USER MOD reduce.3.24.130724 H: found=0, std=0, add=971, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 973 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.0605 K(o=-0.061,f=-1.7!) USER MOD Single : A 13 ASN : amide:sc= -6.9 K(o=-6.9,f=-12!) USER MOD Single : A 15 ASN : amide:sc= -2.05 K(o=-2.1,f=-6.8!) USER MOD Single : A 16 ASN : amide:sc= -3.61! C(o=-3.6!,f=-3.5!) USER MOD Single : A 21 THR OG1 : rot 3:sc= 2.07 USER MOD Single : A 31 ASN : amide:sc= -2.44 K(o=-2.4,f=-3.7!) USER MOD Single : A 32 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.391) USER MOD Single : A 39 LYS NZ :NH3+ -107:sc= -1.06 (180deg=-2.89!) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.00392 USER MOD Single : A 48 GLN : amide:sc= -0.302 X(o=-0.3,f=-0.25) USER MOD Single : A 55 GLN : amide:sc= -0.031 X(o=-0.031,f=-0.26) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.124 USER MOD Single : A 63 GLN : amide:sc= -1.86 K(o=-1.9,f=-7.9!) USER MOD Single : A 64 HIS : no HD1:sc= -21.4! C(o=-21!,f=-24!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0393) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 HIS :FLIP no HD1:sc= -0.332 F(o=-1.3,f=-0.33) USER MOD Single : A 81 THR OG1 : rot -135:sc= -1.56 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= -0.453 X(o=-0.45,f=-0.1) USER MOD Single : A 105 MET CE :methyl 177:sc= 0 (180deg=-0.00562) USER MOD Single : A 106 SER OG : rot 32:sc= 0.54 USER MOD Single : A 111 ASN : amide:sc= -0.0056 X(o=-0.0056,f=-0.095) USER MOD Single : A 119 ASN : amide:sc= -1.67 K(o=-1.7,f=-2.4!) USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 LYS NZ :NH3+ -155:sc= -0.379 (180deg=-1.39!) USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 -21.859 -6.546 -4.277 1.00 0.00 N ATOM 21 CA LYS A 2 -20.861 -5.535 -4.608 1.00 0.00 C ATOM 22 C LYS A 2 -19.549 -5.806 -3.879 1.00 0.00 C ATOM 23 O LYS A 2 -19.424 -5.540 -2.685 1.00 0.00 O ATOM 24 CB LYS A 2 -21.378 -4.141 -4.249 1.00 0.00 C ATOM 25 CG LYS A 2 -20.639 -3.017 -4.958 1.00 0.00 C ATOM 26 CD LYS A 2 -21.520 -1.790 -5.125 1.00 0.00 C ATOM 27 CE LYS A 2 -22.120 -1.722 -6.521 1.00 0.00 C ATOM 28 NZ LYS A 2 -23.451 -1.056 -6.521 1.00 0.00 N ATOM 0 HA LYS A 2 -20.676 -5.581 -5.681 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -22.438 -4.081 -4.497 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -21.294 -3.997 -3.172 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -19.747 -2.751 -4.390 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -20.303 -3.361 -5.936 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -22.320 -1.811 -4.385 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -20.934 -0.891 -4.935 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -21.443 -1.180 -7.181 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -22.218 -2.730 -6.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -23.826 -1.030 -7.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -24.105 -1.587 -5.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -23.353 -0.085 -6.161 1.00 0.00 H new ATOM 42 N LYS A 3 -18.573 -6.338 -4.608 1.00 0.00 N ATOM 43 CA LYS A 3 -17.268 -6.647 -4.033 1.00 0.00 C ATOM 44 C LYS A 3 -16.161 -5.891 -4.760 1.00 0.00 C ATOM 45 O LYS A 3 -16.217 -5.705 -5.975 1.00 0.00 O ATOM 46 CB LYS A 3 -17.002 -8.152 -4.099 1.00 0.00 C ATOM 47 CG LYS A 3 -16.928 -8.695 -5.518 1.00 0.00 C ATOM 48 CD LYS A 3 -18.265 -9.259 -5.970 1.00 0.00 C ATOM 49 CE LYS A 3 -18.290 -10.776 -5.881 1.00 0.00 C ATOM 50 NZ LYS A 3 -18.011 -11.414 -7.197 1.00 0.00 N ATOM 0 H LYS A 3 -18.661 -6.564 -5.599 1.00 0.00 H new ATOM 0 HA LYS A 3 -17.274 -6.332 -2.990 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -16.065 -8.370 -3.586 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -17.791 -8.676 -3.559 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -16.619 -7.900 -6.197 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -16.167 -9.473 -5.571 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -19.063 -8.844 -5.354 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -18.462 -8.951 -6.997 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -17.551 -11.109 -5.152 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -19.265 -11.102 -5.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -18.037 -12.449 -7.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -18.731 -11.117 -7.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -17.070 -11.123 -7.531 1.00 0.00 H new ATOM 64 N LEU A 4 -15.156 -5.456 -4.006 1.00 0.00 N ATOM 65 CA LEU A 4 -14.035 -4.720 -4.580 1.00 0.00 C ATOM 66 C LEU A 4 -12.723 -5.120 -3.912 1.00 0.00 C ATOM 67 O LEU A 4 -12.654 -5.273 -2.693 1.00 0.00 O ATOM 68 CB LEU A 4 -14.261 -3.213 -4.438 1.00 0.00 C ATOM 69 CG LEU A 4 -14.813 -2.767 -3.084 1.00 0.00 C ATOM 70 CD1 LEU A 4 -13.682 -2.560 -2.090 1.00 0.00 C ATOM 71 CD2 LEU A 4 -15.634 -1.494 -3.238 1.00 0.00 C ATOM 0 H LEU A 4 -15.095 -5.600 -2.998 1.00 0.00 H new ATOM 0 HA LEU A 4 -13.971 -4.970 -5.639 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -13.315 -2.701 -4.614 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -14.949 -2.889 -5.219 1.00 0.00 H new ATOM 0 HG LEU A 4 -15.465 -3.551 -2.700 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -14.093 -2.243 -1.132 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -13.137 -3.495 -1.959 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -13.004 -1.794 -2.465 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -16.020 -1.190 -2.265 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -15.004 -0.702 -3.642 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -16.467 -1.678 -3.917 1.00 0.00 H new ATOM 83 N GLN A 5 -11.688 -5.302 -4.724 1.00 0.00 N ATOM 84 CA GLN A 5 -10.378 -5.700 -4.224 1.00 0.00 C ATOM 85 C GLN A 5 -9.400 -4.534 -4.167 1.00 0.00 C ATOM 86 O GLN A 5 -9.484 -3.587 -4.948 1.00 0.00 O ATOM 87 CB GLN A 5 -9.789 -6.795 -5.104 1.00 0.00 C ATOM 88 CG GLN A 5 -10.722 -7.972 -5.287 1.00 0.00 C ATOM 89 CD GLN A 5 -10.011 -9.218 -5.777 1.00 0.00 C ATOM 90 OE1 GLN A 5 -8.794 -9.348 -5.637 1.00 0.00 O ATOM 91 NE2 GLN A 5 -10.768 -10.141 -6.358 1.00 0.00 N ATOM 0 H GLN A 5 -11.732 -5.180 -5.736 1.00 0.00 H new ATOM 0 HA GLN A 5 -10.528 -6.068 -3.209 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -9.545 -6.377 -6.080 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -8.855 -7.144 -4.664 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -11.214 -8.190 -4.339 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -11.503 -7.703 -5.998 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -11.772 -9.991 -6.453 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -10.345 -11.000 -6.710 1.00 0.00 H new ATOM 100 N ILE A 6 -8.461 -4.638 -3.239 1.00 0.00 N ATOM 101 CA ILE A 6 -7.429 -3.634 -3.049 1.00 0.00 C ATOM 102 C ILE A 6 -6.111 -4.319 -2.699 1.00 0.00 C ATOM 103 O ILE A 6 -6.058 -5.141 -1.788 1.00 0.00 O ATOM 104 CB ILE A 6 -7.786 -2.623 -1.932 1.00 0.00 C ATOM 105 CG1 ILE A 6 -9.212 -2.844 -1.406 1.00 0.00 C ATOM 106 CG2 ILE A 6 -7.625 -1.205 -2.449 1.00 0.00 C ATOM 107 CD1 ILE A 6 -10.299 -2.393 -2.360 1.00 0.00 C ATOM 0 H ILE A 6 -8.394 -5.426 -2.594 1.00 0.00 H new ATOM 0 HA ILE A 6 -7.341 -3.079 -3.983 1.00 0.00 H new ATOM 0 HB ILE A 6 -7.101 -2.782 -1.099 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -9.349 -3.904 -1.191 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -9.327 -2.310 -0.463 