USER MOD reduce.3.24.130724 H: found=0, std=0, add=475, rem=0, adj=11 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 Single : A 3 SER OG : rot 180:sc= -0.0188 USER MOD Single : A 4 GLN : amide:sc= 0.00269 K(o=0.0027,f=-2.1!) USER MOD Single : A 6 HIS : no HE2:sc= -10.6! C(o=-11!,f=-9.3!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= -0.158 K(o=-0.16,f=-1.2!) USER MOD Single : A 14 MET CE :methyl 141:sc= -4.24! (180deg=-7.35!) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.113 USER MOD Single : A 17 HIS : no HD1:sc= -7.07! C(o=-7.1!,f=-4.6!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= 0.0269 X(o=0.027,f=0) USER MOD Single : A 34 THR OG1 : rot 22:sc= -5.93! USER MOD Single : A 36 CYS SG : rot 80:sc= -8.98! USER MOD Single : A 40 SER OG : rot 9:sc= 1.04 USER MOD Single : A 43 THR OG1 : rot -52:sc= 1.08 USER MOD Single : A 53 SER OG : rot -90:sc= 0.0486 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ -115:sc= -1.97! (180deg=-2.35!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 MET CE :methyl -160:sc= -16.2! (180deg=-19.3!) USER MOD Single : A 66 GLN : amide:sc= -2.75! C(o=-2.8!,f=-3.5!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -2.355 7.199 5.657 1.00 0.00 N ATOM 2 CA PRO A 1 -2.257 6.373 4.414 1.00 0.00 C ATOM 3 C PRO A 1 -3.003 5.052 4.610 1.00 0.00 C ATOM 4 O PRO A 1 -3.822 4.663 3.802 1.00 0.00 O ATOM 5 CB PRO A 1 -0.780 6.092 4.142 1.00 0.00 C ATOM 6 CG PRO A 1 0.020 6.754 5.257 1.00 0.00 C ATOM 7 CD PRO A 1 -0.978 7.435 6.190 1.00 0.00 C ATOM 0 H2 PRO A 1 -2.926 6.721 6.354 1.00 0.00 H new ATOM 0 H3 PRO A 1 -2.812 8.088 5.455 1.00 0.00 H new ATOM 0 HA PRO A 1 -2.702 6.906 3.574 1.00 0.00 H new ATOM 0 HB2 PRO A 1 -0.591 5.019 4.119 1.00 0.00 H new ATOM 0 HB3 PRO A 1 -0.486 6.489 3.170 1.00 0.00 H new ATOM 0 HG2 PRO A 1 0.609 6.014 5.799 1.00 0.00 H new ATOM 0 HG3 PRO A 1 0.721 7.481 4.847 1.00 0.00 H new ATOM 0 HD2 PRO A 1 -0.888 7.035 7.200 1.00 0.00 H new ATOM 0 HD3 PRO A 1 -0.772 8.504 6.251 1.00 0.00 H new ATOM 17 N ILE A 2 -2.721 4.359 5.678 1.00 0.00 N ATOM 18 CA ILE A 2 -3.407 3.060 5.930 1.00 0.00 C ATOM 19 C ILE A 2 -4.864 3.311 6.319 1.00 0.00 C ATOM 20 O ILE A 2 -5.767 2.672 5.822 1.00 0.00 O ATOM 21 CB ILE A 2 -2.698 2.324 7.067 1.00 0.00 C ATOM 22 CG1 ILE A 2 -1.182 2.478 6.911 1.00 0.00 C ATOM 23 CG2 ILE A 2 -3.066 0.841 7.022 1.00 0.00 C ATOM 24 CD1 ILE A 2 -0.783 2.178 5.464 1.00 0.00 C ATOM 0 H ILE A 2 -2.044 4.636 6.389 1.00 0.00 H new ATOM 0 HA ILE A 2 -3.375 2.454 5.024 1.00 0.00 H new ATOM 0 HB ILE A 2 -3.009 2.748 8.022 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -0.879 3.490 7.180 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -0.665 1.799 7.590 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -2.561 0.316 7.833 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -4.144 0.730 7.135 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -2.756 0.418 6.067 1.00 0.00 H new ATOM 0 HD11 ILE A 2 0.296 2.288 5.354 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -1.072 1.158 5.211 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -1.289 2.874 4.795 1.00 0.00 H new ATOM 36 N SER A 3 -5.100 4.233 7.210 1.00 0.00 N ATOM 37 CA SER A 3 -6.499 4.513 7.636 1.00 0.00 C ATOM 38 C SER A 3 -7.340 4.942 6.430 1.00 0.00 C ATOM 39 O SER A 3 -8.519 4.663 6.358 1.00 0.00 O ATOM 40 CB SER A 3 -6.495 5.627 8.681 1.00 0.00 C ATOM 41 OG SER A 3 -6.509 6.889 8.026 1.00 0.00 O ATOM 0 H SER A 3 -4.385 4.804 7.661 1.00 0.00 H new ATOM 0 HA SER A 3 -6.932 3.609 8.065 1.00 0.00 H new ATOM 0 HB2 SER A 3 -7.364 5.533 9.332 1.00 0.00 H new ATOM 0 HB3 SER A 3 -5.612 5.543 9.314 1.00 0.00 H new ATOM 0 HG SER A 3 -6.508 7.605 8.695 1.00 0.00 H new ATOM 47 N GLN A 4 -6.748 5.616 5.482 1.00 0.00 N ATOM 48 CA GLN A 4 -7.528 6.053 4.287 1.00 0.00 C ATOM 49 C GLN A 4 -7.991 4.820 3.511 1.00 0.00 C ATOM 50 O GLN A 4 -9.171 4.627 3.267 1.00 0.00 O ATOM 51 CB GLN A 4 -6.646 6.920 3.388 1.00 0.00 C ATOM 52 CG GLN A 4 -6.311 8.228 4.106 1.00 0.00 C ATOM 53 CD GLN A 4 -5.247 8.989 3.312 1.00 0.00 C ATOM 54 OE1 GLN A 4 -4.107 9.072 3.725 1.00 0.00 O ATOM 55 NE2 GLN A 4 -5.574 9.552 2.182 1.00 0.00 N ATOM 0 H GLN A 4 -5.763 5.882 5.482 1.00 0.00 H new ATOM 0 HA GLN A 4 -8.394 6.632 4.608 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -5.729 6.386 3.137 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -7.160 7.130 2.450 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -7.208 8.838 4.210 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -5.949 8.020 5.113 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -6.531 9.482 1.836 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -4.873 10.062 1.645 1.00 0.00 H new ATOM 64 N VAL A 5 -7.077 3.972 3.129 1.00 0.00 N ATOM 65 CA VAL A 5 -7.485 2.754 2.388 1.00 0.00 C ATOM 66 C VAL A 5 -8.475 1.999 3.254 1.00 0.00 C ATOM 67 O VAL A 5 -9.617 1.859 2.905 1.00 0.00 O ATOM 68 CB VAL A 5 -6.266 1.873 2.100 1.00 0.00 C ATOM 69 CG1 VAL A 5 -6.626 0.805 1.064 1.00 0.00 C ATOM 70 CG2 VAL A 5 -5.117 2.738 1.571 1.00 0.00 C ATOM 0 H VAL A 5 -6.076 4.071 3.297 1.00 0.00 H new ATOM 0 HA VAL A 5 -7.937 3.026 1.434 1.00 0.00 H new ATOM 0 HB VAL A 5 -5.955 1.384 3.023 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -5.754 0.183 0.865 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -7.435 0.184 1.448 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -6.946 1.287 0.140 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -4.251 2.108 1.367 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -5.429 3.235 0.652 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -4.853 3.488 2.317 1.00 0.00 H new ATOM 80 N HIS A 6 -8.057 1.533 4.393 1.00 0.00 N ATOM 81 CA HIS A 6 -8.998 0.814 5.286 1.00 0.00 C ATOM 82 C HIS A 6 -10.357 1.516 5.250 1.00 0.00 C ATOM 83 O HIS A 6 -11.397 0.888 5.268 1.00 0.00 O ATOM 84 CB HIS A 6 -8.451 0.858 6.710 1.00 0.00 C ATOM 85 CG HIS A 6 -7.283 -0.080 6.839 1.00 0.00 C ATOM 86 ND1 HIS A 6 -7.420 -1.454 6.731 1.00 0.00 N ATOM 87 CD2 HIS A 6 -5.949 0.147 7.076 1.00 0.00 C ATOM 88 CE1 HIS A 6 -6.202 -1.998 6.901 1.00 0.00 C ATOM 89 NE2 HIS A 6 -5.268 -1.066 7.117 1.00 0.00 N ATOM 0 H HIS A 6 -7.103 1.619 4.744 1.00 0.00 H new ATOM 0 HA HIS A 6 -9.109 -0.220 4.959 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -8.142 1.873 6.959 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -9.232 0.580 7.418 1.00 0.00 H new ATOM 0 HD1 HIS A 6 -8.287 -1.961 6.555 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -5.497 1.119 7.210 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -6.002 -3.059 6.867 1.00 0.00 H new ATOM 97 N GLU A 7 -10.348 2.823 5.183 1.00 0.00 N ATOM 98 CA GLU A 7 -11.627 3.581 5.146 1.00 0.00 C ATOM 99 C GLU A 7 -12.432 3.210 3.898 1.00 0.00 C ATOM 100 O