00 C ATOM 1093 O LYS A 74 -3.589 12.121 7.788 1.00 0.00 O ATOM 1094 CB LYS A 74 -1.715 10.331 9.592 1.00 0.00 C ATOM 1095 CG LYS A 74 -0.359 9.728 9.979 1.00 0.00 C ATOM 1096 CD LYS A 74 -0.310 9.461 11.498 1.00 0.00 C ATOM 1097 CE LYS A 74 -0.897 8.080 11.817 1.00 0.00 C ATOM 1098 NZ LYS A 74 -1.245 8.009 13.265 1.00 0.00 N ATOM 0 H LYS A 74 -0.578 12.342 8.591 1.00 0.00 H new ATOM 0 HA LYS A 74 -1.415 9.747 7.532 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -1.889 11.248 10.155 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -2.518 9.641 9.851 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -0.197 8.798 9.433 1.00 0.00 H new ATOM 0 HG3 LYS A 74 0.444 10.408 9.696 1.00 0.00 H new ATOM 0 HD2 LYS A 74 0.720 9.516 11.850 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -0.869 10.232 12.028 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -1.784 7.901 11.210 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -0.177 7.301 11.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -1.643 7.073 13.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -0.389 8.161 13.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -1.946 8.743 13.490 1.00 0.00 H new ATOM 1112 N VAL A 75 -3.930 10.019 7.224 1.00 0.00 N ATOM 1113 CA VAL A 75 -5.347 10.284 6.817 1.00 0.00 C ATOM 1114 C VAL A 75 -6.283 9.731 7.891 1.00 0.00 C ATOM 1115 O VAL A 75 -6.063 8.665 8.432 1.00 0.00 O ATOM 1116 CB VAL A 75 -5.646 9.596 5.482 1.00 0.00 C ATOM 1117 CG1 VAL A 75 -7.034 10.021 4.989 1.00 0.00 C ATOM 1118 CG2 VAL A 75 -4.598 10.008 4.444 1.00 0.00 C ATOM 0 H VAL A 75 -3.627 9.051 7.115 1.00 0.00 H new ATOM 0 HA VAL A 75 -5.497 11.358 6.705 1.00 0.00 H new ATOM 0 HB VAL A 75 -5.618 8.515 5.620 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -7.248 9.532 4.039 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -7.785 9.731 5.724 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -7.057 11.102 4.854 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -4.813 9.517 3.495 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -4.626 11.089 4.308 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -3.608 9.712 4.789 1.00 0.00 H new ATOM 1128 N SER A 76 -7.329 10.447 8.203 1.00 0.00 N ATOM 1129 CA SER A 76 -8.290 9.970 9.240 1.00 0.00 C ATOM 1130 C SER A 76 -9.450 9.244 8.558 1.00 0.00 C ATOM 1131 O SER A 76 -9.704 9.423 7.383 1.00 0.00 O ATOM 1132 CB SER A 76 -8.831 11.170 10.018 1.00 0.00 C ATOM 1133 OG SER A 76 -9.792 10.721 10.963 1.00 0.00 O ATOM 0 H SER A 76 -7.561 11.347 7.782 1.00 0.00 H new ATOM 0 HA SER A 76 -7.783 9.289 9.924 1.00 0.00 H new ATOM 0 HB2 SER A 76 -8.017 11.685 10.527 1.00 0.00 H new ATOM 0 HB3 SER A 76 -9.284 11.887 9.334 1.00 0.00 H new ATOM 0 HG SER A 76 -10.140 11.487 11.465 1.00 0.00 H new ATOM 1139 N ALA A 77 -10.152 8.421 9.284 1.00 0.00 N ATOM 1140 CA ALA A 77 -11.292 7.677 8.681 1.00 0.00 C ATOM 1141 C ALA A 77 -12.331 8.665 8.147 1.00 0.00 C ATOM 1142 O ALA A 77 -13.230 8.296 7.419 1.00 0.00 O ATOM 1143 CB ALA A 77 -11.935 6.788 9.748 1.00 0.00 C ATOM 0 H ALA A 77 -9.985 8.231 10.272 1.00 0.00 H new ATOM 0 HA ALA A 77 -10.928 7.061 7.859 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -12.770 6.241 9.311 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -11.196 6.081 10.126 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -12.297 7.408 10.568 1.00 0.00 H new ATOM 1149 N GLY A 78 -12.220 9.920 8.503 1.00 0.00 N ATOM 1150 CA GLY A 78 -13.206 10.937 8.016 1.00 0.00 C ATOM 1151 C GLY A 78 -12.603 11.738 6.858 1.00 0.00 C ATOM 1152 O GLY A 78 -13.312 12.290 6.040 1.00 0.00 O ATOM 0 H GLY A 78 -11.488 10.287 9.111 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -14.120 10.442 7.689 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -13.480 11.608 8.830 1.00 0.00 H new ATOM 1156 N GLN A 79 -11.299 11.814 6.782 1.00 0.00 N ATOM 1157 CA GLN A 79 -10.650 12.590 5.677 1.00 0.00 C ATOM 1158 C GLN A 79 -10.343 11.672 4.488 1.00 0.00 C ATOM 1159 O GLN A 79 -9.641 10.690 4.617 1.00 0.00 O ATOM 1160 CB GLN A 79 -9.347 13.206 6.191 1.00 0.00 C ATOM 1161 CG GLN A 79 -9.664 14.206 7.304 1.00 0.00 C ATOM 1162 CD GLN A 79 -10.381 15.419 6.707 1.00 0.00 C ATOM 1163 OE1 GLN A 79 -10.034 15.879 5.637 1.00 0.00 O ATOM 1164 NE2 GLN A 79 -11.378 15.956 7.355 1.00 0.00 N ATOM 0 H GLN A 79 -10.653 11.373 7.437 1.00 0.00 H new ATOM 0 HA GLN A 79 -11.331 13.376 5.349 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -8.685 12.425 6.566 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -8.822 13.705 5.377 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -10.290 13.736 8.063 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -8.745 14.520 7.799 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -11.670 15.570 8.253 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -11.866 16.762 6.963 1.00 0.00 H new ATOM 1173 N PHE A 80 -10.861 11.998 3.327 1.00 0.00 N ATOM 1174 CA PHE A 80 -10.604 11.168 2.104 1.00 0.00 C ATOM 1175 C PHE A 80 -10.145 12.080 0.962 1.00 