USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 567 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 21 TYR OH : rot -36:sc= -0.88! USER MOD Set 1.2: A 56 ASN : amide:sc= -2.86! C(o=-3.7!,f=-6.4!) USER MOD Single : A 1 MET CE :methyl 169:sc= -1.79 (180deg=-2.08) USER MOD Single : A 1 MET N :NH3+ -114:sc= 0.0392 (180deg=-0.259) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.133) USER MOD Single : A 11 ASN : amide:sc= -0.805 K(o=-0.81,f=-1.5) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ -106:sc= -13.3! (180deg=-26.5!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ -156:sc=-0.000583 (180deg=-0.678) USER MOD Single : A 43 HIS : no HD1:sc= -2.85! C(o=-2.8!,f=-2.2!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -1.21 K(o=-1.2,f=-5.9!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= -0.21 X(o=-0.21,f=0) USER MOD Single : A 63 HIS : no HD1:sc=-0.00898 X(o=-0.009,f=-0.29) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot -70:sc= -4.06 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot 99:sc= 0.0461 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 16.984 -3.753 3.090 1.00 0.00 N ATOM 2 CA MET A 1 16.248 -2.886 2.175 1.00 0.00 C ATOM 3 C MET A 1 16.015 -1.514 2.836 1.00 0.00 C ATOM 4 O MET A 1 15.964 -1.437 4.063 1.00 0.00 O ATOM 5 CB MET A 1 14.920 -3.559 1.806 1.00 0.00 C ATOM 6 CG MET A 1 15.097 -4.759 0.895 1.00 0.00 C ATOM 7 SD MET A 1 13.887 -6.055 1.211 1.00 0.00 S ATOM 8 CE MET A 1 14.818 -7.108 2.321 1.00 0.00 C ATOM 0 H1 MET A 1 17.925 -3.956 2.695 1.00 0.00 H new ATOM 0 H2 MET A 1 17.089 -3.278 4.009 1.00 0.00 H new ATOM 0 H3 MET A 1 16.463 -4.644 3.219 1.00 0.00 H new ATOM 0 HA MET A 1 16.822 -2.727 1.262 1.00 0.00 H new ATOM 0 HB2 MET A 1 14.413 -3.874 2.718 1.00 0.00 H new ATOM 0 HB3 MET A 1 14.273 -2.831 1.317 1.00 0.00 H new ATOM 0 HG2 MET A 1 15.016 -4.437 -0.143 1.00 0.00 H new ATOM 0 HG3 MET A 1 16.100 -5.164 1.026 1.00 0.00 H new ATOM 0 HE1 MET A 1 14.152 -7.849 2.764 1.00 0.00 H new ATOM 0 HE2 MET A 1 15.607 -7.615 1.765 1.00 0.00 H new ATOM 0 HE3 MET A 1 15.262 -6.502 3.110 1.00 0.00 H new ATOM 18 N ASP A 2 15.875 -0.428 2.052 1.00 0.00 N ATOM 19 CA ASP A 2 15.655 0.889 2.656 1.00 0.00 C ATOM 20 C ASP A 2 14.546 1.603 1.931 1.00 0.00 C ATOM 21 O ASP A 2 14.349 1.390 0.750 1.00 0.00 O ATOM 22 CB ASP A 2 16.930 1.733 2.655 1.00 0.00 C ATOM 23 CG ASP A 2 18.153 0.943 3.079 1.00 0.00 C ATOM 24 OD1 ASP A 2 18.003 0.009 3.895 1.00 0.00 O ATOM 25 OD2 ASP A 2 19.263 1.261 2.602 1.00 0.00 O ATOM 0 H ASP A 2 15.909 -0.438 1.033 1.00 0.00 H new ATOM 0 HA ASP A 2 15.367 0.740 3.697 1.00 0.00 H new ATOM 0 HB2 ASP A 2 17.092 2.138 1.656 1.00 0.00 H new ATOM 0 HB3 ASP A 2 16.800 2.582 3.326 1.00 0.00 H new ATOM 30 N LEU A 3 13.777 2.412 2.621 1.00 0.00 N ATOM 31 CA LEU A 3 12.678 3.069 1.946 1.00 0.00 C ATOM 32 C LEU A 3 12.765 4.587 1.894 1.00 0.00 C ATOM 33 O LEU A 3 12.611 5.255 2.917 1.00 0.00 O ATOM 34 CB LEU A 3 11.369 2.670 2.618 1.00 0.00 C ATOM 35 CG LEU A 3 10.253 2.158 1.703 1.00 0.00 C ATOM 36 CD1 LEU A 3 9.208 3.234 1.476 1.00 0.00 C ATOM 37 CD2 LEU A 3 10.789 1.653 0.372 1.00 0.00 C ATOM 0 H LEU A 3 13.882 2.627 3.612 1.00 0.00 H new ATOM 0 HA LEU A 3 12.728 2.734 0.910 1.00 0.00 H new ATOM 0 HB2 LEU A 3 11.587 1.896 3.354 1.00 0.00 H new ATOM 0 HB3 LEU A 3 10.991 3.533 3.165 1.00 0.00 H new ATOM 0 HG LEU A 3 9.787 1.313 2.210 1.00 0.00 H new ATOM 0 HD11 LEU A 3 8.425 2.849 0.823 1.00 0.00 H new ATOM 0 HD12 LEU A 3 8.773 3.526 2.432 1.00 0.00 H new ATOM 0 HD13 LEU A 3 9.675 4.102 1.010 1.00 0.00 H new ATOM 0 HD21 LEU A 3 9.961 1.300 -0.243 1.00 0.00 H new ATOM 0 HD22 LEU A 3 11.305 2.463 -0.144 1.00 0.00 H new ATOM 0 HD23 LEU A 3 11.486 0.833 0.548 1.00 0.00 H new ATOM 49 N ILE A 4 12.889 5.143 0.688 1.00 0.00 N ATOM 50 CA ILE A 4 12.844 6.599 0.559 1.00 0.00 C ATOM 51 C ILE A 4 11.506 6.934 -0.064 1.00 0.00 C ATOM 52 O ILE A 4 11.244 6.606 -1.221 1.00 0.00 O ATOM 53 CB ILE A 4 13.954 7.143 -0.342 1.00 0.00 C ATOM 54 CG1 ILE A 4 15.233 6.335 -0.148 1.00 0.00 C ATOM 55 CG2 ILE A 4 14.195 8.620 -0.063 1.00 0.00 C ATOM 56 CD1 ILE A 4 15.859 6.510 1.218 1.00 0.00 C ATOM 0 H ILE A 4 13.017 4.629 -0.184 1.00 0.00 H new ATOM 0 HA ILE A 4 12.981 7.050 1.542 1.00 0.00 H new ATOM 0 HB ILE A 4 13.641 7.045 -1.381 1.00 0.00 H new ATOM 0 HG12 ILE A 4 15.013 5.279 -0.305 1.00 0.00 H new ATOM 0 HG13 ILE A 4 15.956 6.627 -0.910 1.00 0.00 H new ATOM 0 HG21 ILE A 4 14.988 8.989 -0.714 1.00 0.00 H new ATOM 0 HG22 ILE A 4 13.280 9.180 -0.253 1.00 0.00 H new ATOM 0 HG23 ILE A 4 14.490 8.750 0.978 1.00 0.00 H new ATOM 0 HD11 ILE A 4 16.764 5.906 1.284 1.00 0.00 H new ATOM 0 HD12 ILE A 4 16.111 7.559 1.371 1.00 0.00 H new ATOM 0 HD13 ILE A 4 15.153 6.191 1.985 1.00 0.00 H new ATOM 68 N ILE A 5 10.638 7.521 0.732 1.00 0.00 N ATOM 69 CA ILE A 5 9.290 7.825 0.288 1.00 0.00 C ATOM 70 C ILE A 5 8.879 9.291 0.126 1.00 0.00 C ATOM 71 O ILE A 5 9.186 10.148 0.954 1.00 0.00 O ATOM 72 CB ILE A 5 8.250 7.100 1.130 1.00 0.00 C ATOM 73 CG1 ILE A 5 8.668 6.984 2.601 1.00 0.00 C ATOM 74 CG2 ILE A 5 8.019 5.732 0.531 1.00 0.00 C ATOM 75 CD1 ILE A 5 9.179 8.268 3.227 1.00 0.00 C ATOM 0 H ILE A 5 10.840 7.799 1.692 1.00 0.00 H new ATOM 0 HA ILE A 5 9.321 7.455 -0.737 1.00 0.00 H new ATOM 0 HB ILE A 5 7.327 7.680 1.119 1.00 0.00 H new ATOM 0 HG12 ILE A 5 7.814 6.631 3.179 1.00 0.00 H new ATOM 0 HG13 ILE A 5 9.445 6.224 2.683 1.00 0.00 H new ATOM 0 HG21 ILE A 5 7.276 5.197 1.122 1.00 0.00 H new ATOM 0 HG22 ILE A 5 7.660 5.839 -0.493 1.00 0.00 H new ATOM 0 HG23 ILE A 5 8.954 5.172 0.531 1.00 0.00 H new ATOM 0 HD11 ILE A 5 9.449 8.084 4.267 1.00 0.00 H new ATOM 0 HD12 ILE A 5 10.056 8.615 2.681 1.00 0.00 H new ATOM 0 HD13 ILE A 5 8.400 9.029 3.184 1.00 0.00 H new ATOM 87 N LYS A 6 8.055 9.517 -0.892 1.00 0.00 N ATOM 88 CA LYS A 6 7.427 10.813 -1.133 1.00 0.00 C ATOM 89 C LYS A 6 5.919 10.540 -1.205 1.00 0.00 C ATOM 90 O LYS A 6 5.255 10.773 -2.218 1.00 0.00 O ATOM 91 CB LYS A 6 7.939 11.474 -2.413 1.00 0.00 C ATOM 92 CG LYS A 6 8.222 12.961 -2.257 1.00 0.00 C ATOM 93 CD LYS A 6 7.826 13.738 -3.502 1.00 0.00 C ATOM 94 CE LYS A 6 7.206 15.079 -3.149 1.00 0.00 C ATOM 95 NZ LYS A 6 7.533 16.125 -4.159 1.00 0.00 N ATOM 0 H LYS A 6 7.802 8.804 -1.576 1.00 0.00 H new ATOM 0 HA LYS A 6 7.669 11.515 -0.335 1.00 0.00 H new ATOM 0 HB2 LYS A 6 8.851 10.970 -2.733 1.00 0.00 H new ATOM 0 HB3 LYS A 6 7.203 11.333 -3.205 1.00 0.00 H new ATOM 0 HG2 LYS A 6 7.676 13.348 -1.397 1.00 0.00 H new ATOM 0 HG3 LYS A 6 9.283 13.111 -2.055 1.00 0.00 H new ATOM 0 HD2 LYS A 6 8.704 13.896 -4.128 1.00 0.00 H new ATOM 0 HD3 LYS A 6 7.118 13.152 -4.088 1.00 0.00 H new ATOM 0 HE2 LYS A 6 6.124 14.971 -3.076 1.00 0.00 H new ATOM 0 HE3 LYS A 6 7.562 15.397 -2.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 7.092 17.025 -3.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 8.565 16.247 -4.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 7.171 15.834 -5.090 1.00 0.00 H new ATOM 109 N GLU A 7 5.438 9.945 -0.114 1.00 0.00 N ATOM 110 CA GLU A 7 4.052 9.480 0.062 1.00 0.00 C ATOM 111 C GLU A 7 2.963 10.552 -0.019 1.00 0.00 C ATOM 112 O GLU A 7 3.067 11.611 0.599 1.00 0.00 O ATOM 113 CB GLU A 7 3.968 8.713 1.384 1.00 0.00 C ATOM 114 CG GLU A 7 5.199 7.846 1.642 1.00 0.00 C ATOM 115 CD GLU A 7 6.152 8.541 2.602 1.00 0.00 C ATOM 116 OE1 GLU A 7 6.952 9.379 2.134 1.00 0.00 O ATOM 117 OE2 GLU A 7 6.079 8.277 3.818 1.00 0.00 O ATOM 0 H GLU A 7 6.019 9.764 0.704 1.00 0.00 H new ATOM 0 HA GLU A 7 3.835 8.842 -0.794 1.00 0.00 H new ATOM 0 HB2 GLU A 7 3.850 9.422 2.204 1.00 0.00 H new ATOM 0 HB3 GLU A 7 3.079 8.082 1.377 1.00 0.00 H new ATOM 0 HG2 GLU A 7 4.893 6.885 2.056 1.00 0.00 H new ATOM 0 HG3 GLU A 7 5.709 7.640 0.701 1.00 0.00 H new ATOM 124 N LYS A 8 1.874 10.226 -0.756 1.00 0.00 N ATOM 125 CA LYS A 8 0.730 11.098 -0.886 1.00 0.00 C ATOM 126 C LYS A 8 -0.508 10.216 -0.752 1.00 0.00 C ATOM 127 O LYS A 8 -0.527 9.115 -1.291 1.00 0.00 O ATOM 128 CB LYS A 8 0.741 11.837 -2.230 1.00 0.00 C ATOM 129 CG LYS A 8 1.818 12.903 -2.330 1.00 0.00 C ATOM 130 CD LYS A 8 2.241 13.133 -3.771 1.00 0.00 C ATOM 131 CE LYS A 8 3.640 13.724 -3.855 1.00 0.00 C ATOM 132 NZ LYS A 8 4.411 13.169 -5.001 1.00 0.00 N ATOM 0 H LYS A 8 1.785 9.348 -1.268 1.00 0.00 H new ATOM 0 HA LYS A 8 0.743 11.870 -0.116 1.00 0.00 H new ATOM 0 HB2 LYS A 8 0.883 11.113 -3.032 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -0.233 12.301 -2.388 1.00 0.00 H new ATOM 0 HG2 LYS A 8 1.449 13.836 -1.905 1.00 0.00 H new ATOM 0 HG3 LYS A 8 2.684 12.604 -1.739 1.00 0.00 H new ATOM 0 HD2 LYS A 8 2.211 12.189 -4.315 1.00 0.00 H new ATOM 0 HD3 LYS A 8 1.532 13.804 -4.257 1.00 0.00 H new ATOM 0 HE2 LYS A 8 3.571 14.807 -3.955 1.00 0.00 H new ATOM 0 HE3 LYS A 8 4.175 13.523 -2.