GLU A 7 -13.487 2.619 3.992 1.00 0.00 O ATOM 101 CB GLU A 7 -11.330 5.082 5.133 1.00 0.00 C ATOM 102 CG GLU A 7 -11.646 5.674 6.507 1.00 0.00 C ATOM 103 CD GLU A 7 -12.133 7.115 6.342 1.00 0.00 C ATOM 104 OE1 GLU A 7 -13.219 7.295 5.818 1.00 0.00 O ATOM 105 OE2 GLU A 7 -11.411 8.012 6.742 1.00 0.00 O ATOM 0 H GLU A 7 -9.505 3.396 5.152 1.00 0.00 H new ATOM 0 HA GLU A 7 -12.212 3.328 6.030 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -10.283 5.255 4.882 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -11.927 5.575 4.366 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -12.409 5.076 7.006 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -10.758 5.649 7.139 1.00 0.00 H new ATOM 112 N ILE A 8 -11.960 3.564 2.734 1.00 0.00 N ATOM 113 CA ILE A 8 -12.726 3.238 1.494 1.00 0.00 C ATOM 114 C ILE A 8 -12.769 1.723 1.271 1.00 0.00 C ATOM 115 O ILE A 8 -13.810 1.146 1.031 1.00 0.00 O ATOM 116 CB ILE A 8 -12.052 3.909 0.295 1.00 0.00 C ATOM 117 CG1 ILE A 8 -10.567 3.530 0.248 1.00 0.00 C ATOM 118 CG2 ILE A 8 -12.187 5.427 0.418 1.00 0.00 C ATOM 119 CD1 ILE A 8 -10.374 2.303 -0.648 1.00 0.00 C ATOM 0 H ILE A 8 -11.082 4.062 2.586 1.00 0.00 H new ATOM 0 HA ILE A 8 -13.747 3.605 1.603 1.00 0.00 H new ATOM 0 HB ILE A 8 -12.536 3.571 -0.621 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -9.981 4.366 -0.133 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -10.204 3.318 1.254 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -11.707 5.905 -0.436 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -13.243 5.698 0.440 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -11.708 5.762 1.338 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -9.317 2.037 -0.678 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -10.947 1.467 -0.248 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -10.720 2.531 -1.656 1.00 0.00 H new ATOM 131 N GLY A 9 -11.640 1.085 1.334 1.00 0.00 N ATOM 132 CA GLY A 9 -11.575 -0.380 1.114 1.00 0.00 C ATOM 133 C GLY A 9 -12.678 -1.081 1.901 1.00 0.00 C ATOM 134 O GLY A 9 -13.465 -1.824 1.352 1.00 0.00 O ATOM 0 H GLY A 9 -10.742 1.526 1.533 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -11.680 -0.600 0.052 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -10.601 -0.759 1.423 1.00 0.00 H new ATOM 138 N ILE A 10 -12.740 -0.866 3.185 1.00 0.00 N ATOM 139 CA ILE A 10 -13.797 -1.548 3.985 1.00 0.00 C ATOM 140 C ILE A 10 -15.178 -0.990 3.611 1.00 0.00 C ATOM 141 O ILE A 10 -16.124 -1.726 3.415 1.00 0.00 O ATOM 142 CB ILE A 10 -13.506 -1.344 5.484 1.00 0.00 C ATOM 143 CG1 ILE A 10 -12.967 -2.650 6.048 1.00 0.00 C ATOM 144 CG2 ILE A 10 -14.771 -0.948 6.257 1.00 0.00 C ATOM 145 CD1 ILE A 10 -13.984 -3.760 5.776 1.00 0.00 C ATOM 0 H ILE A 10 -12.114 -0.256 3.711 1.00 0.00 H new ATOM 0 HA ILE A 10 -13.796 -2.616 3.769 1.00 0.00 H new ATOM 0 HB ILE A 10 -12.781 -0.538 5.592 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -12.010 -2.894 5.587 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -12.790 -2.554 7.119 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -14.526 -0.813 7.311 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -15.167 -0.016 5.854 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -15.520 -1.734 6.156 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -13.610 -4.702 6.176 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -14.930 -3.512 6.257 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -14.138 -3.857 4.701 1.00 0.00 H new ATOM 157 N LYS A 11 -15.301 0.304 3.535 1.00 0.00 N ATOM 158 CA LYS A 11 -16.618 0.914 3.200 1.00 0.00 C ATOM 159 C LYS A 11 -17.063 0.492 1.798 1.00 0.00 C ATOM 160 O LYS A 11 -18.192 0.710 1.407 1.00 0.00 O ATOM 161 CB LYS A 11 -16.490 2.435 3.246 1.00 0.00 C ATOM 162 CG LYS A 11 -17.244 2.979 4.460 1.00 0.00 C ATOM 163 CD LYS A 11 -17.718 4.404 4.170 1.00 0.00 C ATOM 164 CE LYS A 11 -19.071 4.638 4.843 1.00 0.00 C ATOM 165 NZ LYS A 11 -20.131 4.751 3.800 1.00 0.00 N ATOM 0 H LYS A 11 -14.544 0.969 3.691 1.00 0.00 H new ATOM 0 HA LYS A 11 -17.359 0.574 3.923 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -15.439 2.720 3.301 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -16.891 2.871 2.331 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -18.097 2.340 4.688 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -16.597 2.971 5.337 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -16.987 5.124 4.539 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -17.803 4.559 3.094 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -19.299 3.816 5.521 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -19.038 5.547 5.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -21.052 4.910 4.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -19.914 5.550 3.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -20.167 3.872 3.245 1.00 0.00 H new ATOM 179 N ARG A 12 -16.190 -0.099 1.035 1.00 0.00 N ATOM 180 CA ARG A 12 -16.579 -0.518 -0.344 1.00 0.00 C ATOM 181 C ARG A 12 -16.282 -2.006 -0.536 1.00 0.00 C ATOM 182 O ARG A 12 -16.346 -2.525 -1.633 1.00 0.00 O ATOM 183 CB ARG A 12 -15.786 0.298 -1.367 1.00 0.00 C ATOM 184 CG ARG A 12 -16.754 0.959 -2.351 1.00 0.00 C ATOM 185 CD ARG A 12 -15.969 1.555 -3.522 1.00 0.00 C ATOM 186 NE ARG A 12 -16.914 1.959 -4.602 1.00 0.00 N ATOM 187 CZ ARG A 12 -17.968 1.233 -4.856 1.00 0.00 C ATOM 188 NH1 ARG A 12 -19.079 1.443 -4.203 1.00 0.00 N ATOM 189 NH2 ARG A 12 -17.912 0.293 -5.760 1.00 0.00 N ATOM 0 H ARG A 12 -15.228 -0.311 1.301 1.00 0.00 H new ATOM 0 HA ARG A 12 -17.646 -0.344 -0.486 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -15.191 1.057 -0.860 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -15.090 -0.348 -1.903 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -17.473 0.226 -2.717 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -17.324 1.740 -1.847 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -15.394 2.418 -3.186 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -15.255 0.825 -3.904 1.00 0.00 H new ATOM 0 HE ARG A 12 -16.736 2.805 -5.144 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -19.123 2.175 -3.494 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -19.903 0.875 -4.402 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -17.044 0.126 -6.268 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -18.736 -0.274 -5.958 1.00 0.00 H new ATOM 203 N ASN A 13 -15.957 -2.694 0.523 1.00 0.00 N ATOM 204 CA ASN A 13 -15.652 -4.150 0.416 1.00 0.00 C ATOM 205 C ASN A 13 -14.226 -4.348 -0.105 1.00 0.00 C ATOM 206 O ASN A 13 -13.698 -5.442 -0.082 1.00 0.00 O ATOM 207 CB ASN A 13 -16.641 -4.824 -0.541 1.00 0.00 C ATOM 208 CG ASN A 13 -16.747 -6.311 -0.196 1.00 0.00 C ATOM 209 OD1 ASN A 13 -16.782 -6.676 0.963 1.00 