0.00 C ATOM 1176 O PHE A 80 -10.633 13.182 0.815 1.00 0.00 O ATOM 1177 CB PHE A 80 -11.890 10.460 1.689 1.00 0.00 C ATOM 1178 CG PHE A 80 -12.303 9.480 2.759 1.00 0.00 C ATOM 1179 CD1 PHE A 80 -11.686 8.226 2.833 1.00 0.00 C ATOM 1180 CD2 PHE A 80 -13.304 9.822 3.675 1.00 0.00 C ATOM 1181 CE1 PHE A 80 -12.070 7.314 3.823 1.00 0.00 C ATOM 1182 CE2 PHE A 80 -13.689 8.910 4.665 1.00 0.00 C ATOM 1183 CZ PHE A 80 -13.071 7.655 4.738 1.00 0.00 C ATOM 0 H PHE A 80 -11.457 12.811 3.172 1.00 0.00 H new ATOM 0 HA PHE A 80 -9.833 10.429 2.322 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -12.682 11.191 1.527 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -11.740 9.938 0.744 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -10.913 7.962 2.126 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -13.780 10.790 3.618 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -11.593 6.347 3.880 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -14.462 9.174 5.372 1.00 0.00 H new ATOM 0 HZ PHE A 80 -13.368 6.951 5.501 1.00 0.00 H new ATOM 1193 N SER A 81 -9.203 11.634 0.157 1.00 0.00 N ATOM 1194 CA SER A 81 -8.701 12.482 -0.978 1.00 0.00 C ATOM 1195 C SER A 81 -8.863 11.762 -2.331 1.00 0.00 C ATOM 1196 O SER A 81 -9.195 12.378 -3.324 1.00 0.00 O ATOM 1197 CB SER A 81 -7.220 12.790 -0.751 1.00 0.00 C ATOM 1198 OG SER A 81 -7.031 13.210 0.593 1.00 0.00 O ATOM 0 H SER A 81 -8.760 10.719 0.238 1.00 0.00 H new ATOM 0 HA SER A 81 -9.287 13.401 -1.006 1.00 0.00 H new ATOM 0 HB2 SER A 81 -6.617 11.906 -0.957 1.00 0.00 H new ATOM 0 HB3 SER A 81 -6.889 13.569 -1.438 1.00 0.00 H new ATOM 0 HG SER A 81 -6.083 13.407 0.744 1.00 0.00 H new ATOM 1204 N SER A 82 -8.592 10.477 -2.394 1.00 0.00 N ATOM 1205 CA SER A 82 -8.688 9.746 -3.708 1.00 0.00 C ATOM 1206 C SER A 82 -10.031 9.019 -3.880 1.00 0.00 C ATOM 1207 O SER A 82 -10.334 8.529 -4.950 1.00 0.00 O ATOM 1208 CB SER A 82 -7.554 8.720 -3.793 1.00 0.00 C ATOM 1209 OG SER A 82 -7.352 8.358 -5.153 1.00 0.00 O ATOM 0 H SER A 82 -8.310 9.903 -1.599 1.00 0.00 H new ATOM 0 HA SER A 82 -8.609 10.488 -4.503 1.00 0.00 H new ATOM 0 HB2 SER A 82 -6.638 9.137 -3.375 1.00 0.00 H new ATOM 0 HB3 SER A 82 -7.801 7.838 -3.202 1.00 0.00 H new ATOM 0 HG SER A 82 -8.219 8.212 -5.585 1.00 0.00 H new ATOM 1215 N LEU A 83 -10.833 8.927 -2.861 1.00 0.00 N ATOM 1216 CA LEU A 83 -12.138 8.212 -3.013 1.00 0.00 C ATOM 1217 C LEU A 83 -13.155 9.155 -3.668 1.00 0.00 C ATOM 1218 O LEU A 83 -14.344 9.063 -3.436 1.00 0.00 O ATOM 1219 CB LEU A 83 -12.643 7.779 -1.630 1.00 0.00 C ATOM 1220 CG LEU A 83 -11.914 6.505 -1.179 1.00 0.00 C ATOM 1221 CD1 LEU A 83 -10.447 6.828 -0.872 1.00 0.00 C ATOM 1222 CD2 LEU A 83 -12.586 5.959 0.084 1.00 0.00 C ATOM 0 H LEU A 83 -10.649 9.311 -1.934 1.00 0.00 H new ATOM 0 HA LEU A 83 -12.008 7.330 -3.640 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -12.477 8.578 -0.907 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -13.718 7.599 -1.666 1.00 0.00 H new ATOM 0 HG LEU A 83 -11.961 5.761 -1.974 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -9.934 5.921 -0.552 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -9.966 7.221 -1.768 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -10.397 7.572 -0.077 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -12.072 5.054 0.408 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -12.537 6.707 0.875 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -13.629 5.726 -0.130 1.00 0.00 H new ATOM 1234 N HIS A 84 -12.690 10.062 -4.486 1.00 0.00 N ATOM 1235 CA HIS A 84 -13.618 11.016 -5.163 1.00 0.00 C ATOM 1236 C HIS A 84 -14.301 10.318 -6.344 1.00 0.00 C ATOM 1237 O HIS A 84 -15.426 10.619 -6.692 1.00 0.00 O ATOM 1238 CB HIS A 84 -12.820 12.217 -5.675 1.00 0.00 C ATOM 1239 CG HIS A 84 -12.147 12.895 -4.516 1.00 0.00 C ATOM 1240 ND1 HIS A 84 -12.334 12.474 -3.211 1.00 0.00 N ATOM 1241 CD2 HIS A 84 -11.276 13.955 -4.448 1.00 0.00 C ATOM 1242 CE1 HIS A 84 -11.592 13.267 -2.420 1.00 0.00 C ATOM 1243 NE2 HIS A 84 -10.927 14.188 -3.122 1.00 0.00 N ATOM 0 H HIS A 84 -11.704 10.184 -4.715 1.00 0.00 H new ATOM 0 HA HIS A 84 -14.375 11.352 -4.455 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -12.077 11.891 -6.402 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -13.481 12.916 -6.187 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -10.917 14.521 -5.295 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -11.540 13.171 -1.346 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -10.299 14.907 -2.763 1.00 0.00 H new ATOM 1251 N VAL A 85 -13.624 9.392 -6.967 1.00 0.00 N ATOM 1252 CA VAL A 85 -14.223 8.673 -8.131 1.00 0.00 C ATOM 1253 C VAL A 85 -15.210 7.616 -7.635 1.00 0.00 C ATOM 1254 O VAL A 85 -15.033 7.037 -6.582 1.00 0.00 O ATOM 1255 CB VAL A 85 -13.119 7.979 -8.933 1.00 0.00 C ATOM 1256 CG1 VAL A 85 -12.233 9.026 -9.610 1.00 0.00 C ATOM 1257 CG2 VAL A 85 -12.268 7.120 -7.992 1.00 0.00 C ATOM 0 H VAL A 85 -12.678 9.100 -6.720 1.00 0.00 H new ATOM 0 HA VAL A 85 -14.742 9.395 -8.762 