USER MOD reduce.3.24.130724 H: found=0, std=0, add=475, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 475 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 36 CYS SG : rot -141:sc= -11.1! USER MOD Set 1.2: A 61 MET CE :methyl -161:sc= -20.7! (180deg=-22!) USER MOD Single : A 3 SER OG : rot -82:sc= 0.128 USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HE2:sc= -4.73! C(o=-4.7!,f=-3!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= -0.0481 X(o=-0.048,f=-0.032) USER MOD Single : A 14 MET CE :methyl -138:sc= -9.64! (180deg=-16.2!) USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.607 USER MOD Single : A 17 HIS : no HD1:sc= -8.19! C(o=-8.2!,f=-5.2!) USER MOD Single : A 19 LYS NZ :NH3+ 142:sc= -0.176 (180deg=-1.27!) USER MOD Single : A 31 ASN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 34 THR OG1 : rot 22:sc= -6.57! USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot -120:sc= -2.73! USER MOD Single : A 53 SER OG : rot -72:sc= -0.4 USER MOD Single : A 54 LYS NZ :NH3+ 151:sc= -0.0928 (180deg=-0.542) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 146:sc=-0.00202 (180deg=-0.393) USER MOD Single : A 66 GLN : amide:sc= -3.04! C(o=-3!,f=-4.3!) USER MOD Single : A 67 LYS NZ :NH3+ -161:sc= -0.0125 (180deg=-0.269) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -3.506 7.955 5.657 1.00 0.00 N ATOM 2 CA PRO A 1 -3.186 7.074 4.492 1.00 0.00 C ATOM 3 C PRO A 1 -3.693 5.657 4.767 1.00 0.00 C ATOM 4 O PRO A 1 -4.438 5.093 3.989 1.00 0.00 O ATOM 5 CB PRO A 1 -1.671 7.061 4.304 1.00 0.00 C ATOM 6 CG PRO A 1 -1.077 7.985 5.360 1.00 0.00 C ATOM 7 CD PRO A 1 -2.229 8.479 6.232 1.00 0.00 C ATOM 0 H2 PRO A 1 -4.023 7.432 6.364 1.00 0.00 H new ATOM 0 H3 PRO A 1 -4.103 8.727 5.362 1.00 0.00 H new ATOM 0 HA PRO A 1 -3.669 7.447 3.589 1.00 0.00 H new ATOM 0 HB2 PRO A 1 -1.279 6.050 4.413 1.00 0.00 H new ATOM 0 HB3 PRO A 1 -1.405 7.400 3.303 1.00 0.00 H new ATOM 0 HG2 PRO A 1 -0.339 7.455 5.962 1.00 0.00 H new ATOM 0 HG3 PRO A 1 -0.563 8.824 4.891 1.00 0.00 H new ATOM 0 HD2 PRO A 1 -2.104 8.134 7.258 1.00 0.00 H new ATOM 0 HD3 PRO A 1 -2.244 9.569 6.261 1.00 0.00 H new ATOM 17 N ILE A 2 -3.304 5.078 5.870 1.00 0.00 N ATOM 18 CA ILE A 2 -3.775 3.701 6.191 1.00 0.00 C ATOM 19 C ILE A 2 -5.283 3.737 6.441 1.00 0.00 C ATOM 20 O ILE A 2 -6.056 3.096 5.753 1.00 0.00 O ATOM 21 CB ILE A 2 -3.065 3.188 7.448 1.00 0.00 C ATOM 22 CG1 ILE A 2 -1.600 3.634 7.436 1.00 0.00 C ATOM 23 CG2 ILE A 2 -3.128 1.660 7.480 1.00 0.00 C ATOM 24 CD1 ILE A 2 -0.990 3.348 6.064 1.00 0.00 C ATOM 0 H ILE A 2 -2.682 5.498 6.561 1.00 0.00 H new ATOM 0 HA ILE A 2 -3.551 3.036 5.357 1.00 0.00 H new ATOM 0 HB ILE A 2 -3.559 3.595 8.330 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -1.531 4.698 7.661 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -1.042 3.107 8.210 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -2.623 1.294 8.374 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -4.170 1.339 7.494 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -2.636 1.257 6.595 1.00 0.00 H new ATOM 0 HD11 ILE A 2 0.053 3.666 6.056 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -1.045 2.279 5.857 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -1.542 3.895 5.299 1.00 0.00 H new ATOM 36 N SER A 3 -5.707 4.487 7.422 1.00 0.00 N ATOM 37 CA SER A 3 -7.164 4.570 7.719 1.00 0.00 C ATOM 38 C SER A 3 -7.918 4.985 6.456 1.00 0.00 C ATOM 39 O SER A 3 -9.070 4.648 6.274 1.00 0.00 O ATOM 40 CB SER A 3 -7.415 5.593 8.826 1.00 0.00 C ATOM 41 OG SER A 3 -6.207 6.276 9.128 1.00 0.00 O ATOM 0 H SER A 3 -5.107 5.045 8.030 1.00 0.00 H new ATOM 0 HA SER A 3 -7.518 3.594 8.051 1.00 0.00 H new ATOM 0 HB2 SER A 3 -8.178 6.305 8.511 1.00 0.00 H new ATOM 0 HB3 SER A 3 -7.794 5.093 9.717 1.00 0.00 H new ATOM 0 HG SER A 3 -5.668 5.732 9.740 1.00 0.00 H new ATOM 47 N GLN A 4 -7.278 5.704 5.574 1.00 0.00 N ATOM 48 CA GLN A 4 -7.969 6.115 4.319 1.00 0.00 C ATOM 49 C GLN A 4 -8.282 4.857 3.515 1.00 0.00 C ATOM 50 O GLN A 4 -9.427 4.565 3.201 1.00 0.00 O ATOM 51 CB GLN A 4 -7.055 7.032 3.502 1.00 0.00 C ATOM 52 CG GLN A 4 -7.333 8.492 3.867 1.00 0.00 C ATOM 53 CD GLN A 4 -6.700 9.409 2.819 1.00 0.00 C ATOM 54 OE1 GLN A 4 -5.722 10.077 3.091 1.00 0.00 O ATOM 55 NE2 GLN A 4 -7.217 9.468 1.622 1.00 0.00 N ATOM 0 H GLN A 4 -6.313 6.023 5.667 1.00 0.00 H new ATOM 0 HA GLN A 4 -8.887 6.653 4.554 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -6.011 6.790 3.699 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -7.223 6.875 2.437 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -8.408 8.667 3.917 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -6.927 8.715 4.854 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -8.038 8.908 1.393 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -6.800 10.074 0.916 1.00 0.00 H new ATOM 64 N VAL A 5 -7.272 4.090 3.198 1.00 0.00 N ATOM 65 CA VAL A 5 -7.518 2.839 2.444 1.00 0.00 C ATOM 66 C VAL A 5 -8.564 2.041 3.200 1.00 0.00 C ATOM 67 O VAL A 5 -9.644 1.817 2.718 1.00 0.00 O ATOM 68 CB VAL A 5 -6.229 2.012 2.347 1.00 0.00 C ATOM 69 CG1 VAL A 5 -6.412 0.868 1.349 1.00 0.00 C ATOM 70 CG2 VAL A 5 -5.059 2.891 1.901 1.00 0.00 C ATOM 0 H VAL A 5 -6.297 4.279 3.429 1.00 0.00 H new ATOM 0 HA VAL A 5 -7.857 3.074 1.435 1.00 0.00 H new ATOM 0 HB VAL A 5 -6.011 1.603 3.333 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -5.491 0.288 1.288 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -7.226 0.223 1.680 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -6.649 1.277 0.367 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -4.154 2.287 1.838 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -5.278 3.320 0.923 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -4.910 3.693 2.624 1.00 0.00 H new ATOM 80 N HIS A 6 -8.257 1.618 4.392 1.00 0.00 N ATOM 81 CA HIS A 6 -9.244 0.841 5.180 1.00 0.00 C ATOM 82 C HIS A 6 -10.641 1.435 4.986 1.00 0.00 C ATOM 83 O HIS A 6 -11.622 0.725 4.878 1.00 0.00 O ATOM 84 CB HIS A 6 -8.858 0.923 6.653 1.00 0.00 C ATOM 85 CG HIS A 6 -7.615 0.113 6.891 1.00 0.00 C ATOM 86 ND1 HIS A 6 -7.633 -1.271 6.948 1.00 0.00 N ATOM 87 CD2 HIS A 6 -6.306 0.479 7.082 1.00 0.00 C ATOM 88 CE1 HIS A 6 -6.372 -1.685 7.163 1.00 0.00 C ATOM 89 NE2 HIS A 6 -5.522 -0.659 7.255 1.00 0.00 N ATOM 0 H HIS A 6 -7.362 1.778 4.854 1.00 0.00 H new ATOM 0 HA HIS A 6 -9.250 -0.198 4.849 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -8.688 1.961 6.938 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -9.672 0.551 7.275 1.00 0.00 H new ATOM 0 HD1 HIS A 6 -8.454 -1.868 6.845 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -5.940 1.495 7.096 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -6.082 -2.722 7.251 1.00 0.00 H new ATOM 97 N GLU A 7 -10.732 2.736 4.933 1.00 0.00 N