USER MOD reduce.3.24.130724 H: found=0, std=0, add=427, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 428 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 21 ASN : amide:sc= -1.1 X(o=-3.1,f=-3.1) USER MOD Set 1.2: A 52 ASN : amide:sc= -1.97 K(o=-3.1,f=-9.7!) USER MOD Single : A 4 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.116) USER MOD Single : A 6 ASN : amide:sc= -0.042 X(o=-0.042,f=-0.042) USER MOD Single : A 7 LYS NZ :NH3+ 154:sc= -0.722 (180deg=-1.81!) USER MOD Single : A 17 MET CE :methyl 171:sc= -10.3! (180deg=-10.7!) USER MOD Single : A 23 ASN : amide:sc= -0.487 K(o=-0.49,f=-8.8!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN :FLIP amide:sc= -0.275 F(o=-1.5,f=-0.28) USER MOD Single : A 32 ASN : amide:sc= -0.289 K(o=-0.29,f=-7!) USER MOD Single : A 33 SER OG : rot 65:sc= 0.805 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -0.162 K(o=-0.16,f=-0.81) USER MOD Single : A 41 SER OG : rot -85:sc= -0.789 USER MOD Single : A 43 ASN : amide:sc= -0.2 X(o=-0.2,f=-0.027) USER MOD Single : A 49 LYS NZ :NH3+ -177:sc= -2.2! (180deg=-2.33!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -3.29! C(o=-3.3!,f=-6.2!) USER MOD ----------------------------------------------------------------- ATOM 45 N LYS A 4 -0.928 -13.188 9.262 1.00 0.00 N ATOM 46 CA LYS A 4 0.296 -12.730 8.601 1.00 0.00 C ATOM 47 C LYS A 4 0.073 -11.387 7.919 1.00 0.00 C ATOM 48 O LYS A 4 0.949 -10.888 7.204 1.00 0.00 O ATOM 49 CB LYS A 4 0.769 -13.760 7.564 1.00 0.00 C ATOM 50 CG LYS A 4 0.881 -15.156 8.200 1.00 0.00 C ATOM 51 CD LYS A 4 1.967 -15.162 9.287 1.00 0.00 C ATOM 52 CE LYS A 4 2.186 -16.592 9.791 1.00 0.00 C ATOM 53 NZ LYS A 4 2.969 -17.363 8.784 1.00 0.00 N ATOM 0 HA LYS A 4 1.064 -12.615 9.366 1.00 0.00 H new ATOM 0 HB2 LYS A 4 0.070 -13.790 6.728 1.00 0.00 H new ATOM 0 HB3 LYS A 4 1.736 -13.460 7.160 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -0.077 -15.444 8.632 1.00 0.00 H new ATOM 0 HG3 LYS A 4 1.120 -15.894 7.434 1.00 0.00 H new ATOM 0 HD2 LYS A 4 2.898 -14.761 8.887 1.00 0.00 H new ATOM 0 HD3 LYS A 4 1.671 -14.516 10.114 1.00 0.00 H new ATOM 0 HE2 LYS A 4 2.716 -16.575 10.743 1.00 0.00 H new ATOM 0 HE3 LYS A 4 1.226 -17.077 9.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 3.305 -18.250 9.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 2.365 -17.579 7.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 3.785 -16.798 8.472 1.00 0.00 H new ATOM 67 N PHE A 5 -1.109 -10.821 8.131 1.00 0.00 N ATOM 68 CA PHE A 5 -1.469 -9.550 7.521 1.00 0.00 C ATOM 69 C PHE A 5 -0.493 -8.447 7.864 1.00 0.00 C ATOM 70 O PHE A 5 0.050 -7.802 6.981 1.00 0.00 O ATOM 71 CB PHE A 5 -2.809 -9.082 8.070 1.00 0.00 C ATOM 72 CG PHE A 5 -3.965 -9.713 7.345 1.00 0.00 C ATOM 73 CD1 PHE A 5 -3.969 -11.086 7.058 1.00 0.00 C ATOM 74 CD2 PHE A 5 -5.048 -8.909 6.968 1.00 0.00 C ATOM 75 CE1 PHE A 5 -5.066 -11.646 6.386 1.00 0.00 C ATOM 76 CE2 PHE A 5 -6.135 -9.469 6.302 1.00 0.00 C ATOM 77 CZ PHE A 5 -6.146 -10.831 6.009 1.00 0.00 C ATOM 0 H PHE A 5 -1.835 -11.225 8.723 1.00 0.00 H new ATOM 0 HA PHE A 5 -1.482 -9.725 6.445 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -2.871 -9.324 9.131 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -2.877 -7.997 7.986 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -3.135 -11.706 7.352 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -5.040 -7.853 7.194 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -5.080 -12.702 6.159 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -6.970 -8.848 6.013 1.00 0.00 H new ATOM 0 HZ PHE A 5 -6.989 -11.262 5.490 1.00 0.00 H new ATOM 87 N ASN A 6 -0.319 -8.210 9.158 1.00 0.00 N ATOM 88 CA ASN A 6 0.538 -7.128 9.608 1.00 0.00 C ATOM 89 C ASN A 6 1.925 -7.226 9.019 1.00 0.00 C ATOM 90 O ASN A 6 2.431 -6.249 8.503 1.00 0.00 O ATOM 91 CB ASN A 6 0.644 -7.149 11.125 1.00 0.00 C ATOM 92 CG ASN A 6 -0.743 -7.050 11.756 1.00 0.00 C ATOM 93 OD1 ASN A 6 -1.180 -7.970 12.446 1.00 0.00 O ATOM 94 ND2 ASN A 6 -1.466 -5.982 11.559 1.00 0.00 N ATOM 0 H ASN A 6 -0.757 -8.748 9.906 1.00 0.00 H new ATOM 0 HA ASN A 6 0.087 -6.195 9.271 1.00 0.00 H new ATOM 0 HB2 ASN A 6 1.133 -8.067 11.449 1.00 0.00 H new ATOM 0 HB3 ASN A 6 1.265 -6.320 11.464 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -2.394 -5.910 11.977 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -1.104 -5.219 10.987 1.00 0.00 H new ATOM 101 N LYS A 7 2.517 -8.411 9.069 1.00 0.00 N ATOM 102 CA LYS A 7 3.849 -8.616 8.528 1.00 0.00 C ATOM 103 C LYS A 7 3.892 -8.236 7.056 1.00 0.00 C ATOM 104 O LYS A 7 4.816 -7.556 6.616 1.00 0.00 O ATOM 105 CB LYS A 7 4.229 -10.080 8.741 1.00 0.00 C ATOM 106 CG LYS A 7 5.701 -10.337 8.372 1.00 0.00 C ATOM 107 CD LYS A 7 5.845 -10.602 6.866 1.00 0.00 C ATOM 108 CE LYS A 7 5.018 -11.828 6.444 1.00 0.00 C ATOM 109 NZ LYS A 7 3.866 -11.386 5.605 1.00 0.00 N ATOM 0 H LYS A 7 2.094 -9.244 9.479 1.00 0.00 H new ATOM 0 HA LYS A 7 4.569 -7.978 9.041 1.00 0.00 H new ATOM 0 HB2 LYS A 7 4.060 -10.354 9.783 1.00 0.00 H new ATOM 0 HB3 LYS A 7 3.584 -10.717 8.136 1.00 0.00 H new ATOM 0 HG2 LYS A 7 6.307 -9.476 8.654 1.00 0.00 H new ATOM 0 HG3 LYS A 7 6.078 -11.191 8.934 1.00 0.00 H new ATOM 0 HD2 LYS A 7 5.517 -9.727 6.305 1.00 0.00 H new ATOM 0 HD3 LYS A 7 6.894 -10.764 6.620 1.00 0.00 H new ATOM 0 HE2 LYS A 7 5.642 -12.526 5.886 1.00 0.00 H new ATOM 0 HE3 LYS A 7 4.657 -12.358 7.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 3.577 -12.162 4.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 3.069 -11.124 6.