0.00 O ATOM 210 ND2 ASN A 13 -16.797 -7.192 -1.156 1.00 0.00 N ATOM 0 H ASN A 13 -15.889 -2.308 1.465 1.00 0.00 H new ATOM 0 HA ASN A 13 -15.742 -4.601 1.404 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -17.620 -4.350 -0.463 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -16.308 -4.701 -1.572 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -16.865 -8.185 -0.934 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -16.768 -6.888 -2.129 1.00 0.00 H new ATOM 217 N MET A 14 -13.589 -3.303 -0.567 1.00 0.00 N ATOM 218 CA MET A 14 -12.201 -3.455 -1.073 1.00 0.00 C ATOM 219 C MET A 14 -11.263 -3.670 0.117 1.00 0.00 C ATOM 220 O MET A 14 -10.695 -2.740 0.652 1.00 0.00 O ATOM 221 CB MET A 14 -11.801 -2.195 -1.841 1.00 0.00 C ATOM 222 CG MET A 14 -12.142 -2.377 -3.320 1.00 0.00 C ATOM 223 SD MET A 14 -13.025 -0.915 -3.924 1.00 0.00 S ATOM 224 CE MET A 14 -11.843 0.325 -3.341 1.00 0.00 C ATOM 0 H MET A 14 -13.971 -2.358 -0.614 1.00 0.00 H new ATOM 0 HA MET A 14 -12.136 -4.311 -1.744 1.00 0.00 H new ATOM 0 HB2 MET A 14 -12.325 -1.328 -1.439 1.00 0.00 H new ATOM 0 HB3 MET A 14 -10.734 -2.006 -1.722 1.00 0.00 H new ATOM 0 HG2 MET A 14 -11.230 -2.528 -3.898 1.00 0.00 H new ATOM 0 HG3 MET A 14 -12.756 -3.267 -3.455 1.00 0.00 H new ATOM 0 HE1 MET A 14 -11.746 1.114 -4.087 1.00 0.00 H new ATOM 0 HE2 MET A 14 -12.198 0.753 -2.403 1.00 0.00 H new ATOM 0 HE3 MET A 14 -10.872 -0.144 -3.181 1.00 0.00 H new ATOM 234 N THR A 15 -11.118 -4.895 0.543 1.00 0.00 N ATOM 235 CA THR A 15 -10.240 -5.193 1.713 1.00 0.00 C ATOM 236 C THR A 15 -8.970 -4.343 1.667 1.00 0.00 C ATOM 237 O THR A 15 -8.613 -3.790 0.651 1.00 0.00 O ATOM 238 CB THR A 15 -9.863 -6.679 1.707 1.00 0.00 C ATOM 239 OG1 THR A 15 -10.546 -7.338 0.649 1.00 0.00 O ATOM 240 CG2 THR A 15 -10.275 -7.294 3.044 1.00 0.00 C ATOM 0 H THR A 15 -11.573 -5.709 0.129 1.00 0.00 H new ATOM 0 HA THR A 15 -10.785 -4.954 2.626 1.00 0.00 H new ATOM 0 HB THR A 15 -8.788 -6.790 1.562 1.00 0.00 H new ATOM 0 HG1 THR A 15 -10.303 -8.287 0.644 1.00 0.00 H new ATOM 0 HG21 THR A 15 -10.013 -8.352 3.054 1.00 0.00 H new ATOM 0 HG22 THR A 15 -9.755 -6.784 3.855 1.00 0.00 H new ATOM 0 HG23 THR A 15 -11.351 -7.186 3.178 1.00 0.00 H new ATOM 248 N VAL A 16 -8.285 -4.242 2.771 1.00 0.00 N ATOM 249 CA VAL A 16 -7.031 -3.439 2.810 1.00 0.00 C ATOM 250 C VAL A 16 -5.987 -4.219 3.606 1.00 0.00 C ATOM 251 O VAL A 16 -5.874 -4.072 4.807 1.00 0.00 O ATOM 252 CB VAL A 16 -7.301 -2.095 3.491 1.00 0.00 C ATOM 253 CG1 VAL A 16 -5.976 -1.364 3.731 1.00 0.00 C ATOM 254 CG2 VAL A 16 -8.199 -1.245 2.591 1.00 0.00 C ATOM 0 H VAL A 16 -8.541 -4.684 3.654 1.00 0.00 H new ATOM 0 HA VAL A 16 -6.671 -3.254 1.798 1.00 0.00 H new ATOM 0 HB VAL A 16 -7.796 -2.264 4.447 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -6.171 -0.407 4.216 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -5.336 -1.972 4.371 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -5.477 -1.192 2.777 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -8.394 -0.287 3.072 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -7.702 -1.077 1.636 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -9.142 -1.765 2.423 1.00 0.00 H new ATOM 264 N HIS A 17 -5.230 -5.061 2.955 1.00 0.00 N ATOM 265 CA HIS A 17 -4.206 -5.857 3.713 1.00 0.00 C ATOM 266 C HIS A 17 -2.806 -5.312 3.436 1.00 0.00 C ATOM 267 O HIS A 17 -2.162 -5.689 2.479 1.00 0.00 O ATOM 268 CB HIS A 17 -4.268 -7.330 3.298 1.00 0.00 C ATOM 269 CG HIS A 17 -5.545 -7.943 3.806 1.00 0.00 C ATOM 270 ND1 HIS A 17 -5.983 -7.761 5.108 1.00 0.00 N ATOM 271 CD2 HIS A 17 -6.490 -8.737 3.201 1.00 0.00 C ATOM 272 CE1 HIS A 17 -7.142 -8.427 5.244 1.00 0.00 C ATOM 273 NE2 HIS A 17 -7.498 -9.040 4.111 1.00 0.00 N ATOM 0 H HIS A 17 -5.269 -5.234 1.951 1.00 0.00 H new ATOM 0 HA HIS A 17 -4.422 -5.773 4.778 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -4.218 -7.415 2.212 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -3.409 -7.868 3.699 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -6.455 -9.074 2.176 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -7.716 -8.463 6.158 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -8.330 -9.608 3.948 1.00 0.00 H new ATOM 281 N PHE A 18 -2.330 -4.425 4.267 1.00 0.00 N ATOM 282 CA PHE A 18 -0.974 -3.848 4.048 1.00 0.00 C ATOM 283 C PHE A 18 0.092 -4.735 4.693 1.00 0.00 C ATOM 284 O PHE A 18 -0.006 -5.109 5.844 1.00 0.00 O ATOM 285 CB PHE A 18 -0.904 -2.461 4.679 1.00 0.00 C ATOM 286 CG PHE A 18 -1.592 -1.453 3.793 1.00 0.00 C ATOM 287 CD1 PHE A 18 -2.830 -1.750 3.207 1.00 0.00 C ATOM 288 CD2 PHE A 18 -0.997 -0.208 3.574 1.00 0.00 C ATOM 289 CE1 PHE A 18 -3.471 -0.801 2.407 1.00 0.00 C ATOM 290 CE2 PHE A 18 -1.635 0.739 2.769 1.00 0.00 C ATOM 291 CZ PHE A 18 -2.875 0.443 2.187 1.00 0.00 C ATOM 0 H PHE A 18 -2.823 -4.075 5.089 1.00 0.00 H new ATOM 0 HA PHE A 18 -0.791 -3.785 2.975 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -1.376 -2.476 5.661 1.00 0.00 H new ATOM 0 HB3 PHE A 18 0.137 -2.174 4.830 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -3.289 -2.713 3.374 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -0.044 0.022 4.027 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -4.427 -1.029 1.959 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -1.172 1.699 2.595 1.00 0.00 H new ATOM 0 HZ PHE A 18 -3.370 1.177 1.568 1.00 0.00 H new ATOM 301 N LYS A 19 1.122 -5.053 3.961 1.00 0.00 N ATOM 302 CA LYS A 19 2.213 -5.891 4.518 1.00 0.00 C ATOM 303 C LYS A 19 3.514 -5.517 3.809 1.00 0.00 C ATOM 304 O LYS A 19 3.660 -5.730 2.625 1.00 0.00 O ATOM 305 CB LYS A 19 1.901 -7.370 4.275 1.00 0.00 C ATOM 306 CG LYS A 19 2.704 -8.231 5.254 1.00 0.00 C ATOM 307 CD LYS A 19 2.037 -8.197 6.630 1.00 0.00 C ATOM 308 CE LYS A 19 1.844 -9.626 7.141 1.00 0.00 C ATOM 309 NZ LYS A 19 0.409 -9.847 7.472 1.00 0.00 N ATOM 0 H LYS A 19 1.254 -4.764 2.992 1.00 0.00 H new ATOM 0 HA LYS A 19 2.307 -5.723 5.591 1.00 0.00 H new ATOM 0 HB2 LYS A 19 0.834 -7.553 4.404 1.00 0.00 H new ATOM 0 HB3 LYS A 19 2.149 -7.641 3.249 1.00 0.00 H new ATOM 0 HG2 LYS A 19 2.760 -9.257 4.891 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.727 -7.862 5.325 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.651 -7.630 7.329 1.00 0.00 H new ATOM 0 HD3 LYS A 19 1.075 -7.689 6.567 1.00 0.00 H new ATOM 0 HE2 LYS A 19 2.168 -10.341 6.384 1.00 0.00 H new ATOM 0 HE3 LYS A 19 2.462 -9.794 8.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 0.278 -10.819 7.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 0.115 -9.174 8.