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 5.288 13.714 -5.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 4.646 12.174 -4.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 3.839 13.231 -5.867 1.00 0.00 H new ATOM 146 N ARG A 9 -1.518 10.636 0.002 1.00 0.00 N ATOM 147 CA ARG A 9 -2.685 9.770 0.187 1.00 0.00 C ATOM 148 C ARG A 9 -4.014 10.458 -0.088 1.00 0.00 C ATOM 149 O ARG A 9 -4.263 11.577 0.361 1.00 0.00 O ATOM 150 CB ARG A 9 -2.694 9.206 1.608 1.00 0.00 C ATOM 151 CG ARG A 9 -2.627 10.275 2.688 1.00 0.00 C ATOM 152 CD ARG A 9 -3.835 10.220 3.609 1.00 0.00 C ATOM 153 NE ARG A 9 -4.242 11.551 4.056 1.00 0.00 N ATOM 154 CZ ARG A 9 -3.515 12.315 4.868 1.00 0.00 C ATOM 155 NH1 ARG A 9 -2.343 11.886 5.322 1.00 0.00 N ATOM 156 NH2 ARG A 9 -3.959 13.511 5.228 1.00 0.00 N ATOM 0 H ARG A 9 -1.559 11.536 0.481 1.00 0.00 H new ATOM 0 HA ARG A 9 -2.587 8.972 -0.549 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -3.599 8.615 1.749 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -1.848 8.528 1.726 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -1.717 10.144 3.273 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -2.568 11.259 2.223 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -4.666 9.742 3.090 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -3.603 9.601 4.476 1.00 0.00 H new ATOM 0 HE ARG A 9 -5.136 11.916 3.726 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -1.996 10.967 5.049 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -1.790 12.476 5.944 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -4.858 13.846 4.883 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -3.401 14.096 5.850 1.00 0.00 H new ATOM 170 N ASP A 10 -4.884 9.740 -0.799 1.00 0.00 N ATOM 171 CA ASP A 10 -6.218 10.226 -1.103 1.00 0.00 C ATOM 172 C ASP A 10 -7.243 9.186 -0.662 1.00 0.00 C ATOM 173 O ASP A 10 -7.305 8.051 -1.186 1.00 0.00 O ATOM 174 CB ASP A 10 -6.359 10.507 -2.602 1.00 0.00 C ATOM 175 CG ASP A 10 -7.468 11.497 -2.900 1.00 0.00 C ATOM 176 OD1 ASP A 10 -7.424 12.621 -2.357 1.00 0.00 O ATOM 177 OD2 ASP A 10 -8.383 11.146 -3.677 1.00 0.00 O ATOM 0 H ASP A 10 -4.681 8.814 -1.175 1.00 0.00 H new ATOM 0 HA ASP A 10 -6.391 11.158 -0.566 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -5.416 10.895 -2.987 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -6.558 9.573 -3.127 1.00 0.00 H new ATOM 182 N ASN A 11 -8.073 9.543 0.299 1.00 0.00 N ATOM 183 CA ASN A 11 -9.047 8.585 0.738 1.00 0.00 C ATOM 184 C ASN A 11 -10.458 9.004 0.348 1.00 0.00 C ATOM 185 O ASN A 11 -11.002 9.970 0.882 1.00 0.00 O ATOM 186 CB ASN A 11 -8.966 8.436 2.259 1.00 0.00 C ATOM 187 CG ASN A 11 -9.090 9.763 2.979 1.00 0.00 C ATOM 188 OD1 ASN A 11 -10.191 10.197 3.318 1.00 0.00 O ATOM 189 ND2 ASN A 11 -7.958 10.417 3.215 1.00 0.00 N ATOM 0 H ASN A 11 -8.090 10.449 0.768 1.00 0.00 H new ATOM 0 HA ASN A 11 -8.828 7.634 0.252 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -9.757 7.767 2.598 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -8.018 7.969 2.525 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -7.979 11.317 3.695 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -7.067 10.019 2.916 1.00 0.00 H new ATOM 196 N PRO A 12 -11.080 8.250 -0.568 1.00 0.00 N ATOM 197 CA PRO A 12 -12.425 8.478 -1.021 1.00 0.00 C ATOM 198 C PRO A 12 -13.338 7.417 -0.408 1.00 0.00 C ATOM 199 O PRO A 12 -13.470 7.345 0.814 1.00 0.00 O ATOM 200 CB PRO A 12 -12.243 8.286 -2.523 1.00 0.00 C ATOM 201 CG PRO A 12 -11.246 7.163 -2.622 1.00 0.00 C ATOM 202 CD PRO A 12 -10.525 7.097 -1.285 1.00 0.00 C ATOM 0 HA PRO A 12 -12.873 9.436 -0.758 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -13.184 8.030 -3.011 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -11.873 9.193 -3.001 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -11.747 6.219 -2.838 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -10.541 7.343 -3.433 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -10.723 6.161 -0.763 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -9.444 7.174 -1.403 1.00 0.00 H new ATOM 210 N ILE A 13 -13.926 6.566 -1.238 1.00 0.00 N ATOM 211 CA ILE A 13 -14.767 5.495 -0.740 1.00 0.00 C ATOM 212 C ILE A 13 -13.920 4.409 -0.073 1.00 0.00 C ATOM 213 O ILE A 13 -14.303 3.836 0.949 1.00 0.00 O ATOM 214 CB ILE A 13 -15.560 4.835 -1.897 1.00 0.00 C ATOM 215 CG1 ILE A 13 -14.640 3.888 -2.686 1.00 0.00 C ATOM 216 CG2 ILE A 13 -16.158 5.899 -2.807 1.00 0.00 C ATOM 217 CD1 ILE A 13 -15.230 3.352 -3.971 1.00 0.00 C ATOM 0 H ILE A 13 -13.835 6.599 -2.253 1.00 0.00 H new ATOM 0 HA ILE A 13 -15.455 5.934 -0.017 1.00 0.00 H new ATOM 0 HB ILE A 13 -16.381 4.252 -1.480 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -13.715 4.415 -2.920 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -14.374 3.046 -2.046 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -16.711 5.419 -3.614 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -16.833 6.533 -2.231 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -15.359 6.509 -3.228 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -14.509 2.695 -4.456 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -16.139 2.792 -3.749 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -15.469 4.182 -4.636 1.00 0.00 H new ATOM 229 N LEU A 14 -12.794 4.088 -0.716 1.00 0.00 N ATOM 230 CA LEU A 14 -11.912 3.020 -0.256 1.00 0.00 C ATOM 231 C LEU A 14 -10.579 3.474 0.353 1.00 0.00 C ATOM 232 O LEU A 14 -9.676 2.652 0.491 1.00 0.00 O ATOM 233 CB LEU A 14 -11.679 2.028 -1.397 1.00 0.00 C ATOM 234 CG LEU A 14 -10.683 2.448 -2.486 1.00 0.00 C ATOM 235 CD1 LEU A 14 -10.628 3.962 -2.662 1.00 0.00 C ATOM 236 CD2 LEU A 14 -9.305 1.894 -2.166 1.00 0.00 C ATOM 0 H LEU A 14 -12.473 4.558 -1.562 1.00 0.00 H new ATOM 0 HA LEU A 14 -12.434 2.545 0.575 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -11.334 1.088 -0.965 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -12.638 1.827 -1.873 1.00 0.00 H new ATOM 0 HG LEU A 14 -11.029 2.032 -3.432 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -9.910 4.212 -3.443 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -11.614 4.332 -2.944 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -10.321 4.426 -1.725 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -8.602 2.196 -2.943 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -8.971 2.282 -1.204 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -9.352 0.806 -2.121 1.00 0.00 H new ATOM 248 N LYS A 15 -10.447 4.738 0.756 1.00 0.00 N ATOM 249 CA LYS A 15 -9.205 5.193 1.401 1.00 0.00 C ATOM 250 C LYS A 15 -7.931 4.764 0.646 1.00 0.00 C ATOM 251 O LYS A 15 -7.064 4.110 1.226 1.00 0.00 O ATOM 252 CB LYS A 15 -9.170 4.714 2.854 1.00 0.00 C ATOM 253 CG LYS A 15 -9.138 3.203 3.031 1.00 0.00 C ATOM 254 CD LYS A 15 -10.546 2.619 3.059 1.00 0.00 C ATOM 255 CE LYS A 15 -10.942 2.180 4.459 1.00 0.00 C ATOM 256 NZ LYS A 15 -11.652 3.259 5.200 1.00 0.00 N ATOM 0 H LYS A 15 -11.165 5.455 0.653 1.00 0.00 H new ATOM 0 HA LYS A 15 -9.211 6.283 1.375 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -8.293 5.141 3.341 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -10.045 5.107 3.372 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -8.571 2.751 2.217 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -8.620 2.954 3.957 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -11.256 3.362 2.696 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -10.601 1.767 2.381 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -11.583 1.301 4.396 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -10.051 1.885 5.