USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 594 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 35 CYS SG : rot -108:sc= -0.198 USER MOD Set 1.2: A 69 SER OG : rot -89:sc= 0.744 USER MOD Set 1.3: A 71 THR OG1 : rot 150:sc= 0.544 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= 0.223 X(o=0.22,f=-0.014) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.0646 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 LYS NZ :NH3+ -108:sc= 0.561 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= 0.451 X(o=0.45,f=0) USER MOD Single : A 21 LYS NZ :NH3+ -135:sc= 0.215 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.302 X(o=-0.3,f=-0.31) USER MOD Single : A 37 SER OG : rot 180:sc= -0.435 USER MOD Single : A 38 THR OG1 : rot 160:sc= -0.0368 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 MET CE :methyl -157:sc= -0.113 (180deg=-0.321) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 51 ASN : amide:sc= -2.11 K(o=-2.1,f=-5.6!) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.619 USER MOD Single : A 58 GLN : amide:sc= -0.497 X(o=-0.5,f=-0.25) USER MOD Single : A 60 MET CE :methyl 151:sc= 0 (180deg=-0.00357) USER MOD Single : A 80 MET CE :methyl -138:sc= -4.34 (180deg=-5.89!) USER MOD Single : A 81 MET CE :methyl 167:sc= -4.54! (180deg=-5.06!) USER MOD ----------------------------------------------------------------- ATOM 65 N TYR A 5 -6.073 8.692 0.595 1.00 0.00 N ATOM 66 CA TYR A 5 -5.556 7.927 -0.545 1.00 0.00 C ATOM 67 C TYR A 5 -6.678 7.672 -1.554 1.00 0.00 C ATOM 68 O TYR A 5 -6.472 7.761 -2.766 1.00 0.00 O ATOM 69 CB TYR A 5 -4.978 6.584 -0.083 1.00 0.00 C ATOM 70 CG TYR A 5 -3.655 6.809 0.619 1.00 0.00 C ATOM 71 CD1 TYR A 5 -3.629 7.146 1.979 1.00 0.00 C ATOM 72 CD2 TYR A 5 -2.455 6.680 -0.091 1.00 0.00 C ATOM 73 CE1 TYR A 5 -2.407 7.353 2.628 1.00 0.00 C ATOM 74 CE2 TYR A 5 -1.231 6.885 0.559 1.00 0.00 C ATOM 75 CZ TYR A 5 -1.207 7.221 1.918 1.00 0.00 C ATOM 76 OH TYR A 5 -0.001 7.421 2.559 1.00 0.00 O ATOM 0 HA TYR A 5 -4.763 8.510 -1.014 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -5.678 6.089 0.590 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -4.838 5.924 -0.939 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -4.554 7.246 2.527 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -2.473 6.422 -1.140 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -2.389 7.614 3.676 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -0.306 6.784 0.012 1.00 0.00 H new ATOM 0 HH TYR A 5 0.733 7.290 1.923 1.00 0.00 H new ATOM 86 N LYS A 6 -7.875 7.375 -1.031 1.00 0.00 N ATOM 87 CA LYS A 6 -9.041 7.129 -1.882 1.00 0.00 C ATOM 88 C LYS A 6 -9.543 8.443 -2.488 1.00 0.00 C ATOM 89 O LYS A 6 -10.018 8.472 -3.624 1.00 0.00 O ATOM 90 CB LYS A 6 -10.172 6.491 -1.070 1.00 0.00 C ATOM 91 CG LYS A 6 -10.944 5.506 -1.953 1.00 0.00 C ATOM 92 CD LYS A 6 -12.299 5.193 -1.311 1.00 0.00 C ATOM 93 CE LYS A 6 -12.090 4.338 -0.058 1.00 0.00 C ATOM 94 NZ LYS A 6 -13.228 4.544 0.885 1.00 0.00 N ATOM 0 H LYS A 6 -8.058 7.300 -0.030 1.00 0.00 H new ATOM 0 HA LYS A 6 -8.740 6.450 -2.680 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -9.763 5.974 -0.202 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -10.844 7.263 -0.694 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -11.090 5.930 -2.946 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -10.370 4.588 -2.080 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -12.811 6.119 -1.050 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -12.936 4.665 -2.021 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -12.018 3.285 -0.332 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -11.151 4.607 0.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -13.084 3.962 1.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -13.277 5.547 1.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -14.117 4.266 0.422 1.00 0.00 H new ATOM 108 N ALA A 7 -9.424 9.530 -1.715 1.00 0.00 N ATOM 109 CA ALA A 7 -9.860 10.851 -2.177 1.00 0.00 C ATOM 110 C ALA A 7 -8.988 11.343 -3.339 1.00 0.00 C ATOM 111 O ALA A 7 -9.444 12.121 -4.179 1.00 0.00 O ATOM 112 CB ALA A 7 -9.786 11.870 -1.035 1.00 0.00 C ATOM 0 H ALA A 7 -9.032 9.520 -0.773 1.00 0.00 H new ATOM 0 HA ALA A 7 -10.891 10.756 -2.518 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -10.113 12.845 -1.396 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -10.433 11.549 -0.219 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -8.759 11.941 -0.677 1.00 0.00 H new ATOM 118 N ALA A 8 -7.732 10.881 -3.378 1.00 0.00 N ATOM 119 CA ALA A 8 -6.806 11.282 -4.439 1.00 0.00 C ATOM 120 C ALA A 8 -7.035 10.459 -5.707 1.00 0.00 C ATOM 121 O ALA A 8 -7.064 11.002 -6.811 1.00 0.00 O ATOM 122 CB ALA A 8 -5.356 11.101 -3.983 1.00 0.00 C ATOM 0 H ALA A 8 -7.338 10.236 -2.693 1.00 0.00 H new ATOM 0 HA ALA A 8 -6.993 12.333 -4.657 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -4.682 11.404 -4.784 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -5.172 11.716 -3.102 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -5.180 10.054 -3.737 1.00 0.00 H new ATOM 128 N VAL A 9 -7.193 9.142 -5.541 1.00 0.00 N ATOM 129 CA VAL A 9 -7.417 8.258 -6.691 1.00 0.00 C ATOM 130 C VAL A 9 -8.781 8.528 -7.340 1.00 0.00 C ATOM 131 O VAL A 9 -8.947 8.343 -8.547 1.00 0.00 O ATOM 132 CB VAL A 9 -7.317 6.780 -6.270 1.00 0.00 C ATOM 133 CG1 VAL A 9 -8.522 6.387 -5.410 1.00 0.00 C ATOM 134 CG2 VAL A 9 -7.272 5.891 -7.517 1.00 0.00 C ATOM 0 H VAL A 9 -7.171 8.670 -4.637 1.00 0.00 H new ATOM 0 HA VAL A 9 -6.639 8.468 -7.425 1.00 0.00 H new ATOM 0 HB VAL A 9 -6.406 6.644 -5.687 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -8.436 5.340 -5.121 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -8.549 7.009 -4.516 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -9.439 6.532 -5.981 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -7.201 4.846 -7.216 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -8.179 6.039 -8.103 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -6.403 6.154 -8.121 1.00 0.00 H new ATOM 144 N GLU A 10 -9.752 8.976 -6.534 1.00 0.00 N ATOM 145 CA GLU A 10 -11.088 9.272 -7.057 1.00 0.00 C ATOM 146 C GLU A 10 -11.124 10.643 -7.749 1.00 0.00 C ATOM 147 O GLU A 10 -12.006 10.900 -8.571 1.00 0.00 O ATOM 148 CB GLU A 10 -12.133 9.235 -5.932 1.00 0.00 C ATOM 149 CG GLU A 10 -11.966 10.448 -5.009 1.00 0.00 C ATOM 150 CD GLU A 10 -12.988 10.378 -3.877 1.00 0.00 C ATOM 151 OE1 GLU A 10 -12.836 9.525 -3.017 1.00 0.00 O ATOM 152 OE2 GLU A 10 -13.906 11.181 -3.884 1.00 0.00 O ATOM 0 H GLU A 10 -9.639 9.139 -5.533 1.00 0.00 H new ATOM 0 HA GLU A 10 -11.328 8.505 -7.793 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -13.136 9.230 -6.358 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -12.026 8.315 -5.357 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -10.956 10.469 -4.599 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -12.099 11.369 -5.576 1.00 0.00 H new ATOM 159 N GLN A 11 -10.161 11.519 -7.420 1.00 0.00 N ATOM 160 CA GLN A 11 -10.116 12.851 -8.034 1.00 0.00 C ATOM 161 C GLN A 11 -9.163 12.888 -9.241 1.00 0.00 C ATOM 162 O GLN A 11 -8.935 13.953 -9.822 1.00 0.00 O ATOM 163 CB GLN A 11 -9.684 13.911 -7.008 1.00 0.00 C ATOM 164 CG GLN A 11 -8.224 13.691 -6.598 1.00 0.00 C ATOM 165 CD GLN A 11 -7.762 14.846 -5.717 1.00 0.00 C ATOM 166 OE1 GLN A 11 -7.178 15.813 -6.207 1.00 0.00 O ATOM 167 NE2 GLN A 11 -7.989 14.804 -4.431 1.00 0.00 N ATOM 0 H GLN A 11 -9.418 11.333 -6.746 1.00 0.00 H new ATOM 0 HA GLN A 11 -11.124 13.076 -8.383 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -9.803 14.908 -7.433 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -10.327 13.860 -6.129 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -8.125 12.748 -6.061 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -7.593 13.621 -7.484 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -8.473 14.003 -4.024 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -7.683 15.572 -3.834 1.00 0.00 H new ATOM 176 N LEU A 12 -8.610 11.724 -9.619 1.00 0.00 N ATOM 177 CA LEU A 12 -7.693 11.659 -10.761 1.00 0.00 C ATOM 178 C LEU A 12 -8.444 11.852 -12.079 1.00 0.00 C ATOM 179 O LEU A 12 -9.676 11.884 -12.118 1.00 0.00 O ATOM 180 CB LEU A 12 -6.988 10.301 -10.815 1.00 0.00 C ATOM 181 CG LEU A 12 -6.253 9.884 -9.542 1.00 0.00 C ATOM 182 CD1 LEU A 12 -5.562 8.538 -9.776 1.00 0.00 C ATOM 183 CD2 LEU A 12 -5.209 10.945 -9.181 1.00 0.00 C ATOM 0 H LEU A 12 -8.780 10.831 -9.157 1.00 0.00 H new ATOM 0 HA LEU A 12 -6.962 12.457 -10.629 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -7.729 9.537 -11.051 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -6.272 10.316 -11.637 1.00 0.00 H new ATOM 0 HG LEU A 12 -6.965 9.790 -8.722 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -5.036 8.237 -8.870 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -6.308 7.785 -10.030 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -4.849 8.633 -10.595 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -4.686 10.646 -8.273 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -4.493 