USER MOD reduce.3.24.130724 H: found=0, std=0, add=428, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 431 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 62 THR OG1 : rot -38:sc= -1.84! USER MOD Set 1.2: A 65 GLN : amide:sc= -10.7! C(o=-12!,f=-0.95!) USER MOD Single : A 6 GLN : amide:sc= -0.295 X(o=-0.3,f=-0.0064) USER MOD Single : A 7 GLN : amide:sc= -0.228 X(o=-0.23,f=-0.032) USER MOD Single : A 8 GLN : amide:sc= -1.67 K(o=-1.7,f=-0.29) USER MOD Single : A 13 GLN : amide:sc= -2.96! K(o=-3!,f=0.13) USER MOD Single : A 26 GLN : amide:sc= -0.875 X(o=-0.88,f=-0.8) USER MOD Single : A 27 SER OG : rot 180:sc= -1.53 USER MOD Single : A 33 SER OG : rot 180:sc= -0.0852 USER MOD Single : A 37 GLN : amide:sc= -2.94! C(o=-2.9!,f=-6.7!) USER MOD Single : A 45 SER OG : rot 80:sc= 0.055 USER MOD Single : A 48 SER OG : rot -76:sc= 1.2 USER MOD Single : A 66 MET CE :methyl -169:sc= -0.0015 (180deg=-0.216) USER MOD Single : A 68 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0486) USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot -45:sc= 0.607 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 6 2.411 -10.672 12.675 1.00 0.00 N ATOM 2 CA GLN A 6 1.474 -9.578 12.901 1.00 0.00 C ATOM 3 C GLN A 6 2.206 -8.342 13.411 1.00 0.00 C ATOM 4 O GLN A 6 1.777 -7.213 13.175 1.00 0.00 O ATOM 5 CB GLN A 6 0.412 -10.000 13.917 1.00 0.00 C ATOM 6 CG GLN A 6 -0.746 -9.001 13.891 1.00 0.00 C ATOM 7 CD GLN A 6 -1.679 -9.254 15.070 1.00 0.00 C ATOM 8 OE1 GLN A 6 -2.893 -9.356 14.892 1.00 0.00 O ATOM 9 NE2 GLN A 6 -1.183 -9.363 16.272 1.00 0.00 N ATOM 0 HA GLN A 6 0.993 -9.336 11.953 1.00 0.00 H new ATOM 0 HB2 GLN A 6 0.048 -11.001 13.684 1.00 0.00 H new ATOM 0 HB3 GLN A 6 0.846 -10.043 14.916 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -0.360 -7.983 13.934 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -1.296 -9.094 12.955 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -0.177 -9.278 16.418 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -1.801 -9.533 17.065 1.00 0.00 H new ATOM 18 N GLN A 7 3.314 -8.563 14.112 1.00 0.00 N ATOM 19 CA GLN A 7 4.097 -7.459 14.651 1.00 0.00 C ATOM 20 C GLN A 7 4.388 -6.428 13.565 1.00 0.00 C ATOM 21 O GLN A 7 4.000 -5.266 13.679 1.00 0.00 O ATOM 22 CB GLN A 7 5.415 -7.985 15.225 1.00 0.00 C ATOM 23 CG GLN A 7 5.126 -8.937 16.391 1.00 0.00 C ATOM 24 CD GLN A 7 6.358 -9.060 17.281 1.00 0.00 C ATOM 25 OE1 GLN A 7 6.818 -10.168 17.557 1.00 0.00 O ATOM 26 NE2 GLN A 7 6.924 -7.981 17.747 1.00 0.00 N ATOM 0 H GLN A 7 3.687 -9.490 14.318 1.00 0.00 H new ATOM 0 HA GLN A 7 3.520 -6.982 15.444 1.00 0.00 H new ATOM 0 HB2 GLN A 7 5.979 -8.504 14.450 1.00 0.00 H new ATOM 0 HB3 GLN A 7 6.032 -7.154 15.566 1.00 0.00 H new ATOM 0 HG2 GLN A 7 4.282 -8.567 16.973 1.00 0.00 H new ATOM 0 HG3 GLN A 7 4.844 -9.918 16.009 1.00 0.00 H new ATOM 0 HE21 GLN A 7 6.541 -7.064 17.517 1.00 0.00 H new ATOM 0 HE22 GLN A 7 7.750 -8.054 18.341 1.00 0.00 H new ATOM 35 N GLN A 8 5.074 -6.860 12.513 1.00 0.00 N ATOM 36 CA GLN A 8 5.410 -5.962 11.414 1.00 0.00 C ATOM 37 C GLN A 8 4.176 -5.192 10.952 1.00 0.00 C ATOM 38 O GLN A 8 4.272 -4.030 10.557 1.00 0.00 O ATOM 39 CB GLN A 8 5.982 -6.764 10.243 1.00 0.00 C ATOM 40 CG GLN A 8 6.658 -5.812 9.254 1.00 0.00 C ATOM 41 CD GLN A 8 7.984 -5.323 9.826 1.00 0.00 C ATOM 42 OE1 GLN A 8 9.029 -5.927 9.579 1.00 0.00 O ATOM 43 NE2 GLN A 8 8.007 -4.258 10.579 1.00 0.00 N ATOM 0 H GLN A 8 5.406 -7.818 12.398 1.00 0.00 H new ATOM 0 HA GLN A 8 6.156 -5.250 11.767 1.00 0.00 H new ATOM 0 HB2 GLN A 8 6.701 -7.497 10.608 1.00 0.00 H new ATOM 0 HB3 GLN A 8 5.186 -7.318 9.745 1.00 0.00 H new ATOM 0 HG2 GLN A 8 6.827 -6.320 8.305 1.00 0.00 H new ATOM 0 HG3 GLN A 8 6.005 -4.963 9.049 1.00 0.00 H new ATOM 0 HE21 GLN A 8 7.141 -3.759 10.783 1.00 0.00 H new ATOM 0 HE22 GLN A 8 8.891 -3.925 10.964 1.00 0.00 H new ATOM 52 N ALA A 9 3.021 -5.848 11.003 1.00 0.00 N ATOM 53 CA ALA A 9 1.775 -5.214 10.584 1.00 0.00 C ATOM 54 C ALA A 9 1.415 -4.061 11.515 1.00 0.00 C ATOM 55 O ALA A 9 1.423 -2.899 11.109 1.00 0.00 O ATOM 56 CB ALA A 9 0.643 -6.243 10.577 1.00 0.00 C ATOM 0 H ALA A 9 2.921 -6.810 11.327 1.00 0.00 H new ATOM 0 HA ALA A 9 1.913 -4.818 9.578 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -0.284 -5.762 10.263 1.00 0.00 H new ATOM 0 HB2 ALA A 9 0.887 -7.048 9.884 1.00 0.00 H new ATOM 0 HB3 ALA A 9 0.518 -6.653 11.579 1.00 0.00 H new ATOM 62 N VAL A 10 1.093 -4.389 12.763 1.00 0.00 N ATOM 63 CA VAL A 10 0.728 -3.367 13.737 1.00 0.00 C ATOM 64 C VAL A 10 1.864 -2.365 13.921 1.00 0.00 C ATOM 65 O VAL A 10 1.637 -1.155 13.945 1.00 0.00 O ATOM 66 CB VAL A 10 0.390 -4.016 15.081 1.00 0.00 C ATOM 67 CG1 VAL A 10 1.572 -4.860 15.558 1.00 0.00 C ATOM 68 CG2 VAL A 10 0.095 -2.925 16.114 1.00 0.00 C ATOM 0 H VAL A 10 1.077 -5.344 13.120 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.148 -2.837 13.363 1.00 0.00 H new ATOM 0 HB VAL A 10 -0.485 -4.655 14.963 1.00 0.00 H new ATOM 0 HG11 VAL A 10 1.328 -5.320 16.515 1.00 0.00 H new ATOM 0 HG12 VAL A 10 1.783 -5.638 14.824 1.00 0.00 H new ATOM 0 HG13 VAL A 10 2.449 -4.224 15.675 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.146 -3.386 17.072 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.971 -2.286 16.229 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.750 -2.325 15.778 1.00 0.00 H new ATOM 78 N LEU A 11 3.086 -2.872 14.046 1.00 0.00 N ATOM 79 CA LEU A 11 4.244 -2.003 14.224 1.00 0.00 C ATOM 80 C LEU A 11 4.296 -0.955 13.117 1.00 0.00 C ATOM 81 O LEU A 11 4.358 0.244 13.387 1.00 0.00 O ATOM 82 CB LEU A 11 5.535 -2.830 14.204 1.00 0.00 C ATOM 83 CG LEU A 11 5.657 -3.653 15.493 1.00 0.00 C ATOM 84 CD1 LEU A 11 6.881 -4.567 15.389 1.00 0.00 C ATOM 85 CD2 LEU A 11 5.820 -2.720 16.703 1.00 0.00 C ATOM 0 H LEU A 11 3.299 -3.869 14.028 1.00 0.00 H new ATOM 0 HA LEU A 11 4.152 -1.502 15.187 1.00 0.00 H new ATOM 0 HB2 LEU A 11 5.537 -3.493 13.339 1.00 0.00 H new ATOM 0 HB3 LEU A 11 6.397 -2.170 14.102 1.00 0.00 H new ATOM 0 HG LEU A 11 4.755 -4.250 15.625 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.974 -5.155 16.302 1.00 0.00 H new ATOM 0 HD12 LEU A 11 6.764 -5.236 14.536 1.00 0.00 H new ATOM 0 HD13 LEU A 11 7.777 -3.961 15.255 1.00 0.00 H new ATOM 0 HD21 LEU A 11 5.906 -3.315 17.612 1.00 0.00 H new ATOM 0 HD22 LEU A 11 6.719 -2.116 16.578 1.00 0.00 H new ATOM 0 HD23 LEU A 11 4.951 -2.066 16.778 1.00 0.00 H new ATOM 97 N GLU A 12 4.273 -1.416 11.870 1.00 0.00 N ATOM 98 CA GLU A 12 4.318 -0.507 10.730 1.00 0.00 C ATOM 99 C GLU A 12 3.118 0.435 10.749 1.00 0.00 C ATOM 100 O GLU