1.00 0.00 H new ATOM 0 HB VAL A 85 -13.573 7.346 -9.696 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -11.449 8.526 -10.179 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -12.838 9.635 -10.282 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -11.780 9.664 -8.852 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -11.482 6.625 -8.562 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -11.818 7.754 -7.228 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -12.898 6.369 -7.516 1.00 0.00 H new ATOM 1267 N ARG A 86 -16.246 7.348 -8.390 1.00 0.00 N ATOM 1268 CA ARG A 86 -17.235 6.315 -7.959 1.00 0.00 C ATOM 1269 C ARG A 86 -16.820 4.959 -8.534 1.00 0.00 C ATOM 1270 O ARG A 86 -17.564 4.317 -9.249 1.00 0.00 O ATOM 1271 CB ARG A 86 -18.630 6.686 -8.473 1.00 0.00 C ATOM 1272 CG ARG A 86 -19.118 7.945 -7.753 1.00 0.00 C ATOM 1273 CD ARG A 86 -20.516 8.319 -8.254 1.00 0.00 C ATOM 1274 NE ARG A 86 -20.555 8.300 -9.756 1.00 0.00 N ATOM 1275 CZ ARG A 86 -19.740 9.022 -10.481 1.00 0.00 C ATOM 1276 NH1 ARG A 86 -18.962 9.910 -9.926 1.00 0.00 N ATOM 1277 NH2 ARG A 86 -19.746 8.890 -11.780 1.00 0.00 N ATOM 0 H ARG A 86 -16.449 7.798 -9.283 1.00 0.00 H new ATOM 0 HA ARG A 86 -17.260 6.263 -6.871 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -18.600 6.858 -9.549 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -19.324 5.863 -8.301 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -19.141 7.774 -6.677 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -18.426 8.768 -7.930 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -21.251 7.620 -7.856 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -20.787 9.310 -7.889 1.00 0.00 H new ATOM 0 HE ARG A 86 -21.238 7.705 -10.225 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -18.985 10.048 -8.916 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -18.331 10.467 -10.502 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -20.383 8.228 -12.222 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -19.114 9.449 -12.352 1.00 0.00 H new ATOM 1291 N ASP A 87 -15.629 4.522 -8.217 1.00 0.00 N ATOM 1292 CA ASP A 87 -15.140 3.207 -8.724 1.00 0.00 C ATOM 1293 C ASP A 87 -15.674 2.093 -7.823 1.00 0.00 C ATOM 1294 O ASP A 87 -16.265 2.348 -6.799 1.00 0.00 O ATOM 1295 CB ASP A 87 -13.610 3.189 -8.710 1.00 0.00 C ATOM 1296 CG ASP A 87 -13.078 4.097 -9.822 1.00 0.00 C ATOM 1297 OD1 ASP A 87 -13.798 4.306 -10.784 1.00 0.00 O ATOM 1298 OD2 ASP A 87 -11.958 4.564 -9.694 1.00 0.00 O ATOM 0 H ASP A 87 -14.969 5.025 -7.623 1.00 0.00 H new ATOM 0 HA ASP A 87 -15.491 3.053 -9.744 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -13.241 3.527 -7.742 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -13.246 2.171 -8.852 1.00 0.00 H new ATOM 1303 N THR A 88 -15.480 0.857 -8.198 1.00 0.00 N ATOM 1304 CA THR A 88 -15.990 -0.268 -7.355 1.00 0.00 C ATOM 1305 C THR A 88 -14.911 -0.714 -6.367 1.00 0.00 C ATOM 1306 O THR A 88 -13.755 -0.360 -6.488 1.00 0.00 O ATOM 1307 CB THR A 88 -16.365 -1.447 -8.255 1.00 0.00 C ATOM 1308 OG1 THR A 88 -15.226 -1.849 -9.005 1.00 0.00 O ATOM 1309 CG2 THR A 88 -17.487 -1.032 -9.205 1.00 0.00 C ATOM 0 H THR A 88 -14.992 0.576 -9.049 1.00 0.00 H new ATOM 0 HA THR A 88 -16.866 0.071 -6.802 1.00 0.00 H new ATOM 0 HB THR A 88 -16.707 -2.280 -7.640 1.00 0.00 H new ATOM 0 HG1 THR A 88 -15.464 -2.605 -9.581 1.00 0.00 H new ATOM 0 HG21 THR A 88 -17.752 -1.874 -9.845 1.00 0.00 H new ATOM 0 HG22 THR A 88 -18.359 -0.727 -8.627 1.00 0.00 H new ATOM 0 HG23 THR A 88 -17.151 -0.199 -9.822 1.00 0.00 H new ATOM 1317 N LYS A 89 -15.286 -1.494 -5.387 1.00 0.00 N ATOM 1318 CA LYS A 89 -14.293 -1.974 -4.381 1.00 0.00 C ATOM 1319 C LYS A 89 -13.634 -3.257 -4.892 1.00 0.00 C ATOM 1320 O LYS A 89 -14.214 -3.997 -5.662 1.00 0.00 O ATOM 1321 CB LYS A 89 -14.998 -2.275 -3.057 1.00 0.00 C ATOM 1322 CG LYS A 89 -15.583 -0.993 -2.466 1.00 0.00 C ATOM 1323 CD LYS A 89 -16.283 -1.320 -1.145 1.00 0.00 C ATOM 1324 CE LYS A 89 -16.849 -0.039 -0.533 1.00 0.00 C ATOM 1325 NZ LYS A 89 -17.731 -0.384 0.617 1.00 0.00 N ATOM 0 H LYS A 89 -16.241 -1.820 -5.240 1.00 0.00 H new ATOM 0 HA LYS A 89 -13.540 -1.201 -4.227 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -15.791 -3.005 -3.217 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -14.293 -2.719 -2.354 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -14.792 -0.261 -2.301 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -16.290 -0.546 -3.165 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -17.085 -2.039 -1.315 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -15.579 -1.785 -0.454 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -16.037 0.607 -0.201 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -17.412 0.517 -1.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -18.116 0.488 1.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -18.513 -0.985 0.