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -7.878 -0.499 -1.658 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -6.593 -1.046 -2.761 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -8.289 -1.050 -3.300 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -11.276 -2.583 -1.915 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -10.191 -1.326 -2.556 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -10.213 -2.945 -3.296 1.00 0.00 H new ATOM 119 N ALA A 7 -5.050 -3.985 -3.423 1.00 0.00 N ATOM 120 CA ALA A 7 -3.746 -4.587 -3.168 1.00 0.00 C ATOM 121 C ALA A 7 -2.710 -3.511 -2.916 1.00 0.00 C ATOM 122 O ALA A 7 -2.539 -2.620 -3.736 1.00 0.00 O ATOM 123 CB ALA A 7 -3.322 -5.461 -4.338 1.00 0.00 C ATOM 0 H ALA A 7 -5.065 -3.307 -4.185 1.00 0.00 H new ATOM 0 HA ALA A 7 -3.825 -5.213 -2.279 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -2.347 -5.901 -4.129 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -4.055 -6.255 -4.483 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -3.260 -4.854 -5.242 1.00 0.00 H new ATOM 129 N VAL A 8 -2.023 -3.592 -1.785 1.00 0.00 N ATOM 130 CA VAL A 8 -1.014 -2.598 -1.449 1.00 0.00 C ATOM 131 C VAL A 8 0.364 -3.219 -1.260 1.00 0.00 C ATOM 132 O VAL A 8 0.502 -4.425 -1.058 1.00 0.00 O ATOM 133 CB VAL A 8 -1.394 -1.792 -0.180 1.00 0.00 C ATOM 134 CG1 VAL A 8 -2.867 -1.971 0.163 1.00 0.00 C ATOM 135 CG2 VAL A 8 -0.517 -2.180 1.003 1.00 0.00 C ATOM 0 H VAL A 8 -2.144 -4.329 -1.090 1.00 0.00 H new ATOM 0 HA VAL A 8 -0.974 -1.917 -2.299 1.00 0.00 H new ATOM 0 HB VAL A 8 -1.221 -0.738 -0.397 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -3.105 -1.395 1.057 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -3.479 -1.621 -0.668 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -3.072 -3.026 0.346 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.808 -1.598 1.878 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.642 -3.242 1.216 1.00 0.00 H new ATOM 0 HG23 VAL A 8 0.527 -1.978 0.763 1.00 0.00 H new ATOM 145 N GLY A 9 1.374 -2.364 -1.317 1.00 0.00 N ATOM 146 CA GLY A 9 2.740 -2.801 -1.143 1.00 0.00 C ATOM 147 C GLY A 9 3.606 -1.704 -0.557 1.00 0.00 C ATOM 148 O GLY A 9 3.841 -0.682 -1.201 1.00 0.00 O ATOM 0 H GLY A 9 1.267 -1.363 -1.483 1.00 0.00 H new ATOM 0 HA2 GLY A 9 2.763 -3.672 -0.489 1.00 0.00 H new ATOM 0 HA3 GLY A 9 3.148 -3.113 -2.104 1.00 0.00 H new ATOM 152 N ILE A 10 4.079 -1.912 0.664 1.00 0.00 N ATOM 153 CA ILE A 10 4.922 -0.920 1.328 1.00 0.00 C ATOM 154 C ILE A 10 6.293 -0.871 0.662 1.00 0.00 C ATOM 155 O ILE A 10 7.129 -1.744 0.888 1.00 0.00 O ATOM 156 CB ILE A 10 5.097 -1.204 2.843 1.00 0.00 C ATOM 157 CG1 ILE A 10 4.017 -2.164 3.362 1.00 0.00 C ATOM 158 CG2 ILE A 10 5.061 0.100 3.625 1.00 0.00 C ATOM 159 CD1 ILE A 10 4.008 -2.316 4.869 1.00 0.00 C ATOM 0 H ILE A 10 3.897 -2.751 1.214 1.00 0.00 H new ATOM 0 HA ILE A 10 4.418 0.041 1.229 1.00 0.00 H new ATOM 0 HB ILE A 10 6.066 -1.683 2.986 1.00 0.00 H new ATOM 0 HG12 ILE A 10 3.040 -1.807 3.036 1.00 0.00 H new ATOM 0 HG13 ILE A 10 4.166 -3.144 2.908 1.00 0.00 H new ATOM 0 HG21 ILE A 10 5.185 -0.109 4.688 1.00 0.00 H new ATOM 0 HG22 ILE A 10 5.868 0.749 3.287 1.00 0.00 H new ATOM 0 HG23 ILE A 10 4.104 0.596 3.462 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.219 -3.009 5.160 1.00 0.00 H new ATOM 0 HD12 ILE A 10 4.971 -2.703 5.201 1.00 0.00 H new ATOM 0 HD13 ILE A 10 3.827 -1.346 5.331 1.00 0.00 H new ATOM 171 N ILE A 11 6.508 0.141 -0.178 1.00 0.00 N ATOM 172 CA ILE A 11 7.771 0.279 -0.903 1.00 0.00 C ATOM 173 C ILE A 11 8.913 0.686 0.017 1.00 0.00 C ATOM 174 O ILE A 11 8.870 1.741 0.646 1.00 0.00 O ATOM 175 CB ILE A 11 7.684 1.302 -2.052 1.00 0.00 C ATOM 176 CG1 ILE A 11 6.275 1.335 -2.654 1.00 0.00 C ATOM 177 CG2 ILE A 11 8.716 0.968 -3.121 1.00 0.00 C ATOM 178 CD1 ILE A 11 6.218 2.004 -4.010 1.00 0.00 C ATOM 0 H ILE A 11 5.827 0.875 -0.373 1.00 0.00 H new ATOM 0 HA ILE A 11 7.971 -0.708 -1.321 1.00 0.00 H new ATOM 0 HB ILE A 11 7.897 2.293 -1.651 1.00 0.00 H new ATOM 0 HG12 ILE A 11 5.902 0.315 -2.744 1.00 0.00 H new ATOM 0 HG13 ILE A 11 5.607 1.859 -1.970 1.00 0.00 H new ATOM 0 HG21 ILE A 11 8.650 1.695 -3.931 1.00 0.00 H new ATOM 0 HG22 ILE A 11 9.715 1.000 -2.685 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.523 -0.031 -3.513 1.00 0.00 H new ATOM 0 HD11 ILE A 11 5.192 1.993 -4.378 1.00 0.00 H new ATOM 0 HD12 ILE A 11 6.561 3.035 -3.922 1.00 0.00 H new ATOM 0 HD13 ILE A 11 6.860 1.467 -4.708 1.00 0.00 H new ATOM 190 N ARG A 12 9.931 -0.170 0.077 1.00 0.00 N ATOM 191 CA ARG A 12 11.113 0.060 0.908 1.00 0.00 C ATOM 192 C ARG A 12 12.288 0.555 0.072 1.00 0.00 C ATOM 193 O ARG A 12 12.395 0.226 -1.112 1.00 0.00 O ATOM 194 CB ARG A 12 11.513 -1.234 1.618 1.00 0.00 C ATOM 195 CG ARG A 12 11.064 -1.289 3.064 1.00 0.00 C ATOM 196 CD ARG A 12 12.236 -1.495 4.011 1.00 0.00 C ATOM 197 NE ARG A 12 11.916 -2.437 5.081 1.00 0.00 N ATOM 198 CZ ARG A 12 12.833 -3.064 5.816 1.00 0.00 C ATOM 199 NH1 ARG A 12 14.125 -2.850 5.601 1.00 0.00 N ATOM 200 NH2 ARG A 12 12.455 -3.906 6.769 1.00 0.00 N ATOM 0 H ARG A 12 9.961 -1.043 -0.449 1.00 0.00 H new ATOM 0 HA ARG A 12 10.860 0.825 1.643 1.00 0.00 H new ATOM 0 HB2 ARG A 12 11.088 -2.081 1.080 1.00 0.00 H new ATOM 0 HB3 ARG A 12 12.597 -1.342 1.577 1.00 0.00 H new ATOM 0 HG2 ARG A 12 10.548 -0.364 3.320 1.00 0.00 H new ATOM 0 HG3 ARG A 12 10.347 -2.100 3.191 1.00 0.00 H new ATOM 0 HD2 ARG A 12 13.095 -1.862 3.450 1.00 0.00 H new ATOM 0 HD3 ARG A 12 12.524 -0.538 4.445 1.00 0.00 H new ATOM 0 HE ARG A 12 10.933 -2.626 5.277 1.00 0.00 H new ATOM 0 HH11 ARG A 12 14.420 -2.203 4.870 1.00 0.00 H new ATOM 0 HH12 ARG A 12 14.823 -3.333 6.167 1.00 0.00 H new ATOM 0 HH21 ARG A 12 11.463 -4.073 6.938 1.00 0.00 H new ATOM 0 HH22 ARG A 12 13.156 -4.387 7.332 1.00 0.00 H new ATOM 214 N ASN A 13 13.172 1.343 0.691 1.00 0.00 N ATOM 215 CA ASN A 13 14.340 1.871 -0.025 1.00 0.00 C ATOM 216 C ASN A 13 15.671 1.465 0.614 1.00 0.00 C ATOM 217 O ASN A 13 15.724 0.655 1.541 1.00 0.00 O ATOM 218 CB ASN A 13 14.270 3.395 -0.148 1.00 0.00 C ATOM 219 CG ASN A 13 14.035 4.092 1.175 1.00 0.00 C ATOM 220 OD1 ASN A 13 12.946 4.024 1.744 1.00 0.00 O ATOM 221 ND2 ASN A 13 15.059 4.781 1.667 1.00 0.00 N ATOM 0 H ASN A 13 13.105 1.626 1.669 1.00 0.00 H new ATOM 0 HA ASN A 13 14.306 1.424 -1.019 1.00 0.00 H new ATOM 0 HB2 ASN A 13 15.200 3.761 -0.583 1.00 0.00 H new ATOM 0 HB3 ASN A 13 13.469 3.661 -0.838 1.00 0.00 H new ATOM 0 HD21 ASN A 13 14.960 5.281 2.551 1.00 0.00 H new ATOM 0 HD22 ASN A 13 15.944 4.810 1.161 1.00 0.00 H new ATOM 228 N GLU A 14 16.744 2.031 0.063 1.00 0.00 N ATOM 229 CA GLU A 14 18.119 1.765 0.488 1.00 0.00 C ATOM 230 C GLU A 14 18.371 2.036 1.968 1.00 0.00 C ATOM 231 O GLU A 14 19.285 1.465 2.562 1.00 0.00 O ATOM 232 CB GLU A 14 19.061 2.633 -0.346 1.00 0.00 C ATOM 233 CG GLU A 14 20.525 2.515 0.051 1.00 0.00 C ATOM 234 CD GLU A 14 20.968 3.625 0.984 1.00 0.00 C ATOM 235 OE1 GLU A 14 20.687 4.803 0.681 1.00 0.00 O ATOM 236 OE2 GLU A 14 21.594 3.315 2.019 1.00 0.00 O ATOM 0 H GLU A 14 16.682 2.699 -0.705 1.00 0.00 H new ATOM 0 HA GLU A 14 18.300 0.701 0.334 1.00 0.00 H new ATOM 0 HB2 GLU A 14 18.957 2.359 -1.396 1.00 0.00 H new ATOM 0 HB3 GLU A 14 18.754 3.675 -0.256 1.00 0.00 H new ATOM 0 HG2 GLU A 14 20.690 1.552 0.534 1.00 0.00 H new ATOM 0 HG3 GLU A 14 21.143 2.531 -0.846 1.00 0.00 H new ATOM 243 N ASN A 15 17.588 2.918 2.544 1.00 0.00 N ATOM 244 CA ASN A 15 17.757 3.280 3.948 1.00 0.00 C ATOM 245 C ASN A 15 16.781 2.520 