A 12 3.257 1.636 10.514 1.00 0.00 O ATOM 101 CB GLU A 12 4.324 -1.305 9.426 1.00 0.00 C ATOM 102 CG GLU A 12 5.688 -1.973 9.241 1.00 0.00 C ATOM 103 CD GLU A 12 6.725 -0.934 8.829 1.00 0.00 C ATOM 104 OE1 GLU A 12 6.744 -0.574 7.663 1.00 0.00 O ATOM 105 OE2 GLU A 12 7.485 -0.513 9.685 1.00 0.00 O ATOM 0 H GLU A 12 4.224 -2.405 11.625 1.00 0.00 H new ATOM 0 HA GLU A 12 5.231 0.085 10.796 1.00 0.00 H new ATOM 0 HB2 GLU A 12 3.538 -2.060 9.446 1.00 0.00 H new ATOM 0 HB3 GLU A 12 4.113 -0.646 8.584 1.00 0.00 H new ATOM 0 HG2 GLU A 12 5.994 -2.457 10.169 1.00 0.00 H new ATOM 0 HG3 GLU A 12 5.621 -2.753 8.482 1.00 0.00 H new ATOM 112 N GLN A 13 1.943 -0.118 11.028 1.00 0.00 N ATOM 113 CA GLN A 13 0.725 0.683 11.074 1.00 0.00 C ATOM 114 C GLN A 13 0.842 1.777 12.131 1.00 0.00 C ATOM 115 O GLN A 13 0.390 2.903 11.925 1.00 0.00 O ATOM 116 CB GLN A 13 -0.476 -0.209 11.391 1.00 0.00 C ATOM 117 CG GLN A 13 -1.770 0.563 11.127 1.00 0.00 C ATOM 118 CD GLN A 13 -1.965 0.756 9.627 1.00 0.00 C ATOM 119 OE1 GLN A 13 -2.079 -0.218 8.884 1.00 0.00 O ATOM 120 NE2 GLN A 13 -2.011 1.964 9.135 1.00 0.00 N ATOM 0 H GLN A 13 1.808 -1.110 11.224 1.00 0.00 H new ATOM 0 HA GLN A 13 0.583 1.149 10.099 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -0.446 -1.109 10.777 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -0.438 -0.531 12.432 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -2.618 0.021 11.546 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -1.733 1.532 11.625 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -1.916 2.770 9.753 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -2.142 2.102 8.133 1.00 0.00 H new ATOM 129 N GLU A 14 1.452 1.437 13.262 1.00 0.00 N ATOM 130 CA GLU A 14 1.623 2.399 14.344 1.00 0.00 C ATOM 131 C GLU A 14 2.568 3.519 13.920 1.00 0.00 C ATOM 132 O GLU A 14 2.270 4.699 14.105 1.00 0.00 O ATOM 133 CB GLU A 14 2.182 1.698 15.584 1.00 0.00 C ATOM 134 CG GLU A 14 1.081 0.862 16.238 1.00 0.00 C ATOM 135 CD GLU A 14 1.686 -0.077 17.277 1.00 0.00 C ATOM 136 OE1 GLU A 14 2.797 -0.532 17.059 1.00 0.00 O ATOM 137 OE2 GLU A 14 1.032 -0.326 18.275 1.00 0.00 O ATOM 0 H GLU A 14 1.833 0.510 13.452 1.00 0.00 H new ATOM 0 HA GLU A 14 0.650 2.830 14.579 1.00 0.00 H new ATOM 0 HB2 GLU A 14 3.021 1.060 15.307 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.562 2.435 16.291 1.00 0.00 H new ATOM 0 HG2 GLU A 14 0.348 1.516 16.710 1.00 0.00 H new ATOM 0 HG3 GLU A 14 0.552 0.286 15.479 1.00 0.00 H new ATOM 144 N ARG A 15 3.709 3.141 13.352 1.00 0.00 N ATOM 145 CA ARG A 15 4.690 4.123 12.906 1.00 0.00 C ATOM 146 C ARG A 15 4.054 5.109 11.932 1.00 0.00 C ATOM 147 O ARG A 15 4.086 6.321 12.151 1.00 0.00 O ATOM 148 CB ARG A 15 5.866 3.417 12.229 1.00 0.00 C ATOM 149 CG ARG A 15 6.711 2.705 13.288 1.00 0.00 C ATOM 150 CD ARG A 15 7.924 2.054 12.622 1.00 0.00 C ATOM 151 NE ARG A 15 8.619 1.193 13.573 1.00 0.00 N ATOM 152 CZ ARG A 15 9.905 0.895 13.420 1.00 0.00 C ATOM 153 NH1 ARG A 15 10.569 1.375 12.404 1.00 0.00 N ATOM 154 NH2 ARG A 15 10.503 0.123 14.285 1.00 0.00 N ATOM 0 H ARG A 15 3.975 2.170 13.191 1.00 0.00 H new ATOM 0 HA ARG A 15 5.050 4.671 13.776 1.00 0.00 H new ATOM 0 HB2 ARG A 15 5.500 2.698 11.497 1.00 0.00 H new ATOM 0 HB3 ARG A 15 6.476 4.140 11.688 1.00 0.00 H new ATOM 0 HG2 ARG A 15 7.038 3.417 14.046 1.00 0.00 H new ATOM 0 HG3 ARG A 15 6.113 1.949 13.797 1.00 0.00 H new ATOM 0 HD2 ARG A 15 7.604 1.471 11.758 1.00 0.00 H new ATOM 0 HD3 ARG A 15 8.602 2.823 12.254 1.00 0.00 H new ATOM 0 HE ARG A 15 8.108 0.813 14.370 1.00 0.00 H new ATOM 0 HH11 ARG A 15 10.101 1.979 11.728 1.00 0.00 H new ATOM 0 HH12 ARG A 15 11.556 1.147 12.286 1.00 0.00 H new ATOM 0 HH21 ARG A 15 9.983 -0.252 15.079 1.00 0.00 H new ATOM 0 HH22 ARG A 15 11.490 -0.106 14.168 1.00 0.00 H new ATOM 168 N ARG A 16 3.475 4.583 10.858 1.00 0.00 N ATOM 169 CA ARG A 16 2.834 5.428 9.858 1.00 0.00 C ATOM 170 C ARG A 16 1.737 6.273 10.498 1.00 0.00 C ATOM 171 O ARG A 16 1.758 7.502 10.414 1.00 0.00 O ATOM 172 CB ARG A 16 2.231 4.563 8.750 1.00 0.00 C ATOM 173 CG ARG A 16 1.522 5.456 7.731 1.00 0.00 C ATOM 174 CD ARG A 16 1.194 4.643 6.479 1.00 0.00 C ATOM 175 NE ARG A 16 0.215 3.606 6.791 1.00 0.00 N ATOM 176 CZ ARG A 16 0.074 2.539 6.014 1.00 0.00 C ATOM 177 NH1 ARG A 16 0.817 2.403 4.949 1.00 0.00 N ATOM 178 NH2 ARG A 16 -0.808 1.624 6.315 1.00 0.00 N ATOM 0 H ARG A 16 3.436 3.583 10.659 1.00 0.00 H new ATOM 0 HA ARG A 16 3.588 6.090 9.431 1.00 0.00 H new ATOM 0 HB2 ARG A 16 3.014 3.985 8.259 1.00 0.00 H new ATOM 0 HB3 ARG A 16 1.526 3.849 9.175 1.00 0.00 H new ATOM 0 HG2 ARG A 16 0.608 5.863 8.163 1.00 0.00 H new ATOM 0 HG3 ARG A 16 2.156 6.303 7.471 1.00 0.00 H new ATOM 0 HD2 ARG A 16 0.803 5.300 5.702 1.00 0.00 H new ATOM 0 HD3 ARG A 16 2.102 4.188 6.084 1.00 0.00 H new ATOM 0 HE ARG A 16 -0.371 3.703 7.620 1.00 0.00 H new ATOM 0 HH11 ARG A 16 1.506 3.117 4.714 1.00 0.00 H new ATOM 0 HH12 ARG A 16 0.708 1.583 4.352 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -1.388 1.729 7.147 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -0.916 0.804 5.718 1.00 0.00 H new ATOM 192 N ASP A 17 0.782 5.607 11.140 1.00 0.00 N ATOM 193 CA ASP A 17 -0.317 6.309 11.794 1.00 0.00 C ATOM 194 C ASP A 17 0.204 7.517 12.566 1.00 0.00 C ATOM 195 O ASP A 17 -0.370 8.604 12.499 1.00 0.00 O ATOM 196 CB ASP A 17 -1.045 5.364 12.751 1.00 0.00 C ATOM 197 CG ASP A 17 -2.272 6.056 13.335 1.00 0.00 C ATOM 198 OD1 ASP A 17 -3.303 6.040 12.683 1.00 0.00 O ATOM 199 OD2 ASP A 17 -2.163 6.591 14.426 1.00 0.00 O ATOM 0 H ASP A 17 0.746 4.591 11.221 1.00 0.00 H new ATOM 0 HA ASP A 17 -1.011 6.653 11.027 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -1.345 4.459 12.223 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -0.374 5.058 13.553 1.00 0.00 H new ATOM 204 N ARG A 18 1.297 7.318 13.293 1.00 0.00 N ATOM 205 CA ARG A 18 1.891 8.399 14.072 1.00 0.00 C ATOM 206 C ARG A 18 2.404 9.498 13.148 1.00 0.00 C ATOM 207 O ARG A 18 2.057 10.668 13.308 1.00 0.00 O ATOM 208 CB ARG A 18 3.048 7.858 14.919 1.00 0.00 C ATOM 209 CG ARG A 18 2.495 7.051 16.100 1.00 0.00 C ATOM 210 CD ARG A 18 2.246 7.978 17.293 1.00 0.00 C ATOM 211 NE ARG A 18 1.365 7.331 18.259 1.00 0.00 N ATOM 212 CZ ARG A 18 1.157 7.861 19.460 1.00 0.00 C ATOM 213 NH1 ARG A 18 1.747 8.975 19.794 1.00 0.00 N ATOM 214 NH2 ARG A 18 0.363 7.264 20.307 1.00 0.00 N ATOM 0 H ARG A 18 1.787 6.426 13.360 1.00 0.00 H new ATOM 0 HA ARG A 18 1.127 8.816 14.728 1.00 0.00 H new ATOM 0 HB2 ARG A 18 3.695 7.229 14.308 1.00 0.00 H new ATOM 0 HB3 ARG A 18 3.659 8.683 15.285 