ATOM 98 CA GLU A 7 -12.060 3.388 4.752 1.00 0.00 C ATOM 99 C GLU A 7 -12.683 2.971 3.419 1.00 0.00 C ATOM 100 O GLU A 7 -13.744 2.380 3.382 1.00 0.00 O ATOM 101 CB GLU A 7 -11.886 4.909 4.776 1.00 0.00 C ATOM 102 CG GLU A 7 -12.378 5.456 6.117 1.00 0.00 C ATOM 103 CD GLU A 7 -12.330 6.985 6.095 1.00 0.00 C ATOM 104 OE1 GLU A 7 -11.293 7.521 5.740 1.00 0.00 O ATOM 105 OE2 GLU A 7 -13.332 7.595 6.431 1.00 0.00 O ATOM 0 H GLU A 7 -9.942 3.377 5.007 1.00 0.00 H new ATOM 0 HA GLU A 7 -12.719 3.076 5.562 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -10.838 5.168 4.628 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -12.446 5.363 3.958 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -13.396 5.117 6.308 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -11.757 5.074 6.927 1.00 0.00 H new ATOM 112 N ILE A 8 -12.051 3.287 2.322 1.00 0.00 N ATOM 113 CA ILE A 8 -12.637 2.920 1.001 1.00 0.00 C ATOM 114 C ILE A 8 -12.579 1.403 0.785 1.00 0.00 C ATOM 115 O ILE A 8 -13.562 0.779 0.443 1.00 0.00 O ATOM 116 CB ILE A 8 -11.859 3.626 -0.109 1.00 0.00 C ATOM 117 CG1 ILE A 8 -10.368 3.300 0.007 1.00 0.00 C ATOM 118 CG2 ILE A 8 -12.054 5.138 0.016 1.00 0.00 C ATOM 119 CD1 ILE A 8 -10.028 2.085 -0.866 1.00 0.00 C ATOM 0 H ILE A 8 -11.159 3.781 2.282 1.00 0.00 H new ATOM 0 HA ILE A 8 -13.681 3.232 0.980 1.00 0.00 H new ATOM 0 HB ILE A 8 -12.228 3.283 -1.076 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -9.774 4.159 -0.304 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -10.112 3.095 1.046 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -11.500 5.643 -0.775 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -13.114 5.377 -0.074 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -11.688 5.473 0.986 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -8.965 1.860 -0.778 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -10.610 1.225 -0.535 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -10.267 2.306 -1.906 1.00 0.00 H new ATOM 131 N GLY A 9 -11.435 0.812 0.962 1.00 0.00 N ATOM 132 CA GLY A 9 -11.297 -0.647 0.754 1.00 0.00 C ATOM 133 C GLY A 9 -12.445 -1.378 1.453 1.00 0.00 C ATOM 134 O GLY A 9 -13.091 -2.223 0.875 1.00 0.00 O ATOM 0 H GLY A 9 -10.578 1.287 1.246 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -11.304 -0.874 -0.312 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -10.341 -0.991 1.147 1.00 0.00 H new ATOM 138 N ILE A 10 -12.708 -1.077 2.696 1.00 0.00 N ATOM 139 CA ILE A 10 -13.819 -1.788 3.392 1.00 0.00 C ATOM 140 C ILE A 10 -15.169 -1.327 2.825 1.00 0.00 C ATOM 141 O ILE A 10 -16.041 -2.126 2.549 1.00 0.00 O ATOM 142 CB ILE A 10 -13.737 -1.511 4.906 1.00 0.00 C ATOM 143 CG1 ILE A 10 -13.173 -2.749 5.583 1.00 0.00 C ATOM 144 CG2 ILE A 10 -15.121 -1.204 5.500 1.00 0.00 C ATOM 145 CD1 ILE A 10 -14.076 -3.940 5.256 1.00 0.00 C ATOM 0 H ILE A 10 -12.211 -0.381 3.252 1.00 0.00 H new ATOM 0 HA ILE A 10 -13.728 -2.862 3.228 1.00 0.00 H new ATOM 0 HB ILE A 10 -13.100 -0.642 5.070 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -12.157 -2.939 5.238 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -13.120 -2.599 6.661 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -15.024 -1.014 6.569 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -15.540 -0.324 5.011 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -15.782 -2.056 5.341 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -13.683 -4.837 5.736 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -15.084 -3.744 5.622 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -14.105 -4.089 4.177 1.00 0.00 H new ATOM 157 N LYS A 11 -15.352 -0.049 2.671 1.00 0.00 N ATOM 158 CA LYS A 11 -16.648 0.461 2.145 1.00 0.00 C ATOM 159 C LYS A 11 -16.856 -0.013 0.706 1.00 0.00 C ATOM 160 O LYS A 11 -17.920 0.139 0.140 1.00 0.00 O ATOM 161 CB LYS A 11 -16.629 1.986 2.173 1.00 0.00 C ATOM 162 CG LYS A 11 -17.645 2.491 3.200 1.00 0.00 C ATOM 163 CD LYS A 11 -18.690 3.362 2.501 1.00 0.00 C ATOM 164 CE LYS A 11 -20.063 3.118 3.131 1.00 0.00 C ATOM 165 NZ LYS A 11 -20.916 4.325 2.946 1.00 0.00 N ATOM 0 H LYS A 11 -14.659 0.668 2.887 1.00 0.00 H new ATOM 0 HA LYS A 11 -17.461 0.083 2.765 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -15.631 2.343 2.427 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -16.867 2.381 1.186 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -18.130 1.648 3.692 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -17.139 3.065 3.976 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -18.420 4.414 2.589 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -18.720 3.129 1.437 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -20.537 2.251 2.671 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -19.954 2.896 4.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -21.849 4.159 3.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -20.465 5.142 3.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -21.030 4.517 1.930 1.00 0.00 H new ATOM 179 N ARG A 12 -15.848 -0.576 0.107 1.00 0.00 N ATOM 180 CA ARG A 12 -15.992 -1.048 -1.301 1.00 0.00 C ATOM 181 C ARG A 12 -15.671 -2.540 -1.383 1.00 0.00 C ATOM 182 O ARG A 12 -15.570 -3.103 -2.454 1.00 0.00 O ATOM 183 CB ARG A 12 -15.024 -0.272 -2.200 1.00 0.00 C ATOM 184 CG ARG A 12 -15.181 1.228 -1.947 1.00 0.00 C ATOM 185 CD ARG A 12 -16.413 1.747 -2.691 1.00 0.00 C ATOM 186 NE ARG A 12 -16.343 3.233 -2.802 1.00 0.00 N ATOM 187 CZ ARG A 12 -15.849 3.940 -1.822 1.00 0.00 C ATOM 188 NH1 ARG A 12 -16.470 3.988 -0.675 1.00 0.00 N ATOM 189 NH2 ARG A 12 -14.735 4.597 -1.987 1.00 0.00 N ATOM 0 H ARG A 12 -14.932 -0.731 0.527 1.00 0.00 H new ATOM 0 HA ARG A 12 -17.017 -0.880 -1.632 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -13.998 -0.580 -1.998 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -15.224 -0.497 -3.247 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -15.282 1.418 -0.878 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -14.290 1.759 -2.283 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -16.465 1.300 -3.684 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -17.320 1.454 -2.162 1.00 0.00 H new ATOM 0 HE ARG A 12 -16.682 3.697 -3.645 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -17.341 3.473 -0.545 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -16.084 4.540 0.091 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -14.248 4.559 -2.883 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -14.350 5.149 -1.220 1.00 0.00 H new ATOM 203 N ASN A 13 -15.502 -3.181 -0.259 1.00 0.00 N ATOM 204 CA ASN A 13 -15.178 -4.636 -0.261 1.00 0.00 C ATOM 205 C ASN A 13 -13.696 -4.832 -0.586 1.00 0.00 C ATOM 206 O ASN A 13 -13.174 -5.927 -0.499 1.00 0.00 O ATOM 207 CB ASN A 13 -16.029 -5.363 -1.306 1.00 0.00 C