11.043 -9.997 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -5.705 11.902 -9.016 1.00 0.00 H new ATOM 195 N THR A 13 -7.673 11.955 -13.162 1.00 0.00 N ATOM 196 CA THR A 13 -8.248 12.119 -14.498 1.00 0.00 C ATOM 197 C THR A 13 -8.443 10.755 -15.156 1.00 0.00 C ATOM 198 O THR A 13 -8.020 9.726 -14.623 1.00 0.00 O ATOM 199 CB THR A 13 -7.333 12.971 -15.395 1.00 0.00 C ATOM 200 OG1 THR A 13 -6.014 13.006 -14.859 1.00 0.00 O ATOM 201 CG2 THR A 13 -7.886 14.391 -15.497 1.00 0.00 C ATOM 0 H THR A 13 -6.654 11.928 -13.141 1.00 0.00 H new ATOM 0 HA THR A 13 -9.208 12.623 -14.385 1.00 0.00 H new ATOM 0 HB THR A 13 -7.299 12.525 -16.389 1.00 0.00 H new ATOM 0 HG1 THR A 13 -5.440 13.549 -15.438 1.00 0.00 H new ATOM 0 HG21 THR A 13 -7.235 14.990 -16.133 1.00 0.00 H new ATOM 0 HG22 THR A 13 -8.887 14.362 -15.928 1.00 0.00 H new ATOM 0 HG23 THR A 13 -7.932 14.836 -14.503 1.00 0.00 H new ATOM 209 N ASP A 14 -9.069 10.763 -16.333 1.00 0.00 N ATOM 210 CA ASP A 14 -9.291 9.523 -17.073 1.00 0.00 C ATOM 211 C ASP A 14 -7.955 8.996 -17.592 1.00 0.00 C ATOM 212 O ASP A 14 -7.755 7.788 -17.717 1.00 0.00 O ATOM 213 CB ASP A 14 -10.234 9.757 -18.259 1.00 0.00 C ATOM 214 CG ASP A 14 -11.650 10.016 -17.748 1.00 0.00 C ATOM 215 OD1 ASP A 14 -11.947 11.158 -17.435 1.00 0.00 O ATOM 216 OD2 ASP A 14 -12.416 9.070 -17.678 1.00 0.00 O ATOM 0 H ASP A 14 -9.427 11.603 -16.789 1.00 0.00 H new ATOM 0 HA ASP A 14 -9.747 8.796 -16.401 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -9.889 10.606 -18.848 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -10.228 8.889 -18.918 1.00 0.00 H new ATOM 221 N GLU A 15 -7.038 9.928 -17.876 1.00 0.00 N ATOM 222 CA GLU A 15 -5.707 9.570 -18.364 1.00 0.00 C ATOM 223 C GLU A 15 -4.875 8.922 -17.248 1.00 0.00 C ATOM 224 O GLU A 15 -4.044 8.051 -17.509 1.00 0.00 O ATOM 225 CB GLU A 15 -4.986 10.816 -18.895 1.00 0.00 C ATOM 226 CG GLU A 15 -4.550 11.719 -17.733 1.00 0.00 C ATOM 227 CD GLU A 15 -4.561 13.176 -18.184 1.00 0.00 C ATOM 228 OE1 GLU A 15 -5.607 13.797 -18.091 1.00 0.00 O ATOM 229 OE2 GLU A 15 -3.521 13.651 -18.613 1.00 0.00 O ATOM 0 H GLU A 15 -7.195 10.931 -17.776 1.00 0.00 H new ATOM 0 HA GLU A 15 -5.822 8.850 -19.174 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -4.115 10.519 -19.479 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -5.646 11.368 -19.565 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -5.221 11.586 -16.884 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.551 11.439 -17.397 1.00 0.00 H new ATOM 236 N GLN A 16 -5.116 9.356 -16.004 1.00 0.00 N ATOM 237 CA GLN A 16 -4.394 8.813 -14.849 1.00 0.00 C ATOM 238 C GLN A 16 -4.824 7.371 -14.584 1.00 0.00 C ATOM 239 O GLN A 16 -3.987 6.474 -14.472 1.00 0.00 O ATOM 240 CB GLN A 16 -4.664 9.654 -13.597 1.00 0.00 C ATOM 241 CG GLN A 16 -3.426 9.648 -12.696 1.00 0.00 C ATOM 242 CD GLN A 16 -2.500 10.792 -13.093 1.00 0.00 C ATOM 243 OE1 GLN A 16 -1.538 10.592 -13.835 1.00 0.00 O ATOM 244 NE2 GLN A 16 -2.735 11.995 -12.641 1.00 0.00 N ATOM 0 H GLN A 16 -5.800 10.076 -15.774 1.00 0.00 H new ATOM 0 HA GLN A 16 -3.328 8.841 -15.077 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -4.915 10.676 -13.881 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -5.522 9.254 -13.056 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -3.723 9.752 -11.652 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -2.903 8.696 -12.785 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -3.532 12.162 -12.026 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -2.122 12.767 -12.903 1.00 0.00 H new ATOM 253 N LYS A 17 -6.141 7.158 -14.497 1.00 0.00 N ATOM 254 CA LYS A 17 -6.680 5.816 -14.258 1.00 0.00 C ATOM 255 C LYS A 17 -6.267 4.873 -15.392 1.00 0.00 C ATOM 256 O LYS A 17 -5.867 3.733 -15.150 1.00 0.00 O ATOM 257 CB LYS A 17 -8.209 5.855 -14.169 1.00 0.00 C ATOM 258 CG LYS A 17 -8.630 6.436 -12.815 1.00 0.00 C ATOM 259 CD LYS A 17 -9.961 7.178 -12.968 1.00 0.00 C ATOM 260 CE LYS A 17 -10.124 8.181 -11.822 1.00 0.00 C ATOM 261 NZ LYS A 17 -10.857 7.537 -10.694 1.00 0.00 N ATOM 0 H LYS A 17 -6.847 7.889 -14.587 1.00 0.00 H new ATOM 0 HA LYS A 17 -6.277 5.452 -13.313 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -8.615 6.461 -14.979 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.616 4.851 -14.288 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -8.729 5.637 -12.080 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -7.863 7.116 -12.445 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -9.992 7.697 -13.926 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -10.788 6.468 -12.964 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -9.146 8.525 -11.484 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -10.669 9.059 -12.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -11.819 7.928 -10.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -10.910 6.511 -10.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -10.354 7.722 -9.803 1.00 0.00 H new ATOM 275 N ASN A 18 -6.361 5.371 -16.631 1.00 0.00 N ATOM 276 CA ASN A 18 -5.988 4.575 -17.804 1.00 0.00 C ATOM 277 C ASN A 18 -4.471 4.368 -17.876 1.00 0.00 C ATOM 278 O ASN A 18 -4.003 3.418 -18.502 1.00 0.00 O ATOM 279 CB ASN A 18 -6.458 5.257 -19.093 1.00 0.00 C ATOM 280 CG ASN A 18 -7.849 4.748 -19.458 1.00 0.00 C ATOM 281 OD1 ASN A 18 -7.985 3.776 -20.200 1.00 0.00 O ATOM 282 ND2 ASN A 18 -8.902 5.350 -18.972 1.00 0.00 N ATOM 0 H ASN A 18 -6.689 6.313 -16.845 1.00 0.00 H new ATOM 0 HA ASN A 18 -6.475 3.605 -17.704 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -6.478 6.338 -18.959 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -5.759 5.049 -19.903 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -9.836 5.014 -19.208 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -8.790 6.156 -18.357 1.00 0.00 H new ATOM 289 N GLU A 19 -3.708 5.263 -17.230 1.00 0.00 N ATOM 290 CA GLU A 19 -2.245 5.154 -17.228 1.00 0.00 C ATOM 291 C GLU A 19 -1.820 3.785 -16.695 1.00 0.00 C ATOM 292 O GLU A 19 -1.022 3.083 -17.318 1.00 0.00 O ATOM 293 CB GLU A 19 -1.621 6.249 -16.352 1.00 0.00 C ATOM 294 CG GLU A 19 -0.096 6.222 -16.497 1.00 0.00 C ATOM 295 CD GLU A 19 0.539 7.070 -15.399 1.00 0.00 C ATOM 296 OE1 GLU A 19 0.743 6.548 -14.315 1.00 0.00 O ATOM 297 OE2 GLU A 19 0.814 8.231 -15.658 1.00 0.00 O ATOM 0 H GLU A 19 -4.075 6.059 -16.709 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.896 5.274 -18.253 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -2.006 7.226 -16.645 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -1.899 6.096 -15.309 1.00 0.00 H new ATOM 0 HG2 GLU A 19 0.267 5.196 -16.434 1.00 0.00 H new ATOM 0 HG3 GLU A 19 0.193 6.602 -17.477 1.00 0.00 H new ATOM 304 N PHE A 20 -2.375 3.412 -15.537 1.00 0.00 N ATOM 305 CA PHE A 20 -2.063 2.121 -14.927 1.00 0.00 C ATOM 306 C PHE A 20 -2.826 1.001 -15.632 1.00 0.00 C ATOM 307 O PHE A 20 -2.264 -0.050 -15.931 1.00 0.00 O ATOM 308 CB PHE A 20 -2.450 2.117 -13.448 1.00 0.00 C ATOM 309 CG PHE A 20 -1.350 2.746 -12.627 1.00 0.00 C ATOM 310 CD1 PHE A 20 -1.301 4.136 -12.474 1.00 0.00 C ATOM 311 CD2 PHE A 20 -0.390 1.939 -12.008 1.00 0.00 C ATOM 312 CE1 PHE A 20 -0.291 4.718 -11.699 1.00 0.00 C ATOM 313 CE2 PHE A 20 0.619 2.519 -11.236 1.00 0.00 C ATOM 314 CZ PHE A 20 0.668 3.909 -11.078 1.00 0.00 C ATOM 0 H PHE A 20 -3.036 3.982 -15.009 1.00 0.00 H new ATOM 0 HA PHE A 20 -0.990 1.957 -15.025 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -3.381 2.665 -13.305 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -2.627 1.095 -13.112 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -2.042 4.759 -12.953 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -0.429 0.866 -12.127 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -0.252 5.791 -11.580 1.00 0.00 H new ATOM 0 HE2 PHE A 20 1.362 1.895 -10.761 1.00 0.00 H new ATOM 0 HZ PHE A 20 1.445 4.357 -10.477 1.00 0.00 H new ATOM 324 N LYS A 21 -4.117 1.245 -15.889 1.00 0.00 N ATOM 325 CA LYS A 21 -4.969 0.255 -16.557 1.00 0.00 C ATOM 326 C LYS A 21 -4.343 -0.212 -17.874 1.00 0.00 C ATOM 327 O LYS A 21 -4.421 -1.392 -18.215 1.00 0.00 O ATOM 328 CB LYS A 21 -6.357 0.842 -16.826 1.00 0.00 C ATOM 329 CG LYS A 21 -7.344 -0.287 -17.134 1.00 0.00 C ATOM 330 CD LYS A 21 -8.031 -0.017 -18.475 1.00 0.00 C ATOM 331 CE LYS A 21 -9.423 -0.655 -18.478 1.00 0.00 C ATOM 332 NZ LYS A 21 -9.300 -2.137 -18.618 1.00 0.00 N ATOM 0 H LYS A 21 -4.592 2.114 -15.646 1.00 0.00 H new ATOM 0 HA LYS A 21 -5.064 -0.605 -15.894 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -6.697 1.409 -15.959 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -6.312 1.538 -17.664 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -6.820 -1.242 -17.168 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -8.088 -0.360 -16.341 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -8.112 1.057 -18.644 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -7.432 -0.423 -19.290 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -9.947 -0.410 -17.554 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -10.016 -0.251 -19.