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -0.170 -9.703 6.620 1.00 0.00 H new ATOM 323 N VAL A 20 4.459 -4.953 4.509 1.00 0.00 N ATOM 324 CA VAL A 20 5.732 -4.569 3.841 1.00 0.00 C ATOM 325 C VAL A 20 6.591 -5.817 3.659 1.00 0.00 C ATOM 326 O VAL A 20 7.069 -6.410 4.606 1.00 0.00 O ATOM 327 CB VAL A 20 6.465 -3.529 4.688 1.00 0.00 C ATOM 328 CG1 VAL A 20 7.881 -3.328 4.145 1.00 0.00 C ATOM 329 CG2 VAL A 20 5.697 -2.204 4.618 1.00 0.00 C ATOM 0 H VAL A 20 4.405 -4.743 5.506 1.00 0.00 H new ATOM 0 HA VAL A 20 5.525 -4.132 2.864 1.00 0.00 H new ATOM 0 HB VAL A 20 6.524 -3.870 5.721 1.00 0.00 H new ATOM 0 HG11 VAL A 20 8.401 -2.586 4.751 1.00 0.00 H new ATOM 0 HG12 VAL A 20 8.423 -4.273 4.184 1.00 0.00 H new ATOM 0 HG13 VAL A 20 7.829 -2.982 3.113 1.00 0.00 H new ATOM 0 HG21 VAL A 20 6.211 -1.454 5.219 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.646 -1.867 3.583 1.00 0.00 H new ATOM 0 HG23 VAL A 20 4.687 -2.348 5.003 1.00 0.00 H new ATOM 339 N LEU A 21 6.767 -6.224 2.434 1.00 0.00 N ATOM 340 CA LEU A 21 7.574 -7.448 2.151 1.00 0.00 C ATOM 341 C LEU A 21 9.032 -7.064 1.924 1.00 0.00 C ATOM 342 O LEU A 21 9.930 -7.859 2.117 1.00 0.00 O ATOM 343 CB LEU A 21 7.060 -8.174 0.892 1.00 0.00 C ATOM 344 CG LEU A 21 5.844 -7.473 0.280 1.00 0.00 C ATOM 345 CD1 LEU A 21 5.530 -8.118 -1.072 1.00 0.00 C ATOM 346 CD2 LEU A 21 4.643 -7.644 1.213 1.00 0.00 C ATOM 0 H LEU A 21 6.385 -5.760 1.610 1.00 0.00 H new ATOM 0 HA LEU A 21 7.483 -8.113 3.010 1.00 0.00 H new ATOM 0 HB2 LEU A 21 7.859 -8.226 0.152 1.00 0.00 H new ATOM 0 HB3 LEU A 21 6.796 -9.200 1.148 1.00 0.00 H new ATOM 0 HG LEU A 21 6.054 -6.412 0.145 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.665 -7.626 -1.517 1.00 0.00 H new ATOM 0 HD12 LEU A 21 6.389 -8.011 -1.734 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.312 -9.176 -0.928 1.00 0.00 H new ATOM 0 HD21 LEU A 21 3.774 -7.147 0.782 1.00 0.00 H new ATOM 0 HD22 LEU A 21 4.428 -8.705 1.339 1.00 0.00 H new ATOM 0 HD23 LEU A 21 4.870 -7.202 2.183 1.00 0.00 H new ATOM 358 N ARG A 22 9.277 -5.858 1.506 1.00 0.00 N ATOM 359 CA ARG A 22 10.682 -5.440 1.256 1.00 0.00 C ATOM 360 C ARG A 22 10.955 -4.114 1.959 1.00 0.00 C ATOM 361 O ARG A 22 10.049 -3.369 2.278 1.00 0.00 O ATOM 362 CB ARG A 22 10.898 -5.277 -0.248 1.00 0.00 C ATOM 363 CG ARG A 22 10.715 -6.629 -0.940 1.00 0.00 C ATOM 364 CD ARG A 22 11.624 -6.700 -2.170 1.00 0.00 C ATOM 365 NE ARG A 22 12.656 -7.760 -1.977 1.00 0.00 N ATOM 366 CZ ARG A 22 13.166 -7.973 -0.793 1.00 0.00 C ATOM 367 NH1 ARG A 22 14.154 -7.237 -0.363 1.00 0.00 N ATOM 368 NH2 ARG A 22 12.684 -8.924 -0.041 1.00 0.00 N ATOM 0 H ARG A 22 8.570 -5.145 1.327 1.00 0.00 H new ATOM 0 HA ARG A 22 11.363 -6.198 1.643 1.00 0.00 H new ATOM 0 HB2 ARG A 22 10.191 -4.552 -0.651 1.00 0.00 H new ATOM 0 HB3 ARG A 22 11.898 -4.889 -0.443 1.00 0.00 H new ATOM 0 HG2 ARG A 22 10.955 -7.438 -0.250 1.00 0.00 H new ATOM 0 HG3 ARG A 22 9.674 -6.760 -1.236 1.00 0.00 H new ATOM 0 HD2 ARG A 22 11.031 -6.915 -3.059 1.00 0.00 H new ATOM 0 HD3 ARG A 22 12.106 -5.736 -2.333 1.00 0.00 H new ATOM 0 HE ARG A 22 12.964 -8.320 -2.772 1.00 0.00 H new ATOM 0 HH11 ARG A 22 14.530 -6.493 -0.952 1.00 0.00 H new ATOM 0 HH12 ARG A 22 14.550 -7.405 0.562 1.00 0.00 H new ATOM 0 HH21 ARG A 22 11.911 -9.499 -0.378 1.00 0.00 H new ATOM 0 HH22 ARG A 22 13.080 -9.093 0.884 1.00 0.00 H new ATOM 499 N ASN A 31 14.141 1.612 -2.183 1.00 0.00 N ATOM 500 CA ASN A 31 12.651 1.611 -2.185 1.00 0.00 C ATOM 501 C ASN A 31 12.096 0.681 -1.105 1.00 0.00 C ATOM 502 O ASN A 31 12.822 0.015 -0.396 1.00 0.00 O ATOM 503 CB ASN A 31 12.161 1.116 -3.541 1.00 0.00 C ATOM 504 CG ASN A 31 12.741 1.996 -4.651 1.00 0.00 C ATOM 505 OD1 ASN A 31 13.755 1.668 -5.235 1.00 0.00 O ATOM 506 ND2 ASN A 31 12.137 3.109 -4.969 1.00 0.00 N ATOM 0 HA ASN A 31 12.307 2.626 -1.987 1.00 0.00 H new ATOM 0 HB2 ASN A 31 12.462 0.079 -3.691 1.00 0.00 H new ATOM 0 HB3 ASN A 31 11.072 1.140 -3.576 1.00 0.00 H new ATOM 0 HD21 ASN A 31 12.516 3.702 -5.707 1.00 0.00 H new ATOM 0 HD22 ASN A 31 11.286 3.385 -4.479 1.00 0.00 H new ATOM 513 N PHE A 32 10.795 0.634 -1.002 1.00 0.00 N ATOM 514 CA PHE A 32 10.128 -0.245 -0.003 1.00 0.00 C ATOM 515 C PHE A 32 8.892 -0.860 -0.660 1.00 0.00 C ATOM 516 O PHE A 32 7.972 -0.155 -1.038 1.00 0.00 O ATOM 517 CB PHE A 32 9.686 0.587 1.200 1.00 0.00 C ATOM 518 CG PHE A 32 10.806 0.672 2.202 1.00 0.00 C ATOM 519 CD1 PHE A 32 11.976 1.367 1.880 1.00 0.00 C ATOM 520 CD2 PHE A 32 10.674 0.059 3.452 1.00 0.00 C ATOM 521 CE1 PHE A 32 13.018 1.448 2.812 1.00 0.00 C ATOM 522 CE2 PHE A 32 11.715 0.139 4.383 1.00 0.00 C ATOM 523 CZ PHE A 32 12.888 0.834 4.063 1.00 0.00 C ATOM 0 H PHE A 32 10.156 1.179 -1.580 1.00 0.00 H new ATOM 0 HA PHE A 32 10.817 -1.022 0.329 1.00 0.00 H new ATOM 0 HB2 PHE A 32 9.399 1.587 0.876 1.00 0.00 H new ATOM 0 HB3 PHE A 32 8.807 0.137 1.661 1.00 0.00 H new ATOM 0 HD1 PHE A 32 12.076 1.840 0.914 1.00 0.00 H new ATOM 0 HD2 PHE A 32 9.769 -0.476 3.698 1.00 0.00 H new ATOM 0 HE1 PHE A 32 13.922 1.984 2.565 1.00 0.00 H new ATOM 0 HE2 PHE A 32 11.614 -0.335 5.348 1.00 0.00 H new ATOM 0 HZ PHE A 32 13.692 0.896 4.781 1.00 0.00 H new ATOM 533 N ILE A 33 8.845 -2.158 -0.800 1.00 0.00 N ATOM 534 CA ILE A 33 7.654 -2.778 -1.432 1.00 0.00 C ATOM 535 C ILE A 33 6.644 -3.116 -0.346 1.00 0.00 C ATOM 536 O ILE A 33 6.929 -3.847 0.582 1.00 0.00 O ATOM 537 CB ILE A 33 8.051 -4.053 -2.175 1.00 0.00 C ATOM 538 CG1 ILE A 33 9.437 -3.878 -2.805 1.00 0.00 C ATOM 539 CG2 ILE A 33 7.026 -4.340 -3.274 1.00 0.00 C ATOM 540 CD1 ILE A 33 9.340 -2.934 -4.001 1.00 0.00 C ATOM 0 H ILE A 33 9.575 -2.807 -0.506 1.00 0.00 H new ATOM 0 HA ILE A 33 7.218 -2.080 -2.147 1.00 0.00 H new ATOM 0 HB ILE A 33 8.079 -4.885 -1.472 1.00 0.00 H new ATOM 0 HG12 ILE A 33 10.134 -3.478 -2.069 1.00 0.00 H new ATOM 0 HG13 ILE A 33 9.828 -4.845 -3.122 1.00 0.00 H new ATOM 0 HG21 ILE A 33 7.307 -5.249 -3.805 1.00 0.00 H new ATOM 0 HG22 ILE A 33 6.040 -4.471 -2.827 1.00 0.00 H new ATOM 0 HG23 ILE A 33 6.999 -3.505 -3.974 1.00 0.00 H new ATOM 0 HD11 ILE A 33 10.326 -2.810 -4.448 1.00 0.00 H new ATOM 0 HD12 ILE A 33 8.656 -3.352 -4.740 1.00 0.00 H new ATOM 0 HD13 ILE A 33 8.968 -1.964 -3.670 1.00 0.00 H new ATOM 552 N THR A 34 5.465 -2.589 -0.455 1.00 0.00 N ATOM 553 CA THR A 34 4.429 -2.876 0.566 1.00 0.00 C ATOM 554 C THR A 34 3.208 -3.456 -0.129 1.00 0.00 C ATOM 555 O THR A 34 2.512 -2.772 -0.845 1.00 0.00 O ATOM 556 CB THR A 34 4.045 -1.584 1.295 1.00 0.00 C ATOM 557 OG1 THR A 34 5.095 -1.209 2.174 1.00 0.00 O ATOM 558 CG2 THR A 34 2.760 -1.807 2.099 1.00 0.00 C ATOM 0 H THR A 34 5.171 -1.969 -1.210 1.00 0.00 H new ATOM 0 HA THR A 34 4.815 -3.589 1.295 1.00 0.00 H new ATOM 0 HB THR A 34 3.879 -0.792 0.565 1.00 0.00 H new ATOM 0 HG1 THR A 34 5.932 -1.624 1.879 1.00 0.00 H new ATOM 0 HG21 THR A 34 2.490 -0.886 2.616 1.00 0.00 H new ATOM 0 HG22 THR A 34 1.954 -2.094 1.424 1.00 0.00 H new ATOM 0 HG23 THR A 34 2.921 -2.600 2.830 1.00 0.00 H new ATOM 566 N ALA A 35 2.951 -4.716 