1.00 0.00 H new ATOM 0 HG2 ARG A 18 1.567 6.558 15.812 1.00 0.00 H new ATOM 0 HG3 ARG A 18 3.200 6.267 16.378 1.00 0.00 H new ATOM 0 HD2 ARG A 18 3.193 8.234 17.768 1.00 0.00 H new ATOM 0 HD3 ARG A 18 1.799 8.911 16.950 1.00 0.00 H new ATOM 0 HE ARG A 18 0.901 6.458 18.009 1.00 0.00 H new ATOM 0 HH11 ARG A 18 2.369 9.441 19.133 1.00 0.00 H new ATOM 0 HH12 ARG A 18 1.586 9.381 20.716 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -0.097 6.392 20.047 1.00 0.00 H new ATOM 0 HH22 ARG A 18 0.203 7.670 21.229 1.00 0.00 H new ATOM 228 N GLU A 19 3.230 9.113 12.181 1.00 0.00 N ATOM 229 CA GLU A 19 3.783 10.074 11.234 1.00 0.00 C ATOM 230 C GLU A 19 2.692 11.009 10.723 1.00 0.00 C ATOM 231 O GLU A 19 2.772 12.225 10.893 1.00 0.00 O ATOM 232 CB GLU A 19 4.421 9.336 10.054 1.00 0.00 C ATOM 233 CG GLU A 19 5.735 8.693 10.504 1.00 0.00 C ATOM 234 CD GLU A 19 6.347 7.900 9.354 1.00 0.00 C ATOM 235 OE1 GLU A 19 6.300 8.383 8.236 1.00 0.00 O ATOM 236 OE2 GLU A 19 6.853 6.820 9.609 1.00 0.00 O ATOM 0 H GLU A 19 3.530 8.149 12.033 1.00 0.00 H new ATOM 0 HA GLU A 19 4.543 10.665 11.745 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.740 8.572 9.678 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.606 10.030 9.234 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.431 9.463 10.837 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.555 8.036 11.355 1.00 0.00 H new ATOM 243 N LEU A 20 1.672 10.432 10.097 1.00 0.00 N ATOM 244 CA LEU A 20 0.568 11.224 9.567 1.00 0.00 C ATOM 245 C LEU A 20 -0.109 12.008 10.687 1.00 0.00 C ATOM 246 O LEU A 20 -0.055 13.237 10.715 1.00 0.00 O ATOM 247 CB LEU A 20 -0.454 10.307 8.888 1.00 0.00 C ATOM 248 CG LEU A 20 0.035 9.939 7.485 1.00 0.00 C ATOM 249 CD1 LEU A 20 1.449 9.361 7.571 1.00 0.00 C ATOM 250 CD2 LEU A 20 -0.905 8.897 6.876 1.00 0.00 C ATOM 0 H LEU A 20 1.586 9.427 9.945 1.00 0.00 H new ATOM 0 HA LEU A 20 0.964 11.927 8.834 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.598 9.404 9.482 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.421 10.806 8.827 1.00 0.00 H new ATOM 0 HG LEU A 20 0.046 10.831 6.859 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.796 9.099 6.572 1.00 0.00 H new ATOM 0 HD12 LEU A 20 2.119 10.103 8.006 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.440 8.469 8.197 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.558 8.634 5.877 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.915 8.005 7.503 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.913 9.308 6.814 1.00 0.00 H new ATOM 262 N ALA A 21 -0.745 11.288 11.608 1.00 0.00 N ATOM 263 CA ALA A 21 -1.430 11.926 12.728 1.00 0.00 C ATOM 264 C ALA A 21 -0.620 13.108 13.252 1.00 0.00 C ATOM 265 O ALA A 21 -1.179 14.130 13.650 1.00 0.00 O ATOM 266 CB ALA A 21 -1.646 10.913 13.853 1.00 0.00 C ATOM 0 H ALA A 21 -0.800 10.270 11.601 1.00 0.00 H new ATOM 0 HA ALA A 21 -2.395 12.291 12.378 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.158 11.397 14.685 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.253 10.085 13.486 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.682 10.534 14.191 1.00 0.00 H new ATOM 272 N LEU A 22 0.701 12.961 13.244 1.00 0.00 N ATOM 273 CA LEU A 22 1.580 14.024 13.716 1.00 0.00 C ATOM 274 C LEU A 22 1.534 15.209 12.759 1.00 0.00 C ATOM 275 O LEU A 22 1.320 16.348 13.175 1.00 0.00 O ATOM 276 CB LEU A 22 3.018 13.506 13.826 1.00 0.00 C ATOM 277 CG LEU A 22 3.874 14.508 14.613 1.00 0.00 C ATOM 278 CD1 LEU A 22 3.790 14.202 16.111 1.00 0.00 C ATOM 279 CD2 LEU A 22 5.332 14.402 14.159 1.00 0.00 C ATOM 0 H LEU A 22 1.183 12.123 12.919 1.00 0.00 H new ATOM 0 HA LEU A 22 1.239 14.348 14.699 1.00 0.00 H new ATOM 0 HB2 LEU A 22 3.028 12.536 14.324 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.438 13.358 12.831 1.00 0.00 H new ATOM 0 HG LEU A 22 3.502 15.516 14.428 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.400 14.917 16.663 1.00 0.00 H new ATOM 0 HD12 LEU A 22 2.754 14.278 16.440 1.00 0.00 H new ATOM 0 HD13 LEU A 22 4.156 13.192 16.297 1.00 0.00 H new ATOM 0 HD21 LEU A 22 5.940 15.114 14.718 1.00 0.00 H new ATOM 0 HD22 LEU A 22 5.697 13.391 14.341 1.00 0.00 H new ATOM 0 HD23 LEU A 22 5.399 14.626 13.094 1.00 0.00 H new ATOM 291 N ARG A 23 1.730 14.930 11.474 1.00 0.00 N ATOM 292 CA ARG A 23 1.701 15.979 10.465 1.00 0.00 C ATOM 293 C ARG A 23 0.353 16.690 10.486 1.00 0.00 C ATOM 294 O ARG A 23 0.279 17.900 10.706 1.00 0.00 O ATOM 295 CB ARG A 23 1.941 15.377 9.078 1.00 0.00 C ATOM 296 CG ARG A 23 3.429 15.067 8.904 1.00 0.00 C ATOM 297 CD ARG A 23 3.620 14.130 7.710 1.00 0.00 C ATOM 298 NE ARG A 23 2.732 14.516 6.620 1.00 0.00 N ATOM 299 CZ ARG A 23 2.564 13.732 5.560 1.00 0.00 C ATOM 300 NH1 ARG A 23 3.199 12.595 5.482 1.00 0.00 N ATOM 301 NH2 ARG A 23 1.763 14.099 4.596 1.00 0.00 N ATOM 0 H ARG A 23 1.909 13.994 11.111 1.00 0.00 H new ATOM 0 HA ARG A 23 2.489 16.699 10.687 1.00 0.00 H new ATOM 0 HB2 ARG A 23 1.353 14.467 8.959 1.00 0.00 H new ATOM 0 HB3 ARG A 23 1.611 16.073 8.306 1.00 0.00 H new ATOM 0 HG2 ARG A 23 3.988 15.990 8.748 1.00 0.00 H new ATOM 0 HG3 ARG A 23 3.823 14.605 9.809 1.00 0.00 H new ATOM 0 HD2 ARG A 23 4.656 14.164 7.374 1.00 0.00 H new ATOM 0 HD3 ARG A 23 3.415 13.102 8.009 1.00 0.00 H new ATOM 0 HE ARG A 23 2.231 15.403 6.672 1.00 0.00 H new ATOM 0 HH11 ARG A 23 3.825 12.308 6.235 1.00 0.00 H new ATOM 0 HH12 ARG A 23 3.070 11.994 4.668 1.00 0.00 H new ATOM 0 HH21 ARG A 23 1.266 14.988 4.656 1.00 0.00 H new ATOM 0 HH22 ARG A 23 1.634 13.497 3.783 1.00 0.00 H new ATOM 315 N ILE A 24 -0.712 15.928 10.265 1.00 0.00 N ATOM 316 CA ILE A 24 -2.052 16.498 10.269 1.00 0.00 C ATOM 317 C ILE A 24 -2.250 17.348 11.518 1.00 0.00 C ATOM 318 O ILE A 24 -2.592 18.526 11.431 1.00 0.00 O ATOM 319 CB ILE A 24 -3.098 15.383 10.232 1.00 0.00 C ATOM 320 CG1 ILE A 24 -2.752 14.398 9.112 1.00 0.00 C ATOM 321 CG2 ILE A 24 -4.479 15.988 9.968 1.00 0.00 C ATOM 322 CD1 ILE A 24 -3.879 13.375 8.961 1.00 0.00 C ATOM 0 H ILE A 24 -0.674 14.925 10.083 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.170 17.125 9.385 1.00 0.00 H new ATOM 0 HB ILE A 24 -3.106 14.860 11.188 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -2.606 14.935 8.174 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -1.814 13.890 9.338 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -5.225 15.194 9.941 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.726 16.692 10.763 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.471 16.510 9.011 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.631 12.675 8.163 