ATOM 208 CG ASN A 13 -15.992 -6.870 -1.034 1.00 0.00 C ATOM 209 OD1 ASN A 13 -15.421 -7.622 -1.799 1.00 0.00 O ATOM 210 ND2 ASN A 13 -16.580 -7.345 0.029 1.00 0.00 N ATOM 0 H ASN A 13 -15.575 -2.757 0.666 1.00 0.00 H new ATOM 0 HA ASN A 13 -15.394 -5.048 0.725 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -17.057 -5.001 -1.270 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -15.652 -5.154 -2.307 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -16.560 -8.347 0.218 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -17.059 -6.714 0.671 1.00 0.00 H new ATOM 217 N MET A 14 -13.004 -3.785 -0.959 1.00 0.00 N ATOM 218 CA MET A 14 -11.564 -3.931 -1.280 1.00 0.00 C ATOM 219 C MET A 14 -10.758 -3.994 0.018 1.00 0.00 C ATOM 220 O MET A 14 -10.290 -2.993 0.521 1.00 0.00 O ATOM 221 CB MET A 14 -11.122 -2.731 -2.118 1.00 0.00 C ATOM 222 CG MET A 14 -11.396 -3.028 -3.593 1.00 0.00 C ATOM 223 SD MET A 14 -10.442 -1.898 -4.629 1.00 0.00 S ATOM 224 CE MET A 14 -9.247 -3.115 -5.225 1.00 0.00 C ATOM 0 H MET A 14 -13.378 -2.841 -1.053 1.00 0.00 H new ATOM 0 HA MET A 14 -11.395 -4.849 -1.844 1.00 0.00 H new ATOM 0 HB2 MET A 14 -11.661 -1.836 -1.808 1.00 0.00 H new ATOM 0 HB3 MET A 14 -10.061 -2.534 -1.964 1.00 0.00 H new ATOM 0 HG2 MET A 14 -11.129 -4.060 -3.822 1.00 0.00 H new ATOM 0 HG3 MET A 14 -12.460 -2.920 -3.804 1.00 0.00 H new ATOM 0 HE1 MET A 14 -8.249 -2.676 -5.223 1.00 0.00 H new ATOM 0 HE2 MET A 14 -9.261 -3.988 -4.572 1.00 0.00 H new ATOM 0 HE3 MET A 14 -9.509 -3.416 -6.239 1.00 0.00 H new ATOM 234 N THR A 15 -10.599 -5.172 0.562 1.00 0.00 N ATOM 235 CA THR A 15 -9.826 -5.328 1.829 1.00 0.00 C ATOM 236 C THR A 15 -8.594 -4.422 1.802 1.00 0.00 C ATOM 237 O THR A 15 -8.193 -3.930 0.768 1.00 0.00 O ATOM 238 CB THR A 15 -9.385 -6.794 1.988 1.00 0.00 C ATOM 239 OG1 THR A 15 -9.893 -7.558 0.904 1.00 0.00 O ATOM 240 CG2 THR A 15 -9.943 -7.341 3.302 1.00 0.00 C ATOM 0 H THR A 15 -10.975 -6.040 0.179 1.00 0.00 H new ATOM 0 HA THR A 15 -10.459 -5.046 2.671 1.00 0.00 H new ATOM 0 HB THR A 15 -8.297 -6.855 1.996 1.00 0.00 H new ATOM 0 HG1 THR A 15 -9.612 -8.492 1.002 1.00 0.00 H new ATOM 0 HG21 THR A 15 -9.636 -8.380 3.423 1.00 0.00 H new ATOM 0 HG22 THR A 15 -9.560 -6.750 4.134 1.00 0.00 H new ATOM 0 HG23 THR A 15 -11.031 -7.284 3.287 1.00 0.00 H new ATOM 248 N VAL A 16 -7.993 -4.204 2.936 1.00 0.00 N ATOM 249 CA VAL A 16 -6.783 -3.338 2.990 1.00 0.00 C ATOM 250 C VAL A 16 -5.761 -3.993 3.907 1.00 0.00 C ATOM 251 O VAL A 16 -5.611 -3.610 5.050 1.00 0.00 O ATOM 252 CB VAL A 16 -7.148 -1.964 3.554 1.00 0.00 C ATOM 253 CG1 VAL A 16 -5.865 -1.198 3.907 1.00 0.00 C ATOM 254 CG2 VAL A 16 -7.940 -1.184 2.506 1.00 0.00 C ATOM 0 H VAL A 16 -8.289 -4.590 3.833 1.00 0.00 H new ATOM 0 HA VAL A 16 -6.376 -3.216 1.986 1.00 0.00 H new ATOM 0 HB VAL A 16 -7.753 -2.085 4.452 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -6.125 -0.219 4.309 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -5.300 -1.758 4.652 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -5.258 -1.073 3.011 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -8.203 -0.204 2.904 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -7.333 -1.061 1.609 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -8.850 -1.730 2.257 1.00 0.00 H new ATOM 264 N HIS A 17 -5.056 -4.977 3.432 1.00 0.00 N ATOM 265 CA HIS A 17 -4.055 -5.633 4.329 1.00 0.00 C ATOM 266 C HIS A 17 -2.649 -5.113 4.012 1.00 0.00 C ATOM 267 O HIS A 17 -1.979 -5.597 3.124 1.00 0.00 O ATOM 268 CB HIS A 17 -4.117 -7.154 4.163 1.00 0.00 C ATOM 269 CG HIS A 17 -5.431 -7.653 4.709 1.00 0.00 C ATOM 270 ND1 HIS A 17 -5.966 -7.162 5.890 1.00 0.00 N ATOM 271 CD2 HIS A 17 -6.338 -8.581 4.246 1.00 0.00 C ATOM 272 CE1 HIS A 17 -7.139 -7.787 6.096 1.00 0.00 C ATOM 273 NE2 HIS A 17 -7.413 -8.661 5.125 1.00 0.00 N ATOM 0 H HIS A 17 -5.122 -5.353 2.486 1.00 0.00 H new ATOM 0 HA HIS A 17 -4.290 -5.389 5.365 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -4.020 -7.422 3.111 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -3.287 -7.625 4.690 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -6.231 -9.158 3.339 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -7.782 -7.604 6.945 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -8.235 -9.260 5.045 1.00 0.00 H new ATOM 281 N PHE A 18 -2.196 -4.128 4.745 1.00 0.00 N ATOM 282 CA PHE A 18 -0.839 -3.558 4.494 1.00 0.00 C ATOM 283 C PHE A 18 0.226 -4.503 5.047 1.00 0.00 C ATOM 284 O PHE A 18 0.195 -4.890 6.198 1.00 0.00 O ATOM 285 CB PHE A 18 -0.696 -2.224 5.233 1.00 0.00 C ATOM 286 CG PHE A 18 -1.340 -1.093 4.464 1.00 0.00 C ATOM 287 CD1 PHE A 18 -2.547 -1.288 3.782 1.00 0.00 C ATOM 288 CD2 PHE A 18 -0.732 0.168 4.461 1.00 0.00 C ATOM 289 CE1 PHE A 18 -3.140 -0.219 3.099 1.00 0.00 C ATOM 290 CE2 PHE A 18 -1.330 1.232 3.778 1.00 0.00 C ATOM 291 CZ PHE A 18 -2.538 1.037 3.100 1.00 0.00 C ATOM 0 H PHE A 18 -2.711 -3.692 5.510 1.00 0.00 H new ATOM 0 HA PHE A 18 -0.714 -3.421 3.420 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -1.154 -2.302 6.219 1.00 0.00 H new ATOM 0 HB3 PHE A 18 0.360 -2.004 5.389 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -3.019 -2.259 3.783 1.00 0.00 H new ATOM 0 HD2 PHE A 18 0.199 0.319 4.986 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -4.069 -0.369 2.569 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -0.859 2.204 3.774 1.00 0.00 H new ATOM 0 HZ PHE A 18 -3.003 1.860 2.578 1.00 0.00 H new ATOM 301 N LYS A 19 1.183 -4.861 4.238 1.00 0.00 N ATOM 302 CA LYS A 19 2.267 -5.758 4.712 1.00 0.00 C ATOM 303 C LYS A 19 3.546 -5.388 3.966 1.00 0.00 C ATOM 304 O LYS A 19 3.658 -5.599 2.779 1.00 0.00 O ATOM 305 CB LYS A 19 1.898 -7.215 4.416 1.00 0.00 C ATOM 306 CG LYS A 19 2.464 -8.118 5.513 1.00 0.00 C ATOM 307 CD LYS A 19 3.180 -9.310 4.875 1.00 0.00 C ATOM 308 CE LYS A 19 2.560 -10.612 5.383 1.00 0.00 C ATOM 309 NZ LYS A 19 1.090 -10.593 5.136 1.00 0.00 N ATOM 0 H LYS A 19 1.259 -4.568 3.264 1.00 0.00 H new ATOM 0 HA LYS A 19 2.410 -5.646 5.787 1.00 0.00 H new ATOM 0 HB2 LYS A 19 0.815 -7.323 4.364 1.00 0.00 H new ATOM 0 HB3 LYS A 19 2.295 -7.512 3.445 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.157 -7.556 6.139 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.661 -8.467 6.161 1.00 0.00 H new ATOM 0 HD2 LYS A 19 3.100 -9.257 3.789 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.242 -9.282 5.118 1.00 0.00 H new ATOM 0 HE2 LYS A 19 3.013 -11.465 4.877 1.00 0.00 H new ATOM 0 HE3 LYS A 19 2.759 -10.731 6.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 0.773 -11.543 4.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 0.596 -10.306 6.