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -17.180 -0.897 1.335 1.00 0.00 H new ATOM 1339 N ILE A 90 -12.420 -3.524 -4.468 1.00 0.00 N ATOM 1340 CA ILE A 90 -11.702 -4.760 -4.922 1.00 0.00 C ATOM 1341 C ILE A 90 -11.142 -5.511 -3.711 1.00 0.00 C ATOM 1342 O ILE A 90 -10.970 -4.954 -2.645 1.00 0.00 O ATOM 1343 CB ILE A 90 -10.560 -4.358 -5.862 1.00 0.00 C ATOM 1344 CG1 ILE A 90 -9.615 -3.379 -5.152 1.00 0.00 C ATOM 1345 CG2 ILE A 90 -11.142 -3.683 -7.104 1.00 0.00 C ATOM 1346 CD1 ILE A 90 -8.388 -3.130 -6.029 1.00 0.00 C ATOM 0 H ILE A 90 -11.893 -2.935 -3.823 1.00 0.00 H new ATOM 0 HA ILE A 90 -12.396 -5.414 -5.450 1.00 0.00 H new ATOM 0 HB ILE A 90 -10.003 -5.250 -6.150 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -10.130 -2.439 -4.953 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -9.310 -3.786 -4.188 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -10.332 -3.396 -7.775 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -11.809 -4.376 -7.616 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -11.700 -2.795 -6.808 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -7.716 -2.435 -5.526 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -7.869 -4.072 -6.205 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -8.702 -2.705 -6.982 1.00 0.00 H new ATOM 1358 N GLU A 91 -10.854 -6.772 -3.871 1.00 0.00 N ATOM 1359 CA GLU A 91 -10.310 -7.566 -2.735 1.00 0.00 C ATOM 1360 C GLU A 91 -8.955 -7.002 -2.306 1.00 0.00 C ATOM 1361 O GLU A 91 -8.146 -6.605 -3.121 1.00 0.00 O ATOM 1362 CB GLU A 91 -10.141 -9.024 -3.168 1.00 0.00 C ATOM 1363 CG GLU A 91 -11.518 -9.660 -3.369 1.00 0.00 C ATOM 1364 CD GLU A 91 -12.210 -9.824 -2.013 1.00 0.00 C ATOM 1365 OE1 GLU A 91 -11.508 -9.990 -1.029 1.00 0.00 O ATOM 1366 OE2 GLU A 91 -13.429 -9.779 -1.983 1.00 0.00 O ATOM 0 H GLU A 91 -10.972 -7.289 -4.743 1.00 0.00 H new ATOM 0 HA GLU A 91 -11.003 -7.510 -1.895 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -9.566 -9.075 -4.093 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -9.580 -9.576 -2.413 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -12.125 -9.037 -4.026 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -11.414 -10.630 -3.856 1.00 0.00 H new ATOM 1373 N VAL A 92 -8.706 -6.965 -1.025 1.00 0.00 N ATOM 1374 CA VAL A 92 -7.409 -6.427 -0.527 1.00 0.00 C ATOM 1375 C VAL A 92 -6.255 -7.249 -1.117 1.00 0.00 C ATOM 1376 O VAL A 92 -5.230 -6.718 -1.491 1.00 0.00 O ATOM 1377 CB VAL A 92 -7.388 -6.513 1.006 1.00 0.00 C ATOM 1378 CG1 VAL A 92 -5.980 -6.202 1.527 1.00 0.00 C ATOM 1379 CG2 VAL A 92 -8.386 -5.501 1.590 1.00 0.00 C ATOM 0 H VAL A 92 -9.348 -7.286 -0.300 1.00 0.00 H new ATOM 0 HA VAL A 92 -7.294 -5.387 -0.832 1.00 0.00 H new ATOM 0 HB VAL A 92 -7.668 -7.521 1.312 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -5.973 -6.265 2.615 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -5.273 -6.923 1.117 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -5.692 -5.197 1.220 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -8.371 -5.562 2.678 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -8.107 -4.494 1.279 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -9.389 -5.728 1.227 1.00 0.00 H new ATOM 1389 N ALA A 93 -6.410 -8.541 -1.203 1.00 0.00 N ATOM 1390 CA ALA A 93 -5.317 -9.384 -1.771 1.00 0.00 C ATOM 1391 C ALA A 93 -4.945 -8.876 -3.169 1.00 0.00 C ATOM 1392 O ALA A 93 -3.785 -8.824 -3.534 1.00 0.00 O ATOM 1393 CB ALA A 93 -5.785 -10.838 -1.860 1.00 0.00 C ATOM 0 H ALA A 93 -7.243 -9.050 -0.906 1.00 0.00 H new ATOM 0 HA ALA A 93 -4.443 -9.324 -1.123 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -4.986 -11.453 -2.275 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -6.041 -11.199 -0.864 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -6.662 -10.899 -2.505 1.00 0.00 H new ATOM 1399 N GLN A 94 -5.918 -8.491 -3.954 1.00 0.00 N ATOM 1400 CA GLN A 94 -5.615 -7.982 -5.323 1.00 0.00 C ATOM 1401 C GLN A 94 -5.027 -6.580 -5.203 1.00 0.00 C ATOM 1402 O GLN A 94 -4.179 -6.178 -5.975 1.00 0.00 O ATOM 1403 CB GLN A 94 -6.905 -7.929 -6.152 1.00 0.00 C ATOM 1404 CG GLN A 94 -6.601 -7.406 -7.560 1.00 0.00 C ATOM 1405 CD GLN A 94 -7.887 -7.397 -8.389 1.00 0.00 C ATOM 1406 OE1 GLN A 94 -8.860 -8.029 -8.027 1.00 0.00 O ATOM 1407 NE2 GLN A 94 -7.939 -6.691 -9.486 1.00 0.00 N ATOM 0 H GLN A 94 -6.907 -8.507 -3.706 1.00 0.00 H new ATOM 0 HA GLN A 94 -4.903 -8.644 -5.816 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -7.350 -8.922 -6.212 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -7.634 -7.282 -5.664 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -6.185 -6.400 -7.504 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -5.851 -8.035 -8.039 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -7.123 -6.160 -9.790 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -8.796 -6.670 -10.039 1.00 0.00 H new ATOM 1416 N PHE A 95 -5.466 -5.837 -4.231 1.00 0.00 N ATOM 1417 CA PHE A 95 -4.935 -4.463 -4.042 1.00 0.00 C ATOM 1418 C PHE A 95 -3.426 -4.528 -3.798 1.00 0.00 C ATOM 1419 O PHE A 95 -2.660 -3.795 -4.391 1.00 0.00 O ATOM 1420 CB