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 4.148 -10.563 5.034 1.00 0.00 H new ATOM 123 N GLU A 8 2.875 -8.651 6.309 1.00 0.00 N ATOM 124 CA GLU A 8 2.800 -8.331 4.890 1.00 0.00 C ATOM 125 C GLU A 8 2.482 -6.850 4.707 1.00 0.00 C ATOM 126 O GLU A 8 2.997 -6.190 3.803 1.00 0.00 O ATOM 127 CB GLU A 8 1.709 -9.201 4.257 1.00 0.00 C ATOM 128 CG GLU A 8 1.755 -9.087 2.731 1.00 0.00 C ATOM 129 CD GLU A 8 3.069 -9.643 2.163 1.00 0.00 C ATOM 130 OE1 GLU A 8 3.615 -10.572 2.744 1.00 0.00 O ATOM 131 OE2 GLU A 8 3.512 -9.126 1.151 1.00 0.00 O ATOM 0 H GLU A 8 2.095 -9.207 6.661 1.00 0.00 H new ATOM 0 HA GLU A 8 3.755 -8.532 4.405 1.00 0.00 H new ATOM 0 HB2 GLU A 8 1.845 -10.241 4.555 1.00 0.00 H new ATOM 0 HB3 GLU A 8 0.730 -8.891 4.622 1.00 0.00 H new ATOM 0 HG2 GLU A 8 0.913 -9.628 2.299 1.00 0.00 H new ATOM 0 HG3 GLU A 8 1.645 -8.042 2.440 1.00 0.00 H new ATOM 138 N ARG A 9 1.626 -6.356 5.590 1.00 0.00 N ATOM 139 CA ARG A 9 1.195 -4.979 5.591 1.00 0.00 C ATOM 140 C ARG A 9 2.310 -4.034 6.016 1.00 0.00 C ATOM 141 O ARG A 9 2.352 -2.922 5.542 1.00 0.00 O ATOM 142 CB ARG A 9 -0.037 -4.811 6.488 1.00 0.00 C ATOM 143 CG ARG A 9 -1.244 -5.478 5.804 1.00 0.00 C ATOM 144 CD ARG A 9 -2.491 -5.401 6.689 1.00 0.00 C ATOM 145 NE ARG A 9 -3.214 -4.153 6.449 1.00 0.00 N ATOM 146 CZ ARG A 9 -2.774 -2.995 6.925 1.00 0.00 C ATOM 147 NH1 ARG A 9 -2.886 -2.724 8.193 1.00 0.00 N ATOM 148 NH2 ARG A 9 -2.232 -2.129 6.120 1.00 0.00 N ATOM 0 H ARG A 9 1.209 -6.915 6.334 1.00 0.00 H new ATOM 0 HA ARG A 9 0.925 -4.714 4.569 1.00 0.00 H new ATOM 0 HB2 ARG A 9 0.142 -5.264 7.463 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -0.237 -3.753 6.660 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -1.441 -4.990 4.850 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -1.012 -6.521 5.587 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -3.142 -6.251 6.484 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -2.204 -5.466 7.738 1.00 0.00 H new ATOM 0 HE ARG A 9 -4.076 -4.173 5.904 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -3.313 -3.402 8.824 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -2.547 -1.833 8.556 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -2.146 -2.341 5.126 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -1.893 -1.238 6.483 1.00 0.00 H new ATOM 162 N VAL A 10 3.198 -4.476 6.915 1.00 0.00 N ATOM 163 CA VAL A 10 4.301 -3.618 7.384 1.00 0.00 C ATOM 164 C VAL A 10 5.172 -3.285 6.205 1.00 0.00 C ATOM 165 O VAL A 10 5.559 -2.140 5.965 1.00 0.00 O ATOM 166 CB VAL A 10 5.234 -4.314 8.399 1.00 0.00 C ATOM 167 CG1 VAL A 10 6.261 -3.289 8.921 1.00 0.00 C ATOM 168 CG2 VAL A 10 4.464 -4.916 9.577 1.00 0.00 C ATOM 0 H VAL A 10 3.179 -5.408 7.329 1.00 0.00 H new ATOM 0 HA VAL A 10 3.837 -2.753 7.859 1.00 0.00 H new ATOM 0 HB VAL A 10 5.736 -5.135 7.886 1.00 0.00 H new ATOM 0 HG11 VAL A 10 6.924 -3.772 9.639 1.00 0.00 H new ATOM 0 HG12 VAL A 10 6.847 -2.904 8.087 1.00 0.00 H new ATOM 0 HG13 VAL A 10 5.738 -2.465 9.407 1.00 0.00 H new ATOM 0 HG21 VAL A 10 5.164 -5.394 10.263 1.00 0.00 H new ATOM 0 HG22 VAL A 10 3.925 -4.127 10.101 1.00 0.00 H new ATOM 0 HG23 VAL A 10 3.755 -5.657 9.208 1.00 0.00 H new ATOM 178 N ILE A 11 5.487 -4.340 5.498 1.00 0.00 N ATOM 179 CA ILE A 11 6.320 -4.260 4.342 1.00 0.00 C ATOM 180 C ILE A 11 5.653 -3.384 3.302 1.00 0.00 C ATOM 181 O ILE A 11 6.262 -2.484 2.741 1.00 0.00 O ATOM 182 CB ILE A 11 6.491 -5.679 3.800 1.00 0.00 C ATOM 183 CG1 ILE A 11 7.145 -6.568 4.873 1.00 0.00 C ATOM 184 CG2 ILE A 11 7.348 -5.665 2.536 1.00 0.00 C ATOM 185 CD1 ILE A 11 7.009 -8.039 4.466 1.00 0.00 C ATOM 0 H ILE A 11 5.166 -5.283 5.716 1.00 0.00 H new ATOM 0 HA ILE A 11 7.290 -3.828 4.588 1.00 0.00 H new ATOM 0 HB ILE A 11 5.510 -6.083 3.549 1.00 0.00 H new ATOM 0 HG12 ILE A 11 8.197 -6.306 4.986 1.00 0.00 H new ATOM 0 HG13 ILE A 11 6.669 -6.401 5.839 1.00 0.00 H new ATOM 0 HG21 ILE A 11 7.461 -6.682 2.162 1.00 0.00 H new ATOM 0 HG22 ILE A 11 6.866 -5.050 1.776 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.330 -5.252 2.767 1.00 0.00 H new ATOM 0 HD11 ILE A 11 7.472 -8.671 5.224 1.00 0.00 H new ATOM 0 HD12 ILE A 11 5.953 -8.295 4.375 1.00 0.00 H new ATOM 0 HD13 ILE A 11 7.505 -8.199 3.509 1.00 0.00 H new ATOM 197 N ALA A 12 4.390 -3.688 3.063 1.00 0.00 N ATOM 198 CA ALA A 12 3.587 -2.988 2.079 1.00 0.00 C ATOM 199 C ALA A 12 3.247 -1.558 2.472 1.00 0.00 C ATOM 200 O ALA A 12 3.406 -0.647 1.664 1.00 0.00 O ATOM 201 CB ALA A 12 2.319 -3.774 1.901 1.00 0.00 C ATOM 0 H ALA A 12 3.890 -4.432 3.550 1.00 0.00 H new ATOM 0 HA ALA A 12 4.165 -2.914 1.158 1.00 0.00 H new ATOM 0 HB1 ALA A 12 1.684 -3.279 1.166 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.560 -4.779 1.555 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.792 -3.835 2.853 1.00 0.00 H new ATOM 207 N ILE A 13 2.791 -1.354 3.705 1.00 0.00 N ATOM 208 CA ILE A 13 2.463 -0.021 4.161 1.00 0.00 C ATOM 209 C ILE A 13 3.730 0.805 4.118 1.00 0.00 C ATOM 210 O ILE A 13 3.724 1.961 3.736 1.00 0.00 O ATOM 211 CB ILE A 13 1.903 -0.057 5.599 1.00 0.00 C ATOM 212 CG1 ILE A 13 1.325 1.328 5.950 1.00 0.00 C ATOM 213 CG2 ILE A 13 3.012 -0.448 6.595 1.00 0.00 C ATOM 214 CD1 ILE A 13 1.654 1.713 7.392 1.00 0.00 C ATOM 0 H ILE A 13 2.644 -2.091 4.395 1.00 0.00 H new ATOM 0 HA ILE A 13 1.697 0.415 3.519 1.00 0.00 H new ATOM 0 HB ILE A 13 1.112 -0.804 5.663 1.00 0.00 H new ATOM 0 HG12 ILE A 13 1.729 2.077 5.269 1.00 0.00 H new ATOM 0 HG13 ILE A 13 0.244 1.320 5.810 1.00 0.00 H new ATOM 0 HG21 ILE A 13 2.603 -0.469 7.605 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.399 -1.434 6.339 1.00 0.00 H new ATOM 0 HG23 ILE A 13 3.819 0.283 6.546 1.00 0.00 H new ATOM 0 HD11 ILE A 13 1.234 2.694 7.611 1.00 0.00 H new ATOM 0 HD12 ILE A 13 1.228 0.975 8.072 1.00 0.00 H new ATOM 0 HD13 ILE A 13 2.736 1.744 7.523 1.00 0.00 H new ATOM 226 N GLY A 14 4.823 0.157 4.484 1.00 0.00 N ATOM 227 CA GLY A 14 6.115 0.784 4.481 1.00 0.00 C ATOM 228 C GLY A 14 6.503 1.133 3.053 1.00 0.00 C ATOM 229 O GLY A 14 7.117 2.173 2.804 1.00 0.00 O ATOM 0 H GLY A 14 4.830 -0.816 4.789 1.00 0.00 H new ATOM 0 HA2 GLY A 14 6.096 1.684 5.095 1.00 0.00 H new ATOM 0 HA3 GLY A 14 6.857 0.116 4.918 1.00 0.00 H new ATOM 233 N GLU A 15 6.122 0.258 2.106 1.00 0.00 N ATOM 234 CA GLU A 15 6.430 0.501 0.706 1.00 0.00 C ATOM 235 C GLU A 15 5.553 1.616 0.146 1.00 0.00 C ATOM 236 O GLU A 15 6.022 2.513 -0.550 1.00 0.00 O ATOM 237 CB GLU A 15 6.132 -0.760 -0.113 1.00 0.00 C ATOM 238 CG GLU A 15 7.103 -1.892 0.237 1.00 0.00 C ATOM 239 CD GLU A 15 8.089 -2.114 -0.909 1.00 0.00 C ATOM 240 OE1 GLU A 15 9.094 -1.422 -0.942 1.00 0.00 O ATOM 241 OE2 GLU A 15 7.822 -2.965 -1.741 1.00 0.00 O ATOM 0 H GLU A 15 5.610 -0.605 2.290 1.00 0.00 H new ATOM 0 HA GLU A 15 7.482 0.778 0.640 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.108 -1.085 0.074 1.00 0.00 H new ATOM 0 HB3 GLU A 15 6.204 -0.531 -1.176 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.645 -1.647 1.150 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.548 -2.810 0.432 1.00 0.00 H new ATOM 248 N ILE A 16 4.268 1.513 0.443 1.00 0.00 N ATOM 249 CA ILE A 16 3.271 2.460 -0.019 1.00 0.00 C ATOM 250 C ILE A 16 3.382 3.825 0.666 1.00 0.00 C ATOM 251 O ILE A 16 3.141 4.861 0.048 1.00 0.00 O ATOM 252 CB ILE A 16 1.898 1.791 0.121 1.00 0.00 C ATOM 253 CG1 ILE A 16 1.860 0.664 -0.926 1.00 0.00 C ATOM 254 CG2 ILE A 16 0.737 2.770 -0.108 1.00 0.00 C ATOM 255 CD1 ILE A 16 0.609 -0.188 -0.779 1.00 0.00 C ATOM 0 H ILE A 16 3.886 0.762 1.017 1.00 0.00 H new ATOM 0 HA ILE A 16 3.437 2.702 -1.069 1.00 0.00 H new ATOM 0 HB ILE A 16 1.772 1.415 1.136 1.00 0.00 H new ATOM 0 HG12 ILE A 16 1.894 1.094 -1.927 1.00 0.00 H new ATOM 0 HG13 ILE A 16 2.744 0.036 -0.819 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -0.211 2.243 0.003 1.00 0.00 H new ATOM 0 HG22 ILE A 16 0.792 3.577 0.623 1.00 0.00 H new ATOM 0 HG23 ILE A 16 0.805 3.186 -1.113 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.614 -0.974 -1.534 1.00 0.00 H new ATOM 0 HD12 ILE A 16 0.590 -0.638 0.214 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -0.274 0.437 -0.912 1.00 0.00 H new ATOM 267 N MET A 17 3.762 3.824 1.933 1.00 0.00 N ATOM 268 CA MET A 17 3.921 5.073 2.671 1.00 0.00 C ATOM 269 C MET A 17 5.094 5.882 2.095 1.00 0.00 C ATOM 270 O MET A 17 5.169 7.098 2.280 1.00 0.00 O ATOM 271 CB MET A 17 4.123 4.782 4.166 1.00 0.00 C ATOM 272 CG MET A 17 2.779 4.379 4.797 1.00 0.00 C ATOM 273 SD MET A 17 1.626 5.773 4.808 1.00 0.00 S ATOM 274 CE MET A 17 0.103 4.790 4.675 1.00 0.00 C ATOM 0 H MET A 17 3.965 2.982 2.471 1.00 0.00 H new ATOM 0 HA MET A 17 3.016 5.671 2.564 1.00 0.00 H new ATOM 0 HB2 MET A 17 4.852 3.982 4.296 1.00 0.00 H new ATOM 0 HB3 MET A 17 4.523 5.663 4.668 1.00 0.00 H new ATOM 0 HG2 MET A 17 2.346 3.548 4.240 1.00 0.00 H new ATOM 0 HG3 MET A 17 2.942 4.029 5.816 1.00 0.00 H new ATOM 0 HE1 MET A 17 -0.762 5.437 4.824 1.00 0.00 H new ATOM 0 HE2 MET A 17 0.049 4.334 3.686 1.00 0.00 H new ATOM 0 HE3 MET A 17 0.107 4.009 5.435 1.00 0.00 H new ATOM 284 N ARG A 18 5.994 5.191 1.379 1.00 0.00 N ATOM 285 CA ARG A 18 7.151 5.819 0.751 1.00 0.00 C ATOM 286 C ARG A 18 6.717 6.714 -0.409 1.00 0.00 C ATOM 287 O ARG A 18 7.334 7.746 -0.678 1.00 0.00 O ATOM 288 CB ARG A 18 8.067 4.710 0.225 1.00 0.00 C ATOM 289 CG ARG A 18 9.309 5.291 -0.456 1.00 0.00 C ATOM 290 CD ARG A 18 10.053 4.165 -1.173 1.00 0.00 C ATOM 291 NE ARG A 18 10.405 3.098 -0.234 1.00 0.00 N ATOM 292 CZ ARG A 18 10.117 1.822 -0.492 1.00 0.00 C ATOM 293 NH1 ARG A 18 8.966 1.500 -1.009 1.00 0.00 N ATOM 294 NH2 ARG A 18 10.989 0.892 -0.225 1.00 0.00 N ATOM 0 H ARG A 18 5.935 4.185 1.223 1.00 0.00 H new ATOM 0 HA ARG A 18 7.672 6.438 1.482 1.00 0.00 H new ATOM 0 HB2 ARG A 18 8.370 4.064 1.049 1.00 0.00 H new ATOM 0 HB3 ARG A 18 7.519 4.088 -0.483 1.00 0.00 H new ATOM 0 HG2 ARG A 18 9.021 6.065 -1.167 1.00 0.00 H new ATOM 0 HG3 ARG A 18 9.958 5.762 0.282 1.00 0.00 H new ATOM 0 HD2 ARG A 18 9.431 3.762 -1.972 1.00 0.00 H new ATOM 0 HD3 ARG A 18 10.956 4.558 -1.640 1.00 0.00 H new ATOM 0 HE ARG A 18 10.881 3.336 0.636 1.00 0.00 H new ATOM 0 HH11 ARG A 18 8.280 2.225 -1.218 1.00 0.00 H new ATOM 0 HH12 ARG A 18 8.750 0.522 -1.205 1.00 0.00 H new ATOM 0 HH21 ARG A 18 11.891 1.140 0.181 1.00 0.00 H new ATOM 0 HH22 ARG A 18 10.770 -0.084 -0.422 1.00 0.00 H new ATOM 308 N LEU A 19 5.668 6.269 -1.102 1.00 0.00 N ATOM 309 CA LEU A 19 5.128 6.957 -2.271 1.00 0.00 C ATOM 310 C LEU A 19 5.021 8.476 -2.061 1.00 0.00 C ATOM 311 O LEU A 19 4.147 8.955 -1.336 1.00 0.00 O ATOM 312 CB LEU A 19 3.774 6.330 -2.603 1.00 0.00 C ATOM 313 CG LEU A 19 3.968 4.801 -2.726 1.00 0.00 C ATOM 314 CD1 LEU A 19 2.645 4.088 -3.021 1.00 0.00 C ATOM 315 CD2 LEU A 19 4.994 4.511 -3.827 1.00 0.00 C ATOM 0 H LEU A 19 5.166 5.413 -0.864 1.00 0.00 H new ATOM 0 HA LEU A 19 5.811 6.832 -3.111 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.047 6.560 -1.824 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.383 6.740 -3.534 1.00 0.00 H new ATOM 0 HG LEU A 19 4.334 4.418 -1.773 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.820 3.015 -3.101 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.939 4.282 -2.213 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.233 4.459 -3.959 1.00 0.00 H new ATOM 0 HD21 LEU A 19 5.135 3.434 -3.918 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.634 4.912 -4.775 1.00 0.00 H new ATOM 0 HD23 LEU A 19 5.944 4.981 -3.572 1.00 0.00 H new ATOM 327 N PRO A 20 5.932 9.227 -2.666 1.00 0.00 N ATOM 328 CA PRO A 20 5.988 10.716 -2.530 1.00 0.00 C ATOM 329 C PRO A 20 4.912 11.449 -3.326 1.00 0.00 C ATOM 330 O PRO A 20 4.633 12.619 -3.054 1.00 0.00 O ATOM 331 CB PRO A 20 7.355 11.113 -3.118 1.00 0.00 C ATOM 332 CG PRO A 20 8.014 9.869 -3.623 1.00 0.00 C ATOM 333 CD PRO A 20 7.005 8.729 -3.545 1.00 0.00 C ATOM 0 HA PRO A 20 5.836 10.986 -1.485 1.00 0.00 H new ATOM 0 HB2 PRO A 20 7.229 11.833 -3.926 1.00 0.00 H new ATOM 0 HB3 PRO A 20 7.973 11.591 -2.358 1.00 0.00 H new ATOM 0 HG2 PRO A 20 8.352 10.008 -4.650 1.00 0.00 H new ATOM 0 HG3 PRO A 20 8.896 9.637 -3.026 1.00 0.00 H new ATOM 0 HD2 PRO A 20 6.620 8.475 -4.533 1.00 0.00 H new ATOM 0 HD3 PRO A 20 7.461 7.826 -3.139 1.00 0.00 H new ATOM 341 N ASN A 21 4.358 10.792 -4.346 1.00 0.00 N ATOM 342 CA ASN A 21 3.374 11.455 -5.205 1.00 0.00 C ATOM 343 C ASN A 21 1.975 11.355 -4.637 1.00 0.00 C ATOM 344 O ASN A 21 1.249 12.339 -4.580 1.00 0.00 O ATOM 345 CB ASN A 21 3.433 10.840 -6.609 1.00 0.00 C ATOM 346 CG ASN A 21 4.861 10.954 -7.149 1.00 0.00 C ATOM 347 OD1 ASN A 21 5.661 11.750 -6.654 1.00 0.00 O ATOM 348 ND2 ASN A 21 5.230 10.209 -8.140 1.00 0.00 N ATOM 0 H ASN A 21 4.566 9.825 -4.595 1.00 0.00 H new ATOM 0 HA ASN A 21 3.621 12.515 -5.259 1.00 0.00 H new ATOM 0 HB2 ASN A 21 3.127 9.794 -6.574 1.00 0.00 H new ATOM 0 HB3 ASN A 21 2.738 11.354 -7.273 1.00 0.00 H new ATOM 0 HD21 ASN A 21 6.179 10.282 -8.508 1.00 0.00 H new ATOM 0 HD22 ASN A 21 4.572 9.548 -8.554 1.00 0.00 H new ATOM 355 N LEU A 22 1.607 10.165 -4.224 1.00 0.00 N ATOM 356 CA LEU A 22 0.283 9.924 -3.673 1.00 0.00 C ATOM 357 C LEU A 22 -0.029 10.815 -2.494 1.00 0.00 C ATOM 358 O LEU A 22 0.855 11.191 -1.721 1.00 0.00 O ATOM 359 CB LEU A 22 0.200 8.484 -3.214 1.00 0.00 C ATOM 360 CG LEU A 22 0.325 7.579 -4.427 1.00 0.00 C ATOM 