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -4.003 12.830 9.897 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -4.808 13.890 8.715 1.00 0.00 H new ATOM 334 N ALA A 25 -2.021 16.743 12.679 1.00 0.00 N ATOM 335 CA ALA A 25 -2.169 17.460 13.941 1.00 0.00 C ATOM 336 C ALA A 25 -1.509 18.829 13.849 1.00 0.00 C ATOM 337 O ALA A 25 -2.121 19.850 14.168 1.00 0.00 O ATOM 338 CB ALA A 25 -1.532 16.657 15.077 1.00 0.00 C ATOM 0 H ALA A 25 -1.735 15.768 12.773 1.00 0.00 H new ATOM 0 HA ALA A 25 -3.232 17.591 14.145 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -1.647 17.200 16.015 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -2.023 15.687 15.156 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -0.472 16.512 14.870 1.00 0.00 H new ATOM 344 N GLN A 26 -0.257 18.844 13.403 1.00 0.00 N ATOM 345 CA GLN A 26 0.478 20.093 13.263 1.00 0.00 C ATOM 346 C GLN A 26 -0.135 20.950 12.161 1.00 0.00 C ATOM 347 O GLN A 26 0.059 22.165 12.125 1.00 0.00 O ATOM 348 CB GLN A 26 1.944 19.802 12.935 1.00 0.00 C ATOM 349 CG GLN A 26 2.660 19.300 14.190 1.00 0.00 C ATOM 350 CD GLN A 26 3.994 18.665 13.813 1.00 0.00 C ATOM 351 OE1 GLN A 26 4.604 19.049 12.814 1.00 0.00 O ATOM 352 NE2 GLN A 26 4.485 17.712 14.555 1.00 0.00 N ATOM 0 H GLN A 26 0.266 18.010 13.134 1.00 0.00 H new ATOM 0 HA GLN A 26 0.421 20.638 14.205 1.00 0.00 H new ATOM 0 HB2 GLN A 26 2.009 19.055 12.144 1.00 0.00 H new ATOM 0 HB3 GLN A 26 2.430 20.704 12.563 1.00 0.00 H new ATOM 0 HG2 GLN A 26 2.824 20.128 14.880 1.00 0.00 H new ATOM 0 HG3 GLN A 26 2.035 18.572 14.708 1.00 0.00 H new ATOM 0 HE21 GLN A 26 3.977 17.396 15.382 1.00 0.00 H new ATOM 0 HE22 GLN A 26 5.377 17.282 14.309 1.00 0.00 H new ATOM 361 N SER A 27 -0.882 20.308 11.266 1.00 0.00 N ATOM 362 CA SER A 27 -1.522 21.025 10.170 1.00 0.00 C ATOM 363 C SER A 27 -2.749 21.773 10.677 1.00 0.00 C ATOM 364 O SER A 27 -2.911 22.966 10.423 1.00 0.00 O ATOM 365 CB SER A 27 -1.933 20.045 9.069 1.00 0.00 C ATOM 366 OG SER A 27 -2.123 20.758 7.854 1.00 0.00 O ATOM 0 H SER A 27 -1.057 19.303 11.278 1.00 0.00 H new ATOM 0 HA SER A 27 -0.811 21.743 9.761 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.166 19.282 8.940 1.00 0.00 H new ATOM 0 HB3 SER A 27 -2.852 19.529 9.349 1.00 0.00 H new ATOM 0 HG SER A 27 -2.385 20.133 7.146 1.00 0.00 H new ATOM 372 N GLU A 28 -3.607 21.065 11.404 1.00 0.00 N ATOM 373 CA GLU A 28 -4.811 21.675 11.951 1.00 0.00 C ATOM 374 C GLU A 28 -4.436 22.728 12.986 1.00 0.00 C ATOM 375 O GLU A 28 -5.101 23.756 13.113 1.00 0.00 O ATOM 376 CB GLU A 28 -5.696 20.607 12.605 1.00 0.00 C ATOM 377 CG GLU A 28 -5.492 19.262 11.902 1.00 0.00 C ATOM 378 CD GLU A 28 -6.749 18.405 12.030 1.00 0.00 C ATOM 379 OE1 GLU A 28 -7.790 18.843 11.567 1.00 0.00 O ATOM 380 OE2 GLU A 28 -6.651 17.325 12.587 1.00 0.00 O ATOM 0 H GLU A 28 -3.492 20.076 11.626 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.363 22.147 11.138 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.450 20.516 13.663 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.743 20.903 12.546 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -5.260 19.425 10.850 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -4.641 18.740 12.339 1.00 0.00 H new ATOM 387 N ALA A 29 -3.366 22.458 13.725 1.00 0.00 N ATOM 388 CA ALA A 29 -2.908 23.384 14.751 1.00 0.00 C ATOM 389 C ALA A 29 -2.293 24.626 14.114 1.00 0.00 C ATOM 390 O ALA A 29 -2.561 25.750 14.538 1.00 0.00 O ATOM 391 CB ALA A 29 -1.873 22.701 15.646 1.00 0.00 C ATOM 0 H ALA A 29 -2.804 21.612 13.633 1.00 0.00 H new ATOM 0 HA ALA A 29 -3.766 23.685 15.353 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -1.535 23.400 16.411 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -2.323 21.830 16.123 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -1.022 22.385 15.042 1.00 0.00 H new ATOM 397 N GLU A 30 -1.465 24.415 13.094 1.00 0.00 N ATOM 398 CA GLU A 30 -0.815 25.526 12.408 1.00 0.00 C ATOM 399 C GLU A 30 -1.760 26.155 11.387 1.00 0.00 C ATOM 400 O GLU A 30 -1.626 27.330 11.045 1.00 0.00 O ATOM 401 CB GLU A 30 0.447 25.031 11.699 1.00 0.00 C ATOM 402 CG GLU A 30 1.447 24.517 12.736 1.00 0.00 C ATOM 403 CD GLU A 30 2.105 25.690 13.454 1.00 0.00 C ATOM 404 OE1 GLU A 30 1.763 26.819 13.139 1.00 0.00 O ATOM 405 OE2 GLU A 30 2.939 25.444 14.309 1.00 0.00 O ATOM 0 H GLU A 30 -1.230 23.493 12.727 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.547 26.279 13.149 1.00 0.00 H new ATOM 0 HB2 GLU A 30 0.194 24.236 10.997 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.892 25.840 11.119 1.00 0.00 H new ATOM 0 HG2 GLU A 30 0.938 23.878 13.458 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.207 23.906 12.249 1.00 0.00 H new ATOM 412 N LEU A 31 -2.717 25.368 10.910 1.00 0.00 N ATOM 413 CA LEU A 31 -3.682 25.859 9.933 1.00 0.00 C ATOM 414 C LEU A 31 -2.964 26.504 8.747 1.00 0.00 C ATOM 415 O LEU A 31 -3.530 27.345 8.047 1.00 0.00 O ATOM 416 CB LEU A 31 -4.619 26.878 10.600 1.00 0.00 C ATOM 417 CG LEU A 31 -5.931 26.194 11.012 1.00 0.00 C ATOM 418 CD1 LEU A 31 -6.597 26.996 12.133 1.00 0.00 C ATOM 419 CD2 LEU A 31 -6.876 26.126 9.808 1.00 0.00 C ATOM 0 H LEU A 31 -2.846 24.393 11.181 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.268 25.018 9.564 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.135 27.311 11.475 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.827 27.698 9.912 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.715 25.185 11.363 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -7.528 26.510 12.425 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.928 27.045 12.992 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.810 28.006 11.781 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -7.806 25.640 10.103 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -7.089 27.135 9.455 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.406 25.554 9.008 1.00 0.00 H new ATOM 450 N SER A 33 -1.677 24.623 6.283 1.00 0.00 N ATOM 451 CA SER A 33 -1.992 23.787 5.129 1.00 0.00 C ATOM 452 C SER A 33 -3.348 24.163 4.546 1.00 0.00 C ATOM 453 O SER A 33 -4.149 23.294 4.202 1.00 0.00 O ATOM 454 CB SER A 33 -2.002 22.315 5.539 1.00 0.00 C ATOM 455 OG SER A 33 -1.911 21.504 4.374 1.00 0.00 O ATOM 0 HA SER A 33 -1.227 23.948 4.369 1.00 0.00 H new ATOM 0 HB2 SER A 33 -1.167 22.106 6.208 1.00 0.00 H new ATOM 0 HB3 SER A 33 -2.916 22.084 6.087 1.00 0.00 H new ATOM 0 HG SER A 33 -1.916 20.559 4.632 1.00 0.00 H new ATOM 461 N ASP A 34 -3.600 25.463 4.427 1.00 0.00 N ATOM 462 CA ASP A 34 -4.864 25.934 3.876 1.00 0.00 