PHE A 95 -5.619 -3.828 -2.830 1.00 0.00 C ATOM 1421 CG PHE A 95 -5.008 -2.480 -2.553 1.00 0.00 C ATOM 1422 CD1 PHE A 95 -3.901 -2.380 -1.702 1.00 0.00 C ATOM 1423 CD2 PHE A 95 -5.545 -1.333 -3.145 1.00 0.00 C ATOM 1424 CE1 PHE A 95 -3.331 -1.130 -1.444 1.00 0.00 C ATOM 1425 CE2 PHE A 95 -4.974 -0.084 -2.885 1.00 0.00 C ATOM 1426 CZ PHE A 95 -3.867 0.017 -2.036 1.00 0.00 C ATOM 0 H PHE A 95 -6.174 -6.124 -3.555 1.00 0.00 H new ATOM 0 HA PHE A 95 -5.131 -3.866 -4.933 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -6.688 -3.722 -3.017 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -5.510 -4.474 -1.959 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -3.488 -3.267 -1.245 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -6.399 -1.412 -3.802 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -2.477 -1.051 -0.788 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -5.388 0.804 -3.340 1.00 0.00 H new ATOM 0 HZ PHE A 95 -3.426 0.983 -1.838 1.00 0.00 H new ATOM 1436 N VAL A 96 -2.995 -5.396 -2.924 1.00 0.00 N ATOM 1437 CA VAL A 96 -1.537 -5.502 -2.634 1.00 0.00 C ATOM 1438 C VAL A 96 -0.783 -5.932 -3.894 1.00 0.00 C ATOM 1439 O VAL A 96 0.266 -5.406 -4.211 1.00 0.00 O ATOM 1440 CB VAL A 96 -1.309 -6.547 -1.539 1.00 0.00 C ATOM 1441 CG1 VAL A 96 0.196 -6.698 -1.278 1.00 0.00 C ATOM 1442 CG2 VAL A 96 -2.017 -6.106 -0.256 1.00 0.00 C ATOM 0 H VAL A 96 -3.590 -6.036 -2.398 1.00 0.00 H new ATOM 0 HA VAL A 96 -1.170 -4.530 -2.304 1.00 0.00 H new ATOM 0 HB VAL A 96 -1.715 -7.506 -1.861 1.00 0.00 H new ATOM 0 HG11 VAL A 96 0.357 -7.442 -0.498 1.00 0.00 H new ATOM 0 HG12 VAL A 96 0.694 -7.018 -2.193 1.00 0.00 H new ATOM 0 HG13 VAL A 96 0.607 -5.741 -0.957 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -1.854 -6.850 0.524 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.616 -5.146 0.069 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -3.086 -6.007 -0.446 1.00 0.00 H new ATOM 1452 N LYS A 97 -1.296 -6.898 -4.606 1.00 0.00 N ATOM 1453 CA LYS A 97 -0.595 -7.373 -5.832 1.00 0.00 C ATOM 1454 C LYS A 97 -0.463 -6.222 -6.837 1.00 0.00 C ATOM 1455 O LYS A 97 0.599 -5.981 -7.385 1.00 0.00 O ATOM 1456 CB LYS A 97 -1.393 -8.530 -6.436 1.00 0.00 C ATOM 1457 CG LYS A 97 -1.314 -9.724 -5.479 1.00 0.00 C ATOM 1458 CD LYS A 97 -2.100 -10.908 -6.044 1.00 0.00 C ATOM 1459 CE LYS A 97 -2.024 -12.080 -5.061 1.00 0.00 C ATOM 1460 NZ LYS A 97 -0.612 -12.541 -4.937 1.00 0.00 N ATOM 0 H LYS A 97 -2.170 -7.378 -4.392 1.00 0.00 H new ATOM 0 HA LYS A 97 0.407 -7.719 -5.581 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -2.431 -8.235 -6.590 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -0.990 -8.799 -7.412 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -0.273 -10.009 -5.327 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -1.714 -9.445 -4.504 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -3.139 -10.624 -6.210 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -1.692 -11.202 -7.011 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -2.404 -11.775 -4.086 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -2.655 -12.899 -5.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -0.575 -13.576 -5.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -0.038 -12.106 -5.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -0.236 -12.263 -4.008 1.00 0.00 H new ATOM 1474 N ASP A 98 -1.519 -5.490 -7.070 1.00 0.00 N ATOM 1475 CA ASP A 98 -1.424 -4.350 -8.024 1.00 0.00 C ATOM 1476 C ASP A 98 -0.376 -3.370 -7.502 1.00 0.00 C ATOM 1477 O ASP A 98 0.414 -2.824 -8.246 1.00 0.00 O ATOM 1478 CB ASP A 98 -2.781 -3.646 -8.117 1.00 0.00 C ATOM 1479 CG ASP A 98 -3.780 -4.549 -8.841 1.00 0.00 C ATOM 1480 OD1 ASP A 98 -3.339 -5.427 -9.564 1.00 0.00 O ATOM 1481 OD2 ASP A 98 -4.970 -4.346 -8.664 1.00 0.00 O ATOM 0 H ASP A 98 -2.435 -5.631 -6.645 1.00 0.00 H new ATOM 0 HA ASP A 98 -1.141 -4.711 -9.013 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -3.148 -3.409 -7.118 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -2.676 -2.702 -8.651 1.00 0.00 H new ATOM 1486 N LEU A 99 -0.365 -3.159 -6.217 1.00 0.00 N ATOM 1487 CA LEU A 99 0.622 -2.230 -5.603 1.00 0.00 C ATOM 1488 C LEU A 99 2.041 -2.792 -5.793 1.00 0.00 C ATOM 1489 O LEU A 99 2.991 -2.056 -5.975 1.00 0.00 O ATOM 1490 CB LEU A 99 0.300 -2.086 -4.108 1.00 0.00 C ATOM 1491 CG LEU A 99 1.276 -1.111 -3.435 1.00 0.00 C ATOM 1492 CD1 LEU A 99 1.109 0.300 -4.025 1.00 0.00 C ATOM 1493 CD2 LEU A 99 0.987 -1.075 -1.930 1.00 0.00 C ATOM 0 H LEU A 99 -1.007 -3.597 -5.557 1.00 0.00 H new ATOM 0 HA LEU A 99 0.568 -1.252 -6.080 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -0.722 -1.729 -3.984 1.00 0.00 H new ATOM 0 HB3 LEU A 99 0.359 -3.060 -3.623 1.00 0.00 H new ATOM 0 HG LEU A 99 2.298 -1.446 -3.610 1.00 0.00 H new ATOM 0 HD11 LEU A 99 1.807 0.982 -3.539 1.00 0.00 H new ATOM 0 HD12 LEU A 99 1.313 0.273 -5.095 1.00 0.00 H new ATOM 0 HD13 LEU A 99 0.089 0.645 -3.859 1.00 0.00 H new ATOM 0 HD21 LEU A 99 1.676 -0.385 -1.444 