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -11.905 2.919 6.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -11.031 4.089 5.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -12.516 3.523 4.685 1.00 0.00 H new ATOM 270 N ARG A 16 -7.823 5.096 -0.649 1.00 0.00 N ATOM 271 CA ARG A 16 -6.657 4.687 -1.442 1.00 0.00 C ATOM 272 C ARG A 16 -5.588 5.766 -1.460 1.00 0.00 C ATOM 273 O ARG A 16 -5.889 6.942 -1.640 1.00 0.00 O ATOM 274 CB ARG A 16 -7.077 4.373 -2.879 1.00 0.00 C ATOM 275 CG ARG A 16 -5.988 3.700 -3.699 1.00 0.00 C ATOM 276 CD ARG A 16 -5.860 4.322 -5.081 1.00 0.00 C ATOM 277 NE ARG A 16 -5.878 3.314 -6.138 1.00 0.00 N ATOM 278 CZ ARG A 16 -5.543 3.561 -7.403 1.00 0.00 C ATOM 279 NH1 ARG A 16 -5.169 4.778 -7.773 1.00 0.00 N ATOM 280 NH2 ARG A 16 -5.582 2.586 -8.301 1.00 0.00 N ATOM 0 H ARG A 16 -8.518 5.638 -1.162 1.00 0.00 H new ATOM 0 HA ARG A 16 -6.241 3.795 -0.974 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -7.956 3.728 -2.859 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -7.372 5.299 -3.373 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -5.036 3.779 -3.174 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -6.210 2.637 -3.797 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -6.676 5.027 -5.238 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -4.932 4.891 -5.138 1.00 0.00 H new ATOM 0 HE ARG A 16 -6.164 2.366 -5.893 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -5.137 5.532 -7.087 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -4.914 4.960 -8.744 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -5.868 1.647 -8.023 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -5.326 2.775 -9.270 1.00 0.00 H new ATOM 294 N LYS A 17 -4.329 5.379 -1.287 1.00 0.00 N ATOM 295 CA LYS A 17 -3.267 6.382 -1.304 1.00 0.00 C ATOM 296 C LYS A 17 -2.292 6.163 -2.464 1.00 0.00 C ATOM 297 O LYS A 17 -2.208 5.044 -3.005 1.00 0.00 O ATOM 298 CB LYS A 17 -2.589 6.455 0.069 1.00 0.00 C ATOM 299 CG LYS A 17 -1.728 5.258 0.420 1.00 0.00 C ATOM 300 CD LYS A 17 -0.408 5.286 -0.326 1.00 0.00 C ATOM 301 CE LYS A 17 -0.351 4.188 -1.367 1.00 0.00 C ATOM 302 NZ LYS A 17 -0.043 4.694 -2.714 1.00 0.00 N ATOM 0 H LYS A 17 -4.024 4.417 -1.139 1.00 0.00 H new ATOM 0 HA LYS A 17 -3.708 7.361 -1.491 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -1.971 7.352 0.106 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.359 6.567 0.833 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -1.540 5.246 1.494 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -2.264 4.340 0.179 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -0.278 6.255 -0.807 1.00 0.00 H new ATOM 0 HD3 LYS A 17 0.415 5.167 0.379 1.00 0.00 H new ATOM 0 HE2 LYS A 17 0.404 3.458 -1.077 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -1.307 3.666 -1.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -0.904 4.674 -3.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 0.306 5.671 -2.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 0.686 4.095 -3.151 1.00 0.00 H new ATOM 316 N GLU A 18 -1.575 7.257 -2.841 1.00 0.00 N ATOM 317 CA GLU A 18 -0.608 7.260 -3.946 1.00 0.00 C ATOM 318 C GLU A 18 0.690 7.879 -3.452 1.00 0.00 C ATOM 319 O GLU A 18 0.754 9.074 -3.180 1.00 0.00 O ATOM 320 CB GLU A 18 -1.136 8.050 -5.149 1.00 0.00 C ATOM 321 CG GLU A 18 -2.593 8.473 -5.032 1.00 0.00 C ATOM 322 CD GLU A 18 -2.983 9.510 -6.067 1.00 0.00 C ATOM 323 OE1 GLU A 18 -2.204 10.466 -6.272 1.00 0.00 O ATOM 324 OE2 GLU A 18 -4.066 9.368 -6.673 1.00 0.00 O ATOM 0 H GLU A 18 -1.661 8.161 -2.376 1.00 0.00 H new ATOM 0 HA GLU A 18 -0.441 6.233 -4.272 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -0.521 8.940 -5.282 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.017 7.444 -6.047 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -3.232 7.597 -5.142 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -2.772 8.875 -4.035 1.00 0.00 H new ATOM 331 N ILE A 19 1.699 7.057 -3.294 1.00 0.00 N ATOM 332 CA ILE A 19 2.974 7.504 -2.774 1.00 0.00 C ATOM 333 C ILE A 19 4.127 7.021 -3.622 1.00 0.00 C ATOM 334 O ILE A 19 4.071 5.949 -4.219 1.00 0.00 O ATOM 335 CB ILE A 19 3.192 7.050 -1.314 1.00 0.00 C ATOM 336 CG1 ILE A 19 3.659 5.622 -1.257 1.00 0.00 C ATOM 337 CG2 ILE A 19 1.919 7.204 -0.492 1.00 0.00 C ATOM 338 CD1 ILE A 19 2.742 4.712 -2.002 1.00 0.00 C ATOM 0 H ILE A 19 1.663 6.063 -3.520 1.00 0.00 H new ATOM 0 HA ILE A 19 2.946 8.593 -2.803 1.00 0.00 H new ATOM 0 HB ILE A 19 3.963 7.692 -0.888 1.00 0.00 H new ATOM 0 HG12 ILE A 19 4.663 5.550 -1.676 1.00 0.00 H new ATOM 0 HG13 ILE A 19 3.724 5.302 -0.217 1.00 0.00 H new ATOM 0 HG21 ILE A 19 2.105 6.876 0.531 1.00 0.00 H new ATOM 0 HG22 ILE A 19 1.613 8.250 -0.488 1.00 0.00 H new ATOM 0 HG23 ILE A 19 1.127 6.596 -0.930 1.00 0.00 H new ATOM 0 HD11 ILE A 19 3.113 3.689 -1.938 1.00 0.00 H new ATOM 0 HD12 ILE A 19 1.744 4.764 -1.566 1.00 0.00 H new ATOM 0 HD13 ILE A 19 2.697 5.017 -3.048 1.00 0.00 H new ATOM 350 N LYS A 20 5.173 7.811 -3.665 1.00 0.00 N ATOM 351 CA LYS A 20 6.349 7.440 -4.439 1.00 0.00 C ATOM 352 C LYS A 20 7.372 6.798 -3.503 1.00 0.00 C ATOM 353 O LYS A 20 7.567 7.261 -2.379 1.00 0.00 O ATOM 354 CB LYS A 20 6.952 8.673 -5.091 1.00 0.00 C ATOM 355 CG LYS A 20 8.079 9.257 -4.273 1.00 0.00 C ATOM 356 CD LYS A 20 9.395 8.572 -4.599 1.00 0.00 C ATOM 357 CE LYS A 20 10.555 9.557 -4.624 1.00 0.00 C ATOM 358 NZ LYS A 20 11.501 9.326 -3.497 1.00 0.00 N ATOM 0 H LYS A 20 5.241 8.707 -3.181 1.00 0.00 H new ATOM 0 HA LYS A 20 6.067 6.734 -5.220 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.322 8.413 -6.083 1.00 0.00 H new ATOM 0 HB3 LYS A 20 6.176 9.426 -5.227 1.00 0.00 H new ATOM 0 HG2 LYS A 20 8.162 10.326 -4.471 1.00 0.00 H new ATOM 0 HG3 LYS A 20 7.859 9.145 -3.211 1.00 0.00 H new ATOM 0 HD2 LYS A 20 9.593 7.796 -3.860 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.317 8.078 -5.567 1.00 0.00 H new ATOM 0 HE2 LYS A 20 11.088 9.467 -5.570 1.00 0.00 H new ATOM 0 HE3 LYS A 20 10.169 10.575 -4.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 12.277 10.016 -3.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 10.998 9.437 -2.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 11.889 8.363 -3.561 1.00 0.00 H new ATOM 372 N TYR A 21 7.978 5.698 -3.931 1.00 0.00 N ATOM 373 CA TYR A 21 8.921 4.997 -3.066 1.00 0.00 C ATOM 374 C TYR A 21 10.171 4.460 -3.778 1.00 0.00 C ATOM 375 O TYR A 21 10.120 4.032 -4.931 1.00 0.00 O ATOM 376 CB TYR A 21 8.168 3.836 -2.415 1.00 0.00 C ATOM 377 CG TYR A 21 8.264 2.541 -3.193 1.00 0.00 C ATOM 378 CD1 TYR A 21 7.919 2.489 -4.539 1.00 0.00 C ATOM 379 CD2 TYR A 21 8.697 1.376 -2.584 1.00 0.00 C ATOM 380 CE1 TYR A 21 8.003 1.310 -5.252 1.00 0.00 C ATOM 381 CE2 TYR A 21 8.786 0.190 -3.289 1.00 0.00 C ATOM 382 CZ TYR A 21 8.439 0.162 -4.622 1.00 0.00 C ATOM 383 OH TYR A 21 8.524 -1.016 -5.327 1.00 0.00 O ATOM 0 H TYR A 21 7.839 5.278 -4.850 1.00 0.00 H new ATOM 0 HA TYR A 21 9.294 5.720 -2.340 1.00 0.00 H new ATOM 0 HB2 TYR A 21 8.560 3.677 -1.411 1.00 0.00 H new ATOM 0 HB3 TYR A 21 7.118 4.109 -2.308 1.00 0.00 H new ATOM 0 HD1 TYR A 21 7.580 3.386 -5.035 1.00 0.00 H new ATOM 0 HD2 TYR A 21 8.970 1.394 -1.539 1.00 0.00 H new ATOM 0 HE1 TYR A 21 7.729 1.286 -6.296 1.00 0.00 H new ATOM 0 HE2 TYR A 21 9.126 -0.710 -2.797 1.00 0.00 H new ATOM 0 HH TYR A 21 7.788 -1.065 -5.972 1.00 0.00 H new ATOM 393 N VAL A 22 11.260 4.389 -3.012 1.00 0.00 N ATOM 394 CA VAL A 22 12.515 3.789 -3.476 1.00 0.00 C ATOM 395 C VAL A 22 12.992 2.843 -2.381 1.00 0.00 C ATOM 396 O VAL A 22 13.042 3.216 -1.212 1.00 0.00 O ATOM 397 CB VAL A 22 13.650 4.808 -3.827 1.00 0.00 C ATOM 398 CG1 VAL A 22 14.679 4.905 -2.710 1.00 0.00 C ATOM 399 CG2 VAL A 22 14.361 4.403 -5.119 1.00 0.00 C ATOM 0 H VAL A 22 11.299 4.744 -2.056 1.00 0.00 H new ATOM 0 HA VAL A 22 12.304 3.280 -4.416 1.00 0.00 H new ATOM 0 HB VAL A 22 13.175 5.781 -3.956 1.00 0.00 H new ATOM 0 HG11 VAL A 22 15.452 5.621 -2.988 1.00 0.00 H new ATOM 0 HG12 VAL A 22 14.191 5.236 -1.793 1.00 0.00 H new ATOM 0 HG13 VAL A 22 15.132 3.927 -2.547 1.00 0.00 H new ATOM 0 HG21 VAL A 22 15.146 5.125 -5.344 1.00 0.00 H new ATOM 0 HG22 VAL A 22 14.802 3.414 -4.997 1.00 0.00 H new ATOM 0 HG23 VAL A 22 13.642 4.381 -5.938 1.00 0.00 H new ATOM 409 N LEU A 23 13.336 1.628 -2.749 1.00 0.00 N ATOM 410 CA LEU A 23 13.796 0.663 -1.812 1.00 0.00 C ATOM 411 C LEU A 23 15.268 0.484 -2.054 1.00 0.00 C ATOM 412 O LEU A 23 15.684 0.234 -3.187 1.00 0.00 O ATOM 413 CB LEU A 23 13.053 -0.669 -2.027 1.00 0.00 C ATOM 414 CG LEU A 23 13.330 -1.772 -0.990 1.00 0.00 C ATOM 415 CD1 LEU A 23 12.096 -2.030 -0.137 1.00 0.00 C ATOM 416 CD2 LEU A 23 13.766 -3.062 -1.674 1.00 0.00 C ATOM 0 H LEU A 23 13.300 1.294 -3.712 1.00 0.00 H new ATOM 0 HA LEU A 23 13.611 0.988 -0.788 1.00 0.00 H new ATOM 0 HB2 LEU A 23 11.982 -0.467 -2.036 1.00 0.00 H new ATOM 0 HB3 LEU A 23 13.313 -1.052 -3.014 1.00 0.00 H new ATOM 0 HG LEU A 23 14.139 -1.428 -0.345 1.00 0.00 H new ATOM 0 HD11 LEU A 23 12.313 -2.813 0.590 1.00 0.00 H new ATOM 0 HD12 LEU A 23 11.818 -1.116 0.387 1.00 0.00 H new ATOM 0 HD13 LEU A 23 11.272 -2.346 -0.776 1.00 0.00 H new ATOM 0 HD21 LEU A 23 13.956 -3.827 -0.921 1.00 0.00 H new ATOM 0 HD22 LEU A 23 12.978 -3.402 -2.346 1.00 0.00 H new ATOM 0 HD23 LEU A 23 14.676 -2.881 -2.245 1.00 0.00 H new ATOM 428 N LYS A 24 16.063 0.606 -1.020 1.00 0.00 N ATOM 429 CA LYS A 24 17.480 0.445 -1.204 1.00 0.00 C ATOM 430 C LYS A 24 17.838 -0.937 -0.759 1.00 0.00 C ATOM 431 O LYS A 24 17.596 -1.329 0.370 1.00 0.00 O ATOM 432 CB LYS A 24 18.253 1.485 -0.392 1.00 0.00 C ATOM 433 CG LYS A 24 17.677 2.888 -0.504 1.00 0.00 C ATOM 434 CD LYS A 24 18.415 3.867 0.392 1.00 0.00 C ATOM 435 CE LYS A 24 18.319 5.287 -0.142 1.00 0.00 C ATOM 436 NZ LYS A 24 19.522 5.667 -0.932 1.00 0.00 N ATOM 0 H LYS A 24 15.762 0.811 -0.067 1.00 0.00 H new ATOM 0 HA LYS A 24 17.743 0.590 -2.252 1.00 0.00 H new ATOM 0 HB2 LYS A 24 18.259 1.185 0.656 1.00 0.00 H new ATOM 0 HB3 LYS A 24 19.290 1.498 -0.726 1.00 0.00 H new ATOM 0 HG2 LYS A 24 17.736 3.225 -1.539 1.00 0.00 H new ATOM 0 HG3 LYS A 24 16.621 2.871 -0.234 1.00 0.00 H new ATOM 0 HD2 LYS A 24 17.999 3.826 1.399 1.00 0.00 H new ATOM 0 HD3 LYS A 24 19.462 3.575 0.468 1.00 0.00 H new ATOM 0 HE2 LYS A 24 17.431 5.380 -0.767 1.00 0.00 H new ATOM 0 HE3 LYS A 24 18.198 5.980 0.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 19.416 6.642 -1.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 20.367 5.603 -0.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 19.624 5.022 -1.741 1.00 0.00 H new ATOM 450 N PHE A 25 18.374 -1.691 -1.683 1.00 0.00 N ATOM 451 CA PHE A 25 18.700 -3.055 -1.413 1.00 0.00 C ATOM 452 C PHE A 25 20.192 -3.301 -1.431 1.00 0.00 C ATOM 453 O PHE A 25 20.907 -2.855 -2.328 1.00 0.00 O ATOM 454 CB PHE A 25 17.979 -3.932 -2.429 1.00 0.00 C ATOM 455 CG PHE A 25 18.143 -3.506 -3.863 1.00 0.00 C ATOM 456 CD1 PHE A 25 19.245 -3.917 -4.594 1.00 0.00 C ATOM 457 CD2 PHE A 25 17.190 -2.711 -4.483 1.00 0.00 C ATOM 458 CE1 PHE A 25 19.398 -3.544 -5.915 1.00 0.00 C ATOM 459 CE2 PHE A 25 17.339 -2.335 -5.805 1.00 0.00 C ATOM 460 CZ PHE A 25 18.444 -2.752 -6.522 1.00 0.00 C ATOM 0 H PHE A 25 18.592 -1.377 -2.629 1.00 0.00 H new ATOM 0 HA PHE A 25 18.369 -3.307 -0.405 1.00 0.00 H new ATOM 0 HB2 PHE A 25 18.340 -4.955 -2.326 1.00 0.00 H new ATOM 0 HB3 PHE A 25 16.916 -3.944 -2.188 1.00 0.00 H new ATOM 0 HD1 PHE A 25 19.995 -4.537 -4.125 1.00 0.00 H new ATOM 0 HD2 PHE A 25 16.324 -2.383 -3.928 1.00 0.00 H new ATOM 0 HE1 PHE A 25 20.263 -3.872 -6.472 1.00 0.00 H new ATOM 0 HE2 PHE A 25 16.591 -1.715 -6.277 1.00 0.00 H new ATOM 0 HZ PHE A 25 18.561 -2.459 -7.555 1.00 0.00 H new ATOM 470 N ASP A 26 20.644 -4.019 -0.417 1.00 0.00 N ATOM 471 CA ASP A 26 22.058 -4.344 -0.280 1.00 0.00 C ATOM 472 C ASP A 26 22.411 -5.605 -1.068 1.00 0.00 C ATOM 473 O ASP A 26 21.711 -6.614 -0.992 1.00 0.00 O ATOM 474 CB ASP A 26 22.406 -4.518 1.197 1.00 0.00 C ATOM 475 CG ASP A 26 21.768 -5.752 1.809 1.00 0.00 C ATOM 476 OD1 ASP A 26 20.630 -6.087 1.415 1.00 0.00 O ATOM 477 OD2 ASP A 26 22.403 -6.380 2.680 1.00 0.00 O ATOM 0 H ASP A 26 20.052 -4.390 0.327 1.00 0.00 H new ATOM 0 HA ASP A 26 22.645 -3.522 -0.690 1.00 0.00 H new ATOM 0 HB2 ASP A 26 23.489 -4.582 1.306 1.00 0.00 H new ATOM 0 HB3 ASP A 26 22.082 -3.635 1.749 1.00 0.00 H new ATOM 567 N ARG A 33 9.840 -10.557 2.233 1.00 0.00 N ATOM 568 CA ARG A 33 8.434 -10.235 2.006 1.00 0.00 C ATOM 569 C ARG A 33 7.984 -9.081 2.900 1.00 0.00 C ATOM 570 O ARG A 33 7.356 -8.131 2.437 1.00 0.00 O ATOM 571 CB ARG A 33 7.539 -11.470 2.203 1.00 0.00 C ATOM 572 CG ARG A 33 7.505 -12.023 3.621 1.00 0.00 C ATOM 573 CD ARG A 33 8.642 -12.999 3.876 1.00 0.00 C ATOM 574 NE ARG A 33 9.515 -12.552 4.958 1.00 0.00 N ATOM 575 CZ ARG A 33 10.548 -13.258 5.418 1.00 0.00 C ATOM 576 NH1 ARG A 33 10.840 -14.440 4.890 1.00 0.00 N ATOM 577 NH2 ARG A 33 11.288 -12.779 6.407 1.00 0.00 N ATOM 0 HA ARG A 33 8.331 -9.915 0.969 1.00 0.00 H new ATOM 0 HB2 ARG A 33 6.522 -11.214 1.905 1.00 0.00 H new ATOM 0 HB3 ARG A 33 7.880 -12.257 1.531 1.00 0.00 H new ATOM 0 HG2 ARG A 33 7.566 -11.200 4.333 1.00 0.00 H new ATOM 0 HG3 ARG A 33 6.552 -12.523 3.793 1.00 0.00 H new ATOM 0 HD2 ARG A 33 8.231 -13.978 4.123 1.00 0.00 H new ATOM 0 HD3 ARG A 33 9.227 -13.120 2.964 1.00 0.00 H new ATOM 0 HE ARG A 33 9.323 -11.647 5.387 1.00 0.00 H new ATOM 0 HH11 ARG A 33 10.273 -14.812 4.128 1.00 0.00 H new ATOM 0 HH12 ARG A 33 11.632 -14.976 5.246 1.00 0.00 H new ATOM 0 HH21 ARG A 33 11.067 -11.871 6.816 1.00 0.00 H new ATOM 0 HH22 ARG A 33 12.079 -13.318 6.760 1.00 0.00 H new ATOM 591 N GLU A 34 8.317 -9.178 4.185 1.00 0.00 N ATOM 592 CA GLU A 34 7.962 -8.156 5.165 1.00 0.00 C ATOM 593 C GLU A 34 8.828 -6.915 5.009 1.00 0.00 C ATOM 594 O GLU A 34 8.325 -5.793 4.984 1.00 0.00 O ATOM 595 CB GLU A 34 8.103 -8.717 6.583 1.00 0.00 C ATOM 596 CG GLU A 34 6.777 -9.082 7.228 1.00 0.00 C ATOM 597 CD GLU A 34 6.396 -10.532 6.998 1.00 0.00 C ATOM 598 OE1 GLU A 34 7.306 -11.385 6.942 1.00 0.00 O ATOM 599 OE2 GLU A 34 5.186 -10.814 6.872 1.00 0.00 O ATOM 0 H GLU A 34 8.838 -9.964 4.574 1.00 0.00 H new ATOM 0 HA GLU A 34 6.925 -7.869 4.991 1.00 0.00 H new ATOM 0 HB2 GLU A 34 8.738 -9.602 6.553 1.00 0.00 H new ATOM 0 HB3 GLU A 34 8.610 -7.981 7.207 1.00 0.00 H new ATOM 0 HG2 GLU A 34 6.834 -8.891 8.300 1.00 0.00 H new ATOM 0 HG3 GLU A 34 5.994 -8.437 6.830 1.00 0.00 H new ATOM 606 N GLU A 35 10.136 -7.120 4.928 1.00 0.00 N ATOM 607 CA GLU A 35 11.071 -6.012 4.808 1.00 0.00 C ATOM 608 C GLU A 35 10.776 -5.149 3.588 1.00 0.00 C ATOM 609 O GLU A 35 10.678 -3.935 3.701 1.00 0.00 O ATOM 610 CB GLU A 35 12.508 -6.535 4.737 1.00 0.00 C ATOM 611 CG GLU A 35 13.512 -5.655 5.462 1.00 0.00 C ATOM 612 CD GLU A 35 13.663 -6.024 6.924 1.00 0.00 C ATOM 613 OE1 GLU A 35 13.307 -7.165 7.287 1.00 0.00 O ATOM 614 OE2 GLU A 35 14.136 -5.173 7.707 1.00 0.00 O ATOM 0 H GLU A 35 10.572 -8.042 4.943 1.00 0.00 H new ATOM 0 HA GLU A 35 10.952 -5.390 5.695 1.00 0.00 H new ATOM 0 HB2 GLU A 35 12.542 -7.538 5.163 1.00 0.00 H new ATOM 0 HB3 GLU A 35 12.803 -6.623 3.691 1.00 0.00 H new ATOM 0 HG2 GLU A 35 14.481 -5.734 4.969 1.00 0.00 H new ATOM 0 HG3 GLU A 35 13.199 -4.614 5.385 1.00 0.00 H new ATOM 621 N ILE A 36 10.635 -5.765 2.423 1.00 0.00 N ATOM 622 CA ILE A 36 10.360 -5.005 1.206 1.00 0.00 C ATOM 623 C ILE A 36 8.971 -4.356 1.252 1.00 0.00 C ATOM 624 O ILE A 36 8.832 -3.155 1.064 1.00 0.00 O ATOM 625 CB ILE A 36 10.515 -5.895 -0.061 1.00 0.00 C ATOM 626 CG1 ILE A 36 10.795 -5.037 -1.298 1.00 0.00 C ATOM 627 