361 CD1 LEU A 22 0.887 6.233 -3.998 1.00 0.00 C ATOM 362 CD2 LEU A 22 -1.050 7.400 -5.057 1.00 0.00 C ATOM 0 H LEU A 22 2.206 9.340 -4.257 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.440 10.142 -4.459 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.994 8.269 -2.499 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.746 8.304 -2.704 1.00 0.00 H new ATOM 0 HG LEU A 22 0.999 8.025 -5.158 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.977 5.582 -4.868 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.870 6.376 -3.548 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.218 5.775 -3.270 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.969 6.751 -5.929 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.727 6.949 -4.331 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.440 8.371 -5.362 1.00 0.00 H new ATOM 374 N ASN A 23 -1.316 11.080 -2.335 1.00 0.00 N ATOM 375 CA ASN A 23 -1.793 11.856 -1.212 1.00 0.00 C ATOM 376 C ASN A 23 -2.029 10.872 -0.092 1.00 0.00 C ATOM 377 O ASN A 23 -2.142 9.669 -0.346 1.00 0.00 O ATOM 378 CB ASN A 23 -3.083 12.606 -1.573 1.00 0.00 C ATOM 379 CG ASN A 23 -3.974 11.735 -2.454 1.00 0.00 C ATOM 380 OD1 ASN A 23 -4.654 10.843 -1.956 1.00 0.00 O ATOM 381 ND2 ASN A 23 -3.995 11.935 -3.744 1.00 0.00 N ATOM 0 H ASN A 23 -2.047 10.766 -2.974 1.00 0.00 H new ATOM 0 HA ASN A 23 -1.069 12.616 -0.919 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -3.617 12.882 -0.664 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -2.840 13.532 -2.094 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -4.578 11.349 -4.342 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -3.428 12.677 -4.154 1.00 0.00 H new ATOM 388 N SER A 24 -2.076 11.350 1.135 1.00 0.00 N ATOM 389 CA SER A 24 -2.260 10.448 2.257 1.00 0.00 C ATOM 390 C SER A 24 -3.445 9.526 2.038 1.00 0.00 C ATOM 391 O SER A 24 -3.398 8.382 2.425 1.00 0.00 O ATOM 392 CB SER A 24 -2.463 11.219 3.546 1.00 0.00 C ATOM 393 OG SER A 24 -3.580 12.090 3.415 1.00 0.00 O ATOM 0 H SER A 24 -1.992 12.337 1.380 1.00 0.00 H new ATOM 0 HA SER A 24 -1.354 9.847 2.334 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.624 10.527 4.373 1.00 0.00 H new ATOM 0 HB3 SER A 24 -1.567 11.794 3.782 1.00 0.00 H new ATOM 0 HG SER A 24 -3.709 12.585 4.251 1.00 0.00 H new ATOM 399 N LEU A 25 -4.497 10.022 1.410 1.00 0.00 N ATOM 400 CA LEU A 25 -5.674 9.202 1.171 1.00 0.00 C ATOM 401 C LEU A 25 -5.343 8.027 0.298 1.00 0.00 C ATOM 402 O LEU A 25 -5.697 6.914 0.634 1.00 0.00 O ATOM 403 CB LEU A 25 -6.746 10.015 0.478 1.00 0.00 C ATOM 404 CG LEU A 25 -7.051 11.300 1.254 1.00 0.00 C ATOM 405 CD1 LEU A 25 -6.049 12.410 0.900 1.00 0.00 C ATOM 406 CD2 LEU A 25 -8.444 11.759 0.860 1.00 0.00 C ATOM 0 H LEU A 25 -4.562 10.978 1.059 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.030 8.850 2.139 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -6.421 10.265 -0.532 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -7.654 9.420 0.383 1.00 0.00 H new ATOM 0 HG LEU A 25 -6.980 11.101 2.323 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.289 13.311 1.465 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.040 12.083 1.150 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -6.106 12.625 -0.167 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -8.691 12.675 1.397 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -8.475 11.949 -0.213 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -9.167 10.984 1.112 1.00 0.00 H new ATOM 418 N GLN A 26 -4.651 8.276 -0.806 1.00 0.00 N ATOM 419 CA GLN A 26 -4.267 7.201 -1.693 1.00 0.00 C ATOM 420 C GLN A 26 -3.298 6.298 -0.987 1.00 0.00 C ATOM 421 O GLN A 26 -3.427 5.083 -1.011 1.00 0.00 O ATOM 422 CB GLN A 26 -3.608 7.746 -2.932 1.00 0.00 C ATOM 423 CG GLN A 26 -4.673 8.340 -3.849 1.00 0.00 C ATOM 424 CD GLN A 26 -5.484 7.225 -4.506 1.00 0.00 C ATOM 425 OE1 GLN A 26 -4.899 6.413 -5.344 1.00 0.00 O flip ATOM 426 NE2 GLN A 26 -6.679 7.087 -4.246 1.00 0.00 N flip ATOM 0 H GLN A 26 -4.350 9.205 -1.101 1.00 0.00 H new ATOM 0 HA GLN A 26 -5.162 6.649 -1.979 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -2.876 8.508 -2.664 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -3.067 6.953 -3.449 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -5.334 8.992 -3.277 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -4.202 8.956 -4.614 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -7.135 7.722 -3.591 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -7.213 6.337 -4.685 1.00 0.00 H new ATOM 435 N VAL A 27 -2.355 6.931 -0.317 1.00 0.00 N ATOM 436 CA VAL A 27 -1.357 6.232 0.449 1.00 0.00 C ATOM 437 C VAL A 27 -2.071 5.348 1.460 1.00 0.00 C ATOM 438 O VAL A 27 -1.733 4.179 1.649 1.00 0.00 O ATOM 439 CB VAL A 27 -0.501 7.302 1.157 1.00 0.00 C ATOM 440 CG1 VAL A 27 0.293 6.725 2.322 1.00 0.00 C ATOM 441 CG2 VAL A 27 0.476 7.933 0.159 1.00 0.00 C ATOM 0 H VAL A 27 -2.264 7.947 -0.292 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.719 5.604 -0.172 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.187 8.053 1.549 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.880 7.516 2.789 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.393 6.301 3.055 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.961 5.945 1.956 1.00 0.00 H new ATOM 0 HG21 VAL A 27 1.077 8.688 0.666 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.130 7.161 -0.248 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.083 8.399 -0.652 1.00 0.00 H new ATOM 451 N VAL A 28 -3.090 5.932 2.065 1.00 0.00 N ATOM 452 CA VAL A 28 -3.924 5.239 3.033 1.00 0.00 C ATOM 453 C VAL A 28 -4.832 4.233 2.357 1.00 0.00 C ATOM 454 O VAL A 28 -5.134 3.172 2.902 1.00 0.00 O ATOM 455 CB VAL A 28 -4.691 6.220 3.895 1.00 0.00 C ATOM 456 CG1 VAL A 28 -5.536 5.439 4.905 1.00 0.00 C ATOM 457 CG2 VAL A 28 -3.656 7.061 4.644 1.00 0.00 C ATOM 0 H VAL A 28 -3.363 6.901 1.899 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.271 4.675 3.699 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.346 6.851 3.293 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -6.092 6.137 5.531 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -6.234 4.793 4.373 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -4.884 4.830 5.532 