4.832 1.00 0.00 C ATOM 246 O ASN A 15 16.330 3.032 5.855 1.00 0.00 O ATOM 247 CB ASN A 15 17.569 4.788 4.130 1.00 0.00 C ATOM 248 CG ASN A 15 17.882 5.246 5.541 1.00 0.00 C ATOM 249 OD1 ASN A 15 17.079 5.926 6.179 1.00 0.00 O ATOM 250 ND2 ASN A 15 19.058 4.875 6.035 1.00 0.00 N ATOM 0 H ASN A 15 16.826 3.403 2.070 1.00 0.00 H new ATOM 0 HA ASN A 15 18.769 3.007 4.248 1.00 0.00 H new ATOM 0 HB2 ASN A 15 18.213 5.318 3.428 1.00 0.00 H new ATOM 0 HB3 ASN A 15 16.541 5.055 3.884 1.00 0.00 H new ATOM 0 HD21 ASN A 15 19.326 5.154 6.979 1.00 0.00 H new ATOM 0 HD22 ASN A 15 19.693 4.311 5.471 1.00 0.00 H new ATOM 257 N ASN A 16 16.445 1.302 4.419 1.00 0.00 N ATOM 258 CA ASN A 16 15.504 0.470 5.166 1.00 0.00 C ATOM 259 C ASN A 16 14.245 1.263 5.510 1.00 0.00 C ATOM 260 O ASN A 16 13.519 0.931 6.446 1.00 0.00 O ATOM 261 CB ASN A 16 16.157 -0.085 6.439 1.00 0.00 C ATOM 262 CG ASN A 16 16.345 0.965 7.518 1.00 0.00 C ATOM 263 OD1 ASN A 16 15.377 1.547 8.009 1.00 0.00 O ATOM 264 ND2 ASN A 16 17.595 1.213 7.892 1.00 0.00 N ATOM 0 H ASN A 16 16.810 0.868 3.571 1.00 0.00 H new ATOM 0 HA ASN A 16 15.220 -0.373 4.536 1.00 0.00 H new ATOM 0 HB2 ASN A 16 15.542 -0.895 6.832 1.00 0.00 H new ATOM 0 HB3 ASN A 16 17.126 -0.514 6.185 1.00 0.00 H new ATOM 0 HD21 ASN A 16 17.783 1.910 8.613 1.00 0.00 H new ATOM 0 HD22 ASN A 16 18.367 0.707 7.458 1.00 0.00 H new ATOM 271 N GLU A 17 13.992 2.306 4.724 1.00 0.00 N ATOM 272 CA GLU A 17 12.827 3.149 4.907 1.00 0.00 C ATOM 273 C GLU A 17 11.771 2.760 3.892 1.00 0.00 C ATOM 274 O GLU A 17 12.076 2.104 2.899 1.00 0.00 O ATOM 275 CB GLU A 17 13.199 4.623 4.749 1.00 0.00 C ATOM 276 CG GLU A 17 14.253 5.096 5.738 1.00 0.00 C ATOM 277 CD GLU A 17 14.161 6.582 6.023 1.00 0.00 C ATOM 278 OE1 GLU A 17 14.176 7.374 5.057 1.00 0.00 O ATOM 279 OE2 GLU A 17 14.076 6.955 7.212 1.00 0.00 O ATOM 0 H GLU A 17 14.590 2.585 3.946 1.00 0.00 H new ATOM 0 HA GLU A 17 12.435 3.008 5.914 1.00 0.00 H new ATOM 0 HB2 GLU A 17 13.563 4.790 3.735 1.00 0.00 H new ATOM 0 HB3 GLU A 17 12.302 5.230 4.869 1.00 0.00 H new ATOM 0 HG2 GLU A 17 14.144 4.544 6.671 1.00 0.00 H new ATOM 0 HG3 GLU A 17 15.243 4.866 5.345 1.00 0.00 H new ATOM 286 N ILE A 18 10.530 3.131 4.146 1.00 0.00 N ATOM 287 CA ILE A 18 9.452 2.776 3.242 1.00 0.00 C ATOM 288 C ILE A 18 8.672 4.006 2.771 1.00 0.00 C ATOM 289 O ILE A 18 8.084 4.733 3.570 1.00 0.00 O ATOM 290 CB ILE A 18 8.523 1.741 3.921 1.00 0.00 C ATOM 291 CG1 ILE A 18 8.307 0.528 3.020 1.00 0.00 C ATOM 292 CG2 ILE A 18 7.187 2.351 4.322 1.00 0.00 C ATOM 293 CD1 ILE A 18 8.197 -0.773 3.785 1.00 0.00 C ATOM 0 H ILE A 18 10.245 3.673 4.962 1.00 0.00 H new ATOM 0 HA ILE A 18 9.886 2.327 2.349 1.00 0.00 H new ATOM 0 HB ILE A 18 9.022 1.414 4.833 1.00 0.00 H new ATOM 0 HG12 ILE A 18 7.399 0.676 2.435 1.00 0.00 H new ATOM 0 HG13 ILE A 18 9.134 0.457 2.313 1.00 0.00 H new ATOM 0 HG21 ILE A 18 6.567 1.590 4.795 1.00 0.00 H new ATOM 0 HG22 ILE A 18 7.356 3.168 5.023 1.00 0.00 H new ATOM 0 HG23 ILE A 18 6.681 2.733 3.435 1.00 0.00 H new ATOM 0 HD11 ILE A 18 8.044 -1.595 3.085 1.00 0.00 H new ATOM 0 HD12 ILE A 18 9.114 -0.942 4.349 1.00 0.00 H new ATOM 0 HD13 ILE A 18 7.353 -0.720 4.473 1.00 0.00 H new ATOM 305 N PHE A 19 8.683 4.230 1.459 1.00 0.00 N ATOM 306 CA PHE A 19 7.984 5.361 0.860 1.00 0.00 C ATOM 307 C PHE A 19 6.472 5.198 1.012 1.00 0.00 C ATOM 308 O PHE A 19 5.840 4.459 0.258 1.00 0.00 O ATOM 309 CB PHE A 19 8.372 5.475 -0.621 1.00 0.00 C ATOM 310 CG PHE A 19 7.455 6.334 -1.450 1.00 0.00 C ATOM 311 CD1 PHE A 19 6.332 5.791 -2.056 1.00 0.00 C ATOM 312 CD2 PHE A 19 7.722 7.681 -1.633 1.00 0.00 C ATOM 313 CE1 PHE A 19 5.494 6.575 -2.827 1.00 0.00 C ATOM 314 CE2 PHE A 19 6.887 8.471 -2.401 1.00 0.00 C ATOM 315 CZ PHE A 19 5.773 7.917 -2.999 1.00 0.00 C ATOM 0 H PHE A 19 9.172 3.638 0.788 1.00 0.00 H new ATOM 0 HA PHE A 19 8.275 6.276 1.375 1.00 0.00 H new ATOM 0 HB2 PHE A 19 9.383 5.878 -0.687 1.00 0.00 H new ATOM 0 HB3 PHE A 19 8.399 4.475 -1.053 1.00 0.00 H new ATOM 0 HD1 PHE A 19 6.109 4.742 -1.924 1.00 0.00 H new ATOM 0 HD2 PHE A 19 8.594 8.120 -1.170 1.00 0.00 H new ATOM 0 HE1 PHE A 19 4.623 6.139 -3.294 1.00 0.00 H new ATOM 0 HE2 PHE A 19 7.106 9.520 -2.533 1.00 0.00 H new ATOM 0 HZ PHE A 19 5.120 8.532 -3.601 1.00 0.00 H new ATOM 325 N ILE A 20 5.899 5.894 1.989 1.00 0.00 N ATOM 326 CA ILE A 20 4.463 5.826 2.233 1.00 0.00 C ATOM 327 C ILE A 20 3.789 7.132 1.827 1.00 0.00 C ATOM 328 O ILE A 20 4.148 8.204 2.314 1.00 0.00 O ATOM 329 CB ILE A 20 4.130 5.527 3.716 1.00 0.00 C ATOM 330 CG1 ILE A 20 5.395 5.504 4.577 1.00 0.00 C ATOM 331 CG2 ILE A 20 3.386 4.208 3.836 1.00 0.00 C ATOM 332 CD1 ILE A 20 5.115 5.363 6.058 1.00 0.00 C ATOM 0 H ILE A 20 6.406 6.511 2.624 1.00 0.00 H new ATOM 0 HA ILE A 20 4.083 5.004 1.627 1.00 0.00 H new ATOM 0 HB ILE A 20 3.489 6.329 4.083 1.00 0.00 H new ATOM 0 HG12 ILE A 20 6.029 4.678 4.255 1.00 0.00 H new ATOM 0 HG13 ILE A 20 5.957 6.422 4.407 1.00 0.00 H new ATOM 0 HG21 ILE A 20 3.159 4.012 4.884 1.00 0.00 H new ATOM 0 HG22 ILE A 20 2.457 4.261 3.268 1.00 0.00 H new ATOM 0 HG23 ILE A 20 4.007 3.403 3.443 1.00 0.00 H new ATOM 0 HD11 ILE A 20 6.057 5.354 6.607 1.00 0.00 H new ATOM 0 HD12 ILE A 20 4.507 6.202 6.395 1.00 0.00 H new ATOM 0 HD13 ILE A 20 4.580 4.431 6.240 1.00 0.00 H new ATOM 344 N THR A 21 2.815 7.037 0.930 1.00 0.00 N ATOM 345 CA THR A 21 2.096 8.211 0.456 1.00 0.00 C ATOM 346 C THR A 21 1.186 8.772 1.544 1.00 0.00 C ATOM 347 O THR A 21 0.190 8.152 1.915 1.00 0.00 O ATOM 348 CB THR A 21 1.269 7.857 -0.780 1.00 0.00 C ATOM 349 OG1 THR A 21 0.155 7.057 -0.425 1.00 0.00 O ATOM 350 CG2 THR A 21 2.058 7.107 -1.830 1.00 0.00 C ATOM 0 H THR A 21 2.505 6.158 0.516 1.00 0.00 H new ATOM 0 HA THR A 21 2.829 8.974 0.194 1.00 0.00 H new ATOM 0 HB THR A 21 0.951 8.811 -1.200 1.00 0.00 H new ATOM 0 HG1 THR A 21 0.127 6.949 0.549 1.00 0.00 H new ATOM 0 HG21 THR A 21 1.413 6.886 -2.681 1.00 0.00 H new ATOM 0 HG22 THR A 21 2.898 7.719 -2.160 1.00 0.00 H new ATOM 0 HG23 THR A 21 2.433 6.175 -1.407 1.00 0.00 H new ATOM 358 N ARG A 22 1.523 9.955 2.044 1.00 0.00 N ATOM 359 CA ARG A 22 0.725 10.593 3.078 1.00 0.00 C ATOM 360 C ARG A 22 -0.225 11.596 2.447 1.00 0.00 C ATOM 361 O ARG A 22 -0.070 11.950 1.280 1.00 0.00 O ATOM 362 CB ARG A 22 1.629 11.293 4.096 1.00 0.00 C ATOM 363 CG ARG A 22 0.920 11.672 5.386 1.00 0.00 C ATOM 364 CD ARG A 22 0.587 13.156 5.427 1.00 0.00 C ATOM 365 NE ARG A 22 0.623 13.688 6.788 1.00 0.00 N ATOM 366 CZ ARG A 22 1.728 13.761 7.526 1.00 0.00 C ATOM 367 NH1 ARG A 22 2.888 13.338 7.041 1.00 0.00 N ATOM 368 NH2 ARG A 22 1.671 14.257 8.754 1.00 0.00 N ATOM 0 H ARG A 22 2.341 10.489 1.750 1.00 0.00 H new ATOM 0 HA ARG A 22 0.147 9.829 3.598 1.00 0.00 H new ATOM 0 HB2 ARG A 22 2.469 10.640 4.332 1.00 0.00 H new ATOM 0 HB3 ARG A 22 2.043 12.193 3.642 1.00 0.00 H new ATOM 0 HG2 ARG A 22 0.003 11.090 5.483 1.00 0.00 H new ATOM 0 HG3 ARG A 22 1.551 11.416 6.237 1.00 0.00 H new ATOM 0 HD2 ARG A 22 1.295 13.704 4.805 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -0.403 13.317 5.001 1.00 0.00 H new ATOM 0 HE ARG A 22 -0.250 14.023 7.196 1.00 0.00 H new ATOM 0 HH11 ARG A 22 2.937 12.954 6.097 1.00 0.00 H new ATOM 0 HH12 ARG A 22 3.731 13.397 7.612 1.00 0.00 H new ATOM 0 HH21 ARG A 22 0.781 14.582 9.132 1.00 0.00 H new ATOM 0 HH22 ARG A 22 2.517 14.314 9.321 1.00 0.00 H new ATOM 493 N ASN A 31 -4.456 12.291 8.626 1.00 0.00 N ATOM 494 CA ASN A 31 -4.248 11.050 9.358 1.00 0.00 C ATOM 495 C ASN A 31 -4.625 9.832 8.512 