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 0.874 -9.917 4.375 1.00 0.00 H new ATOM 323 N VAL A 20 4.510 -4.828 4.642 1.00 0.00 N ATOM 324 CA VAL A 20 5.759 -4.439 3.937 1.00 0.00 C ATOM 325 C VAL A 20 6.589 -5.688 3.681 1.00 0.00 C ATOM 326 O VAL A 20 6.999 -6.389 4.584 1.00 0.00 O ATOM 327 CB VAL A 20 6.533 -3.427 4.778 1.00 0.00 C ATOM 328 CG1 VAL A 20 7.919 -3.211 4.168 1.00 0.00 C ATOM 329 CG2 VAL A 20 5.765 -2.099 4.783 1.00 0.00 C ATOM 0 H VAL A 20 4.487 -4.625 5.641 1.00 0.00 H new ATOM 0 HA VAL A 20 5.523 -3.971 2.981 1.00 0.00 H new ATOM 0 HB VAL A 20 6.642 -3.797 5.797 1.00 0.00 H new ATOM 0 HG11 VAL A 20 8.472 -2.488 4.768 1.00 0.00 H new ATOM 0 HG12 VAL A 20 8.460 -4.157 4.150 1.00 0.00 H new ATOM 0 HG13 VAL A 20 7.814 -2.833 3.151 1.00 0.00 H new ATOM 0 HG21 VAL A 20 6.308 -1.367 5.381 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.666 -1.732 3.761 1.00 0.00 H new ATOM 0 HG23 VAL A 20 4.774 -2.253 5.210 1.00 0.00 H new ATOM 339 N LEU A 21 6.794 -5.979 2.430 1.00 0.00 N ATOM 340 CA LEU A 21 7.549 -7.198 2.040 1.00 0.00 C ATOM 341 C LEU A 21 9.026 -6.859 1.857 1.00 0.00 C ATOM 342 O LEU A 21 9.883 -7.717 1.938 1.00 0.00 O ATOM 343 CB LEU A 21 6.991 -7.739 0.713 1.00 0.00 C ATOM 344 CG LEU A 21 5.548 -7.266 0.499 1.00 0.00 C ATOM 345 CD1 LEU A 21 4.997 -7.889 -0.786 1.00 0.00 C ATOM 346 CD2 LEU A 21 4.679 -7.704 1.682 1.00 0.00 C ATOM 0 H LEU A 21 6.464 -5.414 1.648 1.00 0.00 H new ATOM 0 HA LEU A 21 7.444 -7.949 2.823 1.00 0.00 H new ATOM 0 HB2 LEU A 21 7.616 -7.402 -0.114 1.00 0.00 H new ATOM 0 HB3 LEU A 21 7.025 -8.828 0.715 1.00 0.00 H new ATOM 0 HG LEU A 21 5.533 -6.179 0.420 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.971 -7.555 -0.941 1.00 0.00 H new ATOM 0 HD12 LEU A 21 5.611 -7.581 -1.632 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.016 -8.975 -0.701 1.00 0.00 H new ATOM 0 HD21 LEU A 21 3.655 -7.366 1.526 1.00 0.00 H new ATOM 0 HD22 LEU A 21 4.694 -8.791 1.762 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.069 -7.267 2.601 1.00 0.00 H new ATOM 358 N ARG A 22 9.337 -5.621 1.598 1.00 0.00 N ATOM 359 CA ARG A 22 10.767 -5.253 1.396 1.00 0.00 C ATOM 360 C ARG A 22 11.077 -3.928 2.094 1.00 0.00 C ATOM 361 O ARG A 22 10.222 -3.079 2.253 1.00 0.00 O ATOM 362 CB ARG A 22 11.042 -5.121 -0.102 1.00 0.00 C ATOM 363 CG ARG A 22 11.890 -6.305 -0.573 1.00 0.00 C ATOM 364 CD ARG A 22 12.329 -6.074 -2.022 1.00 0.00 C ATOM 365 NE ARG A 22 12.573 -7.387 -2.686 1.00 0.00 N ATOM 366 CZ ARG A 22 13.099 -8.376 -2.012 1.00 0.00 C ATOM 367 NH1 ARG A 22 12.332 -9.172 -1.319 1.00 0.00 N ATOM 368 NH2 ARG A 22 14.389 -8.567 -2.033 1.00 0.00 N ATOM 0 H ARG A 22 8.671 -4.853 1.518 1.00 0.00 H new ATOM 0 HA ARG A 22 11.402 -6.030 1.823 1.00 0.00 H new ATOM 0 HB2 ARG A 22 10.102 -5.091 -0.654 1.00 0.00 H new ATOM 0 HB3 ARG A 22 11.561 -4.185 -0.306 1.00 0.00 H new ATOM 0 HG2 ARG A 22 12.763 -6.419 0.069 1.00 0.00 H new ATOM 0 HG3 ARG A 22 11.317 -7.229 -0.498 1.00 0.00 H new ATOM 0 HD2 ARG A 22 11.561 -5.519 -2.561 1.00 0.00 H new ATOM 0 HD3 ARG A 22 13.235 -5.469 -2.046 1.00 0.00 H new ATOM 0 HE ARG A 22 12.329 -7.514 -3.668 1.00 0.00 H new ATOM 0 HH11 ARG A 22 11.323 -9.022 -1.304 1.00 0.00 H new ATOM 0 HH12 ARG A 22 12.741 -9.944 -0.793 1.00 0.00 H new ATOM 0 HH21 ARG A 22 14.988 -7.945 -2.575 1.00 0.00 H new ATOM 0 HH22 ARG A 22 14.799 -9.339 -1.507 1.00 0.00 H new ATOM 499 N ASN A 31 13.774 1.758 -0.945 1.00 0.00 N ATOM 500 CA ASN A 31 12.333 1.702 -1.316 1.00 0.00 C ATOM 501 C ASN A 31 11.658 0.567 -0.552 1.00 0.00 C ATOM 502 O ASN A 31 12.248 -0.467 -0.304 1.00 0.00 O ATOM 503 CB ASN A 31 12.183 1.454 -2.816 1.00 0.00 C ATOM 504 CG ASN A 31 12.895 2.562 -3.593 1.00 0.00 C ATOM 505 OD1 ASN A 31 12.834 3.717 -3.219 1.00 0.00 O ATOM 506 ND2 ASN A 31 13.572 2.258 -4.668 1.00 0.00 N ATOM 0 HA ASN A 31 11.865 2.653 -1.062 1.00 0.00 H new ATOM 0 HB2 ASN A 31 12.604 0.484 -3.078 1.00 0.00 H new ATOM 0 HB3 ASN A 31 11.127 1.427 -3.087 1.00 0.00 H new ATOM 0 HD21 ASN A 31 14.050 2.990 -5.194 1.00 0.00 H new ATOM 0 HD22 ASN A 31 13.623 1.289 -4.982 1.00 0.00 H new ATOM 513 N PHE A 32 10.425 0.749 -0.181 1.00 0.00 N ATOM 514 CA PHE A 32 9.708 -0.319 0.565 1.00 0.00 C ATOM 515 C PHE A 32 8.500 -0.773 -0.253 1.00 0.00 C ATOM 516 O PHE A 32 7.620 0.011 -0.557 1.00 0.00 O ATOM 517 CB PHE A 32 9.226 0.230 1.910 1.00 0.00 C ATOM 518 CG PHE A 32 10.409 0.489 2.815 1.00 0.00 C ATOM 519 CD1 PHE A 32 11.425 1.365 2.413 1.00 0.00 C ATOM 520 CD2 PHE A 32 10.486 -0.146 4.061 1.00 0.00 C ATOM 521 CE1 PHE A 32 12.517 1.606 3.256 1.00 0.00 C ATOM 522 CE2 PHE A 32 11.577 0.096 4.904 1.00 0.00 C ATOM 523 CZ PHE A 32 12.593 0.971 4.502 1.00 0.00 C ATOM 0 H PHE A 32 9.881 1.593 -0.362 1.00 0.00 H new ATOM 0 HA PHE A 32 10.380 -1.160 0.736 1.00 0.00 H new ATOM 0 HB2 PHE A 32 8.666 1.152 1.756 1.00 0.00 H new ATOM 0 HB3 PHE A 32 8.546 -0.481 2.380 1.00 0.00 H new ATOM 0 HD1 PHE A 32 11.366 1.855 1.452 1.00 0.00 H new ATOM 0 HD2 PHE A 32 9.703 -0.823 4.371 1.00 0.00 H new ATOM 0 HE1 PHE A 32 13.300 2.281 2.945 1.00 0.00 H new ATOM 0 HE2 PHE A 32 11.635 -0.393 5.865 1.00 0.00 H new ATOM 0 HZ PHE A 32 13.435 1.156 5.152 1.00 0.00 H new ATOM 533 N ILE A 33 8.435 -2.032 -0.596 1.00 0.00 N ATOM 534 CA ILE A 33 7.268 -2.521 -1.373 1.00 0.00 C ATOM 535 C ILE A 33 6.205 -2.950 -0.379 1.00 0.00 C ATOM 536 O ILE A 33 6.182 -4.076 0.080 1.00 0.00 O ATOM 537 CB ILE A 33 7.663 -3.717 -2.239 1.00 0.00 C ATOM 538 CG1 ILE A 33 9.143 -3.619 -2.618 1.00 0.00 C ATOM 539 CG2 ILE A 33 6.811 -3.726 -3.509 1.00 0.00 C ATOM 540 CD1 ILE A 33 9.409 -2.280 -3.302 1.00 0.00 C ATOM 0 H ILE A 33 9.137 -2.737 -0.371 1.00 0.00 H new ATOM 0 HA ILE A 33 6.900 -1.732 -2.029 1.00 0.00 H new ATOM 0 HB ILE A 33 7.497 -4.637 -1.679 1.00 0.00 H new ATOM 0 HG12 ILE A 33 9.764 -3.713 -1.727 1.00 0.00 H new ATOM 0 HG13 ILE A 33 9.413 -4.439 -3.283 1.00 0.00 H new ATOM 0 HG21 ILE A 33 7.091 -4.578 -4.129 1.00 0.00 H new ATOM 0 HG22 ILE A 33 5.758 -3.803 -3.240 1.00 0.00 H new ATOM 0 HG23 ILE A 33 6.977 -2.803 -4.065 1.00 0.00 H new ATOM 0 HD11 ILE A 33 10.463 -2.212 -3.571 1.00 0.00 H new ATOM 0 HD12 ILE A 33 8.799 -2.204 -4.202 1.00 0.00 H new ATOM 0 HD13 ILE A 33 9.155 -1.467 -2.622 1.00 0.00 H new ATOM 552 N THR A 34 5.337 -2.057 -0.021 1.00 0.00 N ATOM 553 CA THR A 34 4.294 -2.409 0.969 1.00 0.00 C ATOM 554 C THR A 34 3.073 -2.973 0.256 1.00 0.00 C ATOM 555 O THR A 34 2.349 -2.275 -0.426 1.00 0.00 O ATOM 556 CB THR A 34 3.914 -1.166 1.774 1.00 0.00 C ATOM 557 OG1 THR A 34 4.972 -0.846 2.667 1.00 0.00 O ATOM 558 CG2 THR A 34 2.635 -1.440 2.570 1.00 0.00 C ATOM 0 H THR A 34 5.304 -1.099 -0.370 1.00 0.00 H new ATOM 0 HA THR A 34 4.680 -3.168 1.650 1.00 0.00 H new ATOM 0 HB THR A 34 3.742 -0.330 1.096 1.00 0.00 H new ATOM 0 HG1 THR A 34 5.807 -1.243 2.341 1.00 0.00 H new ATOM 0 HG21 THR A 34 2.366 -0.553 3.143 1.00 0.00 H new ATOM 0 HG22 THR A 34 1.825 -1.688 1.884 1.00 0.00 H new ATOM 0 