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -9.989 -2.478 -19.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -8.338 -2.377 -18.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -9.487 -2.589 -17.700 1.00 0.00 H new ATOM 346 N ALA A 22 -3.709 0.717 -18.599 1.00 0.00 N ATOM 347 CA ALA A 22 -3.054 0.378 -19.868 1.00 0.00 C ATOM 348 C ALA A 22 -2.017 -0.722 -19.637 1.00 0.00 C ATOM 349 O ALA A 22 -2.035 -1.759 -20.303 1.00 0.00 O ATOM 350 CB ALA A 22 -2.358 1.605 -20.459 1.00 0.00 C ATOM 0 H ALA A 22 -3.636 1.699 -18.333 1.00 0.00 H new ATOM 0 HA ALA A 22 -3.816 0.030 -20.566 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -1.878 1.333 -21.399 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -3.094 2.389 -20.640 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -1.605 1.968 -19.759 1.00 0.00 H new ATOM 356 N ALA A 23 -1.133 -0.486 -18.659 1.00 0.00 N ATOM 357 CA ALA A 23 -0.103 -1.465 -18.306 1.00 0.00 C ATOM 358 C ALA A 23 -0.761 -2.733 -17.755 1.00 0.00 C ATOM 359 O ALA A 23 -0.274 -3.844 -17.958 1.00 0.00 O ATOM 360 CB ALA A 23 0.841 -0.894 -17.241 1.00 0.00 C ATOM 0 H ALA A 23 -1.112 0.369 -18.103 1.00 0.00 H new ATOM 0 HA ALA A 23 0.468 -1.700 -19.204 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.600 -1.636 -16.992 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.324 0.004 -17.627 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.271 -0.643 -16.346 1.00 0.00 H new ATOM 366 N PHE A 24 -1.886 -2.547 -17.063 1.00 0.00 N ATOM 367 CA PHE A 24 -2.628 -3.668 -16.490 1.00 0.00 C ATOM 368 C PHE A 24 -3.140 -4.597 -17.594 1.00 0.00 C ATOM 369 O PHE A 24 -3.095 -5.815 -17.460 1.00 0.00 O ATOM 370 CB PHE A 24 -3.825 -3.150 -15.685 1.00 0.00 C ATOM 371 CG PHE A 24 -4.158 -4.109 -14.567 1.00 0.00 C ATOM 372 CD1 PHE A 24 -4.713 -5.362 -14.855 1.00 0.00 C ATOM 373 CD2 PHE A 24 -3.917 -3.741 -13.241 1.00 0.00 C ATOM 374 CE1 PHE A 24 -5.029 -6.242 -13.814 1.00 0.00 C ATOM 375 CE2 PHE A 24 -4.228 -4.620 -12.202 1.00 0.00 C ATOM 376 CZ PHE A 24 -4.785 -5.869 -12.488 1.00 0.00 C ATOM 0 H PHE A 24 -2.302 -1.632 -16.887 1.00 0.00 H new ATOM 0 HA PHE A 24 -1.953 -4.221 -15.837 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -3.598 -2.166 -15.274 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -4.688 -3.030 -16.340 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -4.897 -5.649 -15.880 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -3.489 -2.774 -13.019 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -5.460 -7.207 -14.034 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -4.038 -4.335 -11.178 1.00 0.00 H new ATOM 0 HZ PHE A 24 -5.028 -6.548 -11.684 1.00 0.00 H new ATOM 386 N ASP A 25 -3.641 -4.000 -18.680 1.00 0.00 N ATOM 387 CA ASP A 25 -4.179 -4.778 -19.801 1.00 0.00 C ATOM 388 C ASP A 25 -3.087 -5.578 -20.518 1.00 0.00 C ATOM 389 O ASP A 25 -3.314 -6.721 -20.915 1.00 0.00 O ATOM 390 CB ASP A 25 -4.857 -3.855 -20.823 1.00 0.00 C ATOM 391 CG ASP A 25 -6.043 -3.132 -20.184 1.00 0.00 C ATOM 392 OD1 ASP A 25 -6.825 -3.784 -19.507 1.00 0.00 O ATOM 393 OD2 ASP A 25 -6.155 -1.937 -20.388 1.00 0.00 O ATOM 0 H ASP A 25 -3.685 -2.989 -18.807 1.00 0.00 H new ATOM 0 HA ASP A 25 -4.906 -5.472 -19.380 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -4.138 -3.127 -21.198 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -5.197 -4.437 -21.679 1.00 0.00 H new ATOM 398 N ILE A 26 -1.909 -4.969 -20.698 1.00 0.00 N ATOM 399 CA ILE A 26 -0.806 -5.652 -21.392 1.00 0.00 C ATOM 400 C ILE A 26 -0.238 -6.799 -20.547 1.00 0.00 C ATOM 401 O ILE A 26 0.065 -7.871 -21.076 1.00 0.00 O ATOM 402 CB ILE A 26 0.321 -4.671 -21.766 1.00 0.00 C ATOM 403 CG1 ILE A 26 0.818 -3.925 -20.519 1.00 0.00 C ATOM 404 CG2 ILE A 26 -0.208 -3.658 -22.787 1.00 0.00 C ATOM 405 CD1 ILE A 26 2.013 -3.039 -20.877 1.00 0.00 C ATOM 0 H ILE A 26 -1.695 -4.024 -20.381 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.221 -6.068 -22.310 1.00 0.00 H new ATOM 0 HB ILE A 26 1.151 -5.233 -22.194 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.014 -3.315 -20.106 1.00 0.00 H new ATOM 0 HG13 ILE A 26 1.104 -4.640 -19.748 1.00 0.00 H new ATOM 0 HG21 ILE A 26 0.587 -2.962 -23.054 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.545 -4.184 -23.680 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.043 -3.107 -22.354 1.00 0.00 H new ATOM 0 HD11 ILE A 26 2.357 -2.515 -19.986 1.00 0.00 H new ATOM 0 HD12 ILE A 26 2.820 -3.658 -21.269 1.00 0.00 H new ATOM 0 HD13 ILE A 26 1.714 -2.312 -21.632 1.00 0.00 H new ATOM 417 N PHE A 27 -0.105 -6.577 -19.235 1.00 0.00 N ATOM 418 CA PHE A 27 0.420 -7.620 -18.343 1.00 0.00 C ATOM 419 C PHE A 27 -0.675 -8.641 -18.026 1.00 0.00 C ATOM 420 O PHE A 27 -0.430 -9.848 -18.020 1.00 0.00 O ATOM 421 CB PHE A 27 0.956 -7.015 -17.036 1.00 0.00 C ATOM 422 CG PHE A 27 2.050 -6.013 -17.347 1.00 0.00 C ATOM 423 CD1 PHE A 27 3.059 -6.331 -18.269 1.00 0.00 C ATOM 424 CD2 PHE A 27 2.048 -4.760 -16.723 1.00 0.00 C ATOM 425 CE1 PHE A 27 4.060 -5.399 -18.563 1.00 0.00 C ATOM 426 CE2 PHE A 27 3.052 -3.829 -17.018 1.00 0.00 C ATOM 427 CZ PHE A 27 4.056 -4.147 -17.939 1.00 0.00 C ATOM 0 H PHE A 27 -0.348 -5.701 -18.772 1.00 0.00 H new ATOM 0 HA PHE A 27 1.244 -8.116 -18.856 1.00 0.00 H new ATOM 0 HB2 PHE A 27 0.147 -6.528 -16.491 1.00 0.00 H new ATOM 0 HB3 PHE A 27 1.344 -7.804 -16.392 1.00 0.00 H new ATOM 0 HD1 PHE A 27 3.063 -7.297 -18.752 1.00 0.00 H new ATOM 0 HD2 PHE A 27 1.272 -4.511 -16.014 1.00 0.00 H new ATOM 0 HE1 PHE A 27 4.836 -5.646 -19.272 1.00 0.00 H new ATOM 0 HE2 PHE A 27 3.051 -2.864 -16.534 1.00 0.00 H new ATOM 0 HZ PHE A 27 4.827 -3.427 -18.168 1.00 0.00 H new ATOM 437 N ILE A 28 -1.890 -8.139 -17.786 1.00 0.00 N ATOM 438 CA ILE A 28 -3.033 -9.002 -17.495 1.00 0.00 C ATOM 439 C ILE A 28 -3.998 -8.968 -18.684 1.00 0.00 C ATOM 440 O ILE A 28 -5.125 -8.476 -18.598 1.00 0.00 O ATOM 441 CB ILE A 28 -3.736 -8.544 -16.203 1.00 0.00 C ATOM 442 CG1 ILE A 28 -2.848 -8.889 -15.003 1.00 0.00 C ATOM 443 CG2 ILE A 28 -5.095 -9.238 -16.047 1.00 0.00 C ATOM 444 CD1 ILE A 28 -2.664 -10.410 -14.906 1.00 0.00 C ATOM 0 H ILE A 28 -2.105 -7.142 -17.788 1.00 0.00 H new ATOM 0 HA ILE A 28 -2.691 -10.025 -17.341 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.901 -7.468 -16.254 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -1.878 -8.403 -15.106 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -3.298 -8.510 -14.086 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -5.573 -8.899 -15.128 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -5.729 -8.991 -16.898 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -4.950 -10.317 -16.004 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -2.031 -10.646 -14.050 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -3.636 -10.887 -14.781 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -2.193 -10.778 -15.818 1.00 0.00 H new ATOM 456 N GLN A 29 -3.513 -9.487 -19.807 1.00 0.00 N ATOM 457 CA GLN A 29 -4.301 -9.519 -21.034 1.00 0.00 C ATOM 458 C GLN A 29 -5.255 -10.713 -21.042 1.00 0.00 C ATOM 459 O GLN A 29 -6.455 -10.561 -21.275 1.00 0.00 O ATOM 460 CB GLN A 29 -3.377 -9.593 -22.254 1.00 0.00 C ATOM 461 CG GLN A 29 -4.193 -9.428 -23.538 1.00 0.00 C ATOM 462 CD GLN A 29 -4.840 -8.045 -23.569 1.00 0.00 C ATOM 463 OE1 GLN A 29 -6.049 -7.916 -23.374 1.00 0.00 O ATOM 464 NE2 GLN A 29 -4.103 -6.993 -23.805 1.00 0.00 N ATOM 0 H GLN A 29 -2.580 -9.890 -19.893 1.00 0.00 H new ATOM 0 HA GLN A 29 -4.890 -8.603 -21.079 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -2.617 -8.814 -22.193 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -2.853 -10.549 -22.266 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -3.549 -9.557 -24.408 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -4.961 -10.200 -23.593 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -3.101 -7.098 -23.967 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -4.529 -6.066 -23.828 1.00 0.00 H new ATOM 473 N ASP A 30 -4.700 -11.900 -20.798 1.00 0.00 N ATOM 474 CA ASP A 30 -5.500 -13.127 -20.789 1.00 0.00 C ATOM 475 C ASP A 30 -5.492 -13.780 -19.401 1.00 0.00 C ATOM 476 O ASP A 30 -5.483 -15.007 -19.278 1.00 0.00 O ATOM 477 CB ASP A 30 -4.964 -14.125 -21.833 1.00 0.00 C ATOM 478 CG ASP A 30 -3.447 -14.269 -21.699 1.00 0.00 C ATOM 479 OD1 ASP A 30 -2.740 -13.509 -22.341 1.00 0.00 O ATOM 480 OD2 ASP A 30 -3.016 -15.139 -20.959 1.00 0.00 O ATOM 0 H ASP A 30 -3.708 -12.039 -20.605 1.00 0.00 H new ATOM 0 HA ASP A 30 -6.526 -12.858 -21.041 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -5.442 -15.095 -21.697 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -5.217 -13.783 -22.837 1.00 0.00 H new ATOM 485 N ALA A 31 -5.508 -12.945 -18.356 1.00 0.00 N ATOM 486 CA ALA A 31 -5.513 -13.457 -16.985 1.00 0.00 C ATOM 487 C ALA A 31 -6.935 -13.790 -16.543 1.00 0.00 C ATOM 488 O ALA A 31 -7.908 -13.218 -17.041 1.00 0.00 O ATOM 489 CB ALA A 31 -4.921 -12.433 -16.016 1.00 0.00 C ATOM 0 H ALA A 31 -5.518 -11.928 -18.432 1.00 0.00 H new ATOM 0 HA ALA A 31 -4.903 -14.360 -16.970 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.936 -12.838 -15.004 