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -0.038 -0.742 -1.764 1.00 0.00 H new ATOM 0 HD23 LEU A 99 1.117 -2.073 -1.511 1.00 0.00 H new ATOM 1505 N LEU A 100 2.190 -4.091 -5.729 1.00 0.00 N ATOM 1506 CA LEU A 100 3.545 -4.712 -5.879 1.00 0.00 C ATOM 1507 C LEU A 100 4.170 -4.344 -7.231 1.00 0.00 C ATOM 1508 O LEU A 100 5.342 -4.029 -7.306 1.00 0.00 O ATOM 1509 CB LEU A 100 3.409 -6.238 -5.768 1.00 0.00 C ATOM 1510 CG LEU A 100 4.775 -6.928 -5.938 1.00 0.00 C ATOM 1511 CD1 LEU A 100 5.752 -6.463 -4.849 1.00 0.00 C ATOM 1512 CD2 LEU A 100 4.576 -8.443 -5.827 1.00 0.00 C ATOM 0 H LEU A 100 1.429 -4.753 -5.579 1.00 0.00 H new ATOM 0 HA LEU A 100 4.196 -4.335 -5.091 1.00 0.00 H new ATOM 0 HB2 LEU A 100 2.984 -6.499 -4.799 1.00 0.00 H new ATOM 0 HB3 LEU A 100 2.717 -6.601 -6.528 1.00 0.00 H new ATOM 0 HG LEU A 100 5.190 -6.668 -6.912 1.00 0.00 H new ATOM 0 HD11 LEU A 100 6.712 -6.961 -4.985 1.00 0.00 H new ATOM 0 HD12 LEU A 100 5.890 -5.384 -4.920 1.00 0.00 H new ATOM 0 HD13 LEU A 100 5.349 -6.713 -3.868 1.00 0.00 H new ATOM 0 HD21 LEU A 100 5.536 -8.946 -5.946 1.00 0.00 H new ATOM 0 HD22 LEU A 100 4.158 -8.684 -4.850 1.00 0.00 H new ATOM 0 HD23 LEU A 100 3.892 -8.778 -6.607 1.00 0.00 H new ATOM 1524 N LEU A 101 3.419 -4.382 -8.300 1.00 0.00 N ATOM 1525 CA LEU A 101 4.023 -4.035 -9.627 1.00 0.00 C ATOM 1526 C LEU A 101 4.564 -2.597 -9.600 1.00 0.00 C ATOM 1527 O LEU A 101 5.658 -2.331 -10.057 1.00 0.00 O ATOM 1528 CB LEU A 101 2.962 -4.166 -10.737 1.00 0.00 C ATOM 1529 CG LEU A 101 2.807 -5.634 -11.184 1.00 0.00 C ATOM 1530 CD1 LEU A 101 4.015 -6.075 -12.036 1.00 0.00 C ATOM 1531 CD2 LEU A 101 2.683 -6.544 -9.956 1.00 0.00 C ATOM 0 H LEU A 101 2.431 -4.633 -8.317 1.00 0.00 H new ATOM 0 HA LEU A 101 4.844 -4.723 -9.830 1.00 0.00 H new ATOM 0 HB2 LEU A 101 2.005 -3.789 -10.376 1.00 0.00 H new ATOM 0 HB3 LEU A 101 3.246 -3.550 -11.591 1.00 0.00 H new ATOM 0 HG LEU A 101 1.904 -5.716 -11.789 1.00 0.00 H new ATOM 0 HD11 LEU A 101 3.886 -7.113 -12.341 1.00 0.00 H new ATOM 0 HD12 LEU A 101 4.086 -5.443 -12.921 1.00 0.00 H new ATOM 0 HD13 LEU A 101 4.928 -5.980 -11.449 1.00 0.00 H new ATOM 0 HD21 LEU A 101 2.574 -7.579 -10.280 1.00 0.00 H new ATOM 0 HD22 LEU A 101 3.578 -6.449 -9.341 1.00 0.00 H new ATOM 0 HD23 LEU A 101 1.809 -6.252 -9.373 1.00 0.00 H new ATOM 1543 N HIS A 102 3.810 -1.667 -9.085 1.00 0.00 N ATOM 1544 CA HIS A 102 4.290 -0.254 -9.052 1.00 0.00 C ATOM 1545 C HIS A 102 5.450 -0.077 -8.066 1.00 0.00 C ATOM 1546 O HIS A 102 6.374 0.659 -8.328 1.00 0.00 O ATOM 1547 CB HIS A 102 3.136 0.674 -8.653 1.00 0.00 C ATOM 1548 CG HIS A 102 2.240 0.896 -9.836 1.00 0.00 C ATOM 1549 ND1 HIS A 102 2.456 1.926 -10.736 1.00 0.00 N ATOM 1550 CD2 HIS A 102 1.130 0.230 -10.284 1.00 0.00 C ATOM 1551 CE1 HIS A 102 1.498 1.854 -11.673 1.00 0.00 C ATOM 1552 NE2 HIS A 102 0.660 0.837 -11.447 1.00 0.00 N ATOM 0 H HIS A 102 2.884 -1.822 -8.686 1.00 0.00 H new ATOM 0 HA HIS A 102 4.649 0.002 -10.049 1.00 0.00 H new ATOM 0 HB2 HIS A 102 2.570 0.235 -7.832 1.00 0.00 H new ATOM 0 HB3 HIS A 102 3.528 1.627 -8.296 1.00 0.00 H new ATOM 0 HD2 HIS A 102 0.687 -0.633 -9.809 1.00 0.00 H new ATOM 0 HE1 HIS A 102 1.414 2.534 -12.508 1.00 0.00 H new ATOM 0 HE2 HIS A 102 -0.149 0.564 -12.005 1.00 0.00 H new ATOM 1560 N LEU A 103 5.409 -0.701 -6.925 1.00 0.00 N ATOM 1561 CA LEU A 103 6.520 -0.487 -5.950 1.00 0.00 C ATOM 1562 C LEU A 103 7.863 -0.857 -6.576 1.00 0.00 C ATOM 1563 O LEU A 103 8.798 -0.082 -6.539 1.00 0.00 O ATOM 1564 CB LEU A 103 6.295 -1.348 -4.705 1.00 0.00 C ATOM 1565 CG LEU A 103 5.105 -0.820 -3.890 1.00 0.00 C ATOM 1566 CD1 LEU A 103 4.745 -1.853 -2.818 1.00 0.00 C ATOM 1567 CD2 LEU A 103 5.466 0.514 -3.203 1.00 0.00 C ATOM 0 H LEU A 103 4.672 -1.339 -6.625 1.00 0.00 H new ATOM 0 HA LEU A 103 6.533 0.567 -5.673 1.00 0.00 H new ATOM 0 HB2 LEU A 103 6.111 -2.381 -4.999 1.00 0.00 H new ATOM 0 HB3 LEU A 103 7.194 -1.347 -4.088 1.00 0.00 H new ATOM 0 HG LEU A 103 4.262 -0.652 -4.560 1.00 0.00 H new ATOM 0 HD11 LEU A 103 3.901 -1.490 -2.232 1.00 0.00 H new ATOM 0 HD12 LEU A 103 4.476 -2.795 -3.296 1.00 0.00 H new ATOM 0 HD13 LEU A 103 5.601 -2.010 -2.162 1.00 0.00 H new ATOM 0 HD21 LEU A 103 4.610 0.872 -2.631 1.00 0.00 H new ATOM 0 HD22 LEU A 103 6.312 0.361 -2.533 1.00 0.00 H new ATOM 0 HD23 LEU A 103 5.731 1.253 -3.959 1.00 0.00 H new ATOM 1579 N LYS A 104 7.986 -2.016 -7.155 1.00 0.00 N ATOM 1580 CA LYS A 104 9.293 -2.375 -7.770 1.00 0.00 C ATOM 1581 C LYS A 104 9.538 -1.523 -9.025 1.00 0.00 C ATOM 1582 O LYS A 104 10.654 -1.402 -9.489 1.00 0.00 O ATOM 1583 CB LYS A 104 9.345 -3.871 -8.106 1.00 0.00 C ATOM 1584 CG LYS A 104 8.240 -4.250 -9.091 1.00 0.00 C ATOM 1585 CD LYS A 104 8.392 -5.735 -9.446 1.00 0.00 C ATOM 1586 CE LYS A 104 7.204 -6.209 -10.288 1.00 0.00 C ATOM 1587 NZ LYS A 104 7.605 -7.420 -11.061 1.00 0.00 N ATOM 0 H LYS A 104 7.252 -2.721 -7.229 1.00 0.00 H new ATOM 0 HA LYS A 104 10.085 -2.168 -7.050 1.00 0.00 H new ATOM 0 HB2 LYS A 104 10.317 -4.118 -8.532 1.00 0.00 H new ATOM 0 HB3 LYS A 104 9.239 -4.456 -7.193 1.00 0.00 H new ATOM 0 HG2 LYS A 104 7.260 -4.064 -8.651 1.00 0.00 H new ATOM 0 HG3 LYS A 104 8.307 -3.637 -9.990 1.00 0.00 H new ATOM 0 HD2 LYS A 104 9.320 -5.890 -9.996 1.00 0.00 H new ATOM 0 HD3 LYS A 104 8.459 -6.328 -8.534 1.00 0.00 H new ATOM 0 HE2 LYS A 104 6.355 -6.438 -9.644 1.00 0.00 H new ATOM 0 HE3 LYS A 104 6.885 -5.418 -10.