HG23 THR A 34 2.802 -2.275 3.251 1.00 0.00 H new ATOM 566 N ALA A 35 2.864 -4.251 0.399 1.00 0.00 N ATOM 567 CA ALA A 35 1.710 -4.913 -0.261 1.00 0.00 C ATOM 568 C ALA A 35 0.424 -4.680 0.527 1.00 0.00 C ATOM 569 O ALA A 35 0.264 -5.172 1.625 1.00 0.00 O ATOM 570 CB ALA A 35 1.975 -6.410 -0.316 1.00 0.00 C ATOM 0 H ALA A 35 3.453 -4.872 0.953 1.00 0.00 H new ATOM 0 HA ALA A 35 1.593 -4.496 -1.261 1.00 0.00 H new ATOM 0 HB1 ALA A 35 1.136 -6.911 -0.798 1.00 0.00 H new ATOM 0 HB2 ALA A 35 2.885 -6.598 -0.885 1.00 0.00 H new ATOM 0 HB3 ALA A 35 2.094 -6.796 0.696 1.00 0.00 H new ATOM 576 N CYS A 36 -0.525 -3.992 -0.046 1.00 0.00 N ATOM 577 CA CYS A 36 -1.816 -3.811 0.669 1.00 0.00 C ATOM 578 C CYS A 36 -2.829 -4.675 -0.065 1.00 0.00 C ATOM 579 O CYS A 36 -3.037 -4.524 -1.247 1.00 0.00 O ATOM 580 CB CYS A 36 -2.272 -2.345 0.676 1.00 0.00 C ATOM 581 SG CYS A 36 -4.021 -2.285 1.142 1.00 0.00 S ATOM 0 H CYS A 36 -0.463 -3.554 -0.965 1.00 0.00 H new ATOM 0 HA CYS A 36 -1.712 -4.100 1.715 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -1.673 -1.766 1.379 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -2.127 -1.899 -0.308 1.00 0.00 H new ATOM 0 HG CYS A 36 -4.627 -1.376 0.438 1.00 0.00 H new ATOM 587 N ILE A 37 -3.438 -5.601 0.605 1.00 0.00 N ATOM 588 CA ILE A 37 -4.390 -6.488 -0.095 1.00 0.00 C ATOM 589 C ILE A 37 -5.700 -5.762 -0.353 1.00 0.00 C ATOM 590 O ILE A 37 -6.299 -5.207 0.555 1.00 0.00 O ATOM 591 CB ILE A 37 -4.634 -7.750 0.756 1.00 0.00 C ATOM 592 CG1 ILE A 37 -4.784 -8.957 -0.159 1.00 0.00 C ATOM 593 CG2 ILE A 37 -5.914 -7.631 1.605 1.00 0.00 C ATOM 594 CD1 ILE A 37 -6.146 -8.898 -0.838 1.00 0.00 C ATOM 0 H ILE A 37 -3.319 -5.781 1.602 1.00 0.00 H new ATOM 0 HA ILE A 37 -3.968 -6.779 -1.057 1.00 0.00 H new ATOM 0 HB ILE A 37 -3.780 -7.864 1.423 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -3.991 -8.964 -0.906 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -4.689 -9.879 0.415 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -6.049 -8.541 2.189 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -5.827 -6.778 2.277 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -6.773 -7.490 0.950 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -6.262 -9.759 -1.496 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -6.931 -8.911 -0.081 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -6.221 -7.982 -1.423 1.00 0.00 H new ATOM 606 N VAL A 38 -6.135 -5.805 -1.590 1.00 0.00 N ATOM 607 CA VAL A 38 -7.421 -5.179 -2.000 1.00 0.00 C ATOM 608 C VAL A 38 -8.361 -6.280 -2.489 1.00 0.00 C ATOM 609 O VAL A 38 -8.221 -6.768 -3.591 1.00 0.00 O ATOM 610 CB VAL A 38 -7.216 -4.198 -3.156 1.00 0.00 C ATOM 611 CG1 VAL A 38 -7.597 -2.796 -2.692 1.00 0.00 C ATOM 612 CG2 VAL A 38 -5.761 -4.218 -3.640 1.00 0.00 C ATOM 0 H VAL A 38 -5.633 -6.263 -2.350 1.00 0.00 H new ATOM 0 HA VAL A 38 -7.831 -4.644 -1.144 1.00 0.00 H new ATOM 0 HB VAL A 38 -7.850 -4.495 -3.991 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -7.454 -2.090 -3.510 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -8.642 -2.786 -2.383 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -6.968 -2.508 -1.850 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -5.641 -3.512 -4.462 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -5.101 -3.935 -2.820 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.505 -5.221 -3.983 1.00 0.00 H new ATOM 622 N GLY A 39 -9.306 -6.651 -1.665 1.00 0.00 N ATOM 623 CA GLY A 39 -10.312 -7.717 -2.000 1.00 0.00 C ATOM 624 C GLY A 39 -10.005 -8.418 -3.326 1.00 0.00 C ATOM 625 O GLY A 39 -9.578 -9.555 -3.352 1.00 0.00 O ATOM 0 H GLY A 39 -9.430 -6.246 -0.737 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -10.334 -8.456 -1.199 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -11.306 -7.271 -2.050 1.00 0.00 H new ATOM 629 N SER A 40 -10.233 -7.751 -4.426 1.00 0.00 N ATOM 630 CA SER A 40 -9.968 -8.381 -5.751 1.00 0.00 C ATOM 631 C SER A 40 -8.650 -9.156 -5.705 1.00 0.00 C ATOM 632 O SER A 40 -8.622 -10.364 -5.814 1.00 0.00 O ATOM 633 CB SER A 40 -9.879 -7.293 -6.821 1.00 0.00 C ATOM 634 OG SER A 40 -11.181 -6.790 -7.090 1.00 0.00 O ATOM 0 H SER A 40 -10.591 -6.797 -4.464 1.00 0.00 H new ATOM 0 HA SER A 40 -10.780 -9.068 -5.990 1.00 0.00 H new ATOM 0 HB2 SER A 40 -9.228 -6.487 -6.483 1.00 0.00 H new ATOM 0 HB3 SER A 40 -9.438 -7.698 -7.732 1.00 0.00 H new ATOM 0 HG SER A 40 -11.127 -6.091 -7.775 1.00 0.00 H new ATOM 640 N ILE A 41 -7.561 -8.462 -5.541 1.00 0.00 N ATOM 641 CA ILE A 41 -6.232 -9.139 -5.482 1.00 0.00 C ATOM 642 C ILE A 41 -5.333 -8.337 -4.541 1.00 0.00 C ATOM 643 O ILE A 41 -5.777 -7.866 -3.515 1.00 0.00 O ATOM 644 CB ILE A 41 -5.602 -9.188 -6.880 1.00 0.00 C ATOM 645 CG1 ILE A 41 -6.693 -9.293 -7.951 1.00 0.00 C ATOM 646 CG2 ILE A 41 -4.684 -10.408 -6.979 1.00 0.00 C ATOM 647 CD1 ILE A 41 -7.185 -7.892 -8.324 1.00 0.00 C ATOM 0 H ILE A 41 -7.531 -7.447 -5.444 1.00 0.00 H new ATOM 0 HA ILE A 41 -6.349 -10.161 -5.120 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.030 -8.275 -7.042 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -6.302 -9.799 -8.834 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -7.523 -9.894 -7.581 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.235 -10.446 -7.971 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.898 -10.334 -6.227 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -5.264 -11.315 -6.809 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -7.961 -7.970 -9.086 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -7.593 -7.402 -7.440 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -6.352 -7.305 -8.712 1.00 0.00 H new ATOM 659 N VAL A 42 -4.082 -8.156 -4.874 1.00 0.00 N ATOM 660 CA VAL A 42 -3.199 -7.356 -3.976 1.00 0.00 C ATOM 661 C VAL A 42 -2.794 -6.067 -4.678 1.00 0.00 C ATOM 662 O VAL A 42 -2.872 -5.940 -5.883 1.00 0.00 O ATOM 663 CB VAL A 42 -1.919 -8.118 -3.613 1.00 0.00 C ATOM 664 CG1 VAL A 42 -1.668 -8.001 -2.111 1.00 0.00 C ATOM 665 CG2 VAL A 42 -2.050 -9.594 -4.001 1.00 0.00 C ATOM 0 H VAL A 42 -3.638 -8.522 -5.717 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.760 -7.150 -3.065 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.081 -7.686 -4.160 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.758 -8.542 -1.851 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -1.555 -6.951 -1.842 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -2.511 -8.426 -1.567 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -1.134 -10.122 -3.737 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.891 -10.037 -3.467 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -2.219 -9.674 -5.075 1.00 0.00 H new ATOM 675 N THR A 43 -2.343 -5.122 -3.917 1.00 0.00 N ATOM 676 CA THR A 43 -1.897 -3.828 -4.496 1.00 0.00 