1.00 0.00 C ATOM 496 O ASN A 31 -5.019 8.796 9.046 1.00 0.00 O ATOM 497 CB ASN A 31 -5.075 11.071 10.643 1.00 0.00 C ATOM 498 CG ASN A 31 -4.229 11.324 11.875 1.00 0.00 C ATOM 499 OD1 ASN A 31 -3.104 11.815 11.779 1.00 0.00 O ATOM 500 ND2 ASN A 31 -4.767 10.991 13.042 1.00 0.00 N ATOM 0 HA ASN A 31 -3.189 10.970 9.603 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -5.839 11.844 10.566 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -5.594 10.119 10.752 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -4.245 11.140 13.905 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -5.703 10.587 13.075 1.00 0.00 H new ATOM 507 N LYS A 32 -4.503 9.963 7.194 1.00 0.00 N ATOM 508 CA LYS A 32 -4.836 8.869 6.283 1.00 0.00 C ATOM 509 C LYS A 32 -3.607 8.358 5.544 1.00 0.00 C ATOM 510 O LYS A 32 -3.710 7.820 4.441 1.00 0.00 O ATOM 511 CB LYS A 32 -5.910 9.305 5.285 1.00 0.00 C ATOM 512 CG LYS A 32 -7.174 8.463 5.350 1.00 0.00 C ATOM 513 CD LYS A 32 -7.225 7.445 4.223 1.00 0.00 C ATOM 514 CE LYS A 32 -8.352 6.444 4.426 1.00 0.00 C ATOM 515 NZ LYS A 32 -8.003 5.100 3.889 1.00 0.00 N ATOM 0 H LYS A 32 -4.177 10.812 6.733 1.00 0.00 H new ATOM 0 HA LYS A 32 -5.227 8.050 6.887 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -6.167 10.348 5.472 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -5.500 9.254 4.276 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -7.220 7.948 6.309 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -8.048 9.112 5.295 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -7.361 7.960 3.272 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -6.273 6.916 4.166 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -8.578 6.363 5.489 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -9.254 6.808 3.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -8.868 4.617 3.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -7.353 5.206 3.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -7.544 4.537 4.633 1.00 0.00 H new ATOM 529 N LEU A 33 -2.450 8.528 6.159 1.00 0.00 N ATOM 530 CA LEU A 33 -1.190 8.087 5.571 1.00 0.00 C ATOM 531 C LEU A 33 -1.302 6.654 5.045 1.00 0.00 C ATOM 532 O LEU A 33 -1.476 5.715 5.821 1.00 0.00 O ATOM 533 CB LEU A 33 -0.076 8.178 6.619 1.00 0.00 C ATOM 534 CG LEU A 33 1.352 8.324 6.078 1.00 0.00 C ATOM 535 CD1 LEU A 33 2.353 7.745 7.066 1.00 0.00 C ATOM 536 CD2 LEU A 33 1.503 7.653 4.719 1.00 0.00 C ATOM 0 H LEU A 33 -2.353 8.971 7.072 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.952 8.737 4.729 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.285 9.028 7.268 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.117 7.284 7.241 1.00 0.00 H new ATOM 0 HG LEU A 33 1.554 9.388 5.950 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.362 7.856 6.669 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.276 8.276 8.015 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.139 6.688 7.223 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.526 7.775 4.365 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.275 6.591 4.810 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.816 8.112 4.008 1.00 0.00 H new ATOM 548 N GLU A 34 -1.213 6.490 3.724 1.00 0.00 N ATOM 549 CA GLU A 34 -1.318 5.163 3.117 1.00 0.00 C ATOM 550 C GLU A 34 -0.225 4.928 2.075 1.00 0.00 C ATOM 551 O GLU A 34 0.588 5.808 1.796 1.00 0.00 O ATOM 552 CB GLU A 34 -2.698 4.981 2.480 1.00 0.00 C ATOM 553 CG GLU A 34 -3.325 3.621 2.752 1.00 0.00 C ATOM 554 CD GLU A 34 -3.737 3.444 4.199 1.00 0.00 C ATOM 555 OE1 GLU A 34 -2.976 3.875 5.090 1.00 0.00 O ATOM 556 OE2 GLU A 34 -4.820 2.871 4.443 1.00 0.00 O ATOM 0 H GLU A 34 -1.070 7.251 3.060 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.185 4.427 3.910 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -3.365 5.759 2.851 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -2.612 5.122 1.403 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.198 3.494 2.112 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -2.616 2.838 2.482 1.00 0.00 H new ATOM 563 N PHE A 35 -0.207 3.722 1.515 1.00 0.00 N ATOM 564 CA PHE A 35 0.790 3.348 0.514 1.00 0.00 C ATOM 565 C PHE A 35 0.144 2.961 -0.821 1.00 0.00 C ATOM 566 O PHE A 35 -1.043 2.639 -0.881 1.00 0.00 O ATOM 567 CB PHE A 35 1.658 2.186 1.024 1.00 0.00 C ATOM 568 CG PHE A 35 1.107 1.487 2.239 1.00 0.00 C ATOM 569 CD1 PHE A 35 -0.138 0.880 2.207 1.00 0.00 C ATOM 570 CD2 PHE A 35 1.838 1.442 3.415 1.00 0.00 C ATOM 571 CE1 PHE A 35 -0.644 0.243 3.325 1.00 0.00 C ATOM 572 CE2 PHE A 35 1.338 0.806 4.536 1.00 0.00 C ATOM 573 CZ PHE A 35 0.096 0.207 4.490 1.00 0.00 C ATOM 0 H PHE A 35 -0.874 2.983 1.738 1.00 0.00 H new ATOM 0 HA PHE A 35 1.417 4.223 0.345 1.00 0.00 H new ATOM 0 HB2 PHE A 35 1.776 1.457 0.222 1.00 0.00 H new ATOM 0 HB3 PHE A 35 2.652 2.566 1.258 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -0.720 0.905 1.298 1.00 0.00 H new ATOM 0 HD2 PHE A 35 2.811 1.910 3.457 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -1.616 -0.226 3.287 1.00 0.00 H new ATOM 0 HE2 PHE A 35 1.919 0.778 5.446 1.00 0.00 H new ATOM 0 HZ PHE A 35 -0.297 -0.290 5.365 1.00 0.00 H new ATOM 583 N PRO A 36 0.944 2.962 -1.905 1.00 0.00 N ATOM 584 CA PRO A 36 0.495 2.587 -3.253 1.00 0.00 C ATOM 585 C PRO A 36 -0.286 1.277 -3.256 1.00 0.00 C ATOM 586 O PRO A 36 -0.287 0.549 -2.263 1.00 0.00 O ATOM 587 CB PRO A 36 1.799 2.427 -4.054 1.00 0.00 C ATOM 588 CG PRO A 36 2.905 2.504 -3.052 1.00 0.00 C ATOM 589 CD PRO A 36 2.372 3.305 -1.902 1.00 0.00 C ATOM 0 HA PRO A 36 -0.181 3.334 -3.670 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.818 1.475 -4.584 1.00 0.00 H new ATOM 0 HB3 PRO A 36 1.896 3.212 -4.804 1.00 0.00 H new ATOM 0 HG2 PRO A 36 3.206 1.508 -2.727 1.00 0.00 H new ATOM 0 HG3 PRO A 36 3.787 2.979 -3.482 1.00 0.00 H new ATOM 0 HD2 PRO A 36 2.852 3.033 -0.962 1.00 0.00 H new ATOM 0 HD3 PRO A 36 2.532 4.374 -2.044 1.00 0.00 H new ATOM 597 N GLY A 37 -0.948 0.973 -4.372 1.00 0.00 N ATOM 598 CA GLY A 37 -1.710 -0.259 -4.452 1.00 0.00 C ATOM 599 C GLY A 37 -3.203 -0.077 -4.281 1.00 0.00 C ATOM 600 O GLY A 37 -3.822 -0.641 -3.379 1.00 0.00 O ATOM 0 H GLY A 37 -0.969 1.552 -5.212 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.521 -0.728 -5.417 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.349 -0.947 -3.687 1.00 0.00 H new ATOM 604 N GLY A 38 -3.765 0.709 -5.168 1.00 0.00 N ATOM 605 CA GLY A 38 -5.189 0.977 -5.161 1.00 0.00 C ATOM 606 C GLY A 38 -5.805 0.811 -6.540 1.00 0.00 C ATOM 607 O GLY A 38 -5.287 1.359 -7.514 1.00 0.00 O ATOM 0 H GLY A 38 -3.253 1.181 -5.914 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -5.682 0.303 -4.460 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -5.365 1.992 -4.805 1.00 0.00 H new ATOM 611 N LYS A 39 -6.907 0.053 -6.621 1.00 0.00 N ATOM 612 CA LYS A 39 -7.615 -0.196 -7.883 1.00 0.00 C ATOM 613 C LYS A 39 -7.146 -1.483 -8.559 1.00 0.00 C ATOM 614 O LYS A 39 -7.562 -1.781 -9.679 1.00 0.00 O ATOM 615 CB LYS A 39 -7.473 0.976 -8.859 1.00 0.00 C ATOM 616 CG LYS A 39 -8.322 0.819 -10.107 1.00 0.00 C ATOM 617 CD LYS A 39 -9.143 2.067 -10.390 1.00 0.00 C ATOM 618 CE LYS A 39 -10.163 2.324 -9.292 1.00 0.00 C ATOM 619 NZ LYS A 39 -9.660 3.298 -8.282 1.00 0.00 N ATOM 0 H LYS A 39 -7.332 -0.404 -5.814 1.00 0.00 H new ATOM 0 HA LYS A 39 -8.667 -0.306 -7.620 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.752 1.899 -8.351 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -6.427 1.075 -9.149 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -7.678 0.606 -10.960 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -8.988 -0.036 -9.989 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -8.480 2.927 -10.481 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -9.655 1.958 -11.346 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -11.084 2.703 -9.734 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -10.409 1.384 -8.