0.070 1.00 0.00 N ATOM 567 CA ALA A 35 1.779 -5.348 -0.593 1.00 0.00 C ATOM 568 C ALA A 35 0.500 -4.933 0.125 1.00 0.00 C ATOM 569 O ALA A 35 0.314 -5.210 1.289 1.00 0.00 O ATOM 570 CB ALA A 35 1.924 -6.856 -0.504 1.00 0.00 C ATOM 0 H ALA A 35 3.502 -5.336 0.663 1.00 0.00 H new ATOM 0 HA ALA A 35 1.732 -5.031 -1.635 1.00 0.00 H new ATOM 0 HB1 ALA A 35 1.071 -7.333 -0.987 1.00 0.00 H new ATOM 0 HB2 ALA A 35 2.842 -7.163 -1.004 1.00 0.00 H new ATOM 0 HB3 ALA A 35 1.963 -7.157 0.543 1.00 0.00 H new ATOM 576 N CYS A 36 -0.390 -4.273 -0.559 1.00 0.00 N ATOM 577 CA CYS A 36 -1.651 -3.846 0.102 1.00 0.00 C ATOM 578 C CYS A 36 -2.827 -4.423 -0.687 1.00 0.00 C ATOM 579 O CYS A 36 -3.032 -4.096 -1.836 1.00 0.00 O ATOM 580 CB CYS A 36 -1.735 -2.308 0.150 1.00 0.00 C ATOM 581 SG CYS A 36 -0.399 -1.554 -0.823 1.00 0.00 S ATOM 0 H CYS A 36 -0.300 -4.012 -1.541 1.00 0.00 H new ATOM 0 HA CYS A 36 -1.678 -4.214 1.128 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -2.700 -1.981 -0.236 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -1.673 -1.969 1.184 1.00 0.00 H new ATOM 0 HG CYS A 36 -0.715 -1.576 -2.084 1.00 0.00 H new ATOM 587 N ILE A 37 -3.574 -5.312 -0.090 1.00 0.00 N ATOM 588 CA ILE A 37 -4.707 -5.946 -0.826 1.00 0.00 C ATOM 589 C ILE A 37 -5.923 -5.026 -0.883 1.00 0.00 C ATOM 590 O ILE A 37 -6.335 -4.457 0.118 1.00 0.00 O ATOM 591 CB ILE A 37 -5.083 -7.284 -0.146 1.00 0.00 C ATOM 592 CG1 ILE A 37 -5.426 -8.316 -1.219 1.00 0.00 C ATOM 593 CG2 ILE A 37 -6.297 -7.145 0.801 1.00 0.00 C ATOM 594 CD1 ILE A 37 -6.830 -8.052 -1.756 1.00 0.00 C ATOM 0 H ILE A 37 -3.450 -5.626 0.872 1.00 0.00 H new ATOM 0 HA ILE A 37 -4.386 -6.133 -1.851 1.00 0.00 H new ATOM 0 HB ILE A 37 -4.224 -7.597 0.447 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -4.700 -8.266 -2.031 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -5.369 -9.321 -0.802 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -6.519 -8.112 1.252 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -6.066 -6.423 1.585 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -7.163 -6.801 0.235 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -7.072 -8.790 -2.521 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -7.551 -8.125 -0.941 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -6.872 -7.053 -2.189 1.00 0.00 H new ATOM 606 N VAL A 38 -6.515 -4.938 -2.053 1.00 0.00 N ATOM 607 CA VAL A 38 -7.741 -4.134 -2.261 1.00 0.00 C ATOM 608 C VAL A 38 -8.730 -5.002 -3.052 1.00 0.00 C ATOM 609 O VAL A 38 -8.341 -5.829 -3.855 1.00 0.00 O ATOM 610 CB VAL A 38 -7.393 -2.855 -3.041 1.00 0.00 C ATOM 611 CG1 VAL A 38 -8.482 -2.529 -4.068 1.00 0.00 C ATOM 612 CG2 VAL A 38 -7.274 -1.699 -2.053 1.00 0.00 C ATOM 0 H VAL A 38 -6.179 -5.410 -2.893 1.00 0.00 H new ATOM 0 HA VAL A 38 -8.183 -3.836 -1.310 1.00 0.00 H new ATOM 0 HB VAL A 38 -6.453 -3.007 -3.571 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.214 -1.620 -4.607 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -8.576 -3.355 -4.773 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -9.432 -2.379 -3.556 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -7.027 -0.784 -2.592 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -8.221 -1.568 -1.530 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -6.488 -1.918 -1.330 1.00 0.00 H new ATOM 622 N GLY A 39 -10.000 -4.820 -2.835 1.00 0.00 N ATOM 623 CA GLY A 39 -11.002 -5.635 -3.578 1.00 0.00 C ATOM 624 C GLY A 39 -10.573 -7.102 -3.582 1.00 0.00 C ATOM 625 O GLY A 39 -10.359 -7.701 -2.546 1.00 0.00 O ATOM 0 H GLY A 39 -10.389 -4.144 -2.177 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -11.983 -5.534 -3.114 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -11.095 -5.271 -4.601 1.00 0.00 H new ATOM 629 N SER A 40 -10.447 -7.690 -4.741 1.00 0.00 N ATOM 630 CA SER A 40 -10.035 -9.120 -4.811 1.00 0.00 C ATOM 631 C SER A 40 -8.637 -9.221 -5.422 1.00 0.00 C ATOM 632 O SER A 40 -8.150 -10.297 -5.707 1.00 0.00 O ATOM 633 CB SER A 40 -11.026 -9.897 -5.677 1.00 0.00 C ATOM 634 OG SER A 40 -10.454 -11.149 -6.033 1.00 0.00 O ATOM 0 H SER A 40 -10.612 -7.241 -5.642 1.00 0.00 H new ATOM 0 HA SER A 40 -10.023 -9.541 -3.806 1.00 0.00 H new ATOM 0 HB2 SER A 40 -11.959 -10.051 -5.134 1.00 0.00 H new ATOM 0 HB3 SER A 40 -11.269 -9.327 -6.573 1.00 0.00 H new ATOM 0 HG SER A 40 -9.628 -11.288 -5.524 1.00 0.00 H new ATOM 640 N ILE A 41 -7.983 -8.109 -5.620 1.00 0.00 N ATOM 641 CA ILE A 41 -6.614 -8.146 -6.206 1.00 0.00 C ATOM 642 C ILE A 41 -5.661 -7.395 -5.278 1.00 0.00 C ATOM 643 O ILE A 41 -6.053 -6.469 -4.596 1.00 0.00 O ATOM 644 CB ILE A 41 -6.602 -7.483 -7.591 1.00 0.00 C ATOM 645 CG1 ILE A 41 -7.886 -6.673 -7.804 1.00 0.00 C ATOM 646 CG2 ILE A 41 -6.501 -8.562 -8.671 1.00 0.00 C ATOM 647 CD1 ILE A 41 -7.878 -5.450 -6.884 1.00 0.00 C ATOM 0 H ILE A 41 -8.337 -7.178 -5.401 1.00 0.00 H new ATOM 0 HA ILE A 41 -6.299 -9.184 -6.314 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.744 -6.813 -7.654 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -7.961 -6.358 -8.845 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -8.758 -7.293 -7.595 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -6.492 -8.093 -9.655 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -5.582 -9.131 -8.532 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -7.357 -9.233 -8.597 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -8.791 -4.874 -7.036 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -7.823 -5.776 -5.845 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -7.014 -4.827 -7.115 1.00 0.00 H new ATOM 659 N VAL A 42 -4.417 -7.782 -5.239 1.00 0.00 N ATOM 660 CA VAL A 42 -3.466 -7.073 -4.342 1.00 0.00 C ATOM 661 C VAL A 42 -2.571 -6.147 -5.148 1.00 0.00 C ATOM 662 O VAL A 42 -2.102 -6.478 -6.218 1.00 0.00 O ATOM 663 CB VAL A 42 -2.559 -8.063 -3.616 1.00 0.00 C ATOM 664 CG1 VAL A 42 -2.171 -7.491 -2.252 1.00 0.00 C ATOM 665 CG2 VAL A 42 -3.280 -9.402 -3.439 1.00 0.00 C ATOM 0 H VAL A 42 -4.022 -8.549 -5.783 1.00 0.00 H new ATOM 0 HA VAL A 42 -4.060 -6.509 -3.623 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.658 -8.227 -4.207 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -1.523 -8.197 -1.732 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -1.643 -6.548 -2.390 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -3.070 -7.320 -1.660 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.625 -10.102 -2.920 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.187 -9.252 -2.854 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.541 -9.806 -4.417 1.00 0.00 H new ATOM 675 N THR A 43 -2.294 -5.010 -4.601 1.00 0.00 N ATOM 676 CA THR A 43 -1.378 -4.056 -5.276 1.00 0.00 C ATOM 677 C THR A 43 -0.379 -3.569 -4.227 1.00 0.00 C ATOM 678 O