CG2 ILE A 36 9.292 -6.775 -0.297 1.00 0.00 C ATOM 628 CD1 ILE A 36 9.599 -4.242 -1.778 1.00 0.00 C ATOM 0 H ILE A 36 10.705 -6.774 2.292 1.00 0.00 H new ATOM 0 HA ILE A 36 11.098 -4.205 1.148 1.00 0.00 H new ATOM 0 HB ILE A 36 11.366 -6.553 0.115 1.00 0.00 H new ATOM 0 HG12 ILE A 36 11.610 -4.349 -1.074 1.00 0.00 H new ATOM 0 HG13 ILE A 36 11.137 -5.683 -2.106 1.00 0.00 H new ATOM 0 HG21 ILE A 36 9.445 -7.378 -1.192 1.00 0.00 H new ATOM 0 HG22 ILE A 36 9.144 -7.430 0.562 1.00 0.00 H new ATOM 0 HG23 ILE A 36 8.412 -6.146 -0.430 1.00 0.00 H new ATOM 0 HD11 ILE A 36 9.878 -3.661 -2.657 1.00 0.00 H new ATOM 0 HD12 ILE A 36 8.789 -4.924 -2.036 1.00 0.00 H new ATOM 0 HD13 ILE A 36 9.269 -3.568 -0.987 1.00 0.00 H new ATOM 640 N LYS A 37 7.959 -5.167 1.495 1.00 0.00 N ATOM 641 CA LYS A 37 6.559 -4.708 1.552 1.00 0.00 C ATOM 642 C LYS A 37 6.248 -3.846 2.746 1.00 0.00 C ATOM 643 O LYS A 37 5.742 -2.740 2.592 1.00 0.00 O ATOM 644 CB LYS A 37 5.597 -5.895 1.508 1.00 0.00 C ATOM 645 CG LYS A 37 5.636 -6.667 0.200 1.00 0.00 C ATOM 646 CD LYS A 37 5.201 -8.113 0.394 1.00 0.00 C ATOM 647 CE LYS A 37 3.765 -8.330 -0.055 1.00 0.00 C ATOM 648 NZ LYS A 37 2.952 -9.001 0.998 1.00 0.00 N ATOM 0 H LYS A 37 8.071 -6.167 1.661 1.00 0.00 H new ATOM 0 HA LYS A 37 6.421 -4.082 0.670 1.00 0.00 H new ATOM 0 HB2 LYS A 37 5.834 -6.574 2.327 1.00 0.00 H new ATOM 0 HB3 LYS A 37 4.582 -5.535 1.677 1.00 0.00 H new ATOM 0 HG2 LYS A 37 4.984 -6.184 -0.528 1.00 0.00 H new ATOM 0 HG3 LYS A 37 6.646 -6.641 -0.209 1.00 0.00 H new ATOM 0 HD2 LYS A 37 5.862 -8.771 -0.169 1.00 0.00 H new ATOM 0 HD3 LYS A 37 5.299 -8.385 1.445 1.00 0.00 H new ATOM 0 HE2 LYS A 37 3.314 -7.370 -0.306 1.00 0.00 H new ATOM 0 HE3 LYS A 37 3.755 -8.934 -0.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 1.979 -9.132 0.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 3.368 -9.928 1.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 2.940 -8.412 1.855 1.00 0.00 H new ATOM 662 N GLU A 38 6.518 -4.319 3.925 1.00 0.00 N ATOM 663 CA GLU A 38 6.211 -3.515 5.072 1.00 0.00 C ATOM 664 C GLU A 38 7.019 -2.221 5.052 1.00 0.00 C ATOM 665 O GLU A 38 6.458 -1.136 5.137 1.00 0.00 O ATOM 666 CB GLU A 38 6.465 -4.285 6.339 1.00 0.00 C ATOM 667 CG GLU A 38 5.699 -5.594 6.428 1.00 0.00 C ATOM 668 CD GLU A 38 5.734 -6.195 7.819 1.00 0.00 C ATOM 669 OE1 GLU A 38 6.846 -6.393 8.353 1.00 0.00 O ATOM 670 OE2 GLU A 38 4.649 -6.471 8.376 1.00 0.00 O ATOM 0 H GLU A 38 6.937 -5.229 4.118 1.00 0.00 H new ATOM 0 HA GLU A 38 5.153 -3.255 5.038 1.00 0.00 H new ATOM 0 HB2 GLU A 38 7.532 -4.494 6.418 1.00 0.00 H new ATOM 0 HB3 GLU A 38 6.198 -3.661 7.192 1.00 0.00 H new ATOM 0 HG2 GLU A 38 4.663 -5.425 6.135 1.00 0.00 H new ATOM 0 HG3 GLU A 38 6.119 -6.306 5.718 1.00 0.00 H new ATOM 677 N LEU A 39 8.333 -2.317 4.916 1.00 0.00 N ATOM 678 CA LEU A 39 9.148 -1.113 4.887 1.00 0.00 C ATOM 679 C LEU A 39 8.644 -0.142 3.818 1.00 0.00 C ATOM 680 O LEU A 39 8.725 1.071 4.001 1.00 0.00 O ATOM 681 CB LEU A 39 10.626 -1.465 4.686 1.00 0.00 C ATOM 682 CG LEU A 39 11.447 -0.451 3.904 1.00 0.00 C ATOM 683 CD1 LEU A 39 12.896 -0.457 4.368 1.00 0.00 C ATOM 684 CD2 LEU A 39 11.356 -0.748 2.419 1.00 0.00 C ATOM 0 H LEU A 39 8.847 -3.193 4.826 1.00 0.00 H new ATOM 0 HA LEU A 39 9.059 -0.610 5.850 1.00 0.00 H new ATOM 0 HB2 LEU A 39 11.085 -1.598 5.666 1.00 0.00 H new ATOM 0 HB3 LEU A 39 10.685 -2.425 4.173 1.00 0.00 H new ATOM 0 HG LEU A 39 11.042 0.544 4.088 1.00 0.00 H new ATOM 0 HD11 LEU A 39 13.465 0.276 3.795 1.00 0.00 H new ATOM 0 HD12 LEU A 39 12.940 -0.203 5.427 1.00 0.00 H new ATOM 0 HD13 LEU A 39 13.323 -1.448 4.215 1.00 0.00 H new ATOM 0 HD21 LEU A 39 11.946 -0.018 1.865 1.00 0.00 H new ATOM 0 HD22 LEU A 39 11.741 -1.749 2.224 1.00 0.00 H new ATOM 0 HD23 LEU A 39 10.315 -0.691 2.100 1.00 0.00 H new ATOM 696 N ILE A 40 8.096 -0.668 2.722 1.00 0.00 N ATOM 697 CA ILE A 40 7.566 0.200 1.676 1.00 0.00 C ATOM 698 C ILE A 40 6.214 0.796 2.066 1.00 0.00 C ATOM 699 O ILE A 40 6.065 2.007 2.031 1.00 0.00 O ATOM 700 CB ILE A 40 7.514 -0.478 0.291 1.00 0.00 C ATOM 701 CG1 ILE A 40 6.559 -1.651 0.274 1.00 0.00 C ATOM 702 CG2 ILE A 40 8.912 -0.930 -0.112 1.00 0.00 C ATOM 703 CD1 ILE A 40 6.607 -2.412 -1.027 1.00 0.00 C ATOM 0 H ILE A 40 8.009 -1.668 2.539 1.00 0.00 H new ATOM 0 HA ILE A 40 8.275 1.023 1.581 1.00 0.00 H new ATOM 0 HB ILE A 40 7.144 0.253 -0.428 1.00 0.00 H new ATOM 0 HG12 ILE A 40 6.801 -2.325 1.095 1.00 0.00 H new ATOM 0 HG13 ILE A 40 5.544 -1.292 0.445 1.00 0.00 H new ATOM 0 HG21 ILE A 40 8.872 -1.408 -1.091 1.00 0.00 H new ATOM 0 HG22 ILE A 40 9.575 -0.066 -0.158 1.00 0.00 H new ATOM 0 HG23 ILE A 40 9.291 -1.640 0.623 1.00 0.00 H new ATOM 0 HD11 ILE A 40 5.904 -3.244 -0.988 1.00 0.00 H new ATOM 0 HD12 ILE A 40 6.338 -1.747 -1.848 1.00 0.00 H new ATOM 0 HD13 ILE A 40 7.614 -2.796 -1.187 1.00 0.00 H new ATOM 715 N ALA A 41 5.241 -0.032 2.457 1.00 0.00 N ATOM 716 CA ALA A 41 3.915 0.478 2.858 1.00 0.00 C ATOM 717 C ALA A 41 3.986 1.364 4.085 1.00 0.00 C ATOM 718 O ALA A 41 3.412 2.463 4.142 1.00 0.00 O ATOM 719 CB ALA A 41 2.970 -0.656 3.192 1.00 0.00 C ATOM 0 H ALA A 41 5.338 -1.046 2.506 1.00 0.00 H new ATOM 0 HA ALA A 41 3.554 1.052 2.004 1.00 0.00 H new ATOM 0 HB1 ALA A 41 2.002 -0.249 3.484 1.00 0.00 H new ATOM 0 HB2 ALA A 41 2.846 -1.296 2.318 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.380 -1.241 4.015 1.00 0.00 H new ATOM 725 N LYS A 42 4.664 0.853 5.083 1.00 0.00 N ATOM 726 CA LYS A 42 4.780 1.539 6.340 1.00 0.00 C ATOM 727 C LYS A 42 5.317 2.936 6.107 1.00 0.00 C ATOM 728 O LYS A 42 4.661 3.917 6.475 1.00 0.00 O ATOM 729 CB LYS A 42 5.636 0.674 7.264 1.00 0.00 C ATOM 730 CG LYS A 42 5.126 -0.775 7.292 1.00 0.00 C ATOM 731 CD LYS A 42 5.720 -1.583 8.432 1.00 0.00 C ATOM 732 CE LYS A 42 4.836 -2.780 8.768 1.00 0.00 C ATOM 733 NZ LYS A 42 4.033 -2.551 10.002 1.00 0.00 N ATOM 0 H LYS A 42 5.147 -0.045 5.045 1.00 0.00 H new ATOM 0 HA LYS A 42 3.816 1.679 6.830 1.00 0.00 H new ATOM 0 HB2 LYS A 42 6.673 0.692 6.927 1.00 0.00 H new ATOM 0 HB3 LYS A 42 5.621 1.088 8.272 1.00 0.00 H new ATOM 0 HG2 LYS A 42 4.040 -0.772 7.382 1.00 0.00 H new ATOM 0 HG3 LYS A 42 5.366 -1.259 6.345 1.00 0.00 H new ATOM 0 HD2 LYS A 42 6.717 -1.928 8.158 1.00 0.00 H new ATOM 0 HD3 LYS A 42 5.832 -0.950 9.312 1.00 0.00 H new ATOM 0 HE2 LYS A 42 4.166 -2.982 7.932 1.00 0.00 H new ATOM 0 HE3 LYS A 42 5.458 -3.665 8.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 3.775 -3.466 10.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 4.594 -2.002 10.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 3.169 -2.025 9.761 1.00 0.00 H new ATOM 747 N HIS A 43 6.425 3.032 5.381 1.00 0.00 N ATOM 748 CA HIS A 43 6.969 4.327 5.002 1.00 0.00 C ATOM 749 C HIS A 43 5.962 5.025 4.126 1.00 0.00 C ATOM 750 O HIS A 43 5.670 6.205 4.285 1.00 0.00 O ATOM 751 CB HIS A 43 8.235 4.157 4.189 1.00 0.00 C ATOM 752 CG HIS A 43 9.495 4.207 4.998 1.00 0.00 C ATOM 753 ND1 HIS A 43 10.109 5.387 5.361 1.00 0.00 N ATOM 754 CD2 HIS A 43 10.256 3.214 5.514 1.00 0.00 C ATOM 755 CE1 HIS A 43 11.193 5.117 6.067 1.00 0.00 C ATOM 756 NE2 HIS A 43 11.305 3.806 6.174 1.00 0.00 N ATOM 0 H HIS A 43 6.961 2.232 5.045 1.00 0.00 H new ATOM 0 HA HIS A 43 7.187 4.895 5.906 1.00 0.00 H new ATOM 0 HB2 HIS A 43 8.191 3.203 3.664 1.00 0.00 H new ATOM 0 HB3 HIS A 43 8.273 4.937 3.429 1.00 0.00 H new ATOM 0 HD2 HIS A 43 10.073 2.154 5.424 1.00 0.00 H new ATOM 0 HE1 HIS A 43 11.872 5.845 6.485 1.00 0.00 H new ATOM 0 HE2 HIS A 43 12.050 3.313 6.667 1.00 0.00 H new ATOM 765 N GLU A 44 5.426 4.241 3.201 1.00 0.00 N ATOM 766 CA GLU A 44 4.425 4.689 2.254 1.00 0.00 C ATOM 767 C GLU A 44 3.356 5.521 2.931 1.00 0.00 C ATOM 768 O GLU A 44 2.596 6.231 2.275 1.00 0.00 O ATOM 769 CB GLU A 44 3.816 3.489 1.571 1.00 0.00 C ATOM 770 CG GLU A 44 4.327 3.275 0.156 1.00 0.00 C ATOM 771 CD GLU A 44 4.910 1.909 -0.104 1.00 0.00 C ATOM 772 OE1 GLU A 44 4.173 0.908 0.001 1.00 0.00 O ATOM 773 OE2 GLU A 44 6.111 1.843 -0.428 1.00 0.00 O ATOM 0 H