C ATOM 677 C THR A 43 -0.803 -3.254 -3.598 1.00 0.00 C ATOM 678 O THR A 43 -1.073 -2.569 -2.630 1.00 0.00 O ATOM 679 CB THR A 43 -3.078 -2.858 -4.565 1.00 0.00 C ATOM 680 OG1 THR A 43 -3.991 -3.297 -5.561 1.00 0.00 O ATOM 681 CG2 THR A 43 -2.576 -1.456 -4.912 1.00 0.00 C ATOM 0 H THR A 43 -2.262 -5.188 -2.902 1.00 0.00 H new ATOM 0 HA THR A 43 -1.512 -3.979 -5.505 1.00 0.00 H new ATOM 0 HB THR A 43 -3.579 -2.829 -3.598 1.00 0.00 H new ATOM 0 HG1 THR A 43 -4.092 -2.600 -6.242 1.00 0.00 H new ATOM 0 HG21 THR A 43 -3.421 -0.769 -4.960 1.00 0.00 H new ATOM 0 HG22 THR A 43 -1.878 -1.120 -4.146 1.00 0.00 H new ATOM 0 HG23 THR A 43 -2.071 -1.479 -5.878 1.00 0.00 H new ATOM 689 N GLU A 44 0.432 -3.552 -3.890 1.00 0.00 N ATOM 690 CA GLU A 44 1.533 -3.038 -3.032 1.00 0.00 C ATOM 691 C GLU A 44 1.956 -1.646 -3.477 1.00 0.00 C ATOM 692 O GLU A 44 1.385 -1.061 -4.376 1.00 0.00 O ATOM 693 CB GLU A 44 2.744 -3.969 -3.122 1.00 0.00 C ATOM 694 CG GLU A 44 3.299 -3.951 -4.548 1.00 0.00 C ATOM 695 CD GLU A 44 3.262 -5.368 -5.126 1.00 0.00 C ATOM 696 OE1 GLU A 44 2.176 -5.906 -5.252 1.00 0.00 O ATOM 697 OE2 GLU A 44 4.322 -5.888 -5.433 1.00 0.00 O ATOM 0 H GLU A 44 0.725 -4.126 -4.681 1.00 0.00 H new ATOM 0 HA GLU A 44 1.169 -2.995 -2.006 1.00 0.00 H new ATOM 0 HB2 GLU A 44 3.513 -3.652 -2.418 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.457 -4.983 -2.845 1.00 0.00 H new ATOM 0 HG2 GLU A 44 2.711 -3.277 -5.171 1.00 0.00 H new ATOM 0 HG3 GLU A 44 4.321 -3.573 -4.547 1.00 0.00 H new ATOM 704 N GLY A 45 2.964 -1.117 -2.844 1.00 0.00 N ATOM 705 CA GLY A 45 3.449 0.242 -3.217 1.00 0.00 C ATOM 706 C GLY A 45 4.920 0.379 -2.827 1.00 0.00 C ATOM 707 O GLY A 45 5.258 0.452 -1.664 1.00 0.00 O ATOM 0 H GLY A 45 3.474 -1.566 -2.084 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.329 0.402 -4.288 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.855 1.004 -2.712 1.00 0.00 H new ATOM 711 N GLU A 46 5.797 0.411 -3.790 1.00 0.00 N ATOM 712 CA GLU A 46 7.242 0.538 -3.474 1.00 0.00 C ATOM 713 C GLU A 46 7.570 1.995 -3.158 1.00 0.00 C ATOM 714 O GLU A 46 8.066 2.728 -3.989 1.00 0.00 O ATOM 715 CB GLU A 46 8.057 0.068 -4.673 1.00 0.00 C ATOM 716 CG GLU A 46 7.471 0.654 -5.960 1.00 0.00 C ATOM 717 CD GLU A 46 6.850 -0.468 -6.796 1.00 0.00 C ATOM 718 OE1 GLU A 46 6.698 -1.557 -6.269 1.00 0.00 O ATOM 719 OE2 GLU A 46 6.537 -0.217 -7.948 1.00 0.00 O ATOM 0 H GLU A 46 5.573 0.354 -4.784 1.00 0.00 H new ATOM 0 HA GLU A 46 7.487 -0.075 -2.607 1.00 0.00 H new ATOM 0 HB2 GLU A 46 9.096 0.378 -4.562 1.00 0.00 H new ATOM 0 HB3 GLU A 46 8.052 -1.021 -4.723 1.00 0.00 H new ATOM 0 HG2 GLU A 46 6.717 1.403 -5.720 1.00 0.00 H new ATOM 0 HG3 GLU A 46 8.251 1.158 -6.531 1.00 0.00 H new ATOM 726 N GLY A 47 7.287 2.419 -1.957 1.00 0.00 N ATOM 727 CA GLY A 47 7.571 3.831 -1.573 1.00 0.00 C ATOM 728 C GLY A 47 9.081 4.087 -1.604 1.00 0.00 C ATOM 729 O GLY A 47 9.873 3.172 -1.714 1.00 0.00 O ATOM 0 H GLY A 47 6.870 1.847 -1.223 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.064 4.512 -2.257 1.00 0.00 H new ATOM 0 HA3 GLY A 47 7.180 4.031 -0.575 1.00 0.00 H new ATOM 798 N VAL A 52 7.788 6.073 4.430 1.00 0.00 N ATOM 799 CA VAL A 52 6.714 6.174 3.405 1.00 0.00 C ATOM 800 C VAL A 52 6.085 4.796 3.166 1.00 0.00 C ATOM 801 O VAL A 52 4.880 4.667 3.128 1.00 0.00 O ATOM 802 CB VAL A 52 7.322 6.719 2.102 1.00 0.00 C ATOM 803 CG1 VAL A 52 7.876 5.575 1.248 1.00 0.00 C ATOM 804 CG2 VAL A 52 6.243 7.468 1.316 1.00 0.00 C ATOM 0 HA VAL A 52 5.933 6.850 3.752 1.00 0.00 H new ATOM 0 HB VAL A 52 8.139 7.396 2.350 1.00 0.00 H new ATOM 0 HG11 VAL A 52 8.302 5.980 0.330 1.00 0.00 H new ATOM 0 HG12 VAL A 52 8.650 5.047 1.805 1.00 0.00 H new ATOM 0 HG13 VAL A 52 7.071 4.883 1.000 1.00 0.00 H new ATOM 0 HG21 VAL A 52 6.670 7.856 0.391 1.00 0.00 H new ATOM 0 HG22 VAL A 52 5.426 6.787 1.080 1.00 0.00 H new ATOM 0 HG23 VAL A 52 5.864 8.295 1.916 1.00 0.00 H new ATOM 814 N SER A 53 6.909 3.786 2.993 1.00 0.00 N ATOM 815 CA SER A 53 6.421 2.386 2.736 1.00 0.00 C ATOM 816 C SER A 53 4.932 2.238 3.062 1.00 0.00 C ATOM 817 O SER A 53 4.140 1.843 2.230 1.00 0.00 O ATOM 818 CB SER A 53 7.223 1.408 3.595 1.00 0.00 C ATOM 819 OG SER A 53 6.745 1.455 4.932 1.00 0.00 O ATOM 0 H SER A 53 7.925 3.875 3.020 1.00 0.00 H new ATOM 0 HA SER A 53 6.559 2.169 1.677 1.00 0.00 H new ATOM 0 HB2 SER A 53 7.129 0.397 3.199 1.00 0.00 H new ATOM 0 HB3 SER A 53 8.282 1.665 3.566 1.00 0.00 H new ATOM 0 HG SER A 53 7.022 2.298 5.349 1.00 0.00 H new ATOM 825 N LYS A 54 4.547 2.557 4.264 1.00 0.00 N ATOM 826 CA LYS A 54 3.110 2.439 4.642 1.00 0.00 C ATOM 827 C LYS A 54 2.280 3.405 3.791 1.00 0.00 C ATOM 828 O LYS A 54 1.392 3.003 3.063 1.00 0.00 O ATOM 829 CB LYS A 54 2.944 2.791 6.122 1.00 0.00 C ATOM 830 CG LYS A 54 3.930 1.970 6.955 1.00 0.00 C ATOM 831 CD LYS A 54 3.809 0.492 6.581 1.00 0.00 C ATOM 832 CE LYS A 54 4.030 -0.370 7.825 1.00 0.00 C ATOM 833 NZ LYS A 54 2.882 -0.200 8.759 1.00 0.00 N ATOM 0 H LYS A 54 5.164 2.895 5.003 1.00 0.00 H new ATOM 0 HA LYS A 54 2.769 1.418 4.470 1.00 0.00 H new ATOM 0 HB2 LYS A 54 3.120 3.856 6.276 1.00 0.00 H new ATOM 0 HB3 LYS A 54 1.922 2.587 6.443 1.00 0.00 H new ATOM 0 HG2 LYS A 54 4.948 2.318 6.780 1.00 0.00 H new ATOM 0 HG3 LYS A 54 3.725 2.105 8.017 1.00 0.00 H new ATOM 0 HD2 LYS A 54 2.824 0.293 6.158 1.00 0.00 H new ATOM 0 HD3 LYS A 54 4.542 0.239 5.815 1.00 0.00 H new ATOM 0 HE2 LYS A 54 4.129 -1.418 7.541 1.00 0.00 H new ATOM 0 HE3 LYS A 54 4.959 -0.084 8.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 2.755 -1.070 9.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 3.071 0.597 9.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 2.017 -0.008 8.215 1.00 0.00 H new ATOM 847 N LYS A 55 2.565 4.675 3.876 1.00 0.00 N ATOM 848 CA LYS A 55 1.799 5.669 3.073 1.00 0.00 C ATOM 849 C LYS A 55 1.884 5.301 1.590 1.00 0.00 C ATOM 850 O LYS A 55 0.889 5.017 0.952 1.00 0.00 O ATOM 851 CB LYS A 55 2.396 7.062 3.289 1.00 0.00 C ATOM 852 CG LYS A 55 1.358 7.965 3.955 1.00 0.00 C ATOM 853 CD LYS A 55 1.778 9.429 3.803 1.00 0.00 C ATOM 854 CE LYS A 55 2.485 9.895 5.078 1.00 0.00 C ATOM 855 NZ LYS A 55 1.762 11.066 5.649 1.00 0.00 N ATOM 0 H LYS A 55 3.297 5.068 4.468 1.00 0.00 H new ATOM 0 HA LYS A 55 0.755 5.667 3.387 1.00 0.00 H new ATOM 0 HB2 LYS A 55 3.288 6.994 3.912 1.00 0.00 H new ATOM 0 HB3 LYS A 55 2.706 7.488 2.335 1.00 0.00 H new ATOM 0 HG2 LYS A 55 0.380 7.808 3.501 1.00 0.00 H new ATOM 0 HG3 LYS A 55 1.264 7.711 5.011 1.00 0.00 H new ATOM 0 HD2 LYS A 55 2.442 9.540 2.946 1.00 0.00 H new ATOM 0 HD3 LYS A 55 0.903 10.051 3.612 1.00 0.00 H new ATOM 0 HE2 LYS A 55 2.517 9.084 5.806 1.00 0.00 H new ATOM 0 HE3 LYS A 55 3.517 10.165 4.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 2.243 11.382 6.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 1.754 11.841 4.