THR A 43 -0.738 -2.931 -3.255 1.00 0.00 O ATOM 679 CB THR A 43 -2.143 -2.864 -5.880 1.00 0.00 C ATOM 680 OG1 THR A 43 -1.854 -1.688 -5.139 1.00 0.00 O ATOM 681 CG2 THR A 43 -3.651 -3.123 -5.860 1.00 0.00 C ATOM 0 H THR A 43 -2.664 -4.692 -3.705 1.00 0.00 H new ATOM 0 HA THR A 43 -0.870 -4.553 -6.103 1.00 0.00 H new ATOM 0 HB THR A 43 -1.825 -2.736 -6.915 1.00 0.00 H new ATOM 0 HG1 THR A 43 -2.006 -1.856 -4.186 1.00 0.00 H new ATOM 0 HG21 THR A 43 -4.173 -2.269 -6.291 1.00 0.00 H new ATOM 0 HG22 THR A 43 -3.874 -4.017 -6.443 1.00 0.00 H new ATOM 0 HG23 THR A 43 -3.982 -3.269 -4.832 1.00 0.00 H new ATOM 689 N GLU A 44 0.867 -3.899 -4.384 1.00 0.00 N ATOM 690 CA GLU A 44 1.866 -3.471 -3.372 1.00 0.00 C ATOM 691 C GLU A 44 2.307 -2.041 -3.656 1.00 0.00 C ATOM 692 O GLU A 44 1.700 -1.335 -4.434 1.00 0.00 O ATOM 693 CB GLU A 44 3.090 -4.390 -3.406 1.00 0.00 C ATOM 694 CG GLU A 44 2.656 -5.844 -3.612 1.00 0.00 C ATOM 695 CD GLU A 44 3.653 -6.550 -4.533 1.00 0.00 C ATOM 696 OE1 GLU A 44 4.657 -7.027 -4.030 1.00 0.00 O ATOM 697 OE2 GLU A 44 3.395 -6.602 -5.724 1.00 0.00 O ATOM 0 H GLU A 44 1.237 -4.443 -5.164 1.00 0.00 H new ATOM 0 HA GLU A 44 1.405 -3.527 -2.386 1.00 0.00 H new ATOM 0 HB2 GLU A 44 3.760 -4.086 -4.210 1.00 0.00 H new ATOM 0 HB3 GLU A 44 3.648 -4.298 -2.474 1.00 0.00 H new ATOM 0 HG2 GLU A 44 2.604 -6.358 -2.652 1.00 0.00 H new ATOM 0 HG3 GLU A 44 1.657 -5.878 -4.046 1.00 0.00 H new ATOM 704 N GLY A 45 3.355 -1.603 -3.018 1.00 0.00 N ATOM 705 CA GLY A 45 3.824 -0.205 -3.249 1.00 0.00 C ATOM 706 C GLY A 45 5.328 -0.095 -3.008 1.00 0.00 C ATOM 707 O GLY A 45 5.800 -0.187 -1.893 1.00 0.00 O ATOM 0 H GLY A 45 3.905 -2.145 -2.352 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.591 0.098 -4.270 1.00 0.00 H new ATOM 0 HA3 GLY A 45 3.293 0.477 -2.585 1.00 0.00 H new ATOM 711 N GLU A 46 6.082 0.114 -4.046 1.00 0.00 N ATOM 712 CA GLU A 46 7.554 0.238 -3.880 1.00 0.00 C ATOM 713 C GLU A 46 7.920 1.676 -3.496 1.00 0.00 C ATOM 714 O GLU A 46 8.584 2.376 -4.234 1.00 0.00 O ATOM 715 CB GLU A 46 8.250 -0.153 -5.185 1.00 0.00 C ATOM 716 CG GLU A 46 7.448 0.339 -6.397 1.00 0.00 C ATOM 717 CD GLU A 46 7.058 1.807 -6.208 1.00 0.00 C ATOM 718 OE1 GLU A 46 7.902 2.657 -6.437 1.00 0.00 O ATOM 719 OE2 GLU A 46 5.921 2.056 -5.840 1.00 0.00 O ATOM 0 H GLU A 46 5.743 0.205 -5.004 1.00 0.00 H new ATOM 0 HA GLU A 46 7.884 -0.430 -3.084 1.00 0.00 H new ATOM 0 HB2 GLU A 46 9.253 0.273 -5.209 1.00 0.00 H new ATOM 0 HB3 GLU A 46 8.362 -1.236 -5.233 1.00 0.00 H new ATOM 0 HG2 GLU A 46 8.040 0.226 -7.305 1.00 0.00 H new ATOM 0 HG3 GLU A 46 6.553 -0.270 -6.522 1.00 0.00 H new ATOM 726 N GLY A 47 7.490 2.121 -2.343 1.00 0.00 N ATOM 727 CA GLY A 47 7.814 3.514 -1.903 1.00 0.00 C ATOM 728 C GLY A 47 9.310 3.802 -2.096 1.00 0.00 C ATOM 729 O GLY A 47 10.060 2.969 -2.565 1.00 0.00 O ATOM 0 H GLY A 47 6.928 1.580 -1.686 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.223 4.229 -2.474 1.00 0.00 H new ATOM 0 HA3 GLY A 47 7.545 3.643 -0.855 1.00 0.00 H new ATOM 798 N VAL A 52 8.681 5.656 4.283 1.00 0.00 N ATOM 799 CA VAL A 52 7.701 5.381 3.197 1.00 0.00 C ATOM 800 C VAL A 52 7.265 3.910 3.267 1.00 0.00 C ATOM 801 O VAL A 52 7.252 3.317 4.327 1.00 0.00 O ATOM 802 CB VAL A 52 8.366 5.695 1.847 1.00 0.00 C ATOM 803 CG1 VAL A 52 9.193 4.496 1.371 1.00 0.00 C ATOM 804 CG2 VAL A 52 7.293 6.029 0.807 1.00 0.00 C ATOM 0 HA VAL A 52 6.815 6.005 3.310 1.00 0.00 H new ATOM 0 HB VAL A 52 9.028 6.552 1.972 1.00 0.00 H new ATOM 0 HG11 VAL A 52 9.658 4.732 0.414 1.00 0.00 H new ATOM 0 HG12 VAL A 52 9.967 4.273 2.106 1.00 0.00 H new ATOM 0 HG13 VAL A 52 8.543 3.629 1.254 1.00 0.00 H new ATOM 0 HG21 VAL A 52 7.769 6.251 -0.148 1.00 0.00 H new ATOM 0 HG22 VAL A 52 6.623 5.178 0.689 1.00 0.00 H new ATOM 0 HG23 VAL A 52 6.723 6.897 1.138 1.00 0.00 H new ATOM 814 N SER A 53 6.911 3.326 2.148 1.00 0.00 N ATOM 815 CA SER A 53 6.474 1.899 2.128 1.00 0.00 C ATOM 816 C SER A 53 4.992 1.808 2.475 1.00 0.00 C ATOM 817 O SER A 53 4.199 1.301 1.712 1.00 0.00 O ATOM 818 CB SER A 53 7.285 1.084 3.134 1.00 0.00 C ATOM 819 OG SER A 53 6.615 1.087 4.389 1.00 0.00 O ATOM 0 H SER A 53 6.907 3.785 1.237 1.00 0.00 H new ATOM 0 HA SER A 53 6.639 1.496 1.129 1.00 0.00 H new ATOM 0 HB2 SER A 53 7.408 0.062 2.777 1.00 0.00 H new ATOM 0 HB3 SER A 53 8.284 1.507 3.241 1.00 0.00 H new ATOM 0 HG SER A 53 6.923 1.849 4.923 1.00 0.00 H new ATOM 825 N LYS A 54 4.612 2.293 3.619 1.00 0.00 N ATOM 826 CA LYS A 54 3.178 2.234 4.014 1.00 0.00 C ATOM 827 C LYS A 54 2.408 3.332 3.280 1.00 0.00 C ATOM 828 O LYS A 54 1.358 3.096 2.709 1.00 0.00 O ATOM 829 CB LYS A 54 3.055 2.440 5.527 1.00 0.00 C ATOM 830 CG LYS A 54 3.504 3.858 5.890 1.00 0.00 C ATOM 831 CD LYS A 54 3.627 3.984 7.410 1.00 0.00 C ATOM 832 CE LYS A 54 2.581 4.974 7.925 1.00 0.00 C ATOM 833 NZ LYS A 54 2.720 5.120 9.402 1.00 0.00 N ATOM 0 H LYS A 54 5.232 2.729 4.301 1.00 0.00 H new ATOM 0 HA LYS A 54 2.764 1.261 3.750 1.00 0.00 H new ATOM 0 HB2 LYS A 54 2.024 2.282 5.843 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.666 1.708 6.055 1.00 0.00 H new ATOM 0 HG2 LYS A 54 4.461 4.079 5.418 1.00 0.00 H new ATOM 0 HG3 LYS A 54 2.786 4.586 5.512 1.00 0.00 H new ATOM 0 HD2 LYS A 54 3.484 3.011 7.879 1.00 0.00 H new ATOM 0 HD3 LYS A 54 4.628 4.323 7.678 1.00 0.00 H new ATOM 0 HE2 LYS A 54 2.710 5.941 7.439 1.00 0.00 H new ATOM 0 HE3 LYS A 54 1.579 4.624 7.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 2.009 5.793 9.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 2.576 4.196 9.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.672 5.473 9.628 1.00 0.00 H new ATOM 847 N LYS A 55 2.926 4.529 3.282 1.00 0.00 N ATOM 848 CA LYS A 55 2.233 5.642 2.579 1.00 0.00 C ATOM 849 C LYS A 55 2.241 5.363 1.077 1.00 0.00 C ATOM 850 O LYS A 55 1.272 5.606 0.384 1.00 0.00 O ATOM 851 CB LYS A 55 2.971 6.955 2.861 1.00 0.00 C ATOM 852 CG LYS A 55 2.354 8.082 2.028 1.00 0.00 C ATOM 853 CD LYS A 55 3.448 9.064 1.608 1.00 0.00 C ATOM 854 CE LYS A 55 2.822 10.233 0.846 1.00 0.00 C ATOM 855 NZ LYS A 55 2.406 9.775 -0.510 1.00 0.00 N ATOM 0 H LYS A 55 3.801 4.784 3.741 1.00 0.00 H new ATOM 0 HA LYS A 55 1.205 5.722 2.932 1.00 0.00 H new ATOM 0 HB2 LYS A 55 2.909 7.198 3.922 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.029 6.848 2.620 1.00 0.00 H new ATOM 0 HG2 LYS A 55 1.863 7.670 1.147 1.00 0.00 H new ATOM 0 HG3 LYS A 55 1.589 8.599 2.607 1.00 0.00 H new ATOM 0 HD2 LYS A 55 3.978 9.431 2.487 1.00 0.00 H new ATOM 0 HD3 LYS A 55 4.183 8.559 0.981 1.00 0.00 H new ATOM 0 HE2 LYS A 55 1.961 10.618 1.392 1.00 0.00 H new ATOM 0 HE3 LYS A 55 3.537 11.051 0.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 2.970 10.269 -1.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 2.560 8.750 -0.