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.166 7.784 5.280 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.035 6.410 5.260 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.028 7.588 3.926 1.00 0.00 H new ATOM 467 N ALA A 29 -5.268 4.602 1.168 1.00 0.00 N ATOM 468 CA ALA A 29 -6.148 3.781 0.373 1.00 0.00 C ATOM 469 C ALA A 29 -5.519 2.434 0.217 1.00 0.00 C ATOM 470 O ALA A 29 -6.185 1.399 0.253 1.00 0.00 O ATOM 471 CB ALA A 29 -6.280 4.405 -1.001 1.00 0.00 C ATOM 0 H ALA A 29 -5.017 5.487 0.727 1.00 0.00 H new ATOM 0 HA ALA A 29 -7.125 3.698 0.849 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -6.943 3.796 -1.615 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -6.694 5.409 -0.906 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.298 4.460 -1.471 1.00 0.00 H new ATOM 477 N PHE A 30 -4.209 2.468 0.070 1.00 0.00 N ATOM 478 CA PHE A 30 -3.461 1.286 -0.054 1.00 0.00 C ATOM 479 C PHE A 30 -3.411 0.582 1.252 1.00 0.00 C ATOM 480 O PHE A 30 -3.541 -0.630 1.269 1.00 0.00 O ATOM 481 CB PHE A 30 -2.079 1.619 -0.509 1.00 0.00 C ATOM 482 CG PHE A 30 -2.142 1.845 -1.976 1.00 0.00 C ATOM 483 CD1 PHE A 30 -2.356 0.766 -2.822 1.00 0.00 C ATOM 484 CD2 PHE A 30 -2.017 3.128 -2.485 1.00 0.00 C ATOM 485 CE1 PHE A 30 -2.455 0.973 -4.184 1.00 0.00 C ATOM 486 CE2 PHE A 30 -2.116 3.344 -3.843 1.00 0.00 C ATOM 487 CZ PHE A 30 -2.344 2.264 -4.707 1.00 0.00 C ATOM 0 H PHE A 30 -3.658 3.326 0.036 1.00 0.00 H new ATOM 0 HA PHE A 30 -3.933 0.633 -0.788 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -1.710 2.508 0.002 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.391 0.807 -0.274 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -2.445 -0.231 -2.417 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -1.842 3.959 -1.818 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -2.619 0.135 -4.846 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -2.018 4.343 -4.240 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.433 2.429 -5.771 1.00 0.00 H new ATOM 497 N ILE A 31 -3.269 1.341 2.358 1.00 0.00 N ATOM 498 CA ILE A 31 -3.238 0.685 3.662 1.00 0.00 C ATOM 499 C ILE A 31 -4.505 -0.144 3.766 1.00 0.00 C ATOM 500 O ILE A 31 -4.512 -1.265 4.284 1.00 0.00 O ATOM 501 CB ILE A 31 -3.285 1.677 4.837 1.00 0.00 C ATOM 502 CG1 ILE A 31 -2.144 2.680 4.778 1.00 0.00 C ATOM 503 CG2 ILE A 31 -3.181 0.913 6.168 1.00 0.00 C ATOM 504 CD1 ILE A 31 -2.356 3.704 5.905 1.00 0.00 C ATOM 0 H ILE A 31 -3.179 2.357 2.370 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.312 0.113 3.726 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.231 2.214 4.767 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -1.185 2.175 4.897 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.124 3.178 3.809 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -3.215 1.620 6.997 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -4.014 0.215 6.253 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.241 0.362 6.199 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -1.550 4.438 5.886 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.311 4.210 5.762 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -2.358 3.191 6.867 1.00 0.00 H new ATOM 516 N ASN A 32 -5.577 0.455 3.253 1.00 0.00 N ATOM 517 CA ASN A 32 -6.886 -0.162 3.260 1.00 0.00 C ATOM 518 C ASN A 32 -6.961 -1.370 2.338 1.00 0.00 C ATOM 519 O ASN A 32 -7.615 -2.357 2.667 1.00 0.00 O ATOM 520 CB ASN A 32 -7.915 0.889 2.847 1.00 0.00 C ATOM 521 CG ASN A 32 -8.368 1.689 4.065 1.00 0.00 C ATOM 522 OD1 ASN A 32 -9.127 1.187 4.894 1.00 0.00 O ATOM 523 ND2 ASN A 32 -7.941 2.911 4.224 1.00 0.00 N ATOM 0 H ASN A 32 -5.555 1.380 2.823 1.00 0.00 H new ATOM 0 HA ASN A 32 -7.093 -0.528 4.266 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -7.483 1.558 2.103 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -8.773 0.405 2.381 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -8.236 3.453 5.036 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -7.312 3.325 3.536 1.00 0.00 H new ATOM 530 N SER A 33 -6.306 -1.300 1.188 1.00 0.00 N ATOM 531 CA SER A 33 -6.336 -2.409 0.262 1.00 0.00 C ATOM 532 C SER A 33 -5.553 -3.599 0.818 1.00 0.00 C ATOM 533 O SER A 33 -5.920 -4.750 0.588 1.00 0.00 O ATOM 534 CB SER A 33 -5.761 -1.970 -1.072 1.00 0.00 C ATOM 535 OG SER A 33 -6.333 -0.725 -1.452 1.00 0.00 O ATOM 0 H SER A 33 -5.757 -0.497 0.882 1.00 0.00 H new ATOM 0 HA SER A 33 -7.370 -2.725 0.120 1.00 0.00 H new ATOM 0 HB2 SER A 33 -4.677 -1.877 -0.999 1.00 0.00 H new ATOM 0 HB3 SER A 33 -5.966 -2.723 -1.833 1.00 0.00 H new ATOM 0 HG SER A 33 -6.063 -0.032 -0.814 1.00 0.00 H new ATOM 541 N LEU A 34 -4.460 -3.308 1.536 1.00 0.00 N ATOM 542 CA LEU A 34 -3.617 -4.388 2.108 1.00 0.00 C ATOM 543 C LEU A 34 -4.448 -5.301 3.007 1.00 0.00 C ATOM 544 O LEU A 34 -4.351 -6.519 2.921 1.00 0.00 O ATOM 545 CB LEU A 34 -2.443 -3.872 2.970 1.00 0.00 C ATOM 546 CG LEU A 34 -1.829 -2.577 2.442 1.00 0.00 C ATOM 547 CD1 LEU A 34 -0.524 -2.271 3.186 1.00 0.00 C ATOM 548 CD2 LEU A 34 -1.523 -2.686 0.950 1.00 0.00 C ATOM 0 H LEU A 34 -4.137 -2.361 1.736 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.216 -4.915 1.242 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.793 -3.710 3.989 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.671 -4.640 3.016 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.551 -1.777 2.604 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.095 -1.346 2.802 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.729 -2.161 4.251 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.181 -3.088 3.035 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.087 -1.751 0.599 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.819 -3.501 0.782 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.445 -2.884 0.403 1.00 0.00 H new ATOM 560 N ARG A 35 -5.263 -4.703 3.873 1.00 0.00 N ATOM 561 CA ARG A 35 -6.108 -5.487 4.776 1.00 0.00 C ATOM 562 C ARG A 35 -7.228 -6.146 3.994 1.00 0.00 C ATOM 563 O ARG A 35 -7.622 -7.277 4.284 1.00 0.00 O ATOM 564 CB ARG A 35 -6.662 -4.614 5.901 1.00 0.00 C ATOM 565 CG ARG A 35 -7.471 -3.446 5.331 1.00 0.00 C ATOM 566 CD ARG A 35 -7.975 -2.550 6.467 1.00 0.00 C ATOM 567 NE ARG A 35 -8.884 -1.528 5.946 1.00 0.00 N ATOM 568 CZ ARG A 35 -9.948 -1.852 5.215 1.00 0.00 C ATOM 569 NH1 ARG A 35 -10.851 -2.657 5.697 1.00 0.00 N ATOM 570 NH2 ARG A 35 -10.084 -1.367 4.018 1.00 0.00 N ATOM 0 H ARG A 35 -5.357 -3.692 3.970 1.00 0.00 H new ATOM 0 HA ARG A 35 -5.500 -6.267 5.235 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -7.293 -5.214 6.557 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -5.842 -4.232 6.509 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -6.853 -2.865 4.646 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -8.315 -3.825 4.755 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -8.488 -3.154 7.215 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -7.130 -2.074 6.966 1.00 0.00 H new ATOM 0 HE ARG A 35 -8.698 -0.546 6.148 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -10.744 -3.040 6.636 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -11.666 -2.904 5.135 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -9.376 -0.738 3.639 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -10.899 -1.615 3.457 1.00 0.00 H new ATOM 584 N ASP A 36 -7.699 -5.442 2.971 1.00 0.00 N ATOM 585 CA ASP A 36 -8.732 -5.966 2.103 1.00 0.00 C ATOM 586 C ASP A 36 -8.161 -7.154 1.342 1.00 0.00 C ATOM 587 O ASP A 36 -8.901 -8.000 0.835 1.00 0.00 O ATOM 588 CB ASP A 36 -9.202 -4.870 1.129 1.00 0.00 C ATOM 589 CG ASP A 36 -9.961 -3.754 1.864 1.00 0.00 C ATOM 590 OD1 ASP A 36 -10.447 -3.993 2.961 1.00 0.00 O ATOM 591 OD2 ASP A 36 -10.051 -2.670 1.311 1.00 0.00 O ATOM 0 H ASP A 36 -7.377 -4.505 2.727 1.00 0.00 H new ATOM 0 HA ASP A 36 -9.593 -6.288 2.689 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -8.341 -4.447 0.612 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -9.846 -5.310 0.368 1.00 0.00 H new ATOM 596 N ASP A 37 -6.821 -7.198 1.280 1.00 0.00 N ATOM 597 CA ASP A 37 -6.117 -8.274 0.586 1.00 0.00 C ATOM 598 C ASP A 37 -4.597 -8.178 0.817 1.00 0.00 C ATOM 599 O ASP A 37 -3.904 -7.430 0.119 1.00 0.00 O ATOM 600 CB ASP A 37 -6.414 -8.194 -0.917 1.00 0.00 C ATOM 601 CG ASP A 37 -6.095 -9.531 -1.599 1.00 0.00 C ATOM 602 OD1 ASP A 37 -5.077 -10.124 -1.271 1.00 0.00 O ATOM 603 OD2 ASP A 37 -6.873 -9.941 -2.443 1.00 0.00 O ATOM 0 H ASP A 37 -6.209 -6.500 1.703 1.00 0.00 H new ATOM 0 HA ASP A 37 -6.466 -9.227 0.983 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -7.462 -7.940 -1.074 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -5.822 -7.398 -1.369 1.00 0.00 H new ATOM 608 N PRO A 38 -4.064 -8.915 1.775 1.00 0.00 N ATOM 609 CA PRO A 38 -2.601 -8.903 2.079 1.00 0.00 C ATOM 610 C PRO A 38 -1.791 -9.597 0.990 1.00 0.00 C ATOM 611 O PRO A 38 -0.669 -9.194 0.685 1.00 0.00 O ATOM 612 CB PRO A 38 -2.464 -9.642 3.415 1.00 0.00 C ATOM 613 CG PRO A 38 -3.840 -10.046 3.837 1.00 0.00 C ATOM 614 CD PRO A 38 -4.787 -9.837 2.657 1.00 0.00 C ATOM 0 HA PRO A 38 -2.215 -7.885 2.129 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -1.822 -10.516 3.308 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -2.004 -8.999 4.165 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -3.849 -11.090 4.150 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -4.164 -9.453 4.693 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -5.010 -10.778 2.153 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -5.739 -9.415 2.980 1.00 0.00 H new ATOM 622 N SER A 39 -2.382 -10.629 0.389 1.00 0.00 N ATOM 623 CA SER A 39 -1.725 -11.363 -0.684 1.00 0.00 C ATOM 624 C SER A 39 -1.486 -10.418 -1.846 1.00 0.00 C ATOM 625 O SER A 39 -0.531 -10.574 -2.611 1.00 0.00 O ATOM 626 CB SER A 39 -2.593 -12.540 -1.136 1.00 0.00 C ATOM 627 OG SER A 39 -1.870 -13.327 -2.074 1.00 0.00 O ATOM 0 H SER A 39 -3.312 -10.973 0.628 1.00 0.00 H new ATOM 0 HA SER A 39 -0.775 -11.758 -0.325 1.00 0.00 H new ATOM 0 HB2 SER A 39 -2.877 -13.148 -0.277 1.00 0.00 H new ATOM 0 HB3 SER A 39 -3.516 -12.174 -1.586 1.00 0.00 H new ATOM 0 HG SER A 39 -2.424 -14.082 -2.363 1.00 0.00 H new ATOM 633 N GLN A 40 -2.368 -9.426 -1.952 1.00 0.00 N ATOM 634 CA GLN A 40 -2.274 -8.429 -2.998 1.00 0.00 C ATOM 635 C GLN A 40 -1.639 -7.149 -2.469 1.00 0.00 C ATOM 636 O GLN A 40 -1.649 -6.134 -3.154 1.00 0.00 O ATOM 637 CB GLN A 40 -3.667 -8.134 -3.570 1.00 0.00 C ATOM 638 CG GLN A 40 -4.227 -9.394 -4.244 1.00 0.00 C ATOM 639 CD GLN A 40 -3.436 -9.716 -5.509 1.00 0.00 C ATOM 640 OE1 GLN A 40 -3.542 -9.006 -6.508 1.00 0.00 O ATOM 641 NE2 GLN A 40 -2.638 -10.748 -5.522 1.00 0.00 N ATOM 0 H GLN A 40 -3.157 -9.297 -1.319 1.00 0.00 H new ATOM 0 HA GLN A 40 -1.640 -8.821 -3.793 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -4.336 -7.808 -2.774 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -3.609 -7.319 -4.292 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -4.179 -10.236 -3.553 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -5.278 -9.245 -4.492 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -2.551 -11.336 -4.693 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -2.101 -10.967 -6.361 1.00 0.00 H new ATOM 650 N SER A 41 -1.058 -7.203 -1.260 1.00 0.00 N ATOM 651 CA SER A 41 -0.405 -6.025 -0.687 1.00 0.00 C ATOM 652 C SER A 41 0.611 -5.522 -1.705 1.00 0.00 C ATOM 653 O SER A 41 0.767 -4.323 -1.910 1.00 0.00 O ATOM 654 CB SER A 41 0.298 -6.381 0.640 1.00 0.00 C ATOM 655 OG SER A 41 1.435 -7.188 0.362 1.00 0.00 O ATOM 0 H SER A 41 -1.029 -8.036 -0.672 1.00 0.00 H new ATOM 0 HA SER A 41 -1.144 -5.254 -0.469 1.00 0.00 H new ATOM 0 HB2 SER A 41 0.600 -5.473 1.161 1.00 0.00 H new ATOM 0 HB3 SER A 41 -0.389 -6.913 1.299 1.00 0.00 H new ATOM 0 HG SER A 41 1.160 -8.126 0.286 1.00 0.00 H new ATOM 661 N ALA A 42 1.258 -6.494 -2.349 1.00 0.00 N ATOM 662 CA ALA A 42 2.243 -6.268 -3.387 1.00 0.00 C ATOM 663 C ALA A 42 1.607 -5.740 -4.681 1.00 0.00 C ATOM 664 O ALA A 42 2.196 -4.912 -5.369 1.00 0.00 O ATOM 665 CB ALA A 42 2.942 -7.586 -3.699 1.00 0.00 C ATOM 0 H ALA A 42 1.102 -7.483 -2.152 1.00 0.00 H new ATOM 0 HA ALA A 42 2.946 -5.519 -3.021 1.00 0.00 H new ATOM 0 HB1 ALA A 42 3.686 -7.427 -4.480 1.00 0.00 H new ATOM 0 HB2 ALA A 42 3.433 -7.959 -2.800 1.00 0.00 H new ATOM 0 HB3 ALA A 42 2.208 -8.315 -4.041 1.00 0.00 H new ATOM 671 N ASN A 43 0.400 -6.230 -5.000 1.00 0.00 N ATOM 672 CA ASN A 43 -0.320 -5.807 -6.201 1.00 0.00 C ATOM 673 C ASN A 43 -0.776 -4.388 -6.010 1.00 0.00 C ATOM 674 