C ATOM 463 C ASP A 34 -5.156 25.226 2.559 1.00 0.00 C ATOM 464 O ASP A 34 -6.282 25.252 2.061 1.00 0.00 O ATOM 465 CB ASP A 34 -4.805 27.446 3.646 1.00 0.00 C ATOM 466 CG ASP A 34 -6.195 27.978 3.313 1.00 0.00 C ATOM 467 OD1 ASP A 34 -6.691 27.656 2.246 1.00 0.00 O ATOM 468 OD2 ASP A 34 -6.743 28.698 4.131 1.00 0.00 O ATOM 0 H ASP A 34 -2.952 26.202 4.702 1.00 0.00 H new ATOM 0 HA ASP A 34 -5.661 25.711 4.586 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -4.420 27.943 4.537 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -4.116 27.672 2.832 1.00 0.00 H new ATOM 473 N GLU A 35 -4.129 24.590 2.003 1.00 0.00 N ATOM 474 CA GLU A 35 -4.276 23.871 0.744 1.00 0.00 C ATOM 475 C GLU A 35 -5.242 22.704 0.907 1.00 0.00 C ATOM 476 O GLU A 35 -5.921 22.309 -0.040 1.00 0.00 O ATOM 477 CB GLU A 35 -2.911 23.353 0.282 1.00 0.00 C ATOM 478 CG GLU A 35 -2.432 22.237 1.219 1.00 0.00 C ATOM 479 CD GLU A 35 -3.033 20.900 0.796 1.00 0.00 C ATOM 480 OE1 GLU A 35 -2.865 20.536 -0.356 1.00 0.00 O ATOM 481 OE2 GLU A 35 -3.654 20.261 1.629 1.00 0.00 O ATOM 0 H GLU A 35 -3.191 24.558 2.403 1.00 0.00 H new ATOM 0 HA GLU A 35 -4.677 24.554 -0.005 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -2.981 22.978 -0.739 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -2.187 24.168 0.273 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -1.344 22.177 1.199 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -2.720 22.465 2.245 1.00 0.00 H new ATOM 488 N ALA A 36 -5.300 22.157 2.118 1.00 0.00 N ATOM 489 CA ALA A 36 -6.189 21.037 2.398 1.00 0.00 C ATOM 490 C ALA A 36 -7.644 21.489 2.343 1.00 0.00 C ATOM 491 O ALA A 36 -8.484 20.838 1.720 1.00 0.00 O ATOM 492 CB ALA A 36 -5.881 20.460 3.780 1.00 0.00 C ATOM 0 H ALA A 36 -4.746 22.469 2.915 1.00 0.00 H new ATOM 0 HA ALA A 36 -6.029 20.268 1.642 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.550 19.623 3.982 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -4.848 20.114 3.808 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -6.026 21.231 4.537 1.00 0.00 H new ATOM 498 N GLN A 37 -7.933 22.609 2.995 1.00 0.00 N ATOM 499 CA GLN A 37 -9.288 23.144 3.014 1.00 0.00 C ATOM 500 C GLN A 37 -9.722 23.538 1.605 1.00 0.00 C ATOM 501 O GLN A 37 -10.776 23.115 1.129 1.00 0.00 O ATOM 502 CB GLN A 37 -9.355 24.367 3.931 1.00 0.00 C ATOM 503 CG GLN A 37 -9.218 23.921 5.388 1.00 0.00 C ATOM 504 CD GLN A 37 -7.892 23.198 5.593 1.00 0.00 C ATOM 505 OE1 GLN A 37 -6.833 23.741 5.279 1.00 0.00 O ATOM 506 NE2 GLN A 37 -7.887 21.996 6.102 1.00 0.00 N ATOM 0 H GLN A 37 -7.251 23.161 3.515 1.00 0.00 H new ATOM 0 HA GLN A 37 -9.960 22.373 3.390 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -8.560 25.068 3.678 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -10.300 24.891 3.787 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -9.275 24.787 6.048 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -10.045 23.262 5.654 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -8.766 21.548 6.361 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -7.004 21.504 6.240 1.00 0.00 H new ATOM 515 N ALA A 38 -8.901 24.346 0.944 1.00 0.00 N ATOM 516 CA ALA A 38 -9.209 24.789 -0.411 1.00 0.00 C ATOM 517 C ALA A 38 -9.392 23.588 -1.333 1.00 0.00 C ATOM 518 O ALA A 38 -10.290 23.571 -2.176 1.00 0.00 O ATOM 519 CB ALA A 38 -8.080 25.675 -0.941 1.00 0.00 C ATOM 0 H ALA A 38 -8.024 24.705 1.320 1.00 0.00 H new ATOM 0 HA ALA A 38 -10.136 25.362 -0.386 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -8.318 26.001 -1.953 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -7.968 26.546 -0.296 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -7.148 25.109 -0.952 1.00 0.00 H new ATOM 525 N ASP A 39 -8.537 22.584 -1.165 1.00 0.00 N ATOM 526 CA ASP A 39 -8.614 21.382 -1.986 1.00 0.00 C ATOM 527 C ASP A 39 -9.942 20.667 -1.762 1.00 0.00 C ATOM 528 O ASP A 39 -10.730 20.492 -2.693 1.00 0.00 O ATOM 529 CB ASP A 39 -7.460 20.439 -1.642 1.00 0.00 C ATOM 530 CG ASP A 39 -7.576 19.154 -2.455 1.00 0.00 C ATOM 531 OD1 ASP A 39 -7.037 19.117 -3.548 1.00 0.00 O ATOM 532 OD2 ASP A 39 -8.202 18.225 -1.971 1.00 0.00 O ATOM 0 H ASP A 39 -7.788 22.579 -0.473 1.00 0.00 H new ATOM 0 HA ASP A 39 -8.543 21.674 -3.034 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -6.507 20.926 -1.850 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -7.474 20.208 -0.577 1.00 0.00 H new ATOM 537 N LEU A 40 -10.186 20.256 -0.521 1.00 0.00 N ATOM 538 CA LEU A 40 -11.424 19.562 -0.186 1.00 0.00 C ATOM 539 C LEU A 40 -12.623 20.290 -0.786 1.00 0.00 C ATOM 540 O LEU A 40 -13.495 19.673 -1.397 1.00 0.00 O ATOM 541 CB LEU A 40 -11.582 19.480 1.335 1.00 0.00 C ATOM 542 CG LEU A 40 -10.615 18.432 1.904 1.00 0.00 C ATOM 543 CD1 LEU A 40 -10.253 18.795 3.346 1.00 0.00 C ATOM 544 CD2 LEU A 40 -11.280 17.051 1.884 1.00 0.00 C ATOM 0 H LEU A 40 -9.548 20.390 0.263 1.00 0.00 H new ATOM 0 HA LEU A 40 -11.379 18.555 -0.600 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -11.382 20.453 1.783 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -12.609 19.216 1.589 1.00 0.00 H new ATOM 0 HG LEU A 40 -9.712 18.411 1.294 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -9.567 18.050 3.747 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -9.776 19.775 3.366 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -11.158 18.819 3.953 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -10.591 16.310 2.288 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -12.185 17.074 2.491 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -11.537 16.786 0.859 1.00 0.00 H new ATOM 556 N ALA A 41 -12.658 21.607 -0.606 1.00 0.00 N ATOM 557 CA ALA A 41 -13.755 22.410 -1.134 1.00 0.00 C ATOM 558 C ALA A 41 -13.870 22.231 -2.645 1.00 0.00 C ATOM 559 O ALA A 41 -14.940 21.903 -3.160 1.00 0.00 O ATOM 560 CB ALA A 41 -13.524 23.887 -0.810 1.00 0.00 C ATOM 0 H ALA A 41 -11.946 22.137 -0.103 1.00 0.00 H new ATOM 0 HA ALA A 41 -14.682 22.077 -0.668 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -14.348 24.480 -1.208 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -13.471 24.018 0.271 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -12.588 24.217 -1.262 1.00 0.00 H new ATOM 566 N LEU A 42 -12.765 22.449 -3.349 1.00 0.00 N ATOM 567 CA LEU A 42 -12.755 22.309 -4.801 1.00 0.00 C ATOM 568 C LEU A 42 -13.181 20.903 -5.206 1.00 0.00 C ATOM 569 O LEU A 42 -13.943 20.722 -6.156 1.00 0.00 O ATOM 570 CB LEU A 42 -11.353 22.597 -5.346 1.00 0.00 C ATOM 571 CG LEU A 42 -11.060 24.103 -5.262 1.00 0.00 C ATOM 572 CD1 