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 1.398 9.986 -0.654 1.00 0.00 H new ATOM 869 N ARG A 56 3.328 4.850 0.569 1.00 0.00 N ATOM 870 CA ARG A 56 3.396 4.553 -0.887 1.00 0.00 C ATOM 871 C ARG A 56 2.445 3.404 -1.216 1.00 0.00 C ATOM 872 O ARG A 56 1.704 3.461 -2.172 1.00 0.00 O ATOM 873 CB ARG A 56 4.820 4.154 -1.269 1.00 0.00 C ATOM 874 CG ARG A 56 4.954 4.194 -2.792 1.00 0.00 C ATOM 875 CD ARG A 56 5.445 5.579 -3.219 1.00 0.00 C ATOM 876 NE ARG A 56 4.545 6.124 -4.277 1.00 0.00 N ATOM 877 CZ ARG A 56 4.058 5.336 -5.194 1.00 0.00 C ATOM 878 NH1 ARG A 56 4.812 4.944 -6.185 1.00 0.00 N ATOM 879 NH2 ARG A 56 2.816 4.940 -5.123 1.00 0.00 N ATOM 0 H ARG A 56 4.170 4.625 1.099 1.00 0.00 H new ATOM 0 HA ARG A 56 3.108 5.442 -1.448 1.00 0.00 H new ATOM 0 HB2 ARG A 56 5.538 4.833 -0.809 1.00 0.00 H new ATOM 0 HB3 ARG A 56 5.044 3.154 -0.897 1.00 0.00 H new ATOM 0 HG2 ARG A 56 5.653 3.428 -3.128 1.00 0.00 H new ATOM 0 HG3 ARG A 56 3.994 3.976 -3.259 1.00 0.00 H new ATOM 0 HD2 ARG A 56 5.462 6.251 -2.361 1.00 0.00 H new ATOM 0 HD3 ARG A 56 6.466 5.514 -3.594 1.00 0.00 H new ATOM 0 HE ARG A 56 4.310 7.117 -4.283 1.00 0.00 H new ATOM 0 HH11 ARG A 56 5.782 5.254 -6.242 1.00 0.00 H new ATOM 0 HH12 ARG A 56 4.431 4.327 -6.903 1.00 0.00 H new ATOM 0 HH21 ARG A 56 2.226 5.247 -4.350 1.00 0.00 H new ATOM 0 HH22 ARG A 56 2.435 4.323 -5.841 1.00 0.00 H new ATOM 893 N ALA A 57 2.466 2.360 -0.437 1.00 0.00 N ATOM 894 CA ALA A 57 1.562 1.213 -0.713 1.00 0.00 C ATOM 895 C ALA A 57 0.111 1.713 -0.745 1.00 0.00 C ATOM 896 O ALA A 57 -0.588 1.553 -1.728 1.00 0.00 O ATOM 897 CB ALA A 57 1.721 0.144 0.379 1.00 0.00 C ATOM 0 H ALA A 57 3.070 2.252 0.378 1.00 0.00 H new ATOM 0 HA ALA A 57 1.819 0.771 -1.676 1.00 0.00 H new ATOM 0 HB1 ALA A 57 1.055 -0.693 0.169 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.752 -0.208 0.396 1.00 0.00 H new ATOM 0 HB3 ALA A 57 1.469 0.574 1.348 1.00 0.00 H new ATOM 903 N ALA A 58 -0.349 2.316 0.323 1.00 0.00 N ATOM 904 CA ALA A 58 -1.756 2.819 0.351 1.00 0.00 C ATOM 905 C ALA A 58 -2.021 3.720 -0.855 1.00 0.00 C ATOM 906 O ALA A 58 -3.006 3.558 -1.550 1.00 0.00 O ATOM 907 CB ALA A 58 -2.007 3.605 1.640 1.00 0.00 C ATOM 0 H ALA A 58 0.188 2.481 1.174 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.430 1.963 0.312 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -3.035 3.967 1.651 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.842 2.956 2.500 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -1.323 4.452 1.688 1.00 0.00 H new ATOM 913 N GLU A 59 -1.160 4.665 -1.123 1.00 0.00 N ATOM 914 CA GLU A 59 -1.400 5.539 -2.301 1.00 0.00 C ATOM 915 C GLU A 59 -1.564 4.638 -3.515 1.00 0.00 C ATOM 916 O GLU A 59 -2.349 4.899 -4.396 1.00 0.00 O ATOM 917 CB GLU A 59 -0.212 6.474 -2.531 1.00 0.00 C ATOM 918 CG GLU A 59 -0.445 7.791 -1.788 1.00 0.00 C ATOM 919 CD GLU A 59 0.052 8.953 -2.647 1.00 0.00 C ATOM 920 OE1 GLU A 59 1.246 9.212 -2.626 1.00 0.00 O ATOM 921 OE2 GLU A 59 -0.766 9.567 -3.311 1.00 0.00 O ATOM 0 H GLU A 59 -0.316 4.866 -0.586 1.00 0.00 H new ATOM 0 HA GLU A 59 -2.289 6.148 -2.134 1.00 0.00 H new ATOM 0 HB2 GLU A 59 0.707 6.004 -2.180 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -0.086 6.663 -3.597 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -1.505 7.915 -1.568 1.00 0.00 H new ATOM 0 HG3 GLU A 59 0.080 7.780 -0.833 1.00 0.00 H new ATOM 928 N LYS A 60 -0.830 3.564 -3.549 1.00 0.00 N ATOM 929 CA LYS A 60 -0.934 2.618 -4.688 1.00 0.00 C ATOM 930 C LYS A 60 -2.337 2.013 -4.689 1.00 0.00 C ATOM 931 O LYS A 60 -2.922 1.767 -5.725 1.00 0.00 O ATOM 932 CB LYS A 60 0.112 1.513 -4.513 1.00 0.00 C ATOM 933 CG LYS A 60 0.478 0.931 -5.881 1.00 0.00 C ATOM 934 CD LYS A 60 0.934 2.055 -6.813 1.00 0.00 C ATOM 935 CE LYS A 60 1.768 1.466 -7.953 1.00 0.00 C ATOM 936 NZ LYS A 60 0.860 0.948 -9.016 1.00 0.00 N ATOM 0 H LYS A 60 -0.157 3.300 -2.830 1.00 0.00 H new ATOM 0 HA LYS A 60 -0.757 3.133 -5.632 1.00 0.00 H new ATOM 0 HB2 LYS A 60 1.002 1.914 -4.027 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -0.278 0.728 -3.865 1.00 0.00 H new ATOM 0 HG2 LYS A 60 1.271 0.191 -5.772 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -0.382 0.416 -6.310 1.00 0.00 H new ATOM 0 HD2 LYS A 60 0.069 2.581 -7.216 1.00 0.00 H new ATOM 0 HD3 LYS A 60 1.522 2.786 -6.258 1.00 0.00 H new ATOM 0 HE2 LYS A 60 2.430 2.228 -8.365 1.00 0.00 H new ATOM 0 HE3 LYS A 60 2.401 0.662 -7.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 1.426 0.548 -9.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 0.246 0.209 -8.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 0.274 1.726 -9.381 1.00 0.00 H new ATOM 950 N MET A 61 -2.876 1.774 -3.525 1.00 0.00 N ATOM 951 CA MET A 61 -4.242 1.183 -3.426 1.00 0.00 C ATOM 952 C MET A 61 -5.306 2.217 -3.793 1.00 0.00 C ATOM 953 O MET A 61 -5.949 2.126 -4.819 1.00 0.00 O ATOM 954 CB MET A 61 -4.490 0.726 -1.991 1.00 0.00 C ATOM 955 CG MET A 61 -3.276 -0.040 -1.491 1.00 0.00 C ATOM 956 SD MET A 61 -2.906 -1.374 -2.654 1.00 0.00 S ATOM 957 CE MET A 61 -4.527 -2.165 -2.603 1.00 0.00 C ATOM 0 H MET A 61 -2.425 1.964 -2.630 1.00 0.00 H new ATOM 0 HA MET A 61 -4.304 0.341 -4.116 1.00 0.00 H new ATOM 0 HB2 MET A 61 -4.680 1.587 -1.351 1.00 0.00 H new ATOM 0 HB3 MET A 61 -5.377 0.094 -1.947 1.00 0.00 H new ATOM 0 HG2 MET A 61 -2.420 0.628 -1.399 1.00 0.00 H new ATOM 0 HG3 MET A 61 -3.470 -0.448 -0.499 1.00 0.00 H new ATOM 0 HE1 MET A 61 -4.441 -3.193 -2.955 1.00 0.00 H new ATOM 0 HE2 MET A 61 -4.901 -2.162 -1.579 1.00 0.00 H new ATOM 0 HE3 MET A 61 -5.219 -1.618 -3.244 1.00 0.00 H new ATOM 967 N LEU A 62 -5.513 3.190 -2.946 1.00 0.00 N ATOM 968 CA LEU A 62 -6.557 4.214 -3.233 1.00 0.00 C ATOM 969 C LEU A 62 -6.365 4.734 -4.652 1.00 0.00 C ATOM 970 O LEU A 62 -7.308 4.900 -5.395 1.00 0.00 O ATOM 971 CB LEU A 62 -6.454 5.344 -2.212 1.00 0.00 C ATOM 972 CG LEU A 62 -6.633 4.811 -0.767 1.00 0.00 C ATOM 973 CD1 LEU A 62 -7.521 5.777 0.008 1.00 0.00 C ATOM 974 CD2 LEU A 62 -7.305 3.419 -0.716 1.00 0.00 C ATOM 0 H LEU A 62 -5.006 3.319 -2.071 1.00 0.00 H new ATOM 0 HA LEU A 62 -7.552 3.775 -3.155 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.485 5.834 -2.304 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -7.213 6.097 -2.421 1.00 0.00 H new ATOM 0 HG LEU A 62 -5.636 4.725 -0.335 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -7.654 5.412 1.026 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -7.053 6.761 0.033 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -8.493 5.850 -0.481 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -7.403 3.100 0.322 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -8.293 3.475 -1.173 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -6.694 2.700 -1.261 1.00 0.00 H new ATOM 986 N VAL A 63 -5.150 4.952 -5.056 1.00 