O ASN A 43 -0.777 -3.566 -6.917 1.00 0.00 O ATOM 675 CB ASN A 43 -1.541 -6.690 -6.374 1.00 0.00 C ATOM 676 CG ASN A 43 -2.131 -6.526 -7.767 1.00 0.00 C ATOM 677 OD1 ASN A 43 -1.480 -6.834 -8.765 1.00 0.00 O ATOM 678 ND2 ASN A 43 -3.335 -6.058 -7.887 1.00 0.00 N ATOM 0 H ASN A 43 -0.096 -6.922 -4.438 1.00 0.00 H new ATOM 0 HA ASN A 43 0.326 -5.884 -7.076 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -1.268 -7.732 -6.210 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -2.290 -6.435 -5.624 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -3.748 -5.943 -8.813 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -3.869 -5.805 -7.056 1.00 0.00 H new ATOM 685 N LEU A 44 -1.141 -4.143 -4.777 1.00 0.00 N ATOM 686 CA LEU A 44 -1.587 -2.848 -4.332 1.00 0.00 C ATOM 687 C LEU A 44 -0.411 -1.941 -4.341 1.00 0.00 C ATOM 688 O LEU A 44 -0.478 -0.795 -4.738 1.00 0.00 O ATOM 689 CB LEU A 44 -2.156 -3.020 -2.943 1.00 0.00 C ATOM 690 CG LEU A 44 -3.414 -3.849 -3.097 1.00 0.00 C ATOM 691 CD1 LEU A 44 -3.859 -4.448 -1.764 1.00 0.00 C ATOM 692 CD2 LEU A 44 -4.473 -2.942 -3.681 1.00 0.00 C ATOM 0 H LEU A 44 -1.136 -4.850 -4.042 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.357 -2.421 -4.974 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.440 -3.518 -2.289 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.381 -2.053 -2.493 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.233 -4.697 -3.757 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -4.764 -5.036 -1.914 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.070 -5.090 -1.372 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -4.061 -3.646 -1.054 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -5.400 -3.501 -3.809 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.645 -2.103 -3.007 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.138 -2.568 -4.648 1.00 0.00 H new ATOM 704 N LEU A 45 0.686 -2.523 -3.960 1.00 0.00 N ATOM 705 CA LEU A 45 1.941 -1.848 -3.973 1.00 0.00 C ATOM 706 C LEU A 45 2.253 -1.493 -5.408 1.00 0.00 C ATOM 707 O LEU A 45 2.734 -0.408 -5.723 1.00 0.00 O ATOM 708 CB LEU A 45 2.977 -2.843 -3.484 1.00 0.00 C ATOM 709 CG LEU A 45 3.849 -2.250 -2.423 1.00 0.00 C ATOM 710 CD1 LEU A 45 4.479 -3.414 -1.649 1.00 0.00 C ATOM 711 CD2 LEU A 45 4.900 -1.370 -3.110 1.00 0.00 C ATOM 0 H LEU A 45 0.732 -3.487 -3.630 1.00 0.00 H new ATOM 0 HA LEU A 45 1.932 -0.951 -3.353 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.476 -3.728 -3.092 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.593 -3.170 -4.322 1.00 0.00 H new ATOM 0 HG LEU A 45 3.297 -1.625 -1.721 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.125 -3.021 -0.863 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.692 -4.022 -1.202 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.069 -4.027 -2.330 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.550 -0.925 -2.357 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.496 -1.979 -3.790 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.402 -0.580 -3.672 1.00 0.00 H new ATOM 723 N ALA A 46 1.934 -2.455 -6.266 1.00 0.00 N ATOM 724 CA ALA A 46 2.128 -2.325 -7.690 1.00 0.00 C ATOM 725 C ALA A 46 1.259 -1.199 -8.193 1.00 0.00 C ATOM 726 O ALA A 46 1.691 -0.348 -8.971 1.00 0.00 O ATOM 727 CB ALA A 46 1.691 -3.618 -8.380 1.00 0.00 C ATOM 0 H ALA A 46 1.532 -3.349 -5.983 1.00 0.00 H new ATOM 0 HA ALA A 46 3.178 -2.126 -7.903 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.836 -3.523 -9.456 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.287 -4.450 -8.005 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.637 -3.804 -8.171 1.00 0.00 H new ATOM 733 N GLU A 47 0.027 -1.207 -7.696 1.00 0.00 N ATOM 734 CA GLU A 47 -0.940 -0.202 -8.026 1.00 0.00 C ATOM 735 C GLU A 47 -0.447 1.128 -7.513 1.00 0.00 C ATOM 736 O GLU A 47 -0.527 2.128 -8.187 1.00 0.00 O ATOM 737 CB GLU A 47 -2.234 -0.576 -7.325 1.00 0.00 C ATOM 738 CG GLU A 47 -3.058 -1.530 -8.189 1.00 0.00 C ATOM 739 CD GLU A 47 -4.062 -2.288 -7.325 1.00 0.00 C ATOM 740 OE1 GLU A 47 -5.091 -1.716 -7.002 1.00 0.00 O ATOM 741 OE2 GLU A 47 -3.785 -3.431 -6.996 1.00 0.00 O ATOM 0 H GLU A 47 -0.317 -1.919 -7.052 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.096 -0.133 -9.103 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -2.012 -1.045 -6.366 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.812 0.323 -7.114 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -3.583 -0.970 -8.963 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -2.399 -2.234 -8.696 1.00 0.00 H new ATOM 748 N ALA A 48 0.087 1.088 -6.307 1.00 0.00 N ATOM 749 CA ALA A 48 0.625 2.261 -5.646 1.00 0.00 C ATOM 750 C ALA A 48 1.729 2.875 -6.470 1.00 0.00 C ATOM 751 O ALA A 48 1.753 4.079 -6.695 1.00 0.00 O ATOM 752 CB ALA A 48 1.180 1.855 -4.294 1.00 0.00 C ATOM 0 H ALA A 48 0.160 0.234 -5.755 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.172 2.995 -5.524 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.587 2.731 -3.790 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.383 1.425 -3.688 1.00 0.00 H new ATOM 0 HB3 ALA A 48 1.970 1.116 -4.432 1.00 0.00 H new ATOM 758 N LYS A 49 2.623 2.022 -6.935 1.00 0.00 N ATOM 759 CA LYS A 49 3.722 2.465 -7.771 1.00 0.00 C ATOM 760 C LYS A 49 3.149 2.996 -9.075 1.00 0.00 C ATOM 761 O LYS A 49 3.641 3.980 -9.631 1.00 0.00 O ATOM 762 CB LYS A 49 4.691 1.303 -8.025 1.00 0.00 C ATOM 763 CG LYS A 49 5.425 0.964 -6.717 1.00 0.00 C ATOM 764 CD LYS A 49 6.372 -0.223 -6.932 1.00 0.00 C ATOM 765 CE LYS A 49 7.004 -0.634 -5.593 1.00 0.00 C ATOM 766 NZ LYS A 49 6.956 -2.118 -5.453 1.00 0.00 N ATOM 0 H LYS A 49 2.609 1.019 -6.748 1.00 0.00 H new ATOM 0 HA LYS A 49 4.281 3.258 -7.274 1.00 0.00 H new ATOM 0 HB2 LYS A 49 4.146 0.431 -8.387 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.409 1.574 -8.799 1.00 0.00 H new ATOM 0 HG2 LYS A 49 5.989 1.831 -6.373 1.00 0.00 H new ATOM 0 HG3 LYS A 49 4.702 0.725 -5.937 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.825 -1.063 -7.360 1.00 0.00 H new ATOM 0 HD3 LYS A 49 7.151 0.046 -7.645 1.00 0.00 H new ATOM 0 HE2 LYS A 49 8.036 -0.287 -5.545 1.00 0.00 H new ATOM 0 HE3 LYS A 49 6.470 -0.163 -4.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 7.337 -2.392 -4.