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 0.784 10.794 5.876 1.00 0.00 H new ATOM 869 N ARG A 56 3.067 5.311 1.037 1.00 0.00 N ATOM 870 CA ARG A 56 3.226 4.968 -0.404 1.00 0.00 C ATOM 871 C ARG A 56 2.346 3.768 -0.757 1.00 0.00 C ATOM 872 O ARG A 56 1.674 3.765 -1.768 1.00 0.00 O ATOM 873 CB ARG A 56 4.689 4.631 -0.691 1.00 0.00 C ATOM 874 CG ARG A 56 5.347 5.810 -1.408 1.00 0.00 C ATOM 875 CD ARG A 56 5.160 5.658 -2.920 1.00 0.00 C ATOM 876 NE ARG A 56 5.971 6.687 -3.633 1.00 0.00 N ATOM 877 CZ ARG A 56 6.108 7.883 -3.125 1.00 0.00 C ATOM 878 NH1 ARG A 56 5.054 8.604 -2.861 1.00 0.00 N ATOM 879 NH2 ARG A 56 7.300 8.355 -2.883 1.00 0.00 N ATOM 0 H ARG A 56 3.933 5.543 1.524 1.00 0.00 H new ATOM 0 HA ARG A 56 2.923 5.822 -1.009 1.00 0.00 H new ATOM 0 HB2 ARG A 56 5.214 4.417 0.240 1.00 0.00 H new ATOM 0 HB3 ARG A 56 4.754 3.734 -1.307 1.00 0.00 H new ATOM 0 HG2 ARG A 56 4.906 6.747 -1.069 1.00 0.00 H new ATOM 0 HG3 ARG A 56 6.409 5.851 -1.165 1.00 0.00 H new ATOM 0 HD2 ARG A 56 5.463 4.660 -3.235 1.00 0.00 H new ATOM 0 HD3 ARG A 56 4.107 5.768 -3.179 1.00 0.00 H new ATOM 0 HE ARG A 56 6.420 6.456 -4.519 1.00 0.00 H new ATOM 0 HH11 ARG A 56 4.123 8.234 -3.051 1.00 0.00 H new ATOM 0 HH12 ARG A 56 5.161 9.538 -2.464 1.00 0.00 H new ATOM 0 HH21 ARG A 56 8.124 7.790 -3.090 1.00 0.00 H new ATOM 0 HH22 ARG A 56 7.408 9.289 -2.486 1.00 0.00 H new ATOM 893 N ALA A 57 2.337 2.748 0.058 1.00 0.00 N ATOM 894 CA ALA A 57 1.486 1.567 -0.259 1.00 0.00 C ATOM 895 C ALA A 57 0.026 2.025 -0.347 1.00 0.00 C ATOM 896 O ALA A 57 -0.628 1.874 -1.362 1.00 0.00 O ATOM 897 CB ALA A 57 1.622 0.502 0.836 1.00 0.00 C ATOM 0 H ALA A 57 2.877 2.682 0.921 1.00 0.00 H new ATOM 0 HA ALA A 57 1.805 1.134 -1.207 1.00 0.00 H new ATOM 0 HB1 ALA A 57 0.994 -0.355 0.590 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.662 0.182 0.905 1.00 0.00 H new ATOM 0 HB3 ALA A 57 1.307 0.921 1.792 1.00 0.00 H new ATOM 903 N ALA A 58 -0.486 2.587 0.717 1.00 0.00 N ATOM 904 CA ALA A 58 -1.901 3.062 0.713 1.00 0.00 C ATOM 905 C ALA A 58 -2.169 3.895 -0.544 1.00 0.00 C ATOM 906 O ALA A 58 -2.939 3.505 -1.399 1.00 0.00 O ATOM 907 CB ALA A 58 -2.158 3.920 1.955 1.00 0.00 C ATOM 0 H ALA A 58 0.017 2.738 1.591 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.566 2.198 0.721 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -3.192 4.266 1.951 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.978 3.326 2.851 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -1.488 4.779 1.949 1.00 0.00 H new ATOM 913 N GLU A 59 -1.549 5.041 -0.665 1.00 0.00 N ATOM 914 CA GLU A 59 -1.790 5.886 -1.872 1.00 0.00 C ATOM 915 C GLU A 59 -1.766 5.007 -3.116 1.00 0.00 C ATOM 916 O GLU A 59 -2.553 5.174 -4.019 1.00 0.00 O ATOM 917 CB GLU A 59 -0.702 6.954 -1.998 1.00 0.00 C ATOM 918 CG GLU A 59 -1.062 8.158 -1.126 1.00 0.00 C ATOM 919 CD GLU A 59 -1.431 9.344 -2.020 1.00 0.00 C ATOM 920 OE1 GLU A 59 -0.525 10.032 -2.461 1.00 0.00 O ATOM 921 OE2 GLU A 59 -2.613 9.544 -2.247 1.00 0.00 O ATOM 0 H GLU A 59 -0.892 5.425 0.014 1.00 0.00 H new ATOM 0 HA GLU A 59 -2.761 6.372 -1.773 1.00 0.00 H new ATOM 0 HB2 GLU A 59 0.261 6.545 -1.691 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -0.600 7.263 -3.038 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -1.897 7.909 -0.471 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -0.221 8.420 -0.485 1.00 0.00 H new ATOM 928 N LYS A 60 -0.871 4.069 -3.168 1.00 0.00 N ATOM 929 CA LYS A 60 -0.802 3.178 -4.356 1.00 0.00 C ATOM 930 C LYS A 60 -2.165 2.515 -4.561 1.00 0.00 C ATOM 931 O LYS A 60 -2.708 2.513 -5.646 1.00 0.00 O ATOM 932 CB LYS A 60 0.269 2.109 -4.129 1.00 0.00 C ATOM 933 CG LYS A 60 1.430 2.340 -5.100 1.00 0.00 C ATOM 934 CD LYS A 60 2.272 3.524 -4.617 1.00 0.00 C ATOM 935 CE LYS A 60 2.921 4.214 -5.818 1.00 0.00 C ATOM 936 NZ LYS A 60 2.711 5.687 -5.719 1.00 0.00 N ATOM 0 H LYS A 60 -0.182 3.878 -2.440 1.00 0.00 H new ATOM 0 HA LYS A 60 -0.543 3.758 -5.242 1.00 0.00 H new ATOM 0 HB2 LYS A 60 0.627 2.150 -3.100 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -0.154 1.116 -4.280 1.00 0.00 H new ATOM 0 HG2 LYS A 60 2.047 1.444 -5.165 1.00 0.00 H new ATOM 0 HG3 LYS A 60 1.047 2.537 -6.101 1.00 0.00 H new ATOM 0 HD2 LYS A 60 1.646 4.231 -4.073 1.00 0.00 H new ATOM 0 HD3 LYS A 60 3.039 3.179 -3.924 1.00 0.00 H new ATOM 0 HE2 LYS A 60 3.987 3.989 -5.848 1.00 0.00 H new ATOM 0 HE3 LYS A 60 2.490 3.836 -6.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 3.537 6.183 -6.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 1.861 5.953 -6.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 2.589 5.954 -4.721 1.00 0.00 H new ATOM 950 N MET A 61 -2.717 1.953 -3.520 1.00 0.00 N ATOM 951 CA MET A 61 -4.044 1.280 -3.636 1.00 0.00 C ATOM 952 C MET A 61 -5.151 2.315 -3.888 1.00 0.00 C ATOM 953 O MET A 61 -5.821 2.292 -4.906 1.00 0.00 O ATOM 954 CB MET A 61 -4.323 0.538 -2.327 1.00 0.00 C ATOM 955 CG MET A 61 -5.809 0.204 -2.214 1.00 0.00 C ATOM 956 SD MET A 61 -6.030 -1.023 -0.911 1.00 0.00 S ATOM 957 CE MET A 61 -4.984 -2.294 -1.656 1.00 0.00 C ATOM 0 H MET A 61 -2.303 1.931 -2.588 1.00 0.00 H new ATOM 0 HA MET A 61 -4.029 0.583 -4.474 1.00 0.00 H new ATOM 0 HB2 MET A 61 -3.733 -0.378 -2.287 1.00 0.00 H new ATOM 0 HB3 MET A 61 -4.016 1.152 -1.480 1.00 0.00 H new ATOM 0 HG2 MET A 61 -6.382 1.103 -1.987 1.00 0.00 H new ATOM 0 HG3 MET A 61 -6.183 -0.181 -3.163 1.00 0.00 H new ATOM 0 HE1 MET A 61 -5.221 -3.263 -1.217 1.00 0.00 H new ATOM 0 HE2 MET A 61 -5.163 -2.329 -2.731 1.00 0.00 H new ATOM 0 HE3 MET A 61 -3.936 -2.058 -1.470 1.00 0.00 H new ATOM 967 N LEU A 62 -5.366 3.212 -2.967 1.00 0.00 N ATOM 968 CA LEU A 62 -6.442 4.223 -3.162 1.00 0.00 C ATOM 969 C LEU A 62 -6.300 4.808 -4.562 1.00 0.00 C ATOM 970 O LEU A 62 -7.149 4.629 -5.412 1.00 0.00 O ATOM 971 CB LEU A 62 -6.314 5.328 -2.112 1.00 0.00 C ATOM 972 CG LEU A 62 -6.459 4.774 -0.674 1.00 0.00 C ATOM 973 CD1 LEU A 62 -7.401 5.682 0.111 1.00 0.00 C ATOM 974 CD2 LEU A 62 -7.043 3.347 -0.633 1.00 0.00 C ATOM 0 H LEU A 62 -4.847 3.289 -2.092 1.00 0.00 H new ATOM 0 HA LEU A 62 -7.421 3.758 -3.052 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.346 5.819 -2.217 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -7.077 6.087 -2.288 1.00 0.00 H new ATOM 0 HG LEU A 62 -5.458 4.743 -0.244 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -7.511 5.301 1.126 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -6.990 6.691 0.144 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -8.376 5.703 -0.376 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -7.120 3.015 0.402 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -8.033 3.346 -1.089 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -6.389 2.670 -1.183 1.00 0.00 H new ATOM 986 