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.893 -12.213 -16.303 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -5.511 -11.517 -16.049 1.00 0.00 H new ATOM 495 N GLU A 32 -7.038 -14.719 -15.596 1.00 0.00 N ATOM 496 CA GLU A 32 -8.342 -15.132 -15.073 1.00 0.00 C ATOM 497 C GLU A 32 -8.436 -14.816 -13.577 1.00 0.00 C ATOM 498 O GLU A 32 -8.932 -15.620 -12.784 1.00 0.00 O ATOM 499 CB GLU A 32 -8.559 -16.635 -15.295 1.00 0.00 C ATOM 500 CG GLU A 32 -8.595 -16.937 -16.798 1.00 0.00 C ATOM 501 CD GLU A 32 -9.972 -16.598 -17.361 1.00 0.00 C ATOM 502 OE1 GLU A 32 -10.184 -15.445 -17.701 1.00 0.00 O ATOM 503 OE2 GLU A 32 -10.795 -17.495 -17.446 1.00 0.00 O ATOM 0 H GLU A 32 -6.242 -15.198 -15.176 1.00 0.00 H new ATOM 0 HA GLU A 32 -9.115 -14.580 -15.607 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -7.758 -17.202 -14.820 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -9.493 -16.950 -14.829 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -7.829 -16.358 -17.313 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -8.370 -17.989 -16.972 1.00 0.00 H new ATOM 510 N ASP A 33 -7.949 -13.627 -13.201 1.00 0.00 N ATOM 511 CA ASP A 33 -7.979 -13.204 -11.800 1.00 0.00 C ATOM 512 C ASP A 33 -8.205 -11.694 -11.686 1.00 0.00 C ATOM 513 O ASP A 33 -9.062 -11.243 -10.924 1.00 0.00 O ATOM 514 CB ASP A 33 -6.663 -13.569 -11.103 1.00 0.00 C ATOM 515 CG ASP A 33 -6.935 -13.899 -9.639 1.00 0.00 C ATOM 516 OD1 ASP A 33 -6.952 -12.980 -8.836 1.00 0.00 O ATOM 517 OD2 ASP A 33 -7.125 -15.067 -9.341 1.00 0.00 O ATOM 0 H ASP A 33 -7.534 -12.949 -13.841 1.00 0.00 H new ATOM 0 HA ASP A 33 -8.806 -13.723 -11.316 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -6.201 -14.423 -11.599 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -5.959 -12.740 -11.175 1.00 0.00 H new ATOM 522 N GLY A 34 -7.425 -10.920 -12.448 1.00 0.00 N ATOM 523 CA GLY A 34 -7.544 -9.462 -12.425 1.00 0.00 C ATOM 524 C GLY A 34 -6.478 -8.842 -11.522 1.00 0.00 C ATOM 525 O GLY A 34 -6.764 -7.939 -10.733 1.00 0.00 O ATOM 0 H GLY A 34 -6.711 -11.277 -13.083 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -7.443 -9.069 -13.437 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -8.535 -9.180 -12.071 1.00 0.00 H new ATOM 529 N CYS A 35 -5.245 -9.340 -11.650 1.00 0.00 N ATOM 530 CA CYS A 35 -4.127 -8.839 -10.849 1.00 0.00 C ATOM 531 C CYS A 35 -2.806 -9.110 -11.562 1.00 0.00 C ATOM 532 O CYS A 35 -2.565 -10.217 -12.046 1.00 0.00 O ATOM 533 CB CYS A 35 -4.101 -9.506 -9.470 1.00 0.00 C ATOM 534 SG CYS A 35 -4.293 -11.299 -9.644 1.00 0.00 S ATOM 0 H CYS A 35 -4.997 -10.087 -12.299 1.00 0.00 H new ATOM 0 HA CYS A 35 -4.261 -7.765 -10.720 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -3.162 -9.280 -8.965 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -4.901 -9.105 -8.848 1.00 0.00 H new ATOM 0 HG CYS A 35 -5.473 -11.651 -9.228 1.00 0.00 H new ATOM 540 N ILE A 36 -1.950 -8.087 -11.620 1.00 0.00 N ATOM 541 CA ILE A 36 -0.651 -8.234 -12.286 1.00 0.00 C ATOM 542 C ILE A 36 0.335 -8.956 -11.366 1.00 0.00 C ATOM 543 O ILE A 36 0.009 -9.291 -10.227 1.00 0.00 O ATOM 544 CB ILE A 36 -0.066 -6.866 -12.692 1.00 0.00 C ATOM 545 CG1 ILE A 36 0.379 -6.090 -11.444 1.00 0.00 C ATOM 546 CG2 ILE A 36 -1.114 -6.047 -13.455 1.00 0.00 C ATOM 547 CD1 ILE A 36 1.907 -6.113 -11.346 1.00 0.00 C ATOM 0 H ILE A 36 -2.126 -7.164 -11.223 1.00 0.00 H new ATOM 0 HA ILE A 36 -0.809 -8.822 -13.190 1.00 0.00 H new ATOM 0 HB ILE A 36 0.796 -7.036 -13.337 1.00 0.00 H new ATOM 0 HG12 ILE A 36 0.023 -5.061 -11.496 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -0.060 -6.534 -10.551 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -0.689 -5.084 -13.736 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -1.414 -6.587 -14.353 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -1.985 -5.888 -12.819 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.223 -5.562 -10.460 1.00 0.00 H new ATOM 0 HD12 ILE A 36 2.251 -7.145 -11.274 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.336 -5.649 -12.234 1.00 0.00 H new ATOM 559 N SER A 37 1.542 -9.200 -11.875 1.00 0.00 N ATOM 560 CA SER A 37 2.562 -9.892 -11.092 1.00 0.00 C ATOM 561 C SER A 37 3.433 -8.894 -10.328 1.00 0.00 C ATOM 562 O SER A 37 4.191 -8.128 -10.926 1.00 0.00 O ATOM 563 CB SER A 37 3.450 -10.742 -12.007 1.00 0.00 C ATOM 564 OG SER A 37 3.743 -11.974 -11.362 1.00 0.00 O ATOM 0 H SER A 37 1.834 -8.932 -12.815 1.00 0.00 H new ATOM 0 HA SER A 37 2.053 -10.538 -10.376 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.945 -10.926 -12.955 1.00 0.00 H new ATOM 0 HB3 SER A 37 4.373 -10.209 -12.235 1.00 0.00 H new ATOM 0 HG SER A 37 4.310 -12.522 -11.945 1.00 0.00 H new ATOM 570 N THR A 38 3.317 -8.920 -8.992 1.00 0.00 N ATOM 571 CA THR A 38 4.107 -8.024 -8.133 1.00 0.00 C ATOM 572 C THR A 38 5.597 -8.192 -8.425 1.00 0.00 C ATOM 573 O THR A 38 6.344 -7.216 -8.483 1.00 0.00 O ATOM 574 CB THR A 38 3.862 -8.323 -6.647 1.00 0.00 C ATOM 575 OG1 THR A 38 4.163 -9.686 -6.376 1.00 0.00 O ATOM 576 CG2 THR A 38 2.401 -8.041 -6.299 1.00 0.00 C ATOM 0 H THR A 38 2.690 -9.545 -8.486 1.00 0.00 H new ATOM 0 HA THR A 38 3.795 -7.002 -8.349 1.00 0.00 H new ATOM 0 HB THR A 38 4.506 -7.685 -6.042 1.00 0.00 H new ATOM 0 HG1 THR A 38 4.320 -9.802 -5.416 1.00 0.00 H new ATOM 0 HG21 THR A 38 2.231 -8.254 -5.244 1.00 0.00 H new ATOM 0 HG22 THR A 38 2.175 -6.994 -6.499 1.00 0.00 H new ATOM 0 HG23 THR A 38 1.754 -8.674 -6.906 1.00 0.00 H new ATOM 584 N LYS A 39 6.017 -9.445 -8.628 1.00 0.00 N ATOM 585 CA LYS A 39 7.420 -9.737 -8.944 1.00 0.00 C ATOM 586 C LYS A 39 7.830 -9.027 -10.242 1.00 0.00 C ATOM 587 O LYS A 39 8.991 -8.649 -10.416 1.00 0.00 O ATOM 588 CB LYS A 39 7.647 -11.249 -9.100 1.00 0.00 C ATOM 589 CG LYS A 39 6.687 -11.823 -10.151 1.00 0.00 C ATOM 590 CD LYS A 39 6.195 -13.204 -9.705 1.00 0.00 C ATOM 591 CE LYS A 39 5.079 -13.048 -8.666 1.00 0.00 C ATOM 592 NZ LYS A 39 4.790 -14.371 -8.042 1.00 0.00 N ATOM 0 H LYS A 39 5.413 -10.266 -8.580 1.00 0.00 H new ATOM 0 HA LYS A 39 8.031 -9.373 -8.118 1.00 0.00 H new ATOM 0 HB2 LYS A 39 8.678 -11.441 -9.396 1.00 0.00 H new ATOM 0 HB3 LYS A 39 7.492 -11.748 -8.144 1.00 0.00 H new ATOM 0 HG2 LYS A 39 5.839 -11.152 -10.288 1.00 0.00 H new ATOM 0 HG3 LYS A 39 7.191 -11.900 -11.114 1.00 0.00 H new ATOM 0 HD2 LYS A 39 5.828 -13.764 -10.565 1.00 0.00 H new ATOM 0 HD3 LYS A 39 7.021 -13.775 -9.282 1.00 0.00 H new ATOM 0 HE2 LYS A 39 5.378 -12.331 -7.901 1.00 0.00 H new ATOM 0 HE3 LYS A 39 4.180 -12.653 -9.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 4.033 -14.264 -7.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 4.488 -15.043 -8.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 5.648 -14.730 -7.577 1.00 0.00 H new ATOM 606 N GLU A 40 6.853 -8.841 -11.141 1.00 0.00 N ATOM 607 CA GLU A 40 7.096 -8.163 -12.414 1.00 0.00 C ATOM 608 C GLU A 40 6.601 -6.707 -12.362 1.00 0.00 C ATOM 609 O GLU A 40 6.333 -6.097 -13.400 1.00 0.00 O ATOM 610 CB GLU A 40 6.374 -8.893 -13.552 1.00 0.00 C ATOM 611 CG GLU A 40 6.995 -10.279 -13.755 1.00 0.00 C ATOM 612 CD GLU A 40 6.592 -10.823 -15.123 1.00 0.00 C ATOM 613 OE1 GLU A 40 7.194 -10.413 -16.103 1.00 0.00 O ATOM 614 OE2 GLU A 40 5.688 -11.641 -15.171 1.00 0.00 O ATOM 0 H GLU A 40 5.891 -9.151 -11.007 1.00 0.00 H new ATOM 0 HA GLU A 40 8.171 -8.170 -12.595 1.00 0.00 H new ATOM 0 HB2 GLU A 40 5.314 -8.990 -13.319 1.00 0.00 H new ATOM 0 HB3 GLU A 40 6.447 -8.313 -14.472 1.00 0.00 H new ATOM 0 HG2 GLU A 40 8.081 -10.217 -13.682 1.00 0.00 H new ATOM 0 HG3 GLU A 40 6.661 -10.957 -12.970 1.00 0.00 H new ATOM 621 N LEU A 41 6.490 -6.154 -11.143 1.00 0.00 N ATOM 622 CA LEU A 41 6.037 -4.770 -10.966 1.00 0.00 C ATOM 623 C LEU A 41 6.977 -3.802 -11.688 1.00 0.00 C ATOM 624 O LEU A 41 6.547 -2.755 -12.165 1.00 0.00 O ATOM 625 CB LEU A 41 5.984 -4.403 -9.475 1.00 0.00 C ATOM 626 CG LEU A 41 5.050 -3.244 -9.094 1.00 0.00 C ATOM 627 CD1 LEU A 41 5.667 -1.910 -9.528 1.00 0.00 C ATOM 628 CD2 LEU A 41 3.690 -3.426 -9.776 1.00 0.00 C ATOM 0 H LEU A 41 6.706 -6.642 -10.274 1.00 0.00 H new ATOM 0 HA LEU A 41 5.037 -4.689 -11.391 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.679 -5.287 -8.915 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.993 -4.151 -9.148 1.00 0.00 H new ATOM 0 HG LEU A 41 4.914 -3.241 -8.013 1.00 0.00 H new ATOM 0 HD11 LEU A 41 4.999 -1.094 -9.254 1.00 0.00 H new ATOM 0 HD12 LEU A 41 6.628 -1.775 -9.031 1.00 0.00 H new ATOM 0 HD13 LEU A 41 5.814 -1.912 -10.608 1.00 0.00 H new ATOM 0 HD21 LEU A 41 3.032 -2.601 -9.502 1.00 0.00 H new ATOM 0 HD22 LEU A 41 3.824 -3.439 -10.858 1.00 0.00 H new ATOM 0 HD23 LEU A 41 3.245 -4.367 -9.454 1.00 0.00 H new ATOM 640 N GLY A 42 8.262 -4.170 -11.771 1.00 0.00 N ATOM 641 CA GLY A 42 9.253 -3.330 -12.447 1.00 0.00 C ATOM 642 C GLY A 42 8.855 -3.082 -13.901 1.00 0.00 C ATOM 643 O GLY A 42 9.050 -1.987 -14.425 1.00 0.00 O ATOM 0 H GLY A 42 8.635 -5.036 -11.382 1.00 0.00 H new ATOM 0 HA2 GLY A 42 9.347 -2.378 -11.924 1.00 0.00 H new ATOM 0 HA3 GLY A 42 10.230 -3.812 -12.410 1.00 0.00 H new ATOM 647 N LYS A 43 8.279 -4.111 -14.537 1.00 0.00 N ATOM 648 CA LYS A 43 7.837 -4.006 -15.929 1.00 0.00 C ATOM 649 C LYS A 43 6.759 -2.929 -16.077 1.00 0.00 C ATOM 650 O LYS A 43 6.707 -2.217 -17.082 1.00 0.00 O ATOM 651 CB LYS A 43 7.268 -5.348 -16.401 1.00 0.00 C ATOM 652 CG LYS A 43 7.759 -5.638 -17.815 1.00 0.00 C ATOM 653 CD LYS A 43 8.009 -7.142 -17.976 1.00 0.00 C ATOM 654 CE LYS A 43 6.788 -7.802 -18.624 1.00 0.00 C ATOM 655 NZ LYS A 43 6.875 -7.671 -20.108 1.00 0.00 N ATOM 0 H LYS A 43 8.110 -5.021 -14.109 1.00 0.00 H new ATOM 0 HA LYS A 43 8.699 -3.734 -16.538 1.00 0.00 H new ATOM 0 HB2 LYS A 43 7.579 -6.145 -15.726 1.00 0.00 H new ATOM 0 HB3 LYS A 43 6.179 -5.321 -16.381 1.00 0.00 H new ATOM 0 HG2 LYS A 43 7.020 -5.302 -18.543 1.00 0.00 H new ATOM 0 HG3 LYS A 43 8.676 -5.084 -18.013 1.00 0.00 H new ATOM 0 HD2 LYS A 43 8.894 -7.310 -18.590 1.00 0.00 H new ATOM 0 HD3 LYS A 43 8.206 -7.594 -17.004 1.00 0.00 H new ATOM 0 HE2 LYS A 43 6.740 -8.854 -18.344 1.00 0.00 H new ATOM 0 HE3 LYS A 43 5.873 -7.333 -18.