LEU A 42 -9.551 24.326 -5.133 1.00 0.00 C ATOM 573 CD2 LEU A 42 -11.566 24.800 -6.530 1.00 0.00 C ATOM 0 H LEU A 42 -11.870 22.721 -2.942 1.00 0.00 H new ATOM 0 HA LEU A 42 -13.461 23.026 -5.220 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -10.610 22.040 -4.775 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -11.279 22.260 -6.380 1.00 0.00 H new ATOM 0 HG LEU A 42 -11.568 24.518 -4.391 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -9.345 25.395 -5.074 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -9.187 23.835 -4.230 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -9.046 23.907 -6.003 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -11.356 25.868 -6.467 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -11.061 24.382 -7.401 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -12.641 24.646 -6.625 1.00 0.00 H new ATOM 585 N ARG A 43 -12.683 19.909 -4.479 1.00 0.00 N ATOM 586 CA ARG A 43 -13.017 18.519 -4.770 1.00 0.00 C ATOM 587 C ARG A 43 -14.498 18.260 -4.512 1.00 0.00 C ATOM 588 O ARG A 43 -15.182 17.644 -5.329 1.00 0.00 O ATOM 589 CB ARG A 43 -12.172 17.585 -3.902 1.00 0.00 C ATOM 590 CG ARG A 43 -12.598 16.135 -4.147 1.00 0.00 C ATOM 591 CD ARG A 43 -11.568 15.182 -3.533 1.00 0.00 C ATOM 592 NE ARG A 43 -10.457 14.972 -4.460 1.00 0.00 N ATOM 593 CZ ARG A 43 -9.322 15.661 -4.358 1.00 0.00 C ATOM 594 NH1 ARG A 43 -9.176 16.555 -3.417 1.00 0.00 N ATOM 595 NH2 ARG A 43 -8.352 15.444 -5.202 1.00 0.00 N ATOM 0 H ARG A 43 -12.051 20.038 -3.689 1.00 0.00 H new ATOM 0 HA ARG A 43 -12.804 18.325 -5.821 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -11.115 17.709 -4.138 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -12.296 17.839 -2.849 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -13.580 15.956 -3.709 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -12.688 15.948 -5.217 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -11.195 15.593 -2.595 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -12.040 14.228 -3.298 1.00 0.00 H new ATOM 0 HE ARG A 43 -10.554 14.280 -5.203 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -9.933 16.728 -2.756 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -8.305 17.080 -3.343 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -8.463 14.747 -5.939 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -7.482 15.971 -5.125 1.00 0.00 H new ATOM 609 N ARG A 44 -14.986 18.734 -3.371 1.00 0.00 N ATOM 610 CA ARG A 44 -16.386 18.548 -3.014 1.00 0.00 C ATOM 611 C ARG A 44 -17.294 19.187 -4.062 1.00 0.00 C ATOM 612 O ARG A 44 -18.353 18.653 -4.390 1.00 0.00 O ATOM 613 CB ARG A 44 -16.658 19.171 -1.641 1.00 0.00 C ATOM 614 CG ARG A 44 -17.814 18.435 -0.962 1.00 0.00 C ATOM 615 CD ARG A 44 -18.182 19.148 0.339 1.00 0.00 C ATOM 616 NE ARG A 44 -19.031 18.292 1.161 1.00 0.00 N ATOM 617 CZ ARG A 44 -19.243 18.565 2.444 1.00 0.00 C ATOM 618 NH1 ARG A 44 -18.687 19.613 2.989 1.00 0.00 N ATOM 619 NH2 ARG A 44 -20.005 17.785 3.161 1.00 0.00 N ATOM 0 H ARG A 44 -14.436 19.247 -2.682 1.00 0.00 H new ATOM 0 HA ARG A 44 -16.598 17.479 -2.974 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -15.763 19.114 -1.021 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -16.902 20.228 -1.752 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -18.677 18.401 -1.627 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -17.530 17.403 -0.755 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -17.277 19.409 0.888 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -18.700 20.081 0.117 1.00 0.00 H new ATOM 0 HE ARG A 44 -19.469 17.471 0.744 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -18.090 20.222 2.430 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -18.850 19.823 3.974 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -20.438 16.965 2.737 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -20.167 17.995 4.146 1.00 0.00 H new ATOM 633 N SER A 45 -16.870 20.336 -4.582 1.00 0.00 N ATOM 634 CA SER A 45 -17.649 21.042 -5.594 1.00 0.00 C ATOM 635 C SER A 45 -17.254 20.580 -6.992 1.00 0.00 C ATOM 636 O SER A 45 -16.591 21.307 -7.732 1.00 0.00 O ATOM 637 CB SER A 45 -17.418 22.549 -5.470 1.00 0.00 C ATOM 638 OG SER A 45 -17.748 22.967 -4.151 1.00 0.00 O ATOM 0 H SER A 45 -15.997 20.795 -4.321 1.00 0.00 H new ATOM 0 HA SER A 45 -18.704 20.820 -5.435 1.00 0.00 H new ATOM 0 HB2 SER A 45 -16.378 22.789 -5.690 1.00 0.00 H new ATOM 0 HB3 SER A 45 -18.029 23.084 -6.197 1.00 0.00 H new ATOM 0 HG SER A 45 -17.007 22.755 -3.546 1.00 0.00 H new ATOM 644 N LEU A 46 -17.665 19.367 -7.349 1.00 0.00 N ATOM 645 CA LEU A 46 -17.345 18.818 -8.662 1.00 0.00 C ATOM 646 C LEU A 46 -18.195 19.481 -9.741 1.00 0.00 C ATOM 647 O LEU A 46 -17.768 19.609 -10.888 1.00 0.00 O ATOM 648 CB LEU A 46 -17.594 17.306 -8.669 1.00 0.00 C ATOM 649 CG LEU A 46 -16.885 16.667 -9.871 1.00 0.00 C ATOM 650 CD1 LEU A 46 -15.445 16.306 -9.495 1.00 0.00 C ATOM 651 CD2 LEU A 46 -17.630 15.395 -10.288 1.00 0.00 C ATOM 0 H LEU A 46 -18.216 18.750 -6.753 1.00 0.00 H new ATOM 0 HA LEU A 46 -16.294 19.015 -8.873 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -17.228 16.864 -7.742 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -18.664 17.105 -8.717 1.00 0.00 H new ATOM 0 HG LEU A 46 -16.876 17.377 -10.698 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -14.948 15.853 -10.353 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -14.909 17.208 -9.200 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -15.452 15.600 -8.665 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -17.126 14.942 -11.142 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -17.640 14.690 -9.456 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -18.654 15.647 -10.563 1.00 0.00 H new ATOM 663 N ASP A 47 -19.400 19.900 -9.366 1.00 0.00 N ATOM 664 CA ASP A 47 -20.301 20.549 -10.312 1.00 0.00 C ATOM 665 C ASP A 47 -19.705 21.863 -10.807 1.00 0.00 C ATOM 666 O ASP A 47 -20.307 22.560 -11.624 1.00 0.00 O ATOM 667 CB ASP A 47 -21.651 20.817 -9.646 1.00 0.00 C ATOM 668 CG ASP A 47 -22.678 21.230 -10.695 1.00 0.00 C ATOM 669 OD1 ASP A 47 -22.732 20.583 -11.728 1.00 0.00 O ATOM 670 OD2 ASP A 47 -23.394 22.186 -10.451 1.00 0.00 O ATOM 0 H ASP A 47 -19.773 19.803 -8.422 1.00 0.00 H new ATOM 0 HA ASP A 47 -20.442 19.885 -11.165 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -21.992 19.923 -9.124 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -21.547 21.603 -8.898 1.00 0.00 H new ATOM 675 N SER A 48 -18.519 22.195 -10.308 1.00 0.00 N ATOM 676 CA SER A 