N VAL A 63 -5.217 5.484 -4.818 1.00 0.00 N ATOM 987 CA VAL A 63 -5.005 6.051 -6.173 1.00 0.00 C ATOM 988 C VAL A 63 -5.228 4.940 -7.201 1.00 0.00 C ATOM 989 O VAL A 63 -5.733 5.173 -8.280 1.00 0.00 O ATOM 990 CB VAL A 63 -3.574 6.579 -6.288 1.00 0.00 C ATOM 991 CG1 VAL A 63 -3.262 6.894 -7.746 1.00 0.00 C ATOM 992 CG2 VAL A 63 -3.431 7.852 -5.450 1.00 0.00 C ATOM 0 H VAL A 63 -4.471 5.667 -4.147 1.00 0.00 H new ATOM 0 HA VAL A 63 -5.700 6.871 -6.351 1.00 0.00 H new ATOM 0 HB VAL A 63 -2.879 5.823 -5.924 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -2.242 7.270 -7.827 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -3.363 5.988 -8.344 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -3.957 7.649 -8.112 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -2.411 8.229 -5.532 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -4.127 8.607 -5.814 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.652 7.628 -4.407 1.00 0.00 H new ATOM 1002 N GLU A 64 -4.861 3.728 -6.869 1.00 0.00 N ATOM 1003 CA GLU A 64 -5.065 2.602 -7.826 1.00 0.00 C ATOM 1004 C GLU A 64 -6.523 2.596 -8.286 1.00 0.00 C ATOM 1005 O GLU A 64 -6.815 2.836 -9.440 1.00 0.00 O ATOM 1006 CB GLU A 64 -4.732 1.268 -7.152 1.00 0.00 C ATOM 1007 CG GLU A 64 -3.605 0.577 -7.920 1.00 0.00 C ATOM 1008 CD GLU A 64 -4.158 -0.649 -8.647 1.00 0.00 C ATOM 1009 OE1 GLU A 64 -4.707 -1.510 -7.980 1.00 0.00 O ATOM 1010 OE2 GLU A 64 -4.024 -0.706 -9.859 1.00 0.00 O ATOM 0 H GLU A 64 -4.431 3.472 -5.980 1.00 0.00 H new ATOM 0 HA GLU A 64 -4.406 2.734 -8.684 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -4.432 1.436 -6.118 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -5.615 0.630 -7.128 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -3.162 1.269 -8.637 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -2.813 0.279 -7.233 1.00 0.00 H new ATOM 1017 N LEU A 65 -7.450 2.327 -7.399 1.00 0.00 N ATOM 1018 CA LEU A 65 -8.876 2.316 -7.807 1.00 0.00 C ATOM 1019 C LEU A 65 -9.240 3.639 -8.490 1.00 0.00 C ATOM 1020 O LEU A 65 -9.913 3.664 -9.501 1.00 0.00 O ATOM 1021 CB LEU A 65 -9.751 2.136 -6.568 1.00 0.00 C ATOM 1022 CG LEU A 65 -9.552 0.742 -5.958 1.00 0.00 C ATOM 1023 CD1 LEU A 65 -9.242 -0.299 -7.041 1.00 0.00 C ATOM 1024 CD2 LEU A 65 -8.409 0.774 -4.947 1.00 0.00 C ATOM 0 H LEU A 65 -7.275 2.116 -6.416 1.00 0.00 H new ATOM 0 HA LEU A 65 -9.041 1.495 -8.505 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -9.505 2.899 -5.830 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -10.799 2.275 -6.834 1.00 0.00 H new ATOM 0 HG LEU A 65 -10.479 0.459 -5.460 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -9.106 -1.276 -6.578 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -10.069 -0.345 -7.749 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -8.330 -0.017 -7.567 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -8.274 -0.219 -4.519 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -7.490 1.082 -5.446 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -8.645 1.483 -4.153 1.00 0.00 H new ATOM 1036 N GLN A 66 -8.812 4.740 -7.936 1.00 0.00 N ATOM 1037 CA GLN A 66 -9.145 6.064 -8.539 1.00 0.00 C ATOM 1038 C GLN A 66 -8.739 6.094 -10.017 1.00 0.00 C ATOM 1039 O GLN A 66 -9.362 6.755 -10.824 1.00 0.00 O ATOM 1040 CB GLN A 66 -8.398 7.167 -7.787 1.00 0.00 C ATOM 1041 CG GLN A 66 -9.196 7.562 -6.544 1.00 0.00 C ATOM 1042 CD GLN A 66 -8.390 7.283 -5.305 1.00 0.00 C ATOM 1043 OE1 GLN A 66 -7.248 7.680 -5.185 1.00 0.00 O ATOM 1044 NE2 GLN A 66 -8.957 6.605 -4.367 1.00 0.00 N ATOM 0 H GLN A 66 -8.244 4.781 -7.089 1.00 0.00 H new ATOM 0 HA GLN A 66 -10.220 6.225 -8.464 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -7.405 6.819 -7.501 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -8.258 8.033 -8.434 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -9.455 8.620 -6.589 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -10.133 7.006 -6.511 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -9.916 6.278 -4.482 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -8.446 6.395 -3.509 1.00 0.00 H new ATOM 1053 N LYS A 67 -7.701 5.393 -10.377 1.00 0.00 N ATOM 1054 CA LYS A 67 -7.261 5.396 -11.801 1.00 0.00 C ATOM 1055 C LYS A 67 -8.099 4.398 -12.599 1.00 0.00 C ATOM 1056 O LYS A 67 -8.508 4.662 -13.712 1.00 0.00 O ATOM 1057 CB LYS A 67 -5.784 5.000 -11.879 1.00 0.00 C ATOM 1058 CG LYS A 67 -4.969 6.170 -12.434 1.00 0.00 C ATOM 1059 CD LYS A 67 -4.234 6.870 -11.287 1.00 0.00 C ATOM 1060 CE LYS A 67 -3.226 7.868 -11.860 1.00 0.00 C ATOM 1061 NZ LYS A 67 -2.065 7.130 -12.433 1.00 0.00 N ATOM 0 H LYS A 67 -7.139 4.819 -9.749 1.00 0.00 H new ATOM 0 HA LYS A 67 -7.393 6.394 -12.219 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -5.418 4.725 -10.890 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -5.665 4.125 -12.518 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -4.253 5.810 -13.173 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -5.626 6.875 -12.943 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -4.948 7.386 -10.645 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -3.721 6.135 -10.667 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -3.699 8.477 -12.630 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -2.888 8.549 -11.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -1.255 7.775 -12.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -1.810 6.342 -11.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -2.319 6.757 -13.370 1.00 0.00 H new ATOM 1075 N LEU A 68 -8.355 3.251 -12.038 1.00 0.00 N ATOM 1076 CA LEU A 68 -9.161 2.232 -12.755 1.00 0.00 C ATOM 1077 C LEU A 68 -10.630 2.662 -12.772 1.00 0.00 C ATOM 1078 O LEU A 68 -11.278 2.528 -11.747 1.00 0.00 O ATOM 1079 CB LEU A 68 -9.026 0.895 -12.028 1.00 0.00 C ATOM 1080 CG LEU A 68 -7.561 0.660 -11.658 1.00 0.00 C ATOM 1081 CD1 LEU A 68 -7.393 -0.758 -11.110 1.00 0.00 C ATOM 1082 CD2 LEU A 68 -6.688 0.830 -12.904 1.00 0.00 C ATOM 1083 OXT LEU A 68 -11.081 3.115 -13.810 1.00 0.00 O ATOM 0 H LEU A 68 -8.038 2.976 -11.108 1.00 0.00 H new ATOM 0 HA LEU A 68 -8.806 2.132 -13.781 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -9.643 0.894 -11.130 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -9.386 0.086 -12.663 1.00 0.00 H new ATOM 0 HG LEU A 68 -7.258 1.381 -10.899 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -6.349 -0.925 -10.846 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -8.015 -0.882 -10.224 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -7.695 -1.480 -11.869 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -5.643 0.663 -12.642 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -6.992 0.108 -13.662 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -6.806 1.840 -13.296 1.00 0.00 H new