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 6.045 -8.120 -20.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 6.901 -6.664 -20.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 7.740 -8.138 -20.448 1.00 0.00 H new ATOM 669 N VAL A 44 5.913 -2.818 -15.053 1.00 0.00 N ATOM 670 CA VAL A 44 4.837 -1.821 -15.051 1.00 0.00 C ATOM 671 C VAL A 44 5.384 -0.474 -14.571 1.00 0.00 C ATOM 672 O VAL A 44 4.958 0.582 -15.038 1.00 0.00 O ATOM 673 CB VAL A 44 3.635 -2.269 -14.169 1.00 0.00 C ATOM 674 CG1 VAL A 44 3.685 -3.783 -13.916 1.00 0.00 C ATOM 675 CG2 VAL A 44 3.639 -1.542 -12.816 1.00 0.00 C ATOM 0 H VAL A 44 5.949 -3.402 -14.217 1.00 0.00 H new ATOM 0 HA VAL A 44 4.467 -1.719 -16.071 1.00 0.00 H new ATOM 0 HB VAL A 44 2.723 -2.015 -14.710 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.837 -4.077 -13.298 1.00 0.00 H new ATOM 0 HG12 VAL A 44 3.641 -4.313 -14.868 1.00 0.00 H new ATOM 0 HG13 VAL A 44 4.613 -4.036 -13.403 1.00 0.00 H new ATOM 0 HG21 VAL A 44 2.788 -1.875 -12.222 1.00 0.00 H new ATOM 0 HG22 VAL A 44 4.564 -1.767 -12.285 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.568 -0.467 -12.980 1.00 0.00 H new ATOM 685 N MET A 45 6.349 -0.530 -13.642 1.00 0.00 N ATOM 686 CA MET A 45 6.970 0.681 -13.113 1.00 0.00 C ATOM 687 C MET A 45 7.664 1.454 -14.233 1.00 0.00 C ATOM 688 O MET A 45 7.692 2.684 -14.219 1.00 0.00 O ATOM 689 CB MET A 45 7.997 0.335 -12.029 1.00 0.00 C ATOM 690 CG MET A 45 8.093 1.489 -11.029 1.00 0.00 C ATOM 691 SD MET A 45 6.727 1.386 -9.845 1.00 0.00 S ATOM 692 CE MET A 45 7.716 1.538 -8.336 1.00 0.00 C ATOM 0 H MET A 45 6.711 -1.398 -13.247 1.00 0.00 H new ATOM 0 HA MET A 45 6.184 1.298 -12.677 1.00 0.00 H new ATOM 0 HB2 MET A 45 7.705 -0.581 -11.516 1.00 0.00 H new ATOM 0 HB3 MET A 45 8.971 0.150 -12.482 1.00 0.00 H new ATOM 0 HG2 MET A 45 9.047 1.449 -10.503 1.00 0.00 H new ATOM 0 HG3 MET A 45 8.060 2.443 -11.555 1.00 0.00 H new ATOM 0 HE1 MET A 45 7.061 1.498 -7.466 1.00 0.00 H new ATOM 0 HE2 MET A 45 8.434 0.719 -8.287 1.00 0.00 H new ATOM 0 HE3 MET A 45 8.250 2.488 -8.345 1.00 0.00 H new ATOM 702 N ARG A 46 8.209 0.718 -15.214 1.00 0.00 N ATOM 703 CA ARG A 46 8.885 1.359 -16.350 1.00 0.00 C ATOM 704 C ARG A 46 7.891 2.231 -17.118 1.00 0.00 C ATOM 705 O ARG A 46 8.228 3.329 -17.565 1.00 0.00 O ATOM 706 CB ARG A 46 9.482 0.320 -17.308 1.00 0.00 C ATOM 707 CG ARG A 46 10.445 -0.602 -16.555 1.00 0.00 C ATOM 708 CD ARG A 46 11.650 -0.921 -17.442 1.00 0.00 C ATOM 709 NE ARG A 46 12.090 -2.303 -17.244 1.00 0.00 N ATOM 710 CZ ARG A 46 13.272 -2.737 -17.703 1.00 0.00 C ATOM 711 NH1 ARG A 46 14.076 -1.928 -18.354 1.00 0.00 N ATOM 712 NH2 ARG A 46 13.627 -3.979 -17.501 1.00 0.00 N ATOM 0 H ARG A 46 8.196 -0.301 -15.244 1.00 0.00 H new ATOM 0 HA ARG A 46 9.696 1.970 -15.953 1.00 0.00 H new ATOM 0 HB2 ARG A 46 8.684 -0.268 -17.762 1.00 0.00 H new ATOM 0 HB3 ARG A 46 10.008 0.823 -18.119 1.00 0.00 H new ATOM 0 HG2 ARG A 46 10.776 -0.124 -15.633 1.00 0.00 H new ATOM 0 HG3 ARG A 46 9.936 -1.523 -16.271 1.00 0.00 H new ATOM 0 HD2 ARG A 46 11.389 -0.764 -18.489 1.00 0.00 H new ATOM 0 HD3 ARG A 46 12.468 -0.238 -17.212 1.00 0.00 H new ATOM 0 HE ARG A 46 11.482 -2.952 -16.744 1.00 0.00 H new ATOM 0 HH11 ARG A 46 13.803 -0.958 -18.515 1.00 0.00 H new ATOM 0 HH12 ARG A 46 14.973 -2.269 -18.699 1.00 0.00 H new ATOM 0 HH21 ARG A 46 13.006 -4.611 -16.997 1.00 0.00 H new ATOM 0 HH22 ARG A 46 14.525 -4.316 -17.848 1.00 0.00 H new ATOM 726 N MET A 47 6.652 1.735 -17.241 1.00 0.00 N ATOM 727 CA MET A 47 5.595 2.479 -17.929 1.00 0.00 C ATOM 728 C MET A 47 5.239 3.738 -17.132 1.00 0.00 C ATOM 729 O MET A 47 4.939 4.787 -17.705 1.00 0.00 O ATOM 730 CB MET A 47 4.340 1.612 -18.087 1.00 0.00 C ATOM 731 CG MET A 47 4.543 0.614 -19.231 1.00 0.00 C ATOM 732 SD MET A 47 4.395 1.473 -20.819 1.00 0.00 S ATOM 733 CE MET A 47 6.114 1.275 -21.348 1.00 0.00 C ATOM 0 H MET A 47 6.361 0.828 -16.875 1.00 0.00 H new ATOM 0 HA MET A 47 5.961 2.759 -18.917 1.00 0.00 H new ATOM 0 HB2 MET A 47 4.135 1.079 -17.159 1.00 0.00 H new ATOM 0 HB3 MET A 47 3.474 2.242 -18.290 1.00 0.00 H new ATOM 0 HG2 MET A 47 5.524 0.146 -19.149 1.00 0.00 H new ATOM 0 HG3 MET A 47 3.803 -0.184 -19.167 1.00 0.00 H new ATOM 0 HE1 MET A 47 6.362 2.047 -22.076 1.00 0.00 H new ATOM 0 HE2 MET A 47 6.773 1.365 -20.485 1.00 0.00 H new ATOM 0 HE3 MET A 47 6.244 0.293 -21.802 1.00 0.00 H new ATOM 743 N LEU A 48 5.299 3.618 -15.797 1.00 0.00 N ATOM 744 CA LEU A 48 5.007 4.745 -14.908 1.00 0.00 C ATOM 745 C LEU A 48 6.077 5.829 -15.061 1.00 0.00 C ATOM 746 O LEU A 48 5.792 7.023 -14.946 1.00 0.00 O ATOM 747 CB LEU A 48 4.990 4.280 -13.447 1.00 0.00 C ATOM 748 CG LEU A 48 3.637 3.792 -12.916 1.00 0.00 C ATOM 749 CD1 LEU A 48 3.168 2.574 -13.717 1.00 0.00 C ATOM 750 CD2 LEU A 48 3.794 3.401 -11.444 1.00 0.00 C ATOM 0 H LEU A 48 5.546 2.754 -15.314 1.00 0.00 H new ATOM 0 HA LEU A 48 4.030 5.146 -15.179 1.00 0.00 H new ATOM 0 HB2 LEU A 48 5.715 3.474 -13.334 1.00 0.00 H new ATOM 0 HB3 LEU A 48 5.329 5.104 -12.819 1.00 0.00 H new ATOM 0 HG LEU A 48 2.899 4.588 -13.016 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.206 2.234 -13.333 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.063 2.847 -14.767 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.900 1.772 -13.622 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.837 3.052 -11.056 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.533 2.605 -11.356 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.124 4.267 -10.871 1.00 0.00 H new ATOM 762 N GLY A 49 7.314 5.389 -15.326 1.00 0.00 N ATOM 763 CA GLY A 49 8.439 6.310 -15.502 1.00 0.00 C ATOM 764 C GLY A 49 9.610 5.980 -14.561 1.00 0.00 C ATOM 765 O GLY A 49 10.546 6.771 -14.438 1.00 0.00 O ATOM 0 H GLY A 49 7.558 4.403 -15.423 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.782 6.269 -16.536 1.00 0.00 H new ATOM 0 HA3 GLY A 49 8.103 7.331 -15.318 1.00 0.00 H new ATOM 769 N GLN A 50 9.557 4.811 -13.902 1.00 0.00 N ATOM 770 CA GLN A 50 10.628 4.407 -12.983 1.00 0.00 C ATOM 771 C GLN A 50 11.176 3.037 -13.379 1.00 0.00 C ATOM 772 O GLN A 50 10.429 2.152 -13.795 1.00 0.00 O ATOM 773 CB GLN A 50 10.125 4.328 -11.532 1.00 0.00 C ATOM 774 CG GLN A 50 9.157 5.481 -11.232 1.00 0.00 C ATOM 775 CD GLN A 50 9.914 6.808 -11.211 1.00 0.00 C ATOM 776 OE1 GLN A 50 10.949 6.932 -10.557 1.00 0.00 O ATOM 777 NE2 GLN A 50 9.450 7.820 -11.894 1.00 0.00 N ATOM 0 H GLN A 50 8.794 4.139 -13.988 1.00 0.00 H new ATOM 0 HA GLN A 50 11.411 5.162 -13.048 1.00 0.00 H new ATOM 0 HB2 GLN A 50 9.625 3.374 -11.366 1.00 0.00 H new ATOM 0 HB3 GLN A 50 10.971 4.368 -10.846 1.00 0.00 H new ATOM 0 HG2 GLN A 50 8.372 5.513 -11.987 1.00 0.00 H new ATOM 0 HG3 GLN A 50 8.669 5.316 -10.271 1.00 0.00 H new ATOM 0 HE21 GLN A 50 8.592 7.719 -12.437 1.00 0.00 H new ATOM 0 HE22 GLN A 50 9.945 8.712 -11.885 1.00 0.00 H new ATOM 786 N ASN A 51 12.492 2.870 -13.239 1.00 0.00 N ATOM 787 CA ASN A 51 13.137 1.599 -13.583 1.00 0.00 C ATOM 788 C ASN A 51 13.909 1.040 -12.376 1.00 0.00 C ATOM 789 O ASN A 51 15.142 0.988 -12.385 1.00 0.00 O ATOM 790 CB ASN A 51 14.114 1.805 -14.751 1.00 0.00 C ATOM 791 CG ASN A 51 13.355 1.850 -16.078 1.00 0.00 C ATOM 792 OD1 ASN A 51 12.173 2.200 -16.122 1.00 0.00 O ATOM 793 ND2 ASN A 51 13.973 1.517 -17.179 1.00 0.00 N ATOM 0 H ASN A 51 13.127 3.589 -12.894 1.00 0.00 H new ATOM 0 HA ASN A 51 12.361 0.890 -13.871 1.00 0.00 H new ATOM 0 HB2 ASN A 51 14.669 2.733 -14.610 1.00 0.00 H new ATOM 0 HB3 ASN A 51 14.845 0.996 -14.770 1.00 0.00 H new ATOM 0 HD21 ASN A 51 13.478 1.547 -18.071 1.00 0.00 H new ATOM 0 HD22 ASN A 51 14.950 1.227 -17.148 1.00 0.00 H new ATOM 800 N PRO A 52 13.194 0.620 -11.318 1.00 0.00 N ATOM 801 CA PRO A 52 13.831 0.068 -10.104 1.00 0.00 C ATOM 802 C PRO A 52 14.166 -1.422 -10.239 1.00 0.00 C ATOM 803 O PRO A 52 14.249 -1.958 -11.347 1.00 0.00 O ATOM 804 CB PRO A 52 12.750 0.292 -9.050 1.00 0.00 C ATOM 805 CG PRO A 52 11.419 0.360 -9.784 1.00 0.00 C ATOM 806 CD PRO A 52 11.717 0.666 -11.257 1.00 0.00 C ATOM 0 HA PRO A 52 14.788 0.537 -9.876 1.00 0.00 H new ATOM 0 HB2 PRO A 52 12.748 -0.519 -8.322 1.00 0.00 H new ATOM 0 HB3 PRO A 52 12.934 1.214 -8.499 1.00 0.00 H