48 -17.850 23.429 -10.707 1.00 0.00 C ATOM 677 C SER A 48 -17.222 23.275 -12.088 1.00 0.00 C ATOM 678 O SER A 48 -17.747 23.782 -13.079 1.00 0.00 O ATOM 679 CB SER A 48 -16.767 23.788 -9.690 1.00 0.00 C ATOM 680 OG SER A 48 -15.789 22.756 -9.661 1.00 0.00 O ATOM 0 H SER A 48 -18.004 21.632 -9.631 1.00 0.00 H new ATOM 0 HA SER A 48 -18.592 24.227 -10.744 1.00 0.00 H new ATOM 0 HB2 SER A 48 -16.303 24.738 -9.956 1.00 0.00 H new ATOM 0 HB3 SER A 48 -17.208 23.915 -8.701 1.00 0.00 H new ATOM 0 HG SER A 48 -16.142 21.985 -9.170 1.00 0.00 H new ATOM 894 N THR A 62 -38.268 6.685 -30.308 1.00 0.00 N ATOM 895 CA THR A 62 -39.163 7.663 -30.916 1.00 0.00 C ATOM 896 C THR A 62 -40.064 8.295 -29.853 1.00 0.00 C ATOM 897 O THR A 62 -40.374 7.665 -28.842 1.00 0.00 O ATOM 898 CB THR A 62 -40.025 6.983 -31.987 1.00 0.00 C ATOM 899 OG1 THR A 62 -40.411 5.695 -31.529 1.00 0.00 O ATOM 900 CG2 THR A 62 -39.223 6.845 -33.282 1.00 0.00 C ATOM 0 HA THR A 62 -38.562 8.447 -31.378 1.00 0.00 H new ATOM 0 HB THR A 62 -40.913 7.586 -32.177 1.00 0.00 H new ATOM 0 HG1 THR A 62 -39.668 5.286 -31.039 1.00 0.00 H new ATOM 0 HG21 THR A 62 -39.838 6.362 -34.041 1.00 0.00 H new ATOM 0 HG22 THR A 62 -38.924 7.833 -33.632 1.00 0.00 H new ATOM 0 HG23 THR A 62 -38.334 6.242 -33.097 1.00 0.00 H new ATOM 908 N PRO A 63 -40.486 9.518 -30.061 1.00 0.00 N ATOM 909 CA PRO A 63 -41.366 10.239 -29.100 1.00 0.00 C ATOM 910 C PRO A 63 -42.420 9.326 -28.476 1.00 0.00 C ATOM 911 O PRO A 63 -42.660 9.373 -27.270 1.00 0.00 O ATOM 912 CB PRO A 63 -42.016 11.319 -29.965 1.00 0.00 C ATOM 913 CG PRO A 63 -41.014 11.622 -31.033 1.00 0.00 C ATOM 914 CD PRO A 63 -40.171 10.354 -31.233 1.00 0.00 C ATOM 0 HA PRO A 63 -40.811 10.636 -28.250 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -42.955 10.968 -30.394 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -42.247 12.208 -29.378 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -41.513 11.903 -31.960 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -40.383 12.462 -30.742 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -40.429 9.848 -32.163 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -39.107 10.587 -31.281 1.00 0.00 H new ATOM 922 N GLU A 64 -43.049 8.500 -29.304 1.00 0.00 N ATOM 923 CA GLU A 64 -44.078 7.587 -28.818 1.00 0.00 C ATOM 924 C GLU A 64 -43.478 6.555 -27.869 1.00 0.00 C ATOM 925 O GLU A 64 -44.031 6.281 -26.803 1.00 0.00 O ATOM 926 CB GLU A 64 -44.745 6.876 -29.997 1.00 0.00 C ATOM 927 CG GLU A 64 -45.993 6.138 -29.511 1.00 0.00 C ATOM 928 CD GLU A 64 -46.765 5.580 -30.702 1.00 0.00 C ATOM 929 OE1 GLU A 64 -47.503 6.335 -31.312 1.00 0.00 O ATOM 930 OE2 GLU A 64 -46.607 4.403 -30.986 1.00 0.00 O ATOM 0 H GLU A 64 -42.867 8.443 -30.306 1.00 0.00 H new ATOM 0 HA GLU A 64 -44.824 8.168 -28.276 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -45.015 7.600 -30.766 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -44.048 6.172 -30.452 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -45.708 5.328 -28.840 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -46.628 6.816 -28.941 1.00 0.00 H new ATOM 937 N GLN A 65 -42.346 5.982 -28.264 1.00 0.00 N ATOM 938 CA GLN A 65 -41.681 4.977 -27.442 1.00 0.00 C ATOM 939 C GLN A 65 -41.254 5.574 -26.102 1.00 0.00 C ATOM 940 O GLN A 65 -41.726 5.152 -25.047 1.00 0.00 O ATOM 941 CB GLN A 65 -40.454 4.429 -28.183 1.00 0.00 C ATOM 942 CG GLN A 65 -40.830 3.153 -28.938 1.00 0.00 C ATOM 943 CD GLN A 65 -41.993 3.432 -29.881 1.00 0.00 C ATOM 944 OE1 GLN A 65 -42.739 2.520 -30.237 1.00 0.00 O ATOM 945 NE2 GLN A 65 -42.191 4.646 -30.309 1.00 0.00 N ATOM 0 H GLN A 65 -41.872 6.194 -29.142 1.00 0.00 H new ATOM 0 HA GLN A 65 -42.382 4.164 -27.252 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -40.075 5.176 -28.880 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -39.653 4.220 -27.474 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -39.972 2.788 -29.503 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -41.103 2.369 -28.232 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -41.571 5.399 -30.012 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -42.966 4.844 -30.941 1.00 0.00 H new ATOM 954 N MET A 66 -40.355 6.551 -26.150 1.00 0.00 N ATOM 955 CA MET A 66 -39.873 7.188 -24.929 1.00 0.00 C ATOM 956 C MET A 66 -41.040 7.703 -24.092 1.00 0.00 C ATOM 957 O MET A 66 -41.002 7.653 -22.863 1.00 0.00 O ATOM 958 CB MET A 66 -38.929 8.345 -25.273 1.00 0.00 C ATOM 959 CG MET A 66 -39.719 9.487 -25.921 1.00 0.00 C ATOM 960 SD MET A 66 -40.444 10.528 -24.629 1.00 0.00 S ATOM 961 CE MET A 66 -40.692 12.009 -25.639 1.00 0.00 C ATOM 0 H MET A 66 -39.949 6.916 -27.011 1.00 0.00 H new ATOM 0 HA MET A 66 -39.329 6.444 -24.347 1.00 0.00 H new ATOM 0 HB2 MET A 66 -38.432 8.701 -24.371 1.00 0.00 H new ATOM 0 HB3 MET A 66 -38.149 8.000 -25.951 1.00 0.00 H new ATOM 0 HG2 MET A 66 -39.064 10.082 -26.557 1.00 0.00 H new ATOM 0 HG3 MET A 66 -40.504 9.083 -26.561 1.00 0.00 H new ATOM 0 HE1 MET A 66 -40.952 12.849 -24.995 1.00 0.00 H new ATOM 0 HE2 MET A 66 -39.774 12.238 -26.181 1.00 0.00 H new ATOM 0 HE3 MET A 66 -41.499 11.833 -26.350 1.00 0.00 H new ATOM 971 N ALA A 67 -42.078 8.195 -24.763 1.00 0.00 N ATOM 972 CA ALA A 67 -43.248 8.713 -24.061 1.00 0.00 C ATOM 973 C ALA A 67 -43.958 7.592 -23.308 1.00 0.00 C ATOM 974 O ALA A 67 -44.025 7.603 -22.079 1.00 0.00 O ATOM 975 CB ALA A 67 -44.218 9.353 -25.057 1.00 0.00 C ATOM 0 H ALA A 67 -42.133 8.246 -25.780 1.00 0.00 H new ATOM 0 HA ALA A 67 -42.915 9.465 -23.346 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -45.088 9.736 -24.523 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -43.720 10.173 -25.575 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -44.539 8.606 -25.784 1.00 0.00 H new ATOM 981 N LYS A 68 -44.488 6.627 -24.054 1.00 0.00 N ATOM 982 CA LYS A 68 -45.193 5.504 -23.447 1.00 0.00 C ATOM 983 C LYS A 68 -44.407 4.959 -22.258 1.00 0.00 C ATOM 984 O LYS A 68 -44.936 4.846 -21.153 1.00 0.00 O ATOM 985 CB LYS A 68 -45.394 4.393 -24.482 1.00 0.00 C ATOM 986 CG LYS A 68 -46.450 3.398 -23.979 1.00 0.00 C ATOM 987 CD LYS A 68 -47.846 3.863 -24.407 1.00 0.00 C ATOM 988 CE LYS A 68 -48.895 2.876 -23.890 1.00 0.00 C ATOM 989 NZ LYS A 68 -49.110 3.099 -22.432 1.00 0.00 N ATOM 0 H LYS A 68 -44.443 6.600 -25.073 1.00 0.00 H new ATOM 0 HA LYS A 68 -46.164 5.854 -23.097 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -45.709 4.822 -25.433 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -44.451 3.877 -24.662 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -46.248 2.405 -24.381 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -46.400 3.318 -22.893 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -48.045 4.860 -24.014 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -47.901 3.932 -25.493 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -49.832 3.008 -24.431 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -48.566 1.852 -24.