GLU A 44 5.682 3.260 3.089 1.00 0.00 H new ATOM 0 HA GLU A 44 4.905 5.326 1.511 1.00 0.00 H new ATOM 0 HB2 GLU A 44 4.025 2.598 2.163 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.733 3.607 1.544 1.00 0.00 H new ATOM 0 HG2 GLU A 44 3.506 3.443 -0.541 1.00 0.00 H new ATOM 0 HG3 GLU A 44 5.087 4.026 -0.059 1.00 0.00 H new ATOM 780 N GLY A 45 3.287 5.412 4.243 1.00 0.00 N ATOM 781 CA GLY A 45 2.299 6.145 4.980 1.00 0.00 C ATOM 782 C GLY A 45 1.166 5.218 5.317 1.00 0.00 C ATOM 783 O GLY A 45 0.011 5.632 5.416 1.00 0.00 O ATOM 0 H GLY A 45 3.901 4.826 4.809 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.735 6.556 5.891 1.00 0.00 H new ATOM 0 HA3 GLY A 45 1.936 6.988 4.391 1.00 0.00 H new ATOM 787 N VAL A 46 1.497 3.927 5.401 1.00 0.00 N ATOM 788 CA VAL A 46 0.483 2.908 5.626 1.00 0.00 C ATOM 789 C VAL A 46 1.012 1.651 6.315 1.00 0.00 C ATOM 790 O VAL A 46 2.209 1.461 6.440 1.00 0.00 O ATOM 791 CB VAL A 46 -0.162 2.536 4.285 1.00 0.00 C ATOM 792 CG1 VAL A 46 -1.364 3.437 4.021 1.00 0.00 C ATOM 793 CG2 VAL A 46 0.855 2.641 3.141 1.00 0.00 C ATOM 0 H VAL A 46 2.449 3.571 5.317 1.00 0.00 H new ATOM 0 HA VAL A 46 -0.251 3.338 6.307 1.00 0.00 H new ATOM 0 HB VAL A 46 -0.501 1.501 4.336 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.818 3.168 3.067 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -2.095 3.311 4.819 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.039 4.477 3.988 1.00 0.00 H new ATOM 0 HG21 VAL A 46 0.374 2.372 2.201 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.228 3.663 3.079 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.687 1.962 3.330 1.00 0.00 H new ATOM 803 N ASP A 47 0.097 0.789 6.754 1.00 0.00 N ATOM 804 CA ASP A 47 0.463 -0.461 7.430 1.00 0.00 C ATOM 805 C ASP A 47 0.853 -1.565 6.440 1.00 0.00 C ATOM 806 O ASP A 47 0.868 -1.361 5.226 1.00 0.00 O ATOM 807 CB ASP A 47 -0.702 -0.948 8.287 1.00 0.00 C ATOM 808 CG ASP A 47 -1.377 0.175 9.050 1.00 0.00 C ATOM 809 OD1 ASP A 47 -0.660 1.050 9.577 1.00 0.00 O ATOM 810 OD2 ASP A 47 -2.625 0.179 9.119 1.00 0.00 O ATOM 0 H ASP A 47 -0.908 0.931 6.655 1.00 0.00 H new ATOM 0 HA ASP A 47 1.331 -0.247 8.053 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -1.436 -1.441 7.649 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -0.341 -1.696 8.993 1.00 0.00 H new ATOM 815 N LYS A 48 1.165 -2.743 6.990 1.00 0.00 N ATOM 816 CA LYS A 48 1.564 -3.915 6.209 1.00 0.00 C ATOM 817 C LYS A 48 0.408 -4.475 5.381 1.00 0.00 C ATOM 818 O LYS A 48 0.621 -5.114 4.354 1.00 0.00 O ATOM 819 CB LYS A 48 2.108 -5.004 7.137 1.00 0.00 C ATOM 820 CG LYS A 48 1.061 -5.590 8.073 1.00 0.00 C ATOM 821 CD LYS A 48 1.043 -4.871 9.411 1.00 0.00 C ATOM 822 CE LYS A 48 0.602 -5.794 10.536 1.00 0.00 C ATOM 823 NZ LYS A 48 0.901 -5.220 11.876 1.00 0.00 N ATOM 0 H LYS A 48 1.147 -2.910 7.996 1.00 0.00 H new ATOM 0 HA LYS A 48 2.343 -3.594 5.517 1.00 0.00 H new ATOM 0 HB2 LYS A 48 2.531 -5.806 6.532 1.00 0.00 H new ATOM 0 HB3 LYS A 48 2.922 -4.589 7.731 1.00 0.00 H new ATOM 0 HG2 LYS A 48 0.077 -5.521 7.609 1.00 0.00 H new ATOM 0 HG3 LYS A 48 1.265 -6.649 8.231 1.00 0.00 H new ATOM 0 HD2 LYS A 48 2.037 -4.481 9.628 1.00 0.00 H new ATOM 0 HD3 LYS A 48 0.370 -4.016 9.356 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -0.468 -5.982 10.453 1.00 0.00 H new ATOM 0 HE3 LYS A 48 1.104 -6.756 10.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 0.585 -5.880 12.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 1.925 -5.064 11.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 0.402 -4.314 11.985 1.00 0.00 H new ATOM 837 N GLU A 49 -0.815 -4.257 5.835 1.00 0.00 N ATOM 838 CA GLU A 49 -1.983 -4.758 5.118 1.00 0.00 C ATOM 839 C GLU A 49 -2.217 -3.934 3.853 1.00 0.00 C ATOM 840 O GLU A 49 -2.554 -4.464 2.802 1.00 0.00 O ATOM 841 CB GLU A 49 -3.212 -4.704 6.019 1.00 0.00 C ATOM 842 CG GLU A 49 -3.684 -6.068 6.491 1.00 0.00 C ATOM 843 CD GLU A 49 -3.912 -7.035 5.344 1.00 0.00 C ATOM 844 OE1 GLU A 49 -4.972 -6.941 4.689 1.00 0.00 O ATOM 845 OE2 GLU A 49 -3.030 -7.886 5.100 1.00 0.00 O ATOM 0 H GLU A 49 -1.027 -3.741 6.689 1.00 0.00 H new ATOM 0 HA GLU A 49 -1.804 -5.794 4.831 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -2.987 -4.086 6.889 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -4.024 -4.214 5.482 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -2.945 -6.488 7.174 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -4.610 -5.953 7.054 1.00 0.00 H new ATOM 852 N LEU A 50 -2.054 -2.630 3.997 1.00 0.00 N ATOM 853 CA LEU A 50 -2.248 -1.662 2.944 1.00 0.00 C ATOM 854 C LEU A 50 -1.111 -1.625 1.925 1.00 0.00 C ATOM 855 O LEU A 50 -0.973 -0.632 1.233 1.00 0.00 O ATOM 856 CB LEU A 50 -2.377 -0.265 3.588 1.00 0.00 C ATOM 857 CG LEU A 50 -2.756 -0.214 5.082 1.00 0.00 C ATOM 858 CD1 LEU A 50 -3.115 1.207 5.489 1.00 0.00 C ATOM 859 CD2 LEU A 50 -3.907 -1.162 5.414 1.00 0.00 C ATOM 0 H LEU A 50 -1.774 -2.207 4.882 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.147 -1.954 2.402 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.427 0.255 3.462 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.125 0.297 3.030 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.885 -0.543 5.649 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.380 1.227 6.546 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.261 1.862 5.317 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.962 1.552 4.896 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.140 -1.093 6.477 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -4.786 -0.886 4.831 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.618 -2.185 5.172 1.00 0.00 H new ATOM 871 N VAL A 51 -0.285 -2.668 1.814 1.00 0.00 N ATOM 872 CA VAL A 51 0.816 -2.589 0.850 1.00 0.00 C ATOM 873 C VAL A 51 0.554 -3.301 -0.480 1.00 0.00 C ATOM 874 O VAL A 51 0.542 -4.530 -0.551 1.00 0.00 O ATOM 875 CB VAL A 51 2.097 -3.220 1.437 1.00 0.00 C ATOM 876 CG1 VAL A 51 3.322 -2.439 1.009 1.00 0.00 C ATOM 877 CG2 VAL A 51 2.016 -3.334 2.957 1.00 0.00 C ATOM 0 H VAL A 51 -0.348 -3.535 2.348 1.00 0.00 H new ATOM 0 HA VAL A 51 0.923 -1.522 0.655 1.00 0.00 H new ATOM 0 HB VAL A 51 2.185 -4.232 1.041 1.00 0.00 H new ATOM 0 HG11 VAL A 51 4.214 -2.900 1.433 1.00 0.00 H new ATOM 0 HG12 VAL A 51 3.394 -2.442 -0.079 1.00 0.00 H new ATOM 0 HG13 VAL A 51 3.241 -1.412 1.364 1.00 0.00 H new ATOM 0 HG21 VAL A 51 2.934 -3.782 3.338 1.00 0.00 H new ATOM 0 HG22 VAL A 51 1.890 -2.342 3.390 1.00 0.00 H new ATOM 0 HG23 VAL A 51 1.166 -3.960 3.230 1.00 0.00 H new ATOM 887 N ILE A 52 0.473 -2.505 -1.549 1.00 0.00 N ATOM 888 CA ILE A 52 0.362 -3.024 -2.908 1.00 0.00 C ATOM 889 C ILE A 52 1.341 -2.275 -3.815 1.00 0.00 C ATOM 890 O ILE A 52 1.075 -1.128 -4.174 1.00 0.00 O ATOM 891 CB ILE A 52 -1.069 -2.931 -3.490 1.00 0.00 C ATOM 892 CG1 ILE A 52 -1.763 -1.642 -3.040 1.00 0.00 C ATOM 893 CG2 ILE A 52 -1.876 -4.164 -3.096 1.00 0.00 C ATOM 894 CD1 ILE A 52 -3.255 -1.620 -3.298 1.00 0.00 C ATOM 0 H ILE A 52 0.483 -1.487 -1.494 1.00 0.00 H new ATOM 0 HA ILE A 52 0.607 -4.085 -2.864 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.002 -2.900 -4.577 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -1.588 -1.501 -1.973 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -1.304 -0.797 -3.553 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.881 -4.089 -3.510 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.389 -5.058 -3.486 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.935 -4.228 -2.010 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -3.670 -0.674 -2.951 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -3.441 -1.728 -4.367 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -3.729 -2.443 -2.763 1.00 0.00 H new ATOM 906 N VAL A 53 2.453 -2.883 -4.212 1.00 0.00 N ATOM 907 CA VAL A 53 3.389 -2.176 -5.089 1.00 0.00 C ATOM 908 C VAL A 53 3.863 -3.060 -6.247 1.00 0.00 C ATOM 909 O VAL A 53 4.538 -4.071 -6.043 1.00 0.00 O ATOM 910 CB VAL A 53 4.599 -1.586 -4.306 1.00 