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -9.428 2.796 -7.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -8.807 3.768 -8.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -10.393 4.010 -8.091 1.00 0.00 H new ATOM 633 N ILE A 40 -6.297 -2.255 -7.884 1.00 0.00 N ATOM 634 CA ILE A 40 -5.813 -3.514 -8.454 1.00 0.00 C ATOM 635 C ILE A 40 -6.985 -4.382 -8.879 1.00 0.00 C ATOM 636 O ILE A 40 -6.885 -5.201 -9.794 1.00 0.00 O ATOM 637 CB ILE A 40 -4.916 -4.299 -7.471 1.00 0.00 C ATOM 638 CG1 ILE A 40 -5.754 -5.124 -6.479 1.00 0.00 C ATOM 639 CG2 ILE A 40 -3.994 -3.343 -6.735 1.00 0.00 C ATOM 640 CD1 ILE A 40 -5.295 -6.561 -6.345 1.00 0.00 C ATOM 0 H ILE A 40 -5.934 -2.037 -6.956 1.00 0.00 H new ATOM 0 HA ILE A 40 -5.206 -3.258 -9.322 1.00 0.00 H new ATOM 0 HB ILE A 40 -4.312 -5.000 -8.046 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -5.716 -4.647 -5.500 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -6.796 -5.113 -6.799 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -3.365 -3.904 -6.044 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -3.365 -2.818 -7.454 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -4.589 -2.620 -6.178 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -5.932 -7.081 -5.629 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -5.359 -7.055 -7.314 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -4.263 -6.582 -5.995 1.00 0.00 H new ATOM 652 N GLU A 41 -8.094 -4.184 -8.188 1.00 0.00 N ATOM 653 CA GLU A 41 -9.320 -4.920 -8.440 1.00 0.00 C ATOM 654 C GLU A 41 -9.621 -4.991 -9.931 1.00 0.00 C ATOM 655 O GLU A 41 -9.450 -6.040 -10.548 1.00 0.00 O ATOM 656 CB GLU A 41 -10.481 -4.266 -7.686 1.00 0.00 C ATOM 657 CG GLU A 41 -10.424 -2.741 -7.648 1.00 0.00 C ATOM 658 CD GLU A 41 -11.641 -2.092 -8.280 1.00 0.00 C ATOM 659 OE1 GLU A 41 -12.251 -2.719 -9.171 1.00 0.00 O ATOM 660 OE2 GLU A 41 -11.982 -0.957 -7.883 1.00 0.00 O ATOM 0 H GLU A 41 -8.169 -3.504 -7.432 1.00 0.00 H new ATOM 0 HA GLU A 41 -9.192 -5.941 -8.080 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -11.419 -4.572 -8.150 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -10.494 -4.643 -6.663 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -10.338 -2.411 -6.613 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -9.527 -2.402 -8.166 1.00 0.00 H new ATOM 667 N MET A 42 -10.058 -3.864 -10.498 1.00 0.00 N ATOM 668 CA MET A 42 -10.382 -3.765 -11.927 1.00 0.00 C ATOM 669 C MET A 42 -10.801 -5.114 -12.518 1.00 0.00 C ATOM 670 O MET A 42 -11.989 -5.427 -12.593 1.00 0.00 O ATOM 671 CB MET A 42 -9.187 -3.200 -12.699 1.00 0.00 C ATOM 672 CG MET A 42 -8.902 -1.739 -12.394 1.00 0.00 C ATOM 673 SD MET A 42 -8.843 -0.713 -13.877 1.00 0.00 S ATOM 674 CE MET A 42 -10.588 -0.433 -14.164 1.00 0.00 C ATOM 0 H MET A 42 -10.198 -2.995 -9.983 1.00 0.00 H new ATOM 0 HA MET A 42 -11.231 -3.089 -12.024 1.00 0.00 H new ATOM 0 HB2 MET A 42 -8.302 -3.791 -12.465 1.00 0.00 H new ATOM 0 HB3 MET A 42 -9.370 -3.310 -13.768 1.00 0.00 H new ATOM 0 HG2 MET A 42 -9.671 -1.356 -11.723 1.00 0.00 H new ATOM 0 HG3 MET A 42 -7.951 -1.662 -11.866 1.00 0.00 H new ATOM 0 HE1 MET A 42 -10.716 0.188 -15.051 1.00 0.00 H new ATOM 0 HE2 MET A 42 -11.090 -1.389 -14.315 1.00 0.00 H new ATOM 0 HE3 MET A 42 -11.022 0.072 -13.301 1.00 0.00 H new ATOM 684 N GLY A 43 -9.816 -5.906 -12.937 1.00 0.00 N ATOM 685 CA GLY A 43 -10.104 -7.206 -13.513 1.00 0.00 C ATOM 686 C GLY A 43 -8.876 -8.081 -13.620 1.00 0.00 C ATOM 687 O GLY A 43 -8.787 -8.938 -14.499 1.00 0.00 O ATOM 0 H GLY A 43 -8.825 -5.669 -12.887 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.853 -7.711 -12.903 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -10.537 -7.072 -14.504 1.00 0.00 H new ATOM 691 N GLU A 44 -7.926 -7.861 -12.727 1.00 0.00 N ATOM 692 CA GLU A 44 -6.688 -8.633 -12.723 1.00 0.00 C ATOM 693 C GLU A 44 -6.753 -9.774 -11.713 1.00 0.00 C ATOM 694 O GLU A 44 -7.791 -10.006 -11.092 1.00 0.00 O ATOM 695 CB GLU A 44 -5.501 -7.722 -12.409 1.00 0.00 C ATOM 696 CG GLU A 44 -4.860 -7.112 -13.644 1.00 0.00 C ATOM 697 CD GLU A 44 -5.860 -6.384 -14.521 1.00 0.00 C ATOM 698 OE1 GLU A 44 -6.674 -5.610 -13.976 1.00 0.00 O ATOM 699 OE2 GLU A 44 -5.830 -6.590 -15.753 1.00 0.00 O ATOM 0 H GLU A 44 -7.985 -7.154 -11.994 1.00 0.00 H new ATOM 0 HA GLU A 44 -6.556 -9.065 -13.715 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -5.833 -6.921 -11.749 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -4.749 -8.293 -11.864 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -4.078 -6.417 -13.337 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -4.378 -7.898 -14.225 1.00 0.00 H new ATOM 706 N THR A 45 -5.639 -10.486 -11.551 1.00 0.00 N ATOM 707 CA THR A 45 -5.576 -11.601 -10.616 1.00 0.00 C ATOM 708 C THR A 45 -4.854 -11.183 -9.340 1.00 0.00 C ATOM 709 O THR A 45 -4.119 -10.199 -9.331 1.00 0.00 O ATOM 710 CB THR A 45 -4.858 -12.793 -11.260 1.00 0.00 C ATOM 711 OG1 THR A 45 -4.472 -12.493 -12.590 1.00 0.00 O ATOM 712 CG2 THR A 45 -5.704 -14.048 -11.302 1.00 0.00 C ATOM 0 H THR A 45 -4.770 -10.309 -12.056 1.00 0.00 H new ATOM 0 HA THR A 45 -6.593 -11.898 -10.361 1.00 0.00 H new ATOM 0 HB THR A 45 -3.988 -12.978 -10.630 1.00 0.00 H new ATOM 0 HG1 THR A 45 -4.014 -13.267 -12.980 1.00 0.00 H new ATOM 0 HG21 THR A 45 -5.137 -14.853 -11.769 1.00 0.00 H new ATOM 0 HG22 THR A 45 -5.976 -14.338 -10.287 1.00 0.00 H new ATOM 0 HG23 THR A 45 -6.608 -13.858 -11.880 1.00 0.00 H new ATOM 720 N PRO A 46 -5.043 -11.927 -8.241 1.00 0.00 N ATOM 721 CA PRO A 46 -4.396 -11.626 -6.964 1.00 0.00 C ATOM 722 C PRO A 46 -2.894 -11.396 -7.115 1.00 0.00 C ATOM 723 O PRO A 46 -2.272 -10.729 -6.288 1.00 0.00 O ATOM 724 CB PRO A 46 -4.672 -12.875 -6.109 1.00 0.00 C ATOM 725 CG PRO A 46 -5.213 -13.896 -7.053 1.00 0.00 C ATOM 726 CD PRO A 46 -5.887 -13.122 -8.143 1.00 0.00 C ATOM 0 HA PRO A 46 -4.780 -10.706 -6.523 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -3.761 -13.230 -5.628 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -5.387 -12.657 -5.316 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -4.415 -14.522 -7.453 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -5.917 -14.560 -6.551 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -5.915 -13.678 -9.080 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -6.917 -12.873 -7.889 1.00 0.00 H new ATOM 734 N GLU A 47 -2.311 -11.966 -8.168 1.00 0.00 N ATOM 735 CA GLU A 47 -0.879 -11.834 -8.414 1.00 0.00 C ATOM 736 C GLU A 47 -0.568 -10.753 -9.453 1.00 0.00 C ATOM 737 O GLU A 47 0.342 -9.947 -9.259 1.00 0.00 O ATOM 738 CB GLU A 47 -0.301 -13.174 -8.874 1.00 0.00 C ATOM 739 CG GLU A 47 0.532 -13.873 -7.814 1.00 0.00 C ATOM 740 CD GLU A 47 0.433 -15.384 -7.897 1.00 0.00 C ATOM 741 OE1 GLU A 47 0.888 -15.954 -8.911 1.00 0.00 O ATOM 742 OE2 GLU A 47 -0.101 -15.997 -6.949 1.00 0.00 O ATOM 0 H GLU A 47 -2.809 -12.523 -8.863 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.415 -11.532 -7.475 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.119 -13.830 -9.172 