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -49.925 2.539 -22.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -48.261 2.806 -21.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -49.294 4.108 -22.258 1.00 0.00 H new ATOM 1003 N GLU A 69 -43.143 4.622 -22.495 1.00 0.00 N ATOM 1004 CA GLU A 69 -42.294 4.090 -21.435 1.00 0.00 C ATOM 1005 C GLU A 69 -42.296 5.023 -20.228 1.00 0.00 C ATOM 1006 O GLU A 69 -42.549 4.597 -19.102 1.00 0.00 O ATOM 1007 CB GLU A 69 -40.863 3.919 -21.949 1.00 0.00 C ATOM 1008 CG GLU A 69 -40.806 2.740 -22.921 1.00 0.00 C ATOM 1009 CD GLU A 69 -39.364 2.482 -23.343 1.00 0.00 C ATOM 1010 OE1 GLU A 69 -38.636 3.445 -23.513 1.00 0.00 O ATOM 1011 OE2 GLU A 69 -39.008 1.323 -23.490 1.00 0.00 O ATOM 0 H GLU A 69 -42.687 4.707 -23.404 1.00 0.00 H new ATOM 0 HA GLU A 69 -42.689 3.121 -21.131 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -40.533 4.831 -22.447 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -40.184 3.748 -21.114 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -41.221 1.849 -22.450 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -41.418 2.951 -23.798 1.00 0.00 H new ATOM 1018 N MET A 70 -42.011 6.298 -20.471 1.00 0.00 N ATOM 1019 CA MET A 70 -41.983 7.283 -19.397 1.00 0.00 C ATOM 1020 C MET A 70 -43.349 7.381 -18.725 1.00 0.00 C ATOM 1021 O MET A 70 -43.490 7.085 -17.539 1.00 0.00 O ATOM 1022 CB MET A 70 -41.585 8.653 -19.954 1.00 0.00 C ATOM 1023 CG MET A 70 -40.094 8.654 -20.295 1.00 0.00 C ATOM 1024 SD MET A 70 -39.125 8.768 -18.770 1.00 0.00 S ATOM 1025 CE MET A 70 -37.695 9.623 -19.475 1.00 0.00 C ATOM 0 H MET A 70 -41.798 6.671 -21.396 1.00 0.00 H new ATOM 0 HA MET A 70 -41.249 6.966 -18.657 1.00 0.00 H new ATOM 0 HB2 MET A 70 -42.172 8.880 -20.844 1.00 0.00 H new ATOM 0 HB3 MET A 70 -41.802 9.431 -19.222 1.00 0.00 H new ATOM 0 HG2 MET A 70 -39.834 7.745 -20.837 1.00 0.00 H new ATOM 0 HG3 MET A 70 -39.861 9.493 -20.950 1.00 0.00 H new ATOM 0 HE1 MET A 70 -36.955 9.799 -18.694 1.00 0.00 H new ATOM 0 HE2 MET A 70 -37.255 9.009 -20.260 1.00 0.00 H new ATOM 0 HE3 MET A 70 -38.013 10.577 -19.896 1.00 0.00 H new ATOM 1035 N SER A 71 -44.351 7.800 -19.491 1.00 0.00 N ATOM 1036 CA SER A 71 -45.703 7.932 -18.958 1.00 0.00 C ATOM 1037 C SER A 71 -46.079 6.704 -18.135 1.00 0.00 C ATOM 1038 O SER A 71 -46.771 6.811 -17.123 1.00 0.00 O ATOM 1039 CB SER A 71 -46.701 8.107 -20.102 1.00 0.00 C ATOM 1040 OG SER A 71 -46.927 6.849 -20.724 1.00 0.00 O ATOM 0 H SER A 71 -44.255 8.052 -20.475 1.00 0.00 H new ATOM 0 HA SER A 71 -45.733 8.810 -18.313 1.00 0.00 H new ATOM 0 HB2 SER A 71 -47.639 8.512 -19.723 1.00 0.00 H new ATOM 0 HB3 SER A 71 -46.316 8.822 -20.830 1.00 0.00 H new ATOM 0 HG SER A 71 -46.070 6.397 -20.869 1.00 0.00 H new ATOM 1046 N GLU A 72 -45.618 5.539 -18.578 1.00 0.00 N ATOM 1047 CA GLU A 72 -45.914 4.296 -17.873 1.00 0.00 C ATOM 1048 C GLU A 72 -45.036 4.162 -16.633 1.00 0.00 C ATOM 1049 O GLU A 72 -45.451 3.586 -15.627 1.00 0.00 O ATOM 1050 CB GLU A 72 -45.678 3.102 -18.800 1.00 0.00 C ATOM 1051 CG GLU A 72 -46.281 1.843 -18.173 1.00 0.00 C ATOM 1052 CD GLU A 72 -46.168 0.672 -19.143 1.00 0.00 C ATOM 1053 OE1 GLU A 72 -45.165 0.596 -19.835 1.00 0.00 O ATOM 1054 OE2 GLU A 72 -47.084 -0.133 -19.180 1.00 0.00 O ATOM 0 H GLU A 72 -45.043 5.429 -19.414 1.00 0.00 H new ATOM 0 HA GLU A 72 -46.959 4.315 -17.564 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -46.131 3.289 -19.774 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -44.610 2.963 -18.966 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -45.764 1.607 -17.243 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -47.327 2.017 -17.921 1.00 0.00 H new ATOM 1061 N PHE A 73 -43.822 4.697 -16.712 1.00 0.00 N ATOM 1062 CA PHE A 73 -42.894 4.629 -15.588 1.00 0.00 C ATOM 1063 C PHE A 73 -43.331 5.580 -14.476 1.00 0.00 C ATOM 1064 O PHE A 73 -43.481 5.175 -13.324 1.00 0.00 O ATOM 1065 CB PHE A 73 -41.483 4.997 -16.052 1.00 0.00 C ATOM 1066 CG PHE A 73 -40.480 4.568 -15.007 1.00 0.00 C ATOM 1067 CD1 PHE A 73 -39.999 3.254 -14.997 1.00 0.00 C ATOM 1068 CD2 PHE A 73 -40.033 5.486 -14.049 1.00 0.00 C ATOM 1069 CE1 PHE A 73 -39.069 2.857 -14.027 1.00 0.00 C ATOM 1070 CE2 PHE A 73 -39.104 5.089 -13.079 1.00 0.00 C ATOM 1071 CZ PHE A 73 -38.622 3.774 -13.069 1.00 0.00 C ATOM 0 H PHE A 73 -43.460 5.179 -17.535 1.00 0.00 H new ATOM 0 HA PHE A 73 -42.894 3.610 -15.201 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -41.263 4.511 -17.003 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -41.413 6.072 -16.219 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -40.344 2.546 -15.736 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -40.404 6.500 -14.058 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -38.697 1.843 -14.019 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -38.760 5.796 -12.339 1.00 0.00 H new ATOM 0 HZ PHE A 73 -37.905 3.468 -12.322 1.00 0.00 H new ATOM 1081 N LEU A 74 -43.534 6.845 -14.831 1.00 0.00 N ATOM 1082 CA LEU A 74 -43.955 7.843 -13.855 1.00 0.00 C ATOM 1083 C LEU A 74 -45.284 7.443 -13.223 1.00 0.00 C ATOM 1084 O LEU A 74 -45.706 8.021 -12.221 1.00 0.00 O ATOM 1085 CB LEU A 74 -44.102 9.210 -14.529 1.00 0.00 C ATOM 1086 CG LEU A 74 -42.847 9.521 -15.350 1.00 0.00 C ATOM 1087 CD1 LEU A 74 -43.045 10.836 -16.106 1.00 0.00 C ATOM 1088 CD2 LEU A 74 -41.639 9.646 -14.415 1.00 0.00 C ATOM 0 H LEU A 74 -43.415 7.201 -15.779 1.00 0.00 H new ATOM 0 HA LEU A 74 -43.195 7.904 -13.076 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -44.980 9.215 -15.174 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -44.256 9.983 -13.776 1.00 0.00 H new ATOM 0 HG LEU A 74 -42.671 8.715 -16.062 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -42.152 11.058 -16.690 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -43.902 10.747 -16.773 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -43.222 11.642 -15.394 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -40.747 9.867 -15.001 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -41.813 10.451 -13.701 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -41.497 8.709 -13.877 1.00 0.00 H new