0.00 N ATOM 987 CA VAL A 63 -4.919 5.415 -6.448 1.00 0.00 C ATOM 988 C VAL A 63 -5.349 4.287 -7.385 1.00 0.00 C ATOM 989 O VAL A 63 -5.955 4.507 -8.415 1.00 0.00 O ATOM 990 CB VAL A 63 -3.435 5.721 -6.643 1.00 0.00 C ATOM 991 CG1 VAL A 63 -3.167 6.044 -8.106 1.00 0.00 C ATOM 992 CG2 VAL A 63 -3.045 6.923 -5.780 1.00 0.00 C ATOM 0 H VAL A 63 -4.311 4.831 -4.488 1.00 0.00 H new ATOM 0 HA VAL A 63 -5.489 6.320 -6.657 1.00 0.00 H new ATOM 0 HB VAL A 63 -2.846 4.852 -6.349 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -2.108 6.262 -8.242 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -3.444 5.190 -8.724 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -3.757 6.912 -8.401 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -1.986 7.142 -5.918 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -3.637 7.790 -6.075 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.234 6.694 -4.731 1.00 0.00 H new ATOM 1002 N GLU A 64 -5.048 3.071 -7.012 1.00 0.00 N ATOM 1003 CA GLU A 64 -5.440 1.899 -7.845 1.00 0.00 C ATOM 1004 C GLU A 64 -6.936 1.978 -8.165 1.00 0.00 C ATOM 1005 O GLU A 64 -7.332 2.019 -9.313 1.00 0.00 O ATOM 1006 CB GLU A 64 -5.162 0.611 -7.066 1.00 0.00 C ATOM 1007 CG GLU A 64 -4.142 -0.237 -7.827 1.00 0.00 C ATOM 1008 CD GLU A 64 -4.869 -1.340 -8.600 1.00 0.00 C ATOM 1009 OE1 GLU A 64 -6.088 -1.369 -8.547 1.00 0.00 O ATOM 1010 OE2 GLU A 64 -4.194 -2.137 -9.231 1.00 0.00 O ATOM 0 H GLU A 64 -4.542 2.839 -6.157 1.00 0.00 H new ATOM 0 HA GLU A 64 -4.866 1.903 -8.772 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -4.783 0.849 -6.072 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.086 0.050 -6.929 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -3.573 0.389 -8.515 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -3.427 -0.677 -7.131 1.00 0.00 H new ATOM 1017 N LEU A 65 -7.771 1.984 -7.158 1.00 0.00 N ATOM 1018 CA LEU A 65 -9.244 2.046 -7.413 1.00 0.00 C ATOM 1019 C LEU A 65 -9.597 3.324 -8.181 1.00 0.00 C ATOM 1020 O LEU A 65 -10.419 3.306 -9.076 1.00 0.00 O ATOM 1021 CB LEU A 65 -10.040 2.016 -6.097 1.00 0.00 C ATOM 1022 CG LEU A 65 -9.192 2.542 -4.942 1.00 0.00 C ATOM 1023 CD1 LEU A 65 -10.075 3.326 -3.968 1.00 0.00 C ATOM 1024 CD2 LEU A 65 -8.557 1.359 -4.215 1.00 0.00 C ATOM 0 H LEU A 65 -7.500 1.949 -6.175 1.00 0.00 H new ATOM 0 HA LEU A 65 -9.512 1.172 -8.006 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -10.942 2.620 -6.198 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -10.362 0.997 -5.884 1.00 0.00 H new ATOM 0 HG LEU A 65 -8.414 3.201 -5.328 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -9.466 3.700 -3.145 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -10.535 4.165 -4.489 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -10.853 2.672 -3.575 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -7.949 1.724 -3.388 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -9.340 0.706 -3.829 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -7.928 0.801 -4.909 1.00 0.00 H new ATOM 1036 N GLN A 66 -8.998 4.438 -7.844 1.00 0.00 N ATOM 1037 CA GLN A 66 -9.332 5.695 -8.575 1.00 0.00 C ATOM 1038 C GLN A 66 -9.331 5.415 -10.078 1.00 0.00 C ATOM 1039 O GLN A 66 -9.996 6.081 -10.845 1.00 0.00 O ATOM 1040 CB GLN A 66 -8.300 6.789 -8.256 1.00 0.00 C ATOM 1041 CG GLN A 66 -8.415 7.261 -6.792 1.00 0.00 C ATOM 1042 CD GLN A 66 -9.769 6.947 -6.203 1.00 0.00 C ATOM 1043 OE1 GLN A 66 -10.796 7.334 -6.726 1.00 0.00 O ATOM 1044 NE2 GLN A 66 -9.799 6.257 -5.114 1.00 0.00 N ATOM 0 H GLN A 66 -8.302 4.531 -7.105 1.00 0.00 H new ATOM 0 HA GLN A 66 -10.317 6.040 -8.261 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -7.295 6.408 -8.439 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -8.447 7.636 -8.926 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -7.639 6.782 -6.194 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -8.238 8.335 -6.742 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -8.929 5.939 -4.687 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -10.693 6.029 -4.679 1.00 0.00 H new ATOM 1053 N LYS A 67 -8.594 4.427 -10.500 1.00 0.00 N ATOM 1054 CA LYS A 67 -8.552 4.092 -11.950 1.00 0.00 C ATOM 1055 C LYS A 67 -9.897 3.505 -12.371 1.00 0.00 C ATOM 1056 O LYS A 67 -10.628 4.087 -13.150 1.00 0.00 O ATOM 1057 CB LYS A 67 -7.449 3.061 -12.200 1.00 0.00 C ATOM 1058 CG LYS A 67 -6.410 3.643 -13.158 1.00 0.00 C ATOM 1059 CD LYS A 67 -5.735 4.851 -12.505 1.00 0.00 C ATOM 1060 CE LYS A 67 -5.913 6.080 -13.399 1.00 0.00 C ATOM 1061 NZ LYS A 67 -5.194 7.239 -12.800 1.00 0.00 N ATOM 0 H LYS A 67 -8.017 3.835 -9.902 1.00 0.00 H new ATOM 0 HA LYS A 67 -8.348 4.993 -12.528 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -6.975 2.785 -11.258 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -7.877 2.151 -12.621 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -5.665 2.887 -13.407 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -6.887 3.940 -14.092 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -6.169 5.037 -11.523 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -4.675 4.650 -12.352 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -5.527 5.875 -14.397 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -6.972 6.313 -13.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -5.315 8.074 -13.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -5.582 7.438 -11.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -4.182 7.015 -12.718 1.00 0.00 H new ATOM 1075 N LEU A 68 -10.227 2.356 -11.860 1.00 0.00 N ATOM 1076 CA LEU A 68 -11.521 1.715 -12.219 1.00 0.00 C ATOM 1077 C LEU A 68 -12.675 2.524 -11.625 1.00 0.00 C ATOM 1078 O LEU A 68 -13.704 2.616 -12.274 1.00 0.00 O ATOM 1079 CB LEU A 68 -11.546 0.292 -11.657 1.00 0.00 C ATOM 1080 CG LEU A 68 -10.167 -0.354 -11.822 1.00 0.00 C ATOM 1081 CD1 LEU A 68 -10.279 -1.861 -11.583 1.00 0.00 C ATOM 1082 CD2 LEU A 68 -9.648 -0.102 -13.241 1.00 0.00 C ATOM 1083 OXT LEU A 68 -12.513 3.035 -10.529 1.00 0.00 O ATOM 0 H LEU A 68 -9.652 1.828 -11.204 1.00 0.00 H new ATOM 0 HA LEU A 68 -11.628 1.683 -13.303 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -11.825 0.312 -10.603 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -12.300 -0.301 -12.175 1.00 0.00 H new ATOM 0 HG LEU A 68 -9.475 0.081 -11.100 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -9.298 -2.322 -11.700 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -10.647 -2.043 -10.573 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -10.972 -2.293 -12.305 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -8.667 -0.562 -13.357 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -10.339 -0.535 -13.964 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -9.568 0.971 -13.414 1.00 0.00 H new