1.00 0.00 H new ATOM 0 HB3 GLU A 47 0.315 -13.010 -9.758 1.00 0.00 H new ATOM 0 HG2 GLU A 47 1.575 -13.574 -7.921 1.00 0.00 H new ATOM 0 HG3 GLU A 47 0.207 -13.545 -6.827 1.00 0.00 H new ATOM 749 N GLN A 48 -1.307 -10.746 -10.560 1.00 0.00 N ATOM 750 CA GLN A 48 -1.076 -9.770 -11.621 1.00 0.00 C ATOM 751 C GLN A 48 -1.707 -8.421 -11.291 1.00 0.00 C ATOM 752 O GLN A 48 -1.283 -7.387 -11.806 1.00 0.00 O ATOM 753 CB GLN A 48 -1.629 -10.291 -12.949 1.00 0.00 C ATOM 754 CG GLN A 48 -0.831 -11.448 -13.526 1.00 0.00 C ATOM 755 CD GLN A 48 0.643 -11.125 -13.673 1.00 0.00 C ATOM 756 OE1 GLN A 48 1.505 -11.882 -13.225 1.00 0.00 O ATOM 757 NE2 GLN A 48 0.941 -9.996 -14.304 1.00 0.00 N ATOM 0 H GLN A 48 -2.067 -11.401 -10.745 1.00 0.00 H new ATOM 0 HA GLN A 48 0.001 -9.626 -11.708 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -2.661 -10.609 -12.804 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -1.645 -9.475 -13.672 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -0.945 -12.320 -12.882 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -1.239 -11.716 -14.501 1.00 0.00 H new ATOM 0 HE21 GLN A 48 0.195 -9.398 -14.659 1.00 0.00 H new ATOM 0 HE22 GLN A 48 1.916 -9.726 -14.434 1.00 0.00 H new ATOM 766 N ALA A 49 -2.720 -8.435 -10.436 1.00 0.00 N ATOM 767 CA ALA A 49 -3.404 -7.210 -10.046 1.00 0.00 C ATOM 768 C ALA A 49 -2.426 -6.202 -9.457 1.00 0.00 C ATOM 769 O ALA A 49 -2.432 -5.030 -9.832 1.00 0.00 O ATOM 770 CB ALA A 49 -4.516 -7.516 -9.055 1.00 0.00 C ATOM 0 H ALA A 49 -3.086 -9.281 -9.999 1.00 0.00 H new ATOM 0 HA ALA A 49 -3.845 -6.769 -10.940 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -5.017 -6.590 -8.773 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -5.236 -8.194 -9.514 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -4.093 -7.984 -8.166 1.00 0.00 H new ATOM 776 N VAL A 50 -1.586 -6.663 -8.541 1.00 0.00 N ATOM 777 CA VAL A 50 -0.601 -5.794 -7.909 1.00 0.00 C ATOM 778 C VAL A 50 0.589 -5.562 -8.835 1.00 0.00 C ATOM 779 O VAL A 50 1.051 -4.435 -8.996 1.00 0.00 O ATOM 780 CB VAL A 50 -0.104 -6.365 -6.553 1.00 0.00 C ATOM 781 CG1 VAL A 50 -1.182 -7.214 -5.894 1.00 0.00 C ATOM 782 CG2 VAL A 50 1.180 -7.171 -6.725 1.00 0.00 C ATOM 0 H VAL A 50 -1.566 -7.631 -8.219 1.00 0.00 H new ATOM 0 HA VAL A 50 -1.098 -4.844 -7.713 1.00 0.00 H new ATOM 0 HB VAL A 50 0.116 -5.519 -5.902 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.810 -7.603 -4.946 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -2.067 -6.603 -5.714 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -1.442 -8.045 -6.550 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.500 -7.556 -5.757 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.999 -8.004 -7.405 1.00 0.00 H new ATOM 0 HG23 VAL A 50 1.960 -6.530 -7.136 1.00 0.00 H new ATOM 792 N VAL A 51 1.084 -6.642 -9.431 1.00 0.00 N ATOM 793 CA VAL A 51 2.227 -6.569 -10.331 1.00 0.00 C ATOM 794 C VAL A 51 1.940 -5.653 -11.510 1.00 0.00 C ATOM 795 O VAL A 51 2.822 -4.932 -11.976 1.00 0.00 O ATOM 796 CB VAL A 51 2.619 -7.966 -10.854 1.00 0.00 C ATOM 797 CG1 VAL A 51 3.865 -7.890 -11.724 1.00 0.00 C ATOM 798 CG2 VAL A 51 2.833 -8.927 -9.695 1.00 0.00 C ATOM 0 H VAL A 51 0.708 -7.582 -9.305 1.00 0.00 H new ATOM 0 HA VAL A 51 3.059 -6.160 -9.757 1.00 0.00 H new ATOM 0 HB VAL A 51 1.801 -8.342 -11.468 1.00 0.00 H new ATOM 0 HG11 VAL A 51 4.121 -8.888 -12.081 1.00 0.00 H new ATOM 0 HG12 VAL A 51 3.674 -7.238 -12.576 1.00 0.00 H new ATOM 0 HG13 VAL A 51 4.693 -7.490 -11.139 1.00 0.00 H new ATOM 0 HG21 VAL A 51 3.109 -9.908 -10.082 1.00 0.00 H new ATOM 0 HG22 VAL A 51 3.631 -8.552 -9.054 1.00 0.00 H new ATOM 0 HG23 VAL A 51 1.913 -9.011 -9.117 1.00 0.00 H new ATOM 808 N ARG A 52 0.704 -5.682 -11.989 1.00 0.00 N ATOM 809 CA ARG A 52 0.319 -4.845 -13.113 1.00 0.00 C ATOM 810 C ARG A 52 0.082 -3.411 -12.661 1.00 0.00 C ATOM 811 O ARG A 52 0.575 -2.467 -13.279 1.00 0.00 O ATOM 812 CB ARG A 52 -0.933 -5.399 -13.796 1.00 0.00 C ATOM 813 CG ARG A 52 -1.092 -4.939 -15.237 1.00 0.00 C ATOM 814 CD ARG A 52 -1.633 -3.520 -15.313 1.00 0.00 C ATOM 815 NE ARG A 52 -2.853 -3.356 -14.526 1.00 0.00 N ATOM 816 CZ ARG A 52 -4.061 -3.726 -14.945 1.00 0.00 C ATOM 817 NH1 ARG A 52 -4.217 -4.282 -16.141 1.00 0.00 N ATOM 818 NH2 ARG A 52 -5.117 -3.541 -14.165 1.00 0.00 N ATOM 0 H ARG A 52 -0.042 -6.271 -11.620 1.00 0.00 H new ATOM 0 HA ARG A 52 1.137 -4.850 -13.833 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -0.898 -6.488 -13.772 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -1.812 -5.096 -13.227 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -0.129 -4.990 -15.745 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -1.766 -5.615 -15.764 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -0.875 -2.823 -14.956 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -1.836 -3.265 -16.353 1.00 0.00 H new ATOM 0 HE ARG A 52 -2.774 -2.933 -13.601 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -3.408 -4.428 -16.745 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -5.146 -4.563 -16.456 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -5.003 -3.116 -13.245 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -6.043 -3.824 -14.485 1.00 0.00 H new ATOM 832 N GLU A 53 -0.667 -3.250 -11.577 1.00 0.00 N ATOM 833 CA GLU A 53 -0.952 -1.925 -11.049 1.00 0.00 C ATOM 834 C GLU A 53 0.301 -1.305 -10.442 1.00 0.00 C ATOM 835 O GLU A 53 0.393 -0.087 -10.305 1.00 0.00 O ATOM 836 CB GLU A 53 -2.071 -1.982 -10.010 1.00 0.00 C ATOM 837 CG GLU A 53 -3.458 -1.846 -10.616 1.00 0.00 C ATOM 838 CD GLU A 53 -4.330 -0.857 -9.868 1.00 0.00 C ATOM 839 OE1 GLU A 53 -4.133 -0.697 -8.645 1.00 0.00 O ATOM 840 OE2 GLU A 53 -5.209 -0.241 -10.505 1.00 0.00 O ATOM 0 H GLU A 53 -1.085 -4.017 -11.050 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.283 -1.298 -11.877 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.009 -2.927 -9.470 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.921 -1.187 -9.280 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.366 -1.530 -11.655 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -3.945 -2.821 -10.621 1.00 0.00 H new ATOM 847 N LEU A 54 1.277 -2.146 -10.092 1.00 0.00 N ATOM 848 CA LEU A 54 2.526 -1.657 -9.519 1.00 0.00 C ATOM 849 C LEU A 54 3.100 -0.565 -10.405 1.00 0.00 C ATOM 850 O LEU A 54 3.529 0.482 -9.928 1.00 0.00 O ATOM 851 CB LEU A 54 3.540 -2.796 -9.376 1.00 0.00 C ATOM 852 CG LEU A 54 4.274 -2.837 -8.037 1.00 0.00 C ATOM 853 CD1 LEU A 54 3.489 -3.656 -7.025 1.00 0.00 C ATOM 854 CD2 LEU A 54 5.679 -3.397 -8.216 1.00 0.00 C ATOM 0 H LEU A 54 1.225 -3.159 -10.195 1.00 0.00 H new ATOM 0 HA LEU A 54 2.320 -1.253 -8.528 1.00 0.00 H new ATOM 0 HB2 LEU A 54 3.022 -3.744 -9.520 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.276 -2.711 -10.175 1.00 0.00 H new ATOM 0 HG LEU A 54 4.360 -1.819 -7.657 1.00 0.00 H new ATOM 0 HD11 LEU A 54 4.026 -3.675 -6.077 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.507 -3.207 -6.877 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.370 -4.674 -7.395 1.00 0.00 H new ATOM 0 HD21 LEU A 54 6.187 -3.419 -7.252 1.00 0.00 H new ATOM 0 HD22 LEU A 54 5.619 -4.408 -8.618 1.00 0.00 H new ATOM 0 HD23 LEU A 54 6.237 -2.765 -8.906 1.00 0.00 H new ATOM 866 N GLN A 55 3.078 -0.819 -11.705 1.00 0.00 N ATOM 867 CA GLN A 55 3.571 0.143 -12.677 1.00 0.00 C ATOM 868 C GLN A 55 2.684 1.385 -12.676 1.00 0.00 C ATOM 869 O GLN A 55 3.151 2.499 -12.916 1.00 0.00 O ATOM 870 CB GLN A 