new ATOM 0 HG2 PRO A 52 10.881 -0.583 -9.690 1.00 0.00 H new ATOM 0 HG3 PRO A 52 10.783 1.133 -9.353 1.00 0.00 H new ATOM 0 HD2 PRO A 52 11.263 -0.070 -11.921 1.00 0.00 H new ATOM 0 HD3 PRO A 52 11.332 1.642 -11.552 1.00 0.00 H new ATOM 814 N THR A 53 14.353 -2.082 -9.094 1.00 0.00 N ATOM 815 CA THR A 53 14.675 -3.512 -9.072 1.00 0.00 C ATOM 816 C THR A 53 13.471 -4.294 -8.534 1.00 0.00 C ATOM 817 O THR A 53 12.515 -3.695 -8.040 1.00 0.00 O ATOM 818 CB THR A 53 15.903 -3.767 -8.175 1.00 0.00 C ATOM 819 OG1 THR A 53 15.502 -3.823 -6.812 1.00 0.00 O ATOM 820 CG2 THR A 53 16.919 -2.637 -8.353 1.00 0.00 C ATOM 0 H THR A 53 14.287 -1.651 -8.172 1.00 0.00 H new ATOM 0 HA THR A 53 14.905 -3.843 -10.085 1.00 0.00 H new ATOM 0 HB THR A 53 16.358 -4.716 -8.461 1.00 0.00 H new ATOM 0 HG1 THR A 53 16.286 -3.987 -6.247 1.00 0.00 H new ATOM 0 HG21 THR A 53 17.785 -2.822 -7.717 1.00 0.00 H new ATOM 0 HG22 THR A 53 17.237 -2.594 -9.395 1.00 0.00 H new ATOM 0 HG23 THR A 53 16.460 -1.688 -8.074 1.00 0.00 H new ATOM 828 N PRO A 54 13.503 -5.634 -8.602 1.00 0.00 N ATOM 829 CA PRO A 54 12.390 -6.459 -8.092 1.00 0.00 C ATOM 830 C PRO A 54 12.355 -6.491 -6.562 1.00 0.00 C ATOM 831 O PRO A 54 11.299 -6.694 -5.959 1.00 0.00 O ATOM 832 CB PRO A 54 12.691 -7.831 -8.687 1.00 0.00 C ATOM 833 CG PRO A 54 14.180 -7.861 -8.998 1.00 0.00 C ATOM 834 CD PRO A 54 14.634 -6.406 -9.165 1.00 0.00 C ATOM 0 HA PRO A 54 11.408 -6.077 -8.371 1.00 0.00 H new ATOM 0 HB2 PRO A 54 12.427 -8.622 -7.986 1.00 0.00 H new ATOM 0 HB3 PRO A 54 12.104 -7.997 -9.591 1.00 0.00 H new ATOM 0 HG2 PRO A 54 14.732 -8.347 -8.194 1.00 0.00 H new ATOM 0 HG3 PRO A 54 14.373 -8.431 -9.907 1.00 0.00 H new ATOM 0 HD2 PRO A 54 15.563 -6.210 -8.629 1.00 0.00 H new ATOM 0 HD3 PRO A 54 14.811 -6.157 -10.211 1.00 0.00 H new ATOM 842 N GLU A 55 13.519 -6.253 -5.946 1.00 0.00 N ATOM 843 CA GLU A 55 13.616 -6.222 -4.489 1.00 0.00 C ATOM 844 C GLU A 55 13.142 -4.863 -3.964 1.00 0.00 C ATOM 845 O GLU A 55 12.492 -4.784 -2.920 1.00 0.00 O ATOM 846 CB GLU A 55 15.062 -6.460 -4.035 1.00 0.00 C ATOM 847 CG GLU A 55 15.547 -7.822 -4.544 1.00 0.00 C ATOM 848 CD GLU A 55 16.641 -8.356 -3.623 1.00 0.00 C ATOM 849 OE1 GLU A 55 16.302 -8.903 -2.587 1.00 0.00 O ATOM 850 OE2 GLU A 55 17.802 -8.211 -3.969 1.00 0.00 O ATOM 0 H GLU A 55 14.399 -6.081 -6.433 1.00 0.00 H new ATOM 0 HA GLU A 55 12.984 -7.015 -4.089 1.00 0.00 H new ATOM 0 HB2 GLU A 55 15.707 -5.668 -4.415 1.00 0.00 H new ATOM 0 HB3 GLU A 55 15.122 -6.425 -2.947 1.00 0.00 H new ATOM 0 HG2 GLU A 55 14.714 -8.525 -4.581 1.00 0.00 H new ATOM 0 HG3 GLU A 55 15.929 -7.726 -5.560 1.00 0.00 H new ATOM 857 N GLU A 56 13.470 -3.792 -4.707 1.00 0.00 N ATOM 858 CA GLU A 56 13.069 -2.439 -4.311 1.00 0.00 C ATOM 859 C GLU A 56 11.551 -2.279 -4.405 1.00 0.00 C ATOM 860 O GLU A 56 10.901 -1.868 -3.442 1.00 0.00 O ATOM 861 CB GLU A 56 13.738 -1.393 -5.210 1.00 0.00 C ATOM 862 CG GLU A 56 15.180 -1.163 -4.747 1.00 0.00 C ATOM 863 CD GLU A 56 15.727 0.109 -5.391 1.00 0.00 C ATOM 864 OE1 GLU A 56 16.183 0.029 -6.519 1.00 0.00 O ATOM 865 OE2 GLU A 56 15.681 1.143 -4.745 1.00 0.00 O ATOM 0 H GLU A 56 14.005 -3.839 -5.574 1.00 0.00 H new ATOM 0 HA GLU A 56 13.386 -2.286 -3.280 1.00 0.00 H new ATOM 0 HB2 GLU A 56 13.728 -1.730 -6.247 1.00 0.00 H new ATOM 0 HB3 GLU A 56 13.180 -0.457 -5.173 1.00 0.00 H new ATOM 0 HG2 GLU A 56 15.215 -1.077 -3.661 1.00 0.00 H new ATOM 0 HG3 GLU A 56 15.801 -2.017 -5.019 1.00 0.00 H new ATOM 872 N LEU A 57 10.994 -2.607 -5.577 1.00 0.00 N ATOM 873 CA LEU A 57 9.549 -2.496 -5.793 1.00 0.00 C ATOM 874 C LEU A 57 8.763 -3.401 -4.837 1.00 0.00 C ATOM 875 O LEU A 57 7.638 -3.075 -4.457 1.00 0.00 O ATOM 876 CB LEU A 57 9.192 -2.869 -7.236 1.00 0.00 C ATOM 877 CG LEU A 57 9.534 -4.307 -7.652 1.00 0.00 C ATOM 878 CD1 LEU A 57 8.376 -5.243 -7.293 1.00 0.00 C ATOM 879 CD2 LEU A 57 9.770 -4.351 -9.163 1.00 0.00 C ATOM 0 H LEU A 57 11.518 -2.948 -6.383 1.00 0.00 H new ATOM 0 HA LEU A 57 9.275 -1.459 -5.598 1.00 0.00 H new ATOM 0 HB2 LEU A 57 8.123 -2.713 -7.379 1.00 0.00 H new ATOM 0 HB3 LEU A 57 9.707 -2.183 -7.908 1.00 0.00 H new ATOM 0 HG LEU A 57 10.433 -4.630 -7.126 1.00 0.00 H new ATOM 0 HD11 LEU A 57 8.626 -6.261 -7.591 1.00 0.00 H new ATOM 0 HD12 LEU A 57 8.203 -5.212 -6.217 1.00 0.00 H new ATOM 0 HD13 LEU A 57 7.474 -4.923 -7.815 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.013 -5.370 -9.464 1.00 0.00 H new ATOM 0 HD22 LEU A 57 8.868 -4.025 -9.682 1.00 0.00 H new ATOM 0 HD23 LEU A 57 10.597 -3.689 -9.422 1.00 0.00 H new ATOM 891 N GLN A 58 9.360 -4.542 -4.460 1.00 0.00 N ATOM 892 CA GLN A 58 8.692 -5.485 -3.554 1.00 0.00 C ATOM 893 C GLN A 58 8.292 -4.808 -2.240 1.00 0.00 C ATOM 894 O GLN A 58 7.246 -5.121 -1.670 1.00 0.00 O ATOM 895 CB GLN A 58 9.598 -6.685 -3.248 1.00 0.00 C ATOM 896 CG GLN A 58 9.065 -7.931 -3.968 1.00 0.00 C ATOM 897 CD GLN A 58 7.681 -8.294 -3.427 1.00 0.00 C ATOM 898 OE1 GLN A 58 7.555 -8.776 -2.301 1.00 0.00 O ATOM 899 NE2 GLN A 58 6.624 -8.086 -4.168 1.00 0.00 N ATOM 0 H GLN A 58 10.290 -4.830 -4.764 1.00 0.00 H new ATOM 0 HA GLN A 58 7.791 -5.832 -4.060 1.00 0.00 H new ATOM 0 HB2 GLN A 58 10.618 -6.475 -3.571 1.00 0.00 H new ATOM 0 HB3 GLN A 58 9.634 -6.861 -2.173 1.00 0.00 H new ATOM 0 HG2 GLN A 58 9.008 -7.745 -5.041 1.00 0.00 H new ATOM 0 HG3 GLN A 58 9.751 -8.766 -3.825 1.00 0.00 H new ATOM 0 HE21 GLN A 58 6.726 -7.687 -5.101 1.00 0.00 H new ATOM 0 HE22 GLN A 58 5.698 -8.323 -3.813 1.00 0.00 H new ATOM 908 N GLU A 59 9.122 -3.868 -1.772 1.00 0.00 N ATOM 909 CA GLU A 59 8.825 -3.144 -0.531 1.00 0.00 C ATOM 910 C GLU A 59 7.535 -2.339 -0.687 1.00 0.00 C ATOM 911 O GLU A 59 6.694 -2.309 0.215 1.00 0.00 O ATOM 912 CB GLU A 59 9.970 -2.192 -0.169 1.00 0.00 C ATOM 913 CG GLU A 59 10.996 -2.927 0.700 1.00 0.00 C ATOM 914 CD GLU A 59 10.528 -2.934 2.153 1.00 0.00 C ATOM 915 OE1 GLU A 59 10.819 -1.979 2.853 1.00 0.00 O ATOM 916 OE2 GLU A 59 9.884 -3.895 2.543 1.00 0.00 O ATOM 0 H GLU A 59 9.993 -3.594 -2.227 1.00 0.00 H new ATOM 0 HA GLU A 59 8.707 -3.877 0.267 1.00 0.00 H new ATOM 0 HB2 GLU A 59 10.447 -1.820 -1.076 1.00 0.00 H new ATOM 0 HB3 GLU A 59 9.580 -1.325 0.365 1.00 0.00 H new ATOM 0 HG2 GLU A 59 11.123 -3.949 0.344 1.00 0.00 H new ATOM 0 HG3 GLU A 59 11.968 -2.440 0.623 1.00 0.00 H new ATOM 923 N MET A 60 7.381 -1.706 -1.855 1.00 0.00 N ATOM 924 CA MET A 60 6.179 -0.920 -2.146 1.00 0.00 C ATOM 925 C MET A 60 4.975 -1.848 -2.272 1.00 0.00 C ATOM 926 O MET A 60 3.877 -1.529 -1.817 1.00 0.00 O ATOM 927 CB MET A 60 6.340 -0.134 -3.451 1.00 0.00 C ATOM 928 CG MET A 60 7.614 0.714 -3.392 1.00 0.00 C ATOM 929 SD MET A 60 7.317 2.186 -2.380 1.00 0.00 S ATOM 930 CE MET A 60 6.635 3.227 -3.692 1.00 0.00 C ATOM 0 H MET A 60 8.068 -1.722 -2.608 1.00 0.00 H new ATOM 0 HA MET A 60 6.028 -0.217 -1.327 1.00 0.00 H new ATOM 0 HB2 MET A 60 6.388 -0.821 -4.296 1.00 0.00 H new ATOM 0 HB3 MET A 60 5.473 0.507 -3.610 1.00 0.00 H new ATOM 0 HG2 MET A 60 8.433 0.130 -2.971 1.00 0.00 H new ATOM 0 HG3 MET A 60 7.915 1.006 -4.398 1.00 0.00 H new ATOM 0 HE1 MET A 60 5.934 3.942 -3.262 1.00 0.00 H new ATOM 0 HE2 MET A 60 7.444 3.764 -4.187 1.00 0.00 H new ATOM 0 HE3 MET A 60 6.116 2.603 -4.419 1.00 0.00 H new ATOM 940 N ILE A 61 5.209 -3.011 -2.891 1.00 0.00 N ATOM 941 CA ILE A 61 4.157 -4.014 -3.078 1.00 0.00 C ATOM 942 C ILE A 61 3.630 -4.485 -1.721 1.00 0.00 C ATOM 943 O ILE A 61 2.429 -4.472 -1.478 1.00 0.00 O ATOM 944 CB ILE A 61 4.697 -5.225 -3.857 1.00 0.00 C ATOM 945 CG1 ILE A 61 4.994 -4.820 -5.309 1.00 0.00 C ATOM 946 CG2 ILE A 61 3.668 -6.362 -3.840 1.00 0.00 C ATOM 947 CD1 ILE A 61 3.717 -4.319 -5.992 1.00 0.00 C ATOM 0 H ILE A 61 6.117 -3.280 -3.270 1.00 0.00 H new ATOM 0 HA ILE A 61 3.347 -3.555 -3.646 1.00 0.00 H new ATOM 0 HB ILE A 61 5.616 -5.569 -3.383 1.00 0.00 H new ATOM 0 HG12 ILE A 61 5.755 -4.040 -5.328 1.00 0.00 H new ATOM 0 HG13 ILE A 61 5.397 -5.672 -5.856 1.00 0.00 H new ATOM 0 HG21 ILE A 61 4.059 -7.215 -4.394 1.00 0.00 H new ATOM 0 HG22 ILE A 61 3.470 -6.658 -2.810 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.742 -6.022 -4.304 1.00 0.00 H new ATOM 0 HD11 ILE A 61 3.942 -4.035 -7.020 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.968 -5.111 -5.989 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.332 -3.454 -5.453 1.00 0.00 H new ATOM 959 N ASP A 62 4.545 -4.901 -0.843 1.00 0.00 N ATOM 960 CA ASP A 62 4.164 -5.377 0.491 1.00 0.00 C ATOM 961 C ASP A 62 3.337 -4.321 1.236 1.00 0.00 C ATOM 962 O ASP A 62 2.409 -4.654 1.974 1.00 0.00 O ATOM 963 CB ASP A 62 5.413 -5.706 1.318 1.00 0.00 C ATOM 964 CG ASP A 62 5.207 -7.022 2.061 1.00 0.00 C ATOM 965 OD1 ASP A 62 5.421 -8.061 1.457 1.00 0.00 O ATOM 966 OD2 ASP A 62 4.843 -6.973 3.225 1.00 0.00 O ATOM 0 H ASP A 62 5.548 -4.919 -1.028 1.00 0.00 H new ATOM 0 HA ASP A 62 3.561 -6.276 0.361 1.00 0.00 H new ATOM 0 HB2 ASP A 62 6.284 -5.778 0.666 1.00 0.00 H new ATOM 0 HB3 ASP A 62 5.612 -4.904 2.028 1.00 0.00 H new ATOM 971 N GLU A 63 3.695 -3.047 1.036 1.00 0.00 N ATOM 972 CA GLU A 63 2.992 -1.942 1.696 1.00 0.00 C ATOM 973 C GLU A 63 1.609 -1.696 1.078 1.00 0.00 C ATOM 974 O GLU A 63 0.624 -1.520 1.797 