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 6.802 -7.747 -11.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 8.404 -7.185 -11.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 7.889 -8.173 -10.403 1.00 0.00 H new ATOM 1601 N LYS A 105 8.508 -0.938 -9.586 1.00 0.00 N ATOM 1602 CA LYS A 105 8.701 -0.109 -10.817 1.00 0.00 C ATOM 1603 C LYS A 105 9.542 1.138 -10.500 1.00 0.00 C ATOM 1604 O LYS A 105 10.464 1.465 -11.219 1.00 0.00 O ATOM 1605 CB LYS A 105 7.334 0.325 -11.370 1.00 0.00 C ATOM 1606 CG LYS A 105 7.529 1.157 -12.647 1.00 0.00 C ATOM 1607 CD LYS A 105 6.166 1.562 -13.214 1.00 0.00 C ATOM 1608 CE LYS A 105 6.366 2.398 -14.481 1.00 0.00 C ATOM 1609 NZ LYS A 105 6.859 1.526 -15.586 1.00 0.00 N ATOM 0 H LYS A 105 7.548 -0.998 -9.248 1.00 0.00 H new ATOM 0 HA LYS A 105 9.225 -0.709 -11.561 1.00 0.00 H new ATOM 0 HB2 LYS A 105 6.724 -0.552 -11.586 1.00 0.00 H new ATOM 0 HB3 LYS A 105 6.798 0.910 -10.622 1.00 0.00 H new ATOM 0 HG2 LYS A 105 8.120 2.046 -12.426 1.00 0.00 H new ATOM 0 HG3 LYS A 105 8.084 0.580 -13.387 1.00 0.00 H new ATOM 0 HD2 LYS A 105 5.577 0.674 -13.441 1.00 0.00 H new ATOM 0 HD3 LYS A 105 5.608 2.134 -12.473 1.00 0.00 H new ATOM 0 HE2 LYS A 105 5.427 2.870 -14.769 1.00 0.00 H new ATOM 0 HE3 LYS A 105 7.080 3.199 -14.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 6.754 2.023 -16.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 7.862 1.300 -15.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 6.305 0.646 -15.607 1.00 0.00 H new ATOM 1623 N LEU A 106 9.232 1.843 -9.443 1.00 0.00 N ATOM 1624 CA LEU A 106 10.021 3.071 -9.111 1.00 0.00 C ATOM 1625 C LEU A 106 11.477 2.692 -8.817 1.00 0.00 C ATOM 1626 O LEU A 106 12.384 3.472 -9.036 1.00 0.00 O ATOM 1627 CB LEU A 106 9.409 3.781 -7.892 1.00 0.00 C ATOM 1628 CG LEU A 106 8.174 4.609 -8.309 1.00 0.00 C ATOM 1629 CD1 LEU A 106 8.588 5.862 -9.102 1.00 0.00 C ATOM 1630 CD2 LEU A 106 7.238 3.751 -9.167 1.00 0.00 C ATOM 0 H LEU A 106 8.472 1.625 -8.798 1.00 0.00 H new ATOM 0 HA LEU A 106 9.993 3.749 -9.964 1.00 0.00 H new ATOM 0 HB2 LEU A 106 9.123 3.045 -7.141 1.00 0.00 H new ATOM 0 HB3 LEU A 106 10.152 4.433 -7.433 1.00 0.00 H new ATOM 0 HG LEU A 106 7.658 4.927 -7.403 1.00 0.00 H new ATOM 0 HD11 LEU A 106 7.698 6.426 -9.382 1.00 0.00 H new ATOM 0 HD12 LEU A 106 9.234 6.487 -8.485 1.00 0.00 H new ATOM 0 HD13 LEU A 106 9.126 5.562 -10.001 1.00 0.00 H new ATOM 0 HD21 LEU A 106 6.369 4.341 -9.458 1.00 0.00 H new ATOM 0 HD22 LEU A 106 7.766 3.418 -10.060 1.00 0.00 H new ATOM 0 HD23 LEU A 106 6.912 2.883 -8.594 1.00 0.00 H new ATOM 1642 N PHE A 107 11.713 1.511 -8.318 1.00 0.00 N ATOM 1643 CA PHE A 107 13.113 1.101 -8.008 1.00 0.00 C ATOM 1644 C PHE A 107 13.945 1.145 -9.288 1.00 0.00 C ATOM 1645 O PHE A 107 15.092 1.548 -9.283 1.00 0.00 O ATOM 1646 CB PHE A 107 13.126 -0.324 -7.453 1.00 0.00 C ATOM 1647 CG PHE A 107 14.527 -0.667 -7.000 1.00 0.00 C ATOM 1648 CD1 PHE A 107 15.055 -0.054 -5.858 1.00 0.00 C ATOM 1649 CD2 PHE A 107 15.298 -1.591 -7.719 1.00 0.00 C ATOM 1650 CE1 PHE A 107 16.351 -0.364 -5.432 1.00 0.00 C ATOM 1651 CE2 PHE A 107 16.596 -1.901 -7.292 1.00 0.00 C ATOM 1652 CZ PHE A 107 17.122 -1.288 -6.149 1.00 0.00 C ATOM 0 H PHE A 107 10.999 0.812 -8.111 1.00 0.00 H new ATOM 0 HA PHE A 107 13.531 1.782 -7.267 1.00 0.00 H new ATOM 0 HB2 PHE A 107 12.430 -0.409 -6.618 1.00 0.00 H new ATOM 0 HB3 PHE A 107 12.795 -1.028 -8.217 1.00 0.00 H new ATOM 0 HD1 PHE A 107 14.461 0.659 -5.305 1.00 0.00 H new ATOM 0 HD2 PHE A 107 14.892 -2.063 -8.601 1.00 0.00 H new ATOM 0 HE1 PHE A 107 16.757 0.109 -4.550 1.00 0.00 H new ATOM 0 HE2 PHE A 107 17.191 -2.613 -7.845 1.00 0.00 H new ATOM 0 HZ PHE A 107 18.122 -1.527 -5.820 1.00 0.00 H new ATOM 1662 N ARG A 108 13.381 0.722 -10.381 1.00 0.00 N ATOM 1663 CA ARG A 108 14.136 0.727 -11.662 1.00 0.00 C ATOM 1664 C ARG A 108 14.565 2.156 -12.004 1.00 0.00 C ATOM 1665 O ARG A 108 15.654 2.384 -12.493 1.00 0.00 O ATOM 1666 CB ARG A 108 13.248 0.174 -12.776 1.00 0.00 C ATOM 1667 CG ARG A 108 13.012 -1.317 -12.533 1.00 0.00 C ATOM 1668 CD ARG A 108 12.132 -1.890 -13.644 1.00 0.00 C ATOM 1669 NE ARG A 108 12.853 -1.806 -14.943 1.00 0.00 N ATOM 1670 CZ ARG A 108 12.477 -2.552 -15.945 1.00 0.00 C ATOM 1671 NH1 ARG A 108 11.474 -3.376 -15.806 1.00 0.00 N ATOM 1672 NH2 ARG A 108 13.107 -2.478 -17.086 1.00 0.00 N ATOM 0 H ARG A 108 12.425 0.371 -10.443 1.00 0.00 H new ATOM 0 HA ARG A 108 15.024 0.103 -11.562 1.00 0.00 H new ATOM 0 HB2 ARG A 108 12.297 0.707 -12.798 1.00 0.00 H new ATOM 0 HB3 ARG A 108 13.722 0.327 -13.746 1.00 0.00 H new ATOM 0 HG2 ARG A 108 13.965 -1.845 -12.503 1.00 0.00 H new ATOM 0 HG3 ARG