55 3.598 -0.491 -14.072 1.00 0.00 C ATOM 871 CG GLN A 55 4.999 -0.666 -14.633 1.00 0.00 C ATOM 872 CD GLN A 55 5.037 -0.574 -16.146 1.00 0.00 C ATOM 873 OE1 GLN A 55 4.505 0.366 -16.736 1.00 0.00 O ATOM 874 NE2 GLN A 55 5.668 -1.553 -16.783 1.00 0.00 N ATOM 0 H GLN A 55 2.723 -1.685 -12.111 1.00 0.00 H new ATOM 0 HA GLN A 55 4.585 0.437 -12.406 1.00 0.00 H new ATOM 0 HB2 GLN A 55 3.108 -1.464 -14.029 1.00 0.00 H new ATOM 0 HB3 GLN A 55 3.017 0.129 -14.755 1.00 0.00 H new ATOM 0 HG2 GLN A 55 5.654 0.096 -14.210 1.00 0.00 H new ATOM 0 HG3 GLN A 55 5.393 -1.633 -14.322 1.00 0.00 H new ATOM 0 HE21 GLN A 55 6.095 -2.313 -16.254 1.00 0.00 H new ATOM 0 HE22 GLN A 55 5.726 -1.545 -17.801 1.00 0.00 H new ATOM 883 N GLU A 56 1.400 1.175 -12.403 1.00 0.00 N ATOM 884 CA GLU A 56 0.426 2.260 -12.365 1.00 0.00 C ATOM 885 C GLU A 56 0.526 3.065 -11.073 1.00 0.00 C ATOM 886 O GLU A 56 0.253 4.263 -11.061 1.00 0.00 O ATOM 887 CB GLU A 56 -0.989 1.700 -12.503 1.00 0.00 C ATOM 888 CG GLU A 56 -1.928 2.595 -13.296 1.00 0.00 C ATOM 889 CD GLU A 56 -3.187 2.948 -12.528 1.00 0.00 C ATOM 890 OE1 GLU A 56 -3.552 2.190 -11.603 1.00 0.00 O ATOM 891 OE2 GLU A 56 -3.809 3.983 -12.849 1.00 0.00 O ATOM 0 H GLU A 56 1.008 0.255 -12.203 1.00 0.00 H new ATOM 0 HA GLU A 56 0.646 2.926 -13.200 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.938 0.724 -12.986 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.406 1.542 -11.508 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.405 3.511 -13.570 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.202 2.095 -14.225 1.00 0.00 H new ATOM 898 N GLU A 57 0.890 2.397 -9.981 1.00 0.00 N ATOM 899 CA GLU A 57 0.989 3.063 -8.685 1.00 0.00 C ATOM 900 C GLU A 57 2.441 3.241 -8.235 1.00 0.00 C ATOM 901 O GLU A 57 2.696 3.721 -7.130 1.00 0.00 O ATOM 902 CB GLU A 57 0.213 2.276 -7.630 1.00 0.00 C ATOM 903 CG GLU A 57 -1.284 2.538 -7.657 1.00 0.00 C ATOM 904 CD GLU A 57 -1.918 2.161 -8.982 1.00 0.00 C ATOM 905 OE1 GLU A 57 -1.946 3.016 -9.891 1.00 0.00 O ATOM 906 OE2 GLU A 57 -2.387 1.010 -9.109 1.00 0.00 O ATOM 0 H GLU A 57 1.120 1.403 -9.967 1.00 0.00 H new ATOM 0 HA GLU A 57 0.555 4.057 -8.798 1.00 0.00 H new ATOM 0 HB2 GLU A 57 0.390 1.211 -7.780 1.00 0.00 H new ATOM 0 HB3 GLU A 57 0.600 2.528 -6.643 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -1.762 1.974 -6.856 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -1.468 3.594 -7.458 1.00 0.00 H new ATOM 913 N VAL A 58 3.387 2.879 -9.095 1.00 0.00 N ATOM 914 CA VAL A 58 4.801 3.028 -8.778 1.00 0.00 C ATOM 915 C VAL A 58 5.541 3.630 -9.959 1.00 0.00 C ATOM 916 O VAL A 58 6.354 4.538 -9.801 1.00 0.00 O ATOM 917 CB VAL A 58 5.454 1.684 -8.405 1.00 0.00 C ATOM 918 CG1 VAL A 58 6.872 1.901 -7.898 1.00 0.00 C ATOM 919 CG2 VAL A 58 4.614 0.953 -7.367 1.00 0.00 C ATOM 0 H VAL A 58 3.200 2.481 -10.015 1.00 0.00 H new ATOM 0 HA VAL A 58 4.869 3.691 -7.915 1.00 0.00 H new ATOM 0 HB VAL A 58 5.505 1.064 -9.300 1.00 0.00 H new ATOM 0 HG11 VAL A 58 7.317 0.940 -7.639 1.00 0.00 H new ATOM 0 HG12 VAL A 58 7.467 2.379 -8.676 1.00 0.00 H new ATOM 0 HG13 VAL A 58 6.849 2.540 -7.015 1.00 0.00 H new ATOM 0 HG21 VAL A 58 5.090 0.005 -7.115 1.00 0.00 H new ATOM 0 HG22 VAL A 58 4.529 1.566 -6.470 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.620 0.763 -7.772 1.00 0.00 H new ATOM 929 N GLY A 59 5.236 3.124 -11.148 1.00 0.00 N ATOM 930 CA GLY A 59 5.856 3.617 -12.362 1.00 0.00 C ATOM 931 C GLY A 59 7.325 3.279 -12.467 1.00 0.00 C ATOM 932 O GLY A 59 7.800 2.838 -13.513 1.00 0.00 O ATOM 0 H GLY A 59 4.562 2.372 -11.293 1.00 0.00 H new ATOM 0 HA2 GLY A 59 5.333 3.201 -13.223 1.00 0.00 H new ATOM 0 HA3 GLY A 59 5.736 4.699 -12.409 1.00 0.00 H new ATOM 936 N ILE A 60 8.036 3.482 -11.380 1.00 0.00 N ATOM 937 CA ILE A 60 9.463 3.197 -11.331 1.00 0.00 C ATOM 938 C ILE A 60 9.691 1.701 -11.174 1.00 0.00 C ATOM 939 O ILE A 60 8.847 0.998 -10.627 1.00 0.00 O ATOM 940 CB ILE A 60 10.168 3.986 -10.190 1.00 0.00 C ATOM 941 CG1 ILE A 60 11.300 4.837 -10.766 1.00 0.00 C ATOM 942 CG2 ILE A 60 10.704 3.068 -9.096 1.00 0.00 C ATOM 943 CD1 ILE A 60 12.420 4.015 -11.363 1.00 0.00 C ATOM 0 H ILE A 60 7.650 3.846 -10.509 1.00 0.00 H new ATOM 0 HA ILE A 60 9.905 3.526 -12.272 1.00 0.00 H new ATOM 0 HB ILE A 60 9.420 4.632 -9.730 1.00 0.00 H new ATOM 0 HG12 ILE A 60 10.895 5.498 -11.532 1.00 0.00 H new ATOM 0 HG13 ILE A 60 11.705 5.473 -9.978 1.00 0.00 H new ATOM 0 HG21 ILE A 60 11.187 3.666 -8.323 1.00 0.00 H new ATOM 0 HG22 ILE A 60 9.880 2.505 -8.657 1.00 0.00 H new ATOM 0 HG23 ILE A 60 11.429 2.376 -9.525 1.00 0.00 H new ATOM 0 HD11 ILE A 60 13.191 4.679 -11.754 1.00 0.00 H new ATOM 0 HD12 ILE A 60 12.850 3.373 -10.594 1.00 0.00 H new ATOM 0 HD13 ILE A 60 12.028 3.399 -12.172 1.00 0.00 H new ATOM 955 N THR A 61 10.829 1.225 -11.665 1.00 0.00 N ATOM 956 CA THR A 61 11.177 -0.181 -11.597 1.00 0.00 C ATOM 957 C THR A 61 11.827 -0.505 -10.259 1.00 0.00 C ATOM 958 O THR A 61 13.018 -0.258 -10.068 1.00 0.00 O ATOM 959 CB THR A 61 12.139 -0.497 -12.728 1.00 0.00 C ATOM 960 OG1 THR A 61 12.981 0.614 -12.993 1.00 0.00 O ATOM 961 CG2 THR A 61 11.440 -0.866 -14.017 1.00 0.00 C ATOM 0 H THR A 61 11.533 1.806 -12.120 1.00 0.00 H new ATOM 0 HA THR A 61 10.274 -0.784 -11.693 1.00 0.00 H new ATOM 0 HB THR A 61 12.717 -1.357 -12.389 1.00 0.00 H new ATOM 0 HG1 THR A 61 13.595 0.392 -13.723 1.00 0.00 H new ATOM 0 HG21 THR A 61 12.183 -1.080 -14.785 1.00 0.00 H new ATOM 0 HG22 THR A 61 10.820 -1.748 -13.855 1.00 0.00 H new ATOM 0 HG23 THR A 61 10.812 -0.036 -14.341 1.00 0.00 H new ATOM 969 N PRO A 62 11.051 -1.011 -9.289 1.00 0.00 N ATOM 970 CA PRO A 62 11.528 -1.303 -7.963 1.00 0.00 C ATOM 971 C PRO A 62 11.531 -2.781 -7.615 1.00 0.00 C ATOM 972 O PRO A 62 10.646 -3.524 -8.038 1.00 0.00 O ATOM 973 CB PRO A 62 10.429 -0.612 -7.163 1.00 0.00 C ATOM 974 CG PRO A 62 9.173 -0.907 -7.940 1.00 0.00 C ATOM 975 CD PRO A 62 9.614 -1.285 -9.342 1.00 0.00 C ATOM 0 HA PRO A 62 12.559 -0.991 -7.798 1.00 0.00 H new ATOM 0 HB2 PRO A 62 10.370 -1.001 -6.147 1.00 0.00 H new ATOM 0 HB3 PRO A 62 10.607 0.460 -7.084 1.00 0.00 H new ATOM 0 HG2 PRO A 62 8.612 -1.719 -7.477 1.00 0.00 H new ATOM 0 HG3 PRO A 62 8.516 -0.037 -7.961 1.00 0.00 H new ATOM 0 HD2 PRO A 62 9.405 -2.331 -9.568 1.00 0.00 H new ATOM 0 HD3 PRO A 62 9.112 -0.688 -10.103 1.00 0.00 H new ATOM 983 N GLN A 63 12.477 -3.193 -6.777 1.00 0.00 N ATOM 984 CA GLN A 63 12.493 -4.568 -6.324 1.00 0.00 C ATOM 985 C GLN A 63 11.370 -4.682 -5.311 1.00 0.00 C ATOM 986 O GLN A 63 11.578 -4.597 -4.101 1.00 0.00 O ATOM 987 CB GLN A 63 13.838 -4.928 -5.690 1.00 0.00 C ATOM 988 CG GLN A 63 15.015 -4.789 -6.641 1.00 0.00 C ATOM 989 CD GLN A 63 16.352 -4.945 -5.942 1.00 0.00 C ATOM 990 OE1 GLN A 63 16.509 -4.555 -4.785 1.00 0.00 O ATOM 991 NE2 GLN A 63 17.324 -5.515 -6.644 1.00 0.00 N ATOM 0 H GLN A 63 13.224 -2.605 -6.408 1.00 0.00 H new ATOM 0 HA GLN A 63 12.355 -5.259 -7.156 1.00 0.00 H new ATOM 0 HB2 GLN A 63 14.004 -4.288 -4.823 1.00 0.00 H new ATOM 0 HB3 GLN A 63 13.795 -5.954 -5.325 1.00 0.00 H new ATOM 0 HG2 GLN A 63 14.931 -5.538 -7.428 1.00 0.00 H new ATOM 0 HG3 GLN A 63 14.974 -3.813 -7.124 1.00 0.00 H new ATOM 0 HE21 GLN A 63 17.149 -5.823 -7.600 1.00 0.00 H new ATOM 0 HE22 GLN A 63 18.246 -5.645 -6.227 1.00 0.00 H new ATOM 1000 N HIS A 64 10.166 -4.807 -5.844 1.00 0.00 N ATOM 1001 CA HIS A 64 8.955 -4.860 -5.046 1.00 0.00 C ATOM 1002 C HIS A 64 8.166 -6.111 -5.372 1.00 0.00 C ATOM 1003 O HIS A 64 7.792 -6.335 -6.524 