1.00 0.00 O ATOM 975 CB GLU A 63 3.815 -0.654 1.593 1.00 0.00 C ATOM 976 CG GLU A 63 5.027 -0.740 2.526 1.00 0.00 C ATOM 977 CD GLU A 63 4.603 -0.397 3.951 1.00 0.00 C ATOM 978 OE1 GLU A 63 4.562 0.780 4.270 1.00 0.00 O ATOM 979 OE2 GLU A 63 4.326 -1.317 4.704 1.00 0.00 O ATOM 0 H GLU A 63 4.461 -2.758 0.428 1.00 0.00 H new ATOM 0 HA GLU A 63 2.861 -2.223 2.741 1.00 0.00 H new ATOM 0 HB2 GLU A 63 4.145 -0.503 0.565 1.00 0.00 H new ATOM 0 HB3 GLU A 63 3.199 0.205 1.859 1.00 0.00 H new ATOM 0 HG2 GLU A 63 5.452 -1.743 2.494 1.00 0.00 H new ATOM 0 HG3 GLU A 63 5.805 -0.053 2.192 1.00 0.00 H new ATOM 986 N VAL A 64 1.548 -1.663 -0.260 1.00 0.00 N ATOM 987 CA VAL A 64 0.280 -1.410 -0.960 1.00 0.00 C ATOM 988 C VAL A 64 -0.648 -2.635 -0.922 1.00 0.00 C ATOM 989 O VAL A 64 -1.865 -2.491 -0.786 1.00 0.00 O ATOM 990 CB VAL A 64 0.539 -1.002 -2.421 1.00 0.00 C ATOM 991 CG1 VAL A 64 1.175 -2.163 -3.194 1.00 0.00 C ATOM 992 CG2 VAL A 64 -0.783 -0.613 -3.090 1.00 0.00 C ATOM 0 H VAL A 64 2.350 -1.806 -0.873 1.00 0.00 H new ATOM 0 HA VAL A 64 -0.217 -0.592 -0.438 1.00 0.00 H new ATOM 0 HB VAL A 64 1.221 -0.152 -2.430 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.352 -1.859 -4.226 1.00 0.00 H new ATOM 0 HG12 VAL A 64 2.122 -2.435 -2.728 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.503 -3.021 -3.179 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.596 -0.325 -4.124 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -1.466 -1.462 -3.068 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -1.229 0.225 -2.555 1.00 0.00 H new ATOM 1002 N ASP A 65 -0.068 -3.832 -1.046 1.00 0.00 N ATOM 1003 CA ASP A 65 -0.858 -5.063 -1.027 1.00 0.00 C ATOM 1004 C ASP A 65 -1.335 -5.363 0.393 1.00 0.00 C ATOM 1005 O ASP A 65 -0.550 -5.757 1.259 1.00 0.00 O ATOM 1006 CB ASP A 65 -0.031 -6.247 -1.553 1.00 0.00 C ATOM 1007 CG ASP A 65 -0.828 -7.007 -2.613 1.00 0.00 C ATOM 1008 OD1 ASP A 65 -1.633 -7.843 -2.237 1.00 0.00 O ATOM 1009 OD2 ASP A 65 -0.618 -6.742 -3.785 1.00 0.00 O ATOM 0 H ASP A 65 0.936 -3.973 -1.159 1.00 0.00 H new ATOM 0 HA ASP A 65 -1.723 -4.922 -1.675 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.906 -5.887 -1.978 1.00 0.00 H new ATOM 0 HB3 ASP A 65 0.228 -6.915 -0.731 1.00 0.00 H new ATOM 1014 N GLU A 66 -2.637 -5.166 0.616 1.00 0.00 N ATOM 1015 CA GLU A 66 -3.236 -5.411 1.933 1.00 0.00 C ATOM 1016 C GLU A 66 -3.182 -6.898 2.268 1.00 0.00 C ATOM 1017 O GLU A 66 -2.783 -7.291 3.366 1.00 0.00 O ATOM 1018 CB GLU A 66 -4.702 -4.959 1.957 1.00 0.00 C ATOM 1019 CG GLU A 66 -4.806 -3.500 1.506 1.00 0.00 C ATOM 1020 CD GLU A 66 -6.234 -3.002 1.708 1.00 0.00 C ATOM 1021 OE1 GLU A 66 -7.030 -3.156 0.796 1.00 0.00 O ATOM 1022 OE2 GLU A 66 -6.511 -2.474 2.773 1.00 0.00 O ATOM 0 H GLU A 66 -3.294 -4.840 -0.093 1.00 0.00 H new ATOM 0 HA GLU A 66 -2.668 -4.841 2.668 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -5.298 -5.594 1.302 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.108 -5.068 2.963 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -4.111 -2.883 2.075 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -4.525 -3.412 0.457 1.00 0.00 H new ATOM 1029 N ASP A 67 -3.591 -7.716 1.299 1.00 0.00 N ATOM 1030 CA ASP A 67 -3.598 -9.170 1.475 1.00 0.00 C ATOM 1031 C ASP A 67 -2.191 -9.750 1.302 1.00 0.00 C ATOM 1032 O ASP A 67 -1.800 -10.671 2.021 1.00 0.00 O ATOM 1033 CB ASP A 67 -4.553 -9.839 0.467 1.00 0.00 C ATOM 1034 CG ASP A 67 -4.316 -9.294 -0.946 1.00 0.00 C ATOM 1035 OD1 ASP A 67 -4.755 -8.188 -1.222 1.00 0.00 O ATOM 1036 OD2 ASP A 67 -3.705 -9.994 -1.732 1.00 0.00 O ATOM 0 H ASP A 67 -3.921 -7.400 0.387 1.00 0.00 H new ATOM 0 HA ASP A 67 -3.945 -9.376 2.488 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -4.402 -10.918 0.476 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -5.587 -9.659 0.763 1.00 0.00 H new ATOM 1041 N GLY A 68 -1.433 -9.201 0.347 1.00 0.00 N ATOM 1042 CA GLY A 68 -0.072 -9.674 0.090 1.00 0.00 C ATOM 1043 C GLY A 68 -0.097 -11.021 -0.628 1.00 0.00 C ATOM 1044 O GLY A 68 0.615 -11.954 -0.251 1.00 0.00 O ATOM 0 H GLY A 68 -1.737 -8.436 -0.255 1.00 0.00 H new ATOM 0 HA2 GLY A 68 0.464 -8.943 -0.515 1.00 0.00 H new ATOM 0 HA3 GLY A 68 0.470 -9.768 1.031 1.00 0.00 H new ATOM 1048 N SER A 69 -0.935 -11.109 -1.665 1.00 0.00 N ATOM 1049 CA SER A 69 -1.067 -12.347 -2.442 1.00 0.00 C ATOM 1050 C SER A 69 0.061 -12.501 -3.473 1.00 0.00 C ATOM 1051 O SER A 69 0.232 -13.575 -4.053 1.00 0.00 O ATOM 1052 CB SER A 69 -2.408 -12.373 -3.184 1.00 0.00 C ATOM 1053 OG SER A 69 -2.540 -11.193 -3.970 1.00 0.00 O ATOM 0 H SER A 69 -1.529 -10.344 -1.985 1.00 0.00 H new ATOM 0 HA SER A 69 -1.010 -13.172 -1.731 1.00 0.00 H new ATOM 0 HB2 SER A 69 -2.466 -13.255 -3.821 1.00 0.00 H new ATOM 0 HB3 SER A 69 -3.229 -12.441 -2.470 1.00 0.00 H new ATOM 0 HG SER A 69 -2.961 -10.489 -3.435 1.00 0.00 H new ATOM 1059 N GLY A 70 0.811 -11.419 -3.715 1.00 0.00 N ATOM 1060 CA GLY A 70 1.892 -11.455 -4.698 1.00 0.00 C ATOM 1061 C GLY A 70 1.389 -10.995 -6.069 1.00 0.00 C ATOM 1062 O GLY A 70 2.024 -11.253 -7.094 1.00 0.00 O ATOM 0 H GLY A 70 0.689 -10.520 -3.249 1.00 0.00 H new ATOM 0 HA2 GLY A 70 2.710 -10.813 -4.371 1.00 0.00 H new ATOM 0 HA3 GLY A 70 2.290 -12.467 -4.772 1.00 0.00 H new ATOM 1066 N THR A 71 0.238 -10.306 -6.074 1.00 0.00 N ATOM 1067 CA THR A 71 -0.354 -9.805 -7.312 1.00 0.00 C ATOM 1068 C THR A 71 -1.010 -8.449 -7.057 1.00 0.00 C ATOM 1069 O THR A 71 -1.729 -8.272 -6.070 1.00 0.00 O ATOM 1070 CB THR A 71 -1.409 -10.782 -7.852 1.00 0.00 C ATOM 1071 OG1 THR A 71 -2.506 -10.859 -6.946 1.00 0.00 O ATOM 1072 CG2 THR A 71 -0.786 -12.169 -8.021 1.00 0.00 C ATOM 0 H THR A 71 -0.296 -10.086 -5.234 1.00 0.00 H new ATOM 0 HA THR A 71 0.440 -9.703 -8.052 1.00 0.00 H new ATOM 0 HB THR A 71 -1.766 -10.425 -8.818 1.00 0.00 H new ATOM 0 HG1 THR A 71 -3.328 -11.053 -7.443 1.00 0.00 H new ATOM 0 HG21 THR A 71 -1.536 -12.861 -8.404 1.00 0.00 H new ATOM 0 HG22 THR A 71 0.046 -12.111 -8.723 1.00 0.00 H new ATOM 0 HG23 THR A 71 -0.423 -12.525 -7.057 1.00 0.00 H new ATOM 1080 N VAL A 72 -0.755 -7.492 -7.951 1.00 0.00 N ATOM 1081 CA VAL A 72 -1.329 -6.154 -7.798 1.00 0.00 C ATOM 1082 C VAL A 72 -2.626 -6.030 -8.589 1.00 0.00 C ATOM 1083 O VAL A 72 -2.629 -6.090 -9.820 1.00 0.00 O ATOM 1084 CB VAL A 72 -0.366 -5.062 -8.284 1.00 0.00 C ATOM 1085 CG1 VAL A 72 -0.781 -3.718 -7.678 1.00 0.00 C ATOM 1086 CG2 VAL A 72 1.070 -5.386 -7.858 1.00 0.00 C ATOM 0 H VAL A 72 -0.166 -7.614 -8.774 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.520 -6.017 -6.734 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.409 -5.012 -9.372 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -0.100 -2.939 -8.020 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -1.796 -3.476 -7.991 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -0.742 -3.782 -6.591 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.740 -4.602 -8.211 1.00 0.00 H new ATOM 0 HG22 VAL A 72 1.122 -5.446 -6.771 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.371 -6.341 -8.289 1.00 0.00 H new ATOM 1096 N ASP A 73 -3.723 -5.818 -7.868 1.00 0.00 N ATOM 1097 CA ASP A 73 -5.025 -5.643 -8.507 1.00 0.00 C ATOM 1098 C ASP A 73 -5.132 -4.203 -8.993 1.00 0.00 C ATOM 1099 O ASP A 73 -4.291 -3.372 -8.653 1.00 0.00 O ATOM 1100 CB ASP A 73 -6.160 -5.935 -7.520 1.00 0.00 C ATOM 1101 CG ASP A 73 -6.189 -7.429 -7.193 1.00 0.00 C ATOM 1102 OD1 ASP A 73 -5.398 -7.852 -6.364 1.00 0.00 O ATOM 1103 OD2 ASP A 73 -7.002 -8.127 -7.776 1.00 0.00 O ATOM 0 H ASP A 73 -3.738 -5.763 -6.850 1.00 0.00 H new ATOM 0 HA ASP A 73 -5.113 -6.338 -9.342 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -6.019 -5.356 -6.607 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -7.114 -5.628 -7.948 1.00 0.00 H new ATOM 1108 N PHE A 74 -6.153 -3.899 -9.794 1.00 0.00 N ATOM 1109 CA PHE A 74 -6.309 -2.535 -10.299 1.00 0.00 C ATOM 1110 C PHE A 74 -6.472 -1.540 -9.144 1.00 0.00 C ATOM 1111 O PHE A 74 -5.993 -0.407 -9.220 1.00 0.00 O ATOM 1112 CB PHE A 74 -7.502 -2.419 -11.248 1.00 0.00 C ATOM 1113 CG PHE A 74 -7.373 -1.144 -12.043 1.00 0.00 C ATOM 1114 CD1 PHE A 74 -6.166 -0.847 -12.689 1.00 0.00 C ATOM 1115 CD2 PHE A 74 -8.453 -0.260 -12.133 1.00 0.00 C ATOM 1116 CE1 PHE A 74 -6.042 0.333 -13.423 1.00 0.00 C ATOM 1117 CE2 PHE A 74 -8.326 0.922 -12.868 1.00 0.00 C ATOM 1118 CZ PHE A 74 -7.121 1.219 -13.512 1.00 0.00 C ATOM 0 H PHE A 74 -6.867 -4.559 -10.101 1.00 0.00 H new ATOM 0 HA PHE A 74 -5.403 -2.294 -10.854 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -7.536 -3.279 -11.917 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -8.434 -2.418 -10.683 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -5.333 -1.530 -12.619 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -9.383 -0.490 -11.635 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -5.113 0.563 -13.923 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -9.159 1.606 -12.939 1.00 0.00 H new ATOM 0 HZ PHE A 74 -7.023 2.133 -14.079 1.00 0.00 H new ATOM 1128 N ASP A 75 -7.130 -1.984 -8.066 1.00 0.00 N ATOM 1129 CA ASP A 75 -7.321 -1.130 -6.891 1.00 0.00 C ATOM 1130 C ASP A 75 -5.969 -0.857 -6.230 1.00 0.00 C ATOM 1131 O ASP A 75 -5.656 0.281 -5.875 1.00 0.00 O ATOM 1132 CB ASP A 75 -8.252 -1.806 -5.874 1.00 0.00 C ATOM 1133 CG ASP A 75 -9.662 -1.904 -6.454 1.00 0.00 C ATOM 1134 OD1 ASP A 75 -10.395 -0.934 -6.348 1.00 0.00 O ATOM 1135 OD2 ASP A 75 -9.988 -2.948 -6.995 1.00 0.00 O ATOM 0 H ASP A 75 -7.534 -2.917 -7.984 1.00 0.00 H new ATOM 0 HA ASP A 75 -7.774 -0.193 -7.215 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -7.879 -2.801 -5.630 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -8.269 -1.235 -4.946 1.00 0.00 H new ATOM 1140 N GLU A 76 -5.165 -1.919 -6.093 1.00 0.00 N ATOM 1141 CA GLU A 76 -3.830 -1.803 -5.498 1.00 0.00 C ATOM 1142 C GLU A 76 -2.870 -1.090 -6.462 1.00 0.00 C ATOM 1143 O GLU A 76 -1.876 -0.496 -6.040 1.00 0.00 O ATOM 1144 CB GLU A 76 -3.265 -3.194 -5.168 1.00 0.00 C ATOM 1145 CG GLU A 76 -4.256 -3.962 -4.280 1.00 0.00 C ATOM 1146 CD GLU A 76 -3.747 -5.385 -4.034 1.00 0.00 C ATOM 1147 OE1 GLU A 76 -3.429 -6.062 -4.999 1.00 0.00 O ATOM 1148 OE2 GLU A 76 -3.690 -5.779 -2.881 1.00 0.00 O ATOM 0 H GLU A 76 -5.415 -2.864 -6.385 1.00 0.00 H new ATOM 0 HA GLU A 76 -3.922 -1.221 -4.581 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -3.081 -3.749 -6.088 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -2.307 -3.096 -4.658 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -4.383 -3.443 -3.330 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -5.235 -3.995 -4.758 1.00 0.00 H new ATOM 1155 N PHE A 77 -3.183 -1.164 -7.763 1.00 0.00 N ATOM 1156 CA PHE A 77 -2.359 -0.538 -8.799 1.00 0.00 C ATOM 1157 C PHE A 77 -2.460 0.986 -8.725 1.00 0.00 C ATOM 1158 O PHE A 77 -1.451 1.681 -8.596 1.00 0.00 O ATOM 1159 CB PHE A 77 -2.829 -1.004 -10.186 1.00 0.00 C ATOM 1160 CG PHE A 77 -1.675 -1.104 -11.161 1.00 0.00 C ATOM 1161 CD1 PHE A 77 -0.343 -1.188 -10.717 1.00 0.00 C ATOM 1162 CD2 PHE A 77 -1.953 -1.125 -12.530 1.00 0.00 C ATOM 1163 CE1 PHE A 77 0.696 -1.286 -11.646 1.00 0.00 C ATOM 1164 CE2 PHE A 77 -0.913 -1.225 -13.456 1.00 0.00 C ATOM 1165 CZ PHE A 77 0.412 -1.305 -13.016 1.00 0.00 C ATOM 0 H PHE A 77 -4.004 -1.653 -8.121 1.00 0.00 H new ATOM 0 HA PHE A 77 -1.322 -0.833 -8.636 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -3.317 -1.975 -10.098 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -3.573 -0.307 -10.572 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -0.124 -1.177 -9.660 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -2.975 -1.064 -12.873 1.00 0.00 H new ATOM 0 HE1 PHE A 77 1.719 -1.347 -11.306 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -1.132 -1.241 -14.513 1.00 0.00 H new ATOM 0 HZ PHE A 77 1.216 -1.381 -13.733 1.00 0.00 H new ATOM 1175 N LEU A 78 -3.696 1.494 -8.811 1.00 0.00 N ATOM 1176 CA LEU A 78 -3.939 2.939 -8.757 1.00 0.00 C ATOM 1177 C LEU A 78 -3.561 3.504 -7.384 1.00 0.00 C ATOM 1178 O LEU A 78 -3.091 4.638 -7.280 1.00 0.00 O ATOM 1179 CB LEU A 78 -5.412 3.249 -9.050 1.00 0.00 C ATOM 1180 CG LEU A 78 -5.756 3.473 -10.532 1.00 0.00 C ATOM 1181 CD1 LEU A 78 -4.991 2.476 -11.406 1.00 0.00 C ATOM 1182 CD2 LEU A 78 -7.260 3.282 -10.739 1.00 0.00 C ATOM 0 H LEU A 78 -4.538 0.929 -8.918 1.00 0.00 H new ATOM 0 HA LEU A 78 -3.316 3.410 -9.517 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -6.021 2.427 -8.673 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -5.697 4.139 -8.490 1.00 0.00 H new ATOM 0 HG LEU A 78 -5.471 4.486 -10.815 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -5.242 2.643 -12.453 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -3.919 2.614 -11.263 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -5.266 1.460 -11.125 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -7.506 3.440 -11.789 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -7.541 2.270 -10.449 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -7.806 4.000 -10.126 1.00 0.00 H new ATOM 1194 N VAL A 79 -3.752 2.693 -6.335 1.00 0.00 N ATOM 1195 CA VAL A 79 -3.405 3.119 -4.976 1.00 0.00 C ATOM 1196 C VAL A 79 -1.896 3.371 -4.892 1.00 0.00 C ATOM 1197 O VAL A 79 -1.455 4.410 -4.404 1.00 0.00 O ATOM 1198 CB VAL A 79 -3.823 2.043 -3.955 1.00 0.00 C ATOM 1199 CG1 VAL A 79 -2.891 2.065 -2.741 1.00 0.00 C ATOM 1200 CG2 VAL A 79 -5.258 2.312 -3.494 1.00 0.00 C ATOM 0 H VAL A 79 -4.139 1.752 -6.400 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.938 4.040 -4.742 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.760 1.064 -4.431 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -3.201 1.299 -2.030 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -1.869 1.868 -3.064 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -2.939 3.044 -2.263 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -5.557 1.552 -2.772 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -5.312 3.296 -3.029 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -5.928 2.279 -4.353 1.00 0.00 H new ATOM 1210 N MET A 80 -1.118 2.400 -5.382 1.00 0.00 N ATOM 1211 CA MET A 80 0.347 2.499 -5.381 1.00 0.00 C ATOM 1212 C MET A 80 0.827 3.831 -5.980 1.00 0.00 C ATOM 1213 O MET A 80 1.897 4.325 -5.621 1.00 0.00 O ATOM 1214 CB MET A 80 0.955 1.351 -6.196 1.00 0.00 C ATOM 1215 CG MET A 80 2.048 0.659 -5.377 1.00 0.00 C ATOM 1216 SD MET A 80 2.967 -0.485 -6.440 1.00 0.00 S ATOM 1217 CE MET A 80 1.596 -1.607 -6.813 1.00 0.00 C ATOM 0 H MET A 80 -1.478 1.535 -5.785 1.00 0.00 H new ATOM 0 HA MET A 80 0.673 2.442 -4.342 1.00 0.00 H new ATOM 0 HB2 MET A 80 0.180 0.634 -6.466 1.00 0.00 H new ATOM 0 HB3 MET A 80 1.372 1.734 -7.127 1.00 0.00 H new ATOM 0 HG2 MET A 80 2.724 1.401 -4.953 1.00 0.00 H new ATOM 0 HG3 MET A 80 1.604 0.118 -4.541 1.00 0.00 H new ATOM 0 HE1 MET A 80 1.947 -2.638 -6.770 1.00 0.00 H new ATOM 0 HE2 MET A 80 0.800 -1.464 -6.082 1.00 0.00 H new ATOM 0 HE3 MET A 80 1.214 -1.395 -7.812 1.00 0.00 H new ATOM 1227 N MET A 81 0.025 4.409 -6.890 1.00 0.00 N ATOM 1228 CA MET A 81 0.383 5.684 -7.522 1.00 0.00 C ATOM 1229 C MET A 81 0.515 6.775 -6.460 1.00 0.00 C ATOM 1230 O MET A 81 1.563 7.410 -6.330 1.00 0.00 O ATOM 1231 CB MET A 81 -0.689 6.100 -8.538 1.00 0.00 C ATOM 1232 CG MET A 81 -0.190 7.290 -9.365 1.00 0.00 C ATOM 1233 SD MET A 81 -1.591 8.345 -9.814 1.00 0.00 S ATOM 1234 CE MET A 81 -2.494 7.128 -10.807 1.00 0.00 C ATOM 0 H MET A 81 -0.864 4.017 -7.200 1.00 0.00 H new ATOM 0 HA MET A 81 1.335 5.555 -8.037 1.00 0.00 H new ATOM 0 HB2 MET A 81 -0.924 5.263 -9.195 1.00 0.00 H new ATOM 0 HB3 MET A 81 -1.610 6.367 -8.019 1.00 0.00 H new ATOM 0 HG2 MET A 81 0.541 7.862 -8.794 1.00 0.00 H new ATOM 0 HG3 MET A 81 0.314 6.936 -10.264 1.00 0.00 H new ATOM 0 HE1 MET A 81 -3.505 7.490 -10.996 1.00 0.00 H new ATOM 0 HE2 MET A 81 -1.979 6.978 -11.756 1.00 0.00 H new ATOM 0 HE3 MET A 81 -2.543 6.182 -10.267 1.00 0.00 H new ATOM 1244 N VAL A 82 -0.563 6.973 -5.697 1.00 0.00 N ATOM 1245 CA VAL A 82 -0.570 7.979 -4.631 1.00 0.00 C ATOM 1246 C VAL A 82 0.347 7.549 -3.482 1.00 0.00 C ATOM 1247 O VAL A 82 0.939 8.390 -2.807 1.00 0.00 O ATOM 1248 CB VAL A 82 -1.990 8.201 -4.091 1.00 0.00 C ATOM 1249 CG1 VAL A 82 -2.864 8.812 -5.189 1.00 0.00 C ATOM 1250 CG2 VAL A 82 -2.596 6.865 -3.645 1.00 0.00 C ATOM 0 H VAL A 82 -1.436 6.455 -5.796 1.00 0.00 H new ATOM 0 HA VAL A 82 -0.205 8.914 -5.057 1.00 0.00 H new ATOM 0 HB VAL A 82 -1.945 8.877 -3.237 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -3.872 8.970 -4.806 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -2.441 9.767 -5.502 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.902 8.135 -6.043 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.603 7.032 -3.263 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -2.638 6.183 -4.494 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -1.978 6.429 -2.860 1.00 0.00 H new ATOM 1260 N ARG A 83 0.464 6.228 -3.280 1.00 0.00 N ATOM 1261 CA ARG A 83 1.325 5.690 -2.221 1.00 0.00 C ATOM 1262 C ARG A 83 2.770 6.146 -2.435 1.00 0.00 C ATOM 1263 O ARG A 83 3.478 6.467 -1.478 1.00 0.00 O ATOM 1264 CB ARG A 83 1.286 4.156 -2.213 1.00 0.00 C ATOM 1265 CG ARG A 83 -0.095 3.670 -1.759 1.00 0.00 C ATOM 1266 CD ARG A 83 -0.231 3.839 -0.243 1.00 0.00 C ATOM 1267 NE ARG A 83 0.331 2.686 0.464 1.00 0.00 N ATOM 1268 CZ ARG A 83 0.533 2.703 1.788 1.00 0.00 C ATOM 1269 NH1 ARG A 83 0.229 3.763 2.500 1.00 0.00 N ATOM 1270 NH2 ARG A 83 1.039 1.651 2.379 1.00 0.00 N ATOM 0 H ARG A 83 -0.022 5.520 -3.831 1.00 0.00 H new ATOM 0 HA ARG A 83 0.955 6.063 -1.266 1.00 0.00 H new ATOM 0 HB2 ARG A 83 1.506 3.773 -3.210 1.00 0.00 H new ATOM 0 HB3 ARG A 83 2.055 3.768 -1.545 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -0.875 4.235 -2.269 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -0.230 2.623 -2.031 1.00 0.00 H new ATOM 0 HD2 ARG A 83 0.280 4.749 0.073 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -1.282 3.956 0.021 1.00 0.00 H new ATOM 0 HE ARG A 83 0.575 1.849 -0.065 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -0.166 4.586 2.046 1.00 0.00 H new ATOM 0 HH12 ARG A 83 0.388 3.763 3.508 1.00 0.00 H new ATOM 0 HH21 ARG A 83 1.277 0.824 1.832 1.00 0.00 H new ATOM 0 HH22 ARG A 83 1.195 1.658 3.387 1.00 0.00 H new