0.00 C ATOM 911 CG1 VAL A 53 4.204 -1.160 -2.897 1.00 0.00 C ATOM 912 CG2 VAL A 53 5.762 -2.556 -4.240 1.00 0.00 C ATOM 0 H VAL A 53 2.726 -3.831 -3.954 1.00 0.00 H new ATOM 0 HA VAL A 53 2.838 -1.337 -5.515 1.00 0.00 H new ATOM 0 HB VAL A 53 4.920 -0.704 -4.861 1.00 0.00 H new ATOM 0 HG11 VAL A 53 5.075 -0.754 -2.382 1.00 0.00 H new ATOM 0 HG12 VAL A 53 3.426 -0.398 -2.952 1.00 0.00 H new ATOM 0 HG13 VAL A 53 3.828 -2.023 -2.348 1.00 0.00 H new ATOM 0 HG21 VAL A 53 6.583 -2.102 -3.685 1.00 0.00 H new ATOM 0 HG22 VAL A 53 5.445 -3.470 -3.737 1.00 0.00 H new ATOM 0 HG23 VAL A 53 6.095 -2.794 -5.250 1.00 0.00 H new ATOM 922 N ASP A 54 3.486 -2.668 -7.463 1.00 0.00 N ATOM 923 CA ASP A 54 3.847 -3.408 -8.672 1.00 0.00 C ATOM 924 C ASP A 54 4.761 -2.598 -9.597 1.00 0.00 C ATOM 925 O ASP A 54 4.749 -1.367 -9.579 1.00 0.00 O ATOM 926 CB ASP A 54 2.587 -3.823 -9.434 1.00 0.00 C ATOM 927 CG ASP A 54 1.863 -4.975 -8.768 1.00 0.00 C ATOM 928 OD1 ASP A 54 2.259 -6.138 -8.998 1.00 0.00 O ATOM 929 OD2 ASP A 54 0.900 -4.716 -8.014 1.00 0.00 O ATOM 0 H ASP A 54 2.925 -1.834 -7.638 1.00 0.00 H new ATOM 0 HA ASP A 54 4.397 -4.293 -8.353 1.00 0.00 H new ATOM 0 HB2 ASP A 54 1.914 -2.969 -9.510 1.00 0.00 H new ATOM 0 HB3 ASP A 54 2.858 -4.107 -10.451 1.00 0.00 H new ATOM 934 N ASN A 55 5.525 -3.309 -10.428 1.00 0.00 N ATOM 935 CA ASN A 55 6.426 -2.688 -11.405 1.00 0.00 C ATOM 936 C ASN A 55 7.654 -2.036 -10.755 1.00 0.00 C ATOM 937 O ASN A 55 8.662 -2.706 -10.535 1.00 0.00 O ATOM 938 CB ASN A 55 5.664 -1.673 -12.266 1.00 0.00 C ATOM 939 CG ASN A 55 6.545 -1.021 -13.314 1.00 0.00 C ATOM 940 OD1 ASN A 55 7.348 -0.141 -13.006 1.00 0.00 O ATOM 941 ND2 ASN A 55 6.399 -1.453 -14.562 1.00 0.00 N ATOM 0 H ASN A 55 5.538 -4.329 -10.444 1.00 0.00 H new ATOM 0 HA ASN A 55 6.801 -3.489 -12.042 1.00 0.00 H new ATOM 0 HB2 ASN A 55 4.830 -2.173 -12.758 1.00 0.00 H new ATOM 0 HB3 ASN A 55 5.239 -0.902 -11.623 1.00 0.00 H new ATOM 0 HD21 ASN A 55 6.965 -1.053 -15.310 1.00 0.00 H new ATOM 0 HD22 ASN A 55 5.721 -2.185 -14.772 1.00 0.00 H new ATOM 948 N ASN A 56 7.572 -0.727 -10.477 1.00 0.00 N ATOM 949 CA ASN A 56 8.683 0.023 -9.877 1.00 0.00 C ATOM 950 C ASN A 56 9.601 0.598 -10.962 1.00 0.00 C ATOM 951 O ASN A 56 10.322 -0.141 -11.631 1.00 0.00 O ATOM 952 CB ASN A 56 9.495 -0.847 -8.911 1.00 0.00 C ATOM 953 CG ASN A 56 8.610 -1.660 -7.982 1.00 0.00 C ATOM 954 OD1 ASN A 56 7.458 -1.305 -7.737 1.00 0.00 O ATOM 955 ND2 ASN A 56 9.146 -2.756 -7.459 1.00 0.00 N ATOM 0 H ASN A 56 6.742 -0.163 -10.660 1.00 0.00 H new ATOM 0 HA ASN A 56 8.248 0.845 -9.309 1.00 0.00 H new ATOM 0 HB2 ASN A 56 10.134 -1.521 -9.482 1.00 0.00 H new ATOM 0 HB3 ASN A 56 10.152 -0.211 -8.318 1.00 0.00 H new ATOM 0 HD21 ASN A 56 8.598 -3.340 -6.827 1.00 0.00 H new ATOM 0 HD22 ASN A 56 10.106 -3.014 -7.689 1.00 0.00 H new ATOM 962 N LYS A 57 9.571 1.923 -11.124 1.00 0.00 N ATOM 963 CA LYS A 57 10.402 2.598 -12.122 1.00 0.00 C ATOM 964 C LYS A 57 11.846 2.695 -11.629 1.00 0.00 C ATOM 965 O LYS A 57 12.135 3.369 -10.645 1.00 0.00 O ATOM 966 CB LYS A 57 9.842 4.002 -12.421 1.00 0.00 C ATOM 967 CG LYS A 57 10.210 5.061 -11.381 1.00 0.00 C ATOM 968 CD LYS A 57 9.070 6.041 -11.132 1.00 0.00 C ATOM 969 CE LYS A 57 9.441 7.078 -10.077 1.00 0.00 C ATOM 970 NZ LYS A 57 9.217 8.467 -10.564 1.00 0.00 N ATOM 0 H LYS A 57 8.980 2.549 -10.577 1.00 0.00 H new ATOM 0 HA LYS A 57 10.387 2.015 -13.043 1.00 0.00 H new ATOM 0 HB2 LYS A 57 10.206 4.325 -13.396 1.00 0.00 H new ATOM 0 HB3 LYS A 57 8.756 3.940 -12.491 1.00 0.00 H new ATOM 0 HG2 LYS A 57 10.477 4.571 -10.445 1.00 0.00 H new ATOM 0 HG3 LYS A 57 11.091 5.608 -11.717 1.00 0.00 H new ATOM 0 HD2 LYS A 57 8.813 6.545 -12.064 1.00 0.00 H new ATOM 0 HD3 LYS A 57 8.184 5.495 -10.810 1.00 0.00 H new ATOM 0 HE2 LYS A 57 8.850 6.909 -9.177 1.00 0.00 H new ATOM 0 HE3 LYS A 57 10.488 6.955 -9.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 9.481 9.143 -9.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 9.800 8.637 -11.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 8.213 8.592 -10.806 1.00 0.00 H new ATOM 984 N GLN A 58 12.749 2.008 -12.306 1.00 0.00 N ATOM 985 CA GLN A 58 14.150 2.010 -11.906 1.00 0.00 C ATOM 986 C GLN A 58 14.925 3.155 -12.552 1.00 0.00 C ATOM 987 O GLN A 58 14.853 3.367 -13.763 1.00 0.00 O ATOM 988 CB GLN A 58 14.803 0.675 -12.262 1.00 0.00 C ATOM 989 CG GLN A 58 15.826 0.207 -11.238 1.00 0.00 C ATOM 990 CD GLN A 58 16.340 -1.190 -11.525 1.00 0.00 C ATOM 991 OE1 GLN A 58 17.550 -1.418 -11.583 1.00 0.00 O ATOM 992 NE2 GLN A 58 15.425 -2.134 -11.706 1.00 0.00 N ATOM 0 H GLN A 58 12.542 1.444 -13.130 1.00 0.00 H new ATOM 0 HA GLN A 58 14.181 2.155 -10.826 1.00 0.00 H new ATOM 0 HB2 GLN A 58 14.027 -0.084 -12.362 1.00 0.00 H new ATOM 0 HB3 GLN A 58 15.288 0.765 -13.234 1.00 0.00 H new ATOM 0 HG2 GLN A 58 16.665 0.903 -11.223 1.00 0.00 H new ATOM 0 HG3 GLN A 58 15.377 0.228 -10.245 1.00 0.00 H new ATOM 0 HE21 GLN A 58 14.434 -1.901 -11.649 1.00 0.00 H new ATOM 0 HE22 GLN A 58 15.713 -3.093 -11.902 1.00 0.00 H new ATOM 1063 N HIS A 63 21.982 1.550 -6.725 1.00 0.00 N ATOM 1064 CA HIS A 63 21.664 0.127 -6.642 1.00 0.00 C ATOM 1065 C HIS A 63 20.349 -0.094 -5.903 1.00 0.00 C ATOM 1066 O HIS A 63 20.188 -1.079 -5.185 1.00 0.00 O ATOM 1067 CB HIS A 63 22.792 -0.634 -5.937 1.00 0.00 C ATOM 1068 CG HIS A 63 24.158 -0.087 -6.218 1.00 0.00 C ATOM 1069 ND1 HIS A 63 24.704 0.971 -5.521 1.00 0.00 N ATOM 1070 CD2 HIS A 63 25.092 -0.457 -7.128 1.00 0.00 C ATOM 1071 CE1 HIS A 63 25.911 1.229 -5.990 1.00 0.00 C ATOM 1072 NE2 HIS A 63 26.171 0.375 -6.964 1.00 0.00 N ATOM 0 HA HIS A 63 21.560 -0.254 -7.658 1.00 0.00 H new ATOM 0 HB2 HIS A 63 22.616 -0.612 -4.862 1.00 0.00 H new ATOM 0 HB3 HIS A 63 22.759 -1.679 -6.244 1.00 0.00 H new ATOM 0 HD2 HIS A 63 25.004 -1.257 -7.848 1.00 0.00 H new ATOM 0 HE1 HIS A 63 26.573 2.006 -5.637 1.00 0.00 H new ATOM 0 HE2 HIS A 63 27.034 0.340 -7.506 1.00 0.00 H new ATOM 1081 N GLU A 64 19.422 0.843 -6.064 1.00 0.00 N ATOM 1082 CA GLU A 64 18.141 0.786 -5.413 1.00 0.00 C ATOM 1083 C GLU A 64 17.040 0.953 -6.443 1.00 10.00 C ATOM 1084 O GLU A 64 17.290 1.453 -7.541 1.00 10.00 O ATOM 1085 CB GLU A 64 18.103 1.832 -4.321 1.00 0.00 C ATOM 1086 CG GLU A 64 19.266 1.650 -3.361 1.00 0.00 C ATOM 1087 CD GLU A 64 20.491 2.448 -3.761 1.00 0.00 C ATOM 1088 OE1 GLU A 64 20.458 3.688 -3.636 1.00 0.00 O ATOM 1089 OE2 GLU A 64 21.484 1.830 -4.200 1.00 0.00 O ATOM 0 H GLU A 64 19.549 1.664 -6.656 1.00 0.00 H new ATOM 0 HA GLU A 64 17.980 -0.183 -4.941 1.00 0.00 H new ATOM 0 HB2 GLU A 64 18.142 2.828 -4.763 1.00 0.00 H new ATOM 0 HB3 GLU A 64 17.161 1.762 -3.776 1.00 0.00 H new ATOM 0 HG2 GLU A 64 18.955 1.949 -2.360 1.00 0.00 H new ATOM 0 HG3 GLU A 64 19.527 0.593 -3.311 1.00 0.00 H new ATOM 1096 N ILE A 65 15.844 0.482 -6.132 1.00 10.00 N ATOM 1097 CA ILE A 65 14.759 0.538 -7.096 1.00 0.00 C ATOM 1098 C ILE A 65 13.687 1.516 -6.654 1.00 0.00 C ATOM 1099 O ILE A 65 13.289 1.564 -5.490 1.00 0.00 O ATOM 1100 CB ILE A 65 14.127 -0.857 -7.289 1.00 0.00 C ATOM 1101 CG1 ILE A 65 13.490 -0.975 -8.676 1.00 0.00 C ATOM 1102 CG2 ILE A 65 13.101 -1.135 -6.201 1.00 0.00 C ATOM 1103 CD1 ILE A 65 12.496 -2.111 -8.791 1.00 0.00 C ATOM 0 H ILE A 65 15.602 0.063 -5.234 1.00 10.00 H new ATOM 0 HA ILE A 65 15.180 0.877 -8.042 1.00 0.00 H new ATOM 0 HB ILE A 65 14.917 -1.604 -7.213 1.00 0.00 H new ATOM 0 HG12 ILE A 65 12.988 -0.038 -8.917 1.00 0.00 H new ATOM 0 HG13 ILE A 65 14.277 -1.115 -9.417 1.00 0.00 H new ATOM 0 HG21 ILE A 65 12.667 -2.123 -6.354 1.00 0.00 H new ATOM 0 HG22 ILE A 65 13.586 -1.099 -5.226 1.00 0.00 H new ATOM 0 HG23 ILE A 65 12.314 -0.382 -6.242 1.00 0.00 H new ATOM 0 HD11 ILE A 65 12.085 -2.134 -9.800 1.00 0.00 H new ATOM 0 HD12 ILE A 65 12.998 -3.056 -8.582 1.00 0.00 H new ATOM 0 HD13 ILE A 65 11.689 -1.962 -8.074 1.00 0.00 H new ATOM 1115 N GLU A 66 13.276 2.330 -7.617 1.00 0.00 N ATOM 1116 CA GLU A 66 12.298 3.382 -7.408 1.00 0.00 C ATOM 1117 C GLU A 66 11.049 3.132 -8.228 1.00 