A 108 12.534 -1.466 -11.565 1.00 0.00 H new ATOM 0 HD2 ARG A 108 11.879 -2.927 -13.423 1.00 0.00 H new ATOM 0 HD3 ARG A 108 11.194 -1.338 -13.700 1.00 0.00 H new ATOM 0 HE ARG A 108 13.640 -1.166 -15.050 1.00 0.00 H new ATOM 0 HH11 ARG A 108 10.984 -3.437 -14.914 1.00 0.00 H new ATOM 0 HH12 ARG A 108 11.181 -3.959 -16.590 1.00 0.00 H new ATOM 0 HH21 ARG A 108 13.893 -1.837 -17.194 1.00 0.00 H new ATOM 0 HH22 ARG A 108 12.813 -3.061 -17.870 1.00 0.00 H new ATOM 1686 N GLU A 109 13.717 3.122 -11.766 1.00 0.00 N ATOM 1687 CA GLU A 109 14.085 4.532 -12.093 1.00 0.00 C ATOM 1688 C GLU A 109 14.879 5.149 -10.934 1.00 0.00 C ATOM 1689 O GLU A 109 15.505 6.179 -11.082 1.00 0.00 O ATOM 1690 CB GLU A 109 12.808 5.346 -12.322 1.00 0.00 C ATOM 1691 CG GLU A 109 12.091 4.834 -13.573 1.00 0.00 C ATOM 1692 CD GLU A 109 10.815 5.647 -13.802 1.00 0.00 C ATOM 1693 OE1 GLU A 109 10.477 6.439 -12.938 1.00 0.00 O ATOM 1694 OE2 GLU A 109 10.195 5.460 -14.836 1.00 0.00 O ATOM 0 H GLU A 109 12.789 2.997 -11.361 1.00 0.00 H new ATOM 0 HA GLU A 109 14.699 4.543 -12.993 1.00 0.00 H new ATOM 0 HB2 GLU A 109 12.152 5.264 -11.455 1.00 0.00 H new ATOM 0 HB3 GLU A 109 13.053 6.402 -12.437 1.00 0.00 H new ATOM 0 HG2 GLU A 109 12.747 4.916 -14.440 1.00 0.00 H new ATOM 0 HG3 GLU A 109 11.846 3.778 -13.458 1.00 0.00 H new ATOM 1701 N GLY A 110 14.868 4.528 -9.784 1.00 0.00 N ATOM 1702 CA GLY A 110 15.632 5.083 -8.631 1.00 0.00 C ATOM 1703 C GLY A 110 14.981 6.382 -8.150 1.00 0.00 C ATOM 1704 O GLY A 110 15.537 7.100 -7.342 1.00 0.00 O ATOM 0 H GLY A 110 14.364 3.662 -9.595 1.00 0.00 H new ATOM 0 HA2 GLY A 110 15.659 4.357 -7.818 1.00 0.00 H new ATOM 0 HA3 GLY A 110 16.665 5.271 -8.925 1.00 0.00 H new ATOM 1708 N ARG A 111 13.804 6.692 -8.630 1.00 0.00 N ATOM 1709 CA ARG A 111 13.120 7.947 -8.187 1.00 0.00 C ATOM 1710 C ARG A 111 12.177 7.627 -7.028 1.00 0.00 C ATOM 1711 O ARG A 111 11.084 7.132 -7.213 1.00 0.00 O ATOM 1712 CB ARG A 111 12.331 8.540 -9.355 1.00 0.00 C ATOM 1713 CG ARG A 111 13.311 9.089 -10.395 1.00 0.00 C ATOM 1714 CD ARG A 111 12.534 9.703 -11.557 1.00 0.00 C ATOM 1715 NE ARG A 111 11.844 10.938 -11.087 1.00 0.00 N ATOM 1716 CZ ARG A 111 11.357 11.785 -11.950 1.00 0.00 C ATOM 1717 NH1 ARG A 111 11.471 11.552 -13.228 1.00 0.00 N ATOM 1718 NH2 ARG A 111 10.754 12.865 -11.534 1.00 0.00 N ATOM 0 H ARG A 111 13.287 6.133 -9.308 1.00 0.00 H new ATOM 0 HA ARG A 111 13.863 8.673 -7.856 1.00 0.00 H new ATOM 0 HB2 ARG A 111 11.694 7.778 -9.804 1.00 0.00 H new ATOM 0 HB3 ARG A 111 11.675 9.335 -9.000 1.00 0.00 H new ATOM 0 HG2 ARG A 111 13.957 9.839 -9.940 1.00 0.00 H new ATOM 0 HG3 ARG A 111 13.957 8.290 -10.758 1.00 0.00 H new ATOM 0 HD2 ARG A 111 13.211 9.940 -12.378 1.00 0.00 H new ATOM 0 HD3 ARG A 111 11.806 8.989 -11.941 1.00 0.00 H new ATOM 0 HE ARG A 111 11.753 11.121 -10.088 1.00 0.00 H new ATOM 0 HH11 ARG A 111 11.941 10.707 -13.552 1.00 0.00 H new ATOM 0 HH12 ARG A 111 11.090 12.215 -13.903 1.00 0.00 H new ATOM 0 HH21 ARG A 111 10.664 13.046 -10.534 1.00 0.00 H new ATOM 0 HH22 ARG A 111 10.373 13.528 -12.209 1.00 0.00 H new ATOM 1732 N PHE A 112 12.610 7.899 -5.826 1.00 0.00 N ATOM 1733 CA PHE A 112 11.771 7.609 -4.627 1.00 0.00 C ATOM 1734 C PHE A 112 11.012 8.871 -4.209 1.00 0.00 C ATOM 1735 O PHE A 112 11.600 9.892 -3.912 1.00 0.00 O ATOM 1736 CB PHE A 112 12.696 7.143 -3.503 1.00 0.00 C ATOM 1737 CG PHE A 112 13.558 6.033 -4.048 1.00 0.00 C ATOM 1738 CD1 PHE A 112 13.062 4.728 -4.091 1.00 0.00 C ATOM 1739 CD2 PHE A 112 14.843 6.311 -4.533 1.00 0.00 C ATOM 1740 CE1 PHE A 112 13.849 3.698 -4.617 1.00 0.00 C ATOM 1741 CE2 PHE A 112 15.631 5.278 -5.058 1.00 0.00 C ATOM 1742 CZ PHE A 112 15.133 3.973 -5.101 1.00 0.00 C ATOM 0 H PHE A 112 13.519 8.314 -5.622 1.00 0.00 H new ATOM 0 HA PHE A 112 11.040 6.832 -4.850 1.00 0.00 H new ATOM 0 HB2 PHE A 112 13.314 7.968 -3.150 1.00 0.00 H new ATOM 0 HB3 PHE A 112 12.115 6.792 -2.650 1.00 0.00 H new ATOM 0 HD1 PHE A 112 12.071 4.514 -3.718 1.00 0.00 H new ATOM 0 HD2 PHE A 112 15.226 7.320 -4.502 1.00 0.00 H new ATOM 0 HE1 PHE A 112 13.465 2.689 -4.650 1.00 0.00 H new ATOM 0 HE2 PHE A 112 16.623 5.490 -5.429 1.00 0.00 H new ATOM 0 HZ PHE A 112 15.739 3.177 -5.508 1.00 0.00 H new ATOM 1752 N ASN A 113 9.709 8.809 -4.189 1.00 0.00 N ATOM 1753 CA ASN A 113 8.910 10.004 -3.796 1.00 0.00 C ATOM 1754 C ASN A 113 9.409 11.231 -4.563 1.00 0.00 C ATOM 1755 CB ASN A 113 9.055 10.252 -2.293 1.00 0.00 C ATOM 1756 CG ASN A 113 8.058 11.328 -1.859 1.00 0.00 C ATOM 1757 OD1 ASN A 113 8.444 12.434 -1.535 1.00 0.00 O ATOM 1758 ND2 ASN A 113 6.783 11.051 -1.839 1.00 0.00 N ATOM 1759 OXT ASN A 113 9.193 11.285 -5.763 1.00 0.00 O ATOM 0 H ASN A 113 9.163 7.982 -4.428 1.00 0.00 H new ATOM 0 HA ASN A 113 7.861 9.827 -4.034 1.00 0.00 H new ATOM 0 HB2 ASN A 113 8.875 9.329 -1.742 1.00 0.00 H new ATOM 0 HB3 ASN A 113 10.072 10.568 -2.061 1.00 0.00 H new ATOM 0 HD21 ASN A 113 6.111 11.762 -1.552 1.00 0.00 H new ATOM 0 HD22 ASN A 113 6.458 10.123 -2.111 1.00 0.00 H new TER 1766 ASN A 113