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 5.971 -2.442 -5.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 7.526 -2.556 -6.204 1.00 0.00 H new ATOM 780 N LYS A 50 2.067 2.352 -9.528 1.00 0.00 N ATOM 781 CA LYS A 50 1.383 2.773 -10.736 1.00 0.00 C ATOM 782 C LYS A 50 0.672 4.093 -10.469 1.00 0.00 C ATOM 783 O LYS A 50 0.618 4.964 -11.321 1.00 0.00 O ATOM 784 CB LYS A 50 0.362 1.702 -11.153 1.00 0.00 C ATOM 785 CG LYS A 50 0.077 1.793 -12.661 1.00 0.00 C ATOM 786 CD LYS A 50 1.065 0.904 -13.436 1.00 0.00 C ATOM 787 CE LYS A 50 0.703 -0.578 -13.251 1.00 0.00 C ATOM 788 NZ LYS A 50 1.386 -1.388 -14.300 1.00 0.00 N ATOM 0 H LYS A 50 1.654 1.539 -9.070 1.00 0.00 H new ATOM 0 HA LYS A 50 2.105 2.904 -11.542 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.744 0.711 -10.908 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.563 1.835 -10.593 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -0.946 1.479 -12.866 1.00 0.00 H new ATOM 0 HG3 LYS A 50 0.166 2.827 -12.995 1.00 0.00 H new ATOM 0 HD2 LYS A 50 1.044 1.162 -14.495 1.00 0.00 H new ATOM 0 HD3 LYS A 50 2.081 1.084 -13.084 1.00 0.00 H new ATOM 0 HE2 LYS A 50 1.005 -0.917 -12.260 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -0.377 -0.711 -13.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 1.143 -2.392 -14.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 1.077 -1.070 -15.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 2.416 -1.269 -14.215 1.00 0.00 H new ATOM 802 N LEU A 51 0.127 4.195 -9.257 1.00 0.00 N ATOM 803 CA LEU A 51 -0.615 5.359 -8.798 1.00 0.00 C ATOM 804 C LEU A 51 0.296 6.545 -8.603 1.00 0.00 C ATOM 805 O LEU A 51 -0.008 7.666 -9.006 1.00 0.00 O ATOM 806 CB LEU A 51 -1.221 5.025 -7.435 1.00 0.00 C ATOM 807 CG LEU A 51 -2.705 4.675 -7.523 1.00 0.00 C ATOM 808 CD1 LEU A 51 -3.498 5.897 -8.015 1.00 0.00 C ATOM 809 CD2 LEU A 51 -2.896 3.453 -8.442 1.00 0.00 C ATOM 0 H LEU A 51 0.192 3.455 -8.558 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.372 5.604 -9.543 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.679 4.187 -6.996 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.091 5.875 -6.765 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.086 4.410 -6.537 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -4.556 5.643 -8.076 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -3.363 6.723 -7.317 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.138 6.192 -9.001 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.956 3.206 -8.503 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.520 3.685 -9.438 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.348 2.603 -8.036 1.00 0.00 H new ATOM 821 N ASN A 52 1.411 6.267 -7.954 1.00 0.00 N ATOM 822 CA ASN A 52 2.395 7.268 -7.654 1.00 0.00 C ATOM 823 C ASN A 52 2.876 7.882 -8.951 1.00 0.00 C ATOM 824 O ASN A 52 2.931 9.104 -9.104 1.00 0.00 O ATOM 825 CB ASN A 52 3.539 6.584 -6.901 1.00 0.00 C ATOM 826 CG ASN A 52 4.516 7.601 -6.331 1.00 0.00 C ATOM 827 OD1 ASN A 52 4.255 8.199 -5.289 1.00 0.00 O ATOM 828 ND2 ASN A 52 5.635 7.825 -6.954 1.00 0.00 N ATOM 0 H ASN A 52 1.653 5.333 -7.622 1.00 0.00 H new ATOM 0 HA ASN A 52 1.985 8.065 -7.034 1.00 0.00 H new ATOM 0 HB2 ASN A 52 3.132 5.976 -6.093 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.067 5.908 -7.574 1.00 0.00 H new ATOM 0 HD21 ASN A 52 6.302 8.500 -6.579 1.00 0.00 H new ATOM 0 HD22 ASN A 52 5.846 7.326 -7.818 1.00 0.00 H new ATOM 835 N ASP A 53 3.190 7.002 -9.888 1.00 0.00 N ATOM 836 CA ASP A 53 3.643 7.403 -11.195 1.00 0.00 C ATOM 837 C ASP A 53 2.512 8.010 -12.032 1.00 0.00 C ATOM 838 O ASP A 53 2.735 8.939 -12.811 1.00 0.00 O ATOM 839 CB ASP A 53 4.222 6.189 -11.928 1.00 0.00 C ATOM 840 CG ASP A 53 4.876 6.625 -13.240 1.00 0.00 C ATOM 841 OD1 ASP A 53 6.025 7.033 -13.200 1.00 0.00 O ATOM 842 OD2 ASP A 53 4.214 6.549 -14.263 1.00 0.00 O ATOM 0 H ASP A 53 3.136 5.992 -9.757 1.00 0.00 H new ATOM 0 HA ASP A 53 4.408 8.168 -11.062 1.00 0.00 H new ATOM 0 HB2 ASP A 53 4.956 5.690 -11.296 1.00 0.00 H new ATOM 0 HB3 ASP A 53 3.431 5.466 -12.130 1.00 0.00 H new ATOM 847 N ALA A 54 1.319 7.424 -11.911 1.00 0.00 N ATOM 848 CA ALA A 54 0.163 7.850 -12.712 1.00 0.00 C ATOM 849 C ALA A 54 -0.443 9.172 -12.292 1.00 0.00 C ATOM 850 O ALA A 54 -0.856 9.965 -13.143 1.00 0.00 O ATOM 851 CB ALA A 54 -0.935 6.821 -12.560 1.00 0.00 C ATOM 0 H ALA A 54 1.126 6.655 -11.269 1.00 0.00 H new ATOM 0 HA ALA A 54 0.538 7.957 -13.730 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.801 7.123 -13.149 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.577 5.853 -12.911 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -1.219 6.744 -11.510 1.00 0.00 H new ATOM 857 N GLN A 55 -0.537 9.393 -10.992 1.00 0.00 N ATOM 858 CA GLN A 55 -1.146 10.609 -10.502 1.00 0.00 C ATOM 859 C GLN A 55 -0.203 11.766 -10.627 1.00 0.00 C ATOM 860 O GLN A 55 -0.588 12.834 -11.108 1.00 0.00 O ATOM 861 CB GLN A 55 -1.521 10.462 -9.038 1.00 0.00 C ATOM 862 CG GLN A 55 -2.698 9.503 -8.864 1.00 0.00 C ATOM 863 CD GLN A 55 -3.123 9.499 -7.400 1.00 0.00 C ATOM 864 OE1 GLN A 55 -4.081 8.825 -7.030 1.00 0.00 O ATOM 865 NE2 GLN A 55 -2.475 10.244 -6.543 1.00 0.00 N ATOM 0 H GLN A 55 -0.204 8.755 -10.269 1.00 0.00 H new ATOM 0 HA GLN A 55 -2.037 10.793 -11.102 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -0.663 10.095 -8.475 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -1.779 11.438 -8.626 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.531 9.810 -9.497 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.414 8.498 -9.176 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -1.680 10.803 -6.852 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -2.765 10.266 -5.565 1.00 0.00 H new ATOM 874 N ALA A 56 1.027 11.535 -10.160 1.00 0.00 N ATOM 875 CA ALA A 56 2.066 12.572 -10.165 1.00 0.00 C ATOM 876 C ALA A 56 1.407 13.950 -9.949 1.00 0.00 C ATOM 877 O ALA A 56 1.491 14.830 -10.809 1.00 0.00 O ATOM 878 CB ALA A 56 2.829 12.527 -11.491 1.00 0.00 C ATOM 0 H ALA A 56 1.329 10.641 -9.774 1.00 0.00 H new ATOM 0 HA ALA A 56 2.777 12.396 -9.358 1.00 0.00 H new ATOM 0 HB1 ALA A 56 3.600 13.297 -11.493 1.00 0.00 H new ATOM 0 HB2 ALA A 56 3.294 11.548 -11.610 1.00 0.00 H new ATOM 0 HB3 ALA A 56 2.137 12.703 -12.315 1.00 0.00 H new