0.00 C ATOM 1118 O GLU A 66 11.039 2.294 -9.125 1.00 0.00 O ATOM 1119 CB GLU A 66 12.917 4.724 -7.805 1.00 0.00 C ATOM 1120 CG GLU A 66 12.308 5.924 -7.106 1.00 0.00 C ATOM 1121 CD GLU A 66 12.574 7.223 -7.841 1.00 0.00 C ATOM 1122 OE1 GLU A 66 13.753 7.503 -8.142 1.00 0.00 O ATOM 1123 OE2 GLU A 66 11.601 7.958 -8.115 1.00 0.00 O ATOM 0 H GLU A 66 13.618 2.275 -8.576 1.00 0.00 H new ATOM 0 HA GLU A 66 12.015 3.396 -6.355 1.00 0.00 H new ATOM 0 HB2 GLU A 66 13.985 4.696 -7.589 1.00 0.00 H new ATOM 0 HB3 GLU A 66 12.813 4.854 -8.882 1.00 0.00 H new ATOM 0 HG2 GLU A 66 11.232 5.778 -7.012 1.00 0.00 H new ATOM 0 HG3 GLU A 66 12.710 5.994 -6.095 1.00 0.00 H new ATOM 1130 N GLY A 67 9.989 3.845 -7.897 1.00 0.00 N ATOM 1131 CA GLY A 67 8.748 3.687 -8.607 1.00 0.00 C ATOM 1132 C GLY A 67 7.608 4.347 -7.894 1.00 0.00 C ATOM 1133 O GLY A 67 7.803 5.303 -7.141 1.00 0.00 O ATOM 0 H GLY A 67 9.968 4.533 -7.145 1.00 0.00 H new ATOM 0 HA2 GLY A 67 8.845 4.111 -9.606 1.00 0.00 H new ATOM 0 HA3 GLY A 67 8.533 2.626 -8.730 1.00 0.00 H new ATOM 1137 N TYR A 68 6.420 3.820 -8.096 1.00 0.00 N ATOM 1138 CA TYR A 68 5.258 4.354 -7.436 1.00 0.00 C ATOM 1139 C TYR A 68 4.591 3.245 -6.659 1.00 0.00 C ATOM 1140 O TYR A 68 4.411 2.133 -7.156 1.00 0.00 O ATOM 1141 CB TYR A 68 4.286 4.956 -8.453 1.00 0.00 C ATOM 1142 CG TYR A 68 3.995 6.422 -8.224 1.00 0.00 C ATOM 1143 CD1 TYR A 68 5.022 7.357 -8.191 1.00 0.00 C ATOM 1144 CD2 TYR A 68 2.693 6.872 -8.043 1.00 0.00 C ATOM 1145 CE1 TYR A 68 4.761 8.698 -7.983 1.00 0.00 C ATOM 1146 CE2 TYR A 68 2.424 8.211 -7.837 1.00 0.00 C ATOM 1147 CZ TYR A 68 3.459 9.120 -7.807 1.00 0.00 C ATOM 1148 OH TYR A 68 3.194 10.455 -7.603 1.00 0.00 O ATOM 0 H TYR A 68 6.238 3.026 -8.710 1.00 0.00 H new ATOM 0 HA TYR A 68 5.559 5.150 -6.756 1.00 0.00 H new ATOM 0 HB2 TYR A 68 4.697 4.829 -9.454 1.00 0.00 H new ATOM 0 HB3 TYR A 68 3.349 4.400 -8.420 1.00 0.00 H new ATOM 0 HD1 TYR A 68 6.042 7.030 -8.330 1.00 0.00 H new ATOM 0 HD2 TYR A 68 1.878 6.163 -8.064 1.00 0.00 H new ATOM 0 HE1 TYR A 68 5.571 9.412 -7.958 1.00 0.00 H new ATOM 0 HE2 TYR A 68 1.406 8.544 -7.700 1.00 0.00 H new ATOM 0 HH TYR A 68 2.228 10.585 -7.498 1.00 0.00 H new ATOM 1158 N THR A 69 4.255 3.551 -5.429 1.00 0.00 N ATOM 1159 CA THR A 69 3.634 2.589 -4.551 1.00 0.00 C ATOM 1160 C THR A 69 2.141 2.876 -4.409 1.00 0.00 C ATOM 1161 O THR A 69 1.720 4.030 -4.368 1.00 0.00 O ATOM 1162 CB THR A 69 4.358 2.628 -3.193 1.00 0.00 C ATOM 1163 OG1 THR A 69 5.076 3.840 -3.048 1.00 0.00 O ATOM 1164 CG2 THR A 69 5.347 1.508 -3.013 1.00 0.00 C ATOM 0 H THR A 69 4.403 4.469 -5.010 1.00 0.00 H new ATOM 0 HA THR A 69 3.722 1.586 -4.969 1.00 0.00 H new ATOM 0 HB THR A 69 3.571 2.530 -2.445 1.00 0.00 H new ATOM 0 HG1 THR A 69 5.841 3.842 -3.660 1.00 0.00 H new ATOM 0 HG21 THR A 69 5.821 1.595 -2.036 1.00 0.00 H new ATOM 0 HG22 THR A 69 4.829 0.551 -3.081 1.00 0.00 H new ATOM 0 HG23 THR A 69 6.108 1.566 -3.792 1.00 0.00 H new ATOM 1172 N LYS A 70 1.348 1.818 -4.334 1.00 0.00 N ATOM 1173 CA LYS A 70 -0.098 1.936 -4.175 1.00 0.00 C ATOM 1174 C LYS A 70 -0.471 1.258 -2.870 1.00 0.00 C ATOM 1175 O LYS A 70 0.127 0.241 -2.521 1.00 0.00 O ATOM 1176 CB LYS A 70 -0.827 1.288 -5.355 1.00 0.00 C ATOM 1177 CG LYS A 70 -2.013 2.097 -5.858 1.00 0.00 C ATOM 1178 CD LYS A 70 -2.872 1.287 -6.815 1.00 0.00 C ATOM 1179 CE LYS A 70 -3.870 0.418 -6.067 1.00 0.00 C ATOM 1180 NZ LYS A 70 -4.189 -0.831 -6.812 1.00 0.00 N ATOM 0 H LYS A 70 1.684 0.856 -4.381 1.00 0.00 H new ATOM 0 HA LYS A 70 -0.394 2.985 -4.153 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -0.121 1.146 -6.174 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -1.173 0.298 -5.058 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -2.618 2.424 -5.012 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -1.655 2.996 -6.360 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -3.405 1.960 -7.486 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -2.234 0.658 -7.436 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -3.466 0.163 -5.087 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -4.787 0.983 -5.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -4.873 -1.395 -6.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -4.598 -0.589 -7.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -3.319 -1.383 -6.953 1.00 0.00 H new ATOM 1194 N ILE A 71 -1.400 1.820 -2.108 1.00 0.00 N ATOM 1195 CA ILE A 71 -1.725 1.197 -0.821 1.00 0.00 C ATOM 1196 C ILE A 71 -3.212 1.097 -0.526 1.00 0.00 C ATOM 1197 O ILE A 71 -3.992 2.014 -0.841 1.00 0.00 O ATOM 1198 CB ILE A 71 -0.981 1.890 0.342 1.00 0.00 C ATOM 1199 CG1 ILE A 71 0.397 1.240 0.519 1.00 0.00 C ATOM 1200 CG2 ILE A 71 -1.779 1.835 1.635 1.00 0.00 C ATOM 1201 CD1 ILE A 71 1.554 2.168 0.245 1.00 0.00 C ATOM 0 H ILE A 71 -1.923 2.665 -2.338 1.00 0.00 H new ATOM 0 HA ILE A 71 -1.374 0.169 -0.909 1.00 0.00 H new ATOM 0 HB ILE A 71 -0.856 2.944 0.095 1.00 0.00 H new ATOM 0 HG12 ILE A 71 0.481 0.863 1.538 1.00 0.00 H new ATOM 0 HG13 ILE A 71 0.469 0.380 -0.146 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -1.221 2.333 2.428 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -2.736 2.337 1.494 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -1.953 0.795 1.912 1.00 0.00 H new ATOM 0 HD11 ILE A 71 2.492 1.633 0.392 1.00 0.00 H new ATOM 0 HD12 ILE A 71 1.498 2.526 -0.783 1.00 0.00 H new ATOM 0 HD13 ILE A 71 1.509 3.017 0.928 1.00 0.00 H new ATOM 1213 N TYR A 72 -3.577 -0.023 0.138 1.00 0.00 N ATOM 1214 CA TYR A 72 -4.969 -0.253 0.538 1.00 0.00 C ATOM 1215 C TYR A 72 -5.150 -0.210 2.066 1.00 0.00 C ATOM 1216 O TYR A 72 -4.652 -1.067 2.826 1.00 0.00 O ATOM 1217 CB TYR A 72 -5.550 -1.548 -0.050 1.00 0.00 C ATOM 1218 CG TYR A 72 -4.732 -2.805 0.159 1.00 0.00 C ATOM 1219 CD1 TYR A 72 -3.453 -2.928 -0.362 1.00 0.00 C ATOM 1220 CD2 TYR A 72 -5.265 -3.888 0.850 1.00 0.00 C ATOM 1221 CE1 TYR A 72 -2.723 -4.089 -0.194 1.00 0.00 C ATOM 1222 CE2 TYR A 72 -4.544 -5.053 1.017 1.00 0.00 C ATOM 1223 CZ TYR A 72 -3.273 -5.149 0.493 1.00 0.00 C ATOM 1224 OH TYR A 72 -2.552 -6.309 0.655 1.00 0.00 O ATOM 0 H TYR A 72 -2.932 -0.768 0.402 1.00 0.00 H new ATOM 0 HA TYR A 72 -5.539 0.574 0.114 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -6.538 -1.707 0.382 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -5.690 -1.405 -1.121 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -3.020 -2.103 -0.908 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -6.260 -3.816 1.263 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -1.725 -4.165 -0.600 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -4.974 -5.885 1.555 1.00 0.00 H new ATOM 0 HH TYR A 72 -2.142 -6.318 1.545 1.00 0.00 H new ATOM 1234 N ALA A 73 -5.860 0.838 2.484 1.00 0.00 N ATOM 1235 CA ALA A 73 -6.157 1.122 3.885 1.00 0.00 C ATOM 1236 C ALA A 73 -7.455 0.462 4.355 1.00 0.00 C ATOM 1237 O ALA A 73 -7.829 0.590 5.519 1.00 0.00 O ATOM 1238 CB ALA A 73 -6.223 2.624 4.102 1.00 0.00 C ATOM 0 H ALA A 73 -6.253 1.527 1.843 1.00 0.00 H new ATOM 0 HA ALA A 73 -5.350 0.697 4.482 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -6.445 2.831 5.149 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -5.265 3.072 3.839 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -7.007 3.048 3.474 1.00 0.00 H new ATOM 1244 N ASP A 74 -8.166 -0.188 3.438 1.00 0.00 N ATOM 1245 CA ASP A 74 -9.455 -0.810 3.751 1.00 0.00 C ATOM 1246 C ASP A 74 -9.317 -2.082 4.595 1.00 0.00 C ATOM 1247 O ASP A 74 -10.321 -2.697 4.957 1.00 0.00 O ATOM 1248 CB ASP A 74 -10.206 -1.133 2.458 1.00 0.00 C ATOM 1249 CG ASP A 74 -9.472 -2.145 1.600 1.00 0.00 C ATOM 1250 OD1 ASP A 74 -9.237 -3.273 2.082 1.00 0.00 O ATOM 1251 OD2 ASP A 74 -9.132 -1.809 0.447 1.00 0.00 O ATOM 0 H ASP A 74 -7.872 -0.299 2.468 1.00 0.00 H new ATOM 0 HA ASP A 74 -10.015 -0.089 4.346 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -11.196 -1.518 2.703 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -10.353 -0.216 1.888 1.00 0.00 H new