1.00 0.00 O ATOM 1004 CB HIS A 64 8.145 -3.597 -5.357 1.00 0.00 C ATOM 1005 CG HIS A 64 6.708 -3.614 -4.914 1.00 0.00 C ATOM 1006 ND1 HIS A 64 6.162 -4.592 -4.107 1.00 0.00 N ATOM 1007 CD2 HIS A 64 5.701 -2.745 -5.173 1.00 0.00 C ATOM 1008 CE1 HIS A 64 4.885 -4.324 -3.894 1.00 0.00 C ATOM 1009 NE2 HIS A 64 4.582 -3.209 -4.527 1.00 0.00 N ATOM 0 H HIS A 64 10.002 -4.875 -6.848 1.00 0.00 H new ATOM 0 HA HIS A 64 9.191 -4.898 -3.983 1.00 0.00 H new ATOM 0 HB2 HIS A 64 8.640 -2.747 -4.888 1.00 0.00 H new ATOM 0 HB3 HIS A 64 8.171 -3.427 -6.433 1.00 0.00 H new ATOM 0 HD2 HIS A 64 5.767 -1.852 -5.777 1.00 0.00 H new ATOM 0 HE1 HIS A 64 4.205 -4.918 -3.301 1.00 0.00 H new ATOM 0 HE2 HIS A 64 3.665 -2.763 -4.536 1.00 0.00 H new ATOM 1018 N PHE A 65 7.930 -6.941 -4.362 1.00 0.00 N ATOM 1019 CA PHE A 65 7.203 -8.179 -4.577 1.00 0.00 C ATOM 1020 C PHE A 65 7.013 -8.967 -3.283 1.00 0.00 C ATOM 1021 O PHE A 65 7.624 -8.666 -2.262 1.00 0.00 O ATOM 1022 CB PHE A 65 7.988 -9.025 -5.565 1.00 0.00 C ATOM 1023 CG PHE A 65 7.156 -10.032 -6.307 1.00 0.00 C ATOM 1024 CD1 PHE A 65 5.948 -9.663 -6.877 1.00 0.00 C ATOM 1025 CD2 PHE A 65 7.583 -11.344 -6.439 1.00 0.00 C ATOM 1026 CE1 PHE A 65 5.182 -10.583 -7.566 1.00 0.00 C ATOM 1027 CE2 PHE A 65 6.819 -12.269 -7.126 1.00 0.00 C ATOM 1028 CZ PHE A 65 5.617 -11.887 -7.691 1.00 0.00 C ATOM 0 H PHE A 65 8.228 -6.780 -3.400 1.00 0.00 H new ATOM 0 HA PHE A 65 6.212 -7.935 -4.960 1.00 0.00 H new ATOM 0 HB2 PHE A 65 8.472 -8.367 -6.287 1.00 0.00 H new ATOM 0 HB3 PHE A 65 8.780 -9.548 -5.030 1.00 0.00 H new ATOM 0 HD1 PHE A 65 5.602 -8.645 -6.781 1.00 0.00 H new ATOM 0 HD2 PHE A 65 8.522 -11.647 -6.001 1.00 0.00 H new ATOM 0 HE1 PHE A 65 4.243 -10.282 -8.007 1.00 0.00 H new ATOM 0 HE2 PHE A 65 7.161 -13.289 -7.221 1.00 0.00 H new ATOM 0 HZ PHE A 65 5.019 -12.607 -8.229 1.00 0.00 H new ATOM 1038 N SER A 66 6.167 -9.992 -3.357 1.00 0.00 N ATOM 1039 CA SER A 66 5.878 -10.869 -2.220 1.00 0.00 C ATOM 1040 C SER A 66 4.823 -10.260 -1.302 1.00 0.00 C ATOM 1041 O SER A 66 4.548 -9.062 -1.361 1.00 0.00 O ATOM 1042 CB SER A 66 7.152 -11.189 -1.430 1.00 0.00 C ATOM 1043 OG SER A 66 7.306 -12.588 -1.258 1.00 0.00 O ATOM 0 H SER A 66 5.661 -10.240 -4.207 1.00 0.00 H new ATOM 0 HA SER A 66 5.480 -11.801 -2.623 1.00 0.00 H new ATOM 0 HB2 SER A 66 8.019 -10.786 -1.953 1.00 0.00 H new ATOM 0 HB3 SER A 66 7.112 -10.702 -0.456 1.00 0.00 H new ATOM 0 HG SER A 66 8.126 -12.767 -0.753 1.00 0.00 H new ATOM 1049 N LEU A 67 4.227 -11.103 -0.462 1.00 0.00 N ATOM 1050 CA LEU A 67 3.190 -10.660 0.461 1.00 0.00 C ATOM 1051 C LEU A 67 3.711 -10.576 1.894 1.00 0.00 C ATOM 1052 O LEU A 67 4.338 -11.510 2.394 1.00 0.00 O ATOM 1053 CB LEU A 67 1.993 -11.611 0.399 1.00 0.00 C ATOM 1054 CG LEU A 67 0.867 -11.307 1.390 1.00 0.00 C ATOM 1055 CD1 LEU A 67 -0.482 -11.685 0.799 1.00 0.00 C ATOM 1056 CD2 LEU A 67 1.104 -12.040 2.702 1.00 0.00 C ATOM 0 H LEU A 67 4.446 -12.097 -0.403 1.00 0.00 H new ATOM 0 HA LEU A 67 2.879 -9.660 0.157 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.583 -11.588 -0.611 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.347 -12.627 0.576 1.00 0.00 H new ATOM 0 HG LEU A 67 0.862 -10.236 1.591 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.270 -11.462 1.518 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.652 -11.115 -0.114 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.493 -12.750 0.569 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.295 -11.814 3.396 1.00 0.00 H new ATOM 0 HD22 LEU A 67 1.135 -13.114 2.518 1.00 0.00 H new ATOM 0 HD23 LEU A 67 2.052 -11.718 3.132 1.00 0.00 H new ATOM 1068 N PHE A 68 3.432 -9.454 2.552 1.00 0.00 N ATOM 1069 CA PHE A 68 3.855 -9.246 3.933 1.00 0.00 C ATOM 1070 C PHE A 68 2.699 -9.549 4.882 1.00 0.00 C ATOM 1071 O PHE A 68 2.900 -10.022 6.000 1.00 0.00 O ATOM 1072 CB PHE A 68 4.381 -7.807 4.110 1.00 0.00 C ATOM 1073 CG PHE A 68 3.623 -6.942 5.086 1.00 0.00 C ATOM 1074 CD1 PHE A 68 2.286 -6.639 4.887 1.00 0.00 C ATOM 1075 CD2 PHE A 68 4.263 -6.416 6.197 1.00 0.00 C ATOM 1076 CE1 PHE A 68 1.601 -5.831 5.775 1.00 0.00 C ATOM 1077 CE2 PHE A 68 3.585 -5.609 7.090 1.00 0.00 C ATOM 1078 CZ PHE A 68 2.251 -5.314 6.879 1.00 0.00 C ATOM 0 H PHE A 68 2.913 -8.673 2.149 1.00 0.00 H new ATOM 0 HA PHE A 68 4.670 -9.929 4.175 1.00 0.00 H new ATOM 0 HB2 PHE A 68 5.421 -7.858 4.432 1.00 0.00 H new ATOM 0 HB3 PHE A 68 4.373 -7.316 3.137 1.00 0.00 H new ATOM 0 HD1 PHE A 68 1.772 -7.040 4.026 1.00 0.00 H new ATOM 0 HD2 PHE A 68 5.306 -6.640 6.367 1.00 0.00 H new ATOM 0 HE1 PHE A 68 0.559 -5.604 5.606 1.00 0.00 H new ATOM 0 HE2 PHE A 68 4.097 -5.209 7.953 1.00 0.00 H new ATOM 0 HZ PHE A 68 1.719 -4.682 7.575 1.00 0.00 H new ATOM 1088 N GLU A 69 1.487 -9.278 4.411 1.00 0.00 N ATOM 1089 CA GLU A 69 0.279 -9.519 5.185 1.00 0.00 C ATOM 1090 C GLU A 69 -0.951 -9.307 4.309 1.00 0.00 C ATOM 1091 O GLU A 69 -0.874 -8.647 3.274 1.00 0.00 O ATOM 1092 CB GLU A 69 0.230 -8.595 6.403 1.00 0.00 C ATOM 1093 CG GLU A 69 -0.161 -9.307 7.688 1.00 0.00 C ATOM 1094 CD GLU A 69 -1.523 -8.881 8.203 1.00 0.00 C ATOM 1095 OE1 GLU A 69 -2.519 -9.069 7.472 1.00 0.00 O ATOM 1096 OE2 GLU A 69 -1.593 -8.359 9.335 1.00 0.00 O ATOM 0 H GLU A 69 1.316 -8.886 3.485 1.00 0.00 H new ATOM 0 HA GLU A 69 0.288 -10.551 5.537 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.207 -8.131 6.537 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -0.481 -7.791 6.211 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -0.163 -10.383 7.516 1.00 0.00 H new ATOM 0 HG3 GLU A 69 0.590 -9.107 8.452 1.00 0.00 H new ATOM 1103 N LYS A 70 -2.079 -9.867 4.720 1.00 0.00 N ATOM 1104 CA LYS A 70 -3.310 -9.723 3.955 1.00 0.00 C ATOM 1105 C LYS A 70 -4.516 -9.600 4.881 1.00 0.00 C ATOM 1106 O LYS A 70 -4.674 -10.385 5.815 1.00 0.00 O ATOM 1107 CB LYS A 70 -3.496 -10.914 3.014 1.00 0.00 C ATOM 1108 CG LYS A 70 -3.216 -12.257 3.669 1.00 0.00 C ATOM 1109 CD LYS A 70 -4.058 -13.364 3.055 1.00 0.00 C ATOM 1110 CE LYS A 70 -3.366 -13.988 1.853 1.00 0.00 C ATOM 1111 NZ LYS A 70 -2.258 -14.896 2.260 1.00 0.00 N ATOM 0 H LYS A 70 -2.168 -10.421 5.572 1.00 0.00 H new ATOM 0 HA LYS A 70 -3.233 -8.811 3.363 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -4.518 -10.910 2.635 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.836 -10.794 2.155 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -2.159 -12.501 3.563 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.422 -12.192 4.737 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.253 -14.132 3.803 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -5.025 -12.962 2.752 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -4.094 -14.545 1.264 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -2.972 -13.200 1.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -1.912 -15.416 1.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -1.481 -14.336 2.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -2.606 -15.571 2.971 1.00 0.00 H new ATOM 1125 N LEU A 71 -5.366 -8.614 4.614 1.00 0.00 N ATOM 1126 CA LEU A 71 -6.558 -8.395 5.423 1.00 0.00 C ATOM 1127 C LEU A 71 -7.817 -8.539 4.575 1.00 0.00 C ATOM 1128 O LEU A 71 -8.006 -7.815 3.596 1.00 0.00 O ATOM 1129 CB LEU A 71 -6.516 -7.010 6.071 1.00 0.00 C ATOM 1130 CG LEU A 71 -7.809 -6.573 6.762 1.00 0.00 C ATOM 1131 CD1 LEU A 71 -8.067 -7.419 7.999 1.00 0.00 C ATOM 1132 CD2 LEU A 71 -7.745 -5.097 7.125 1.00 0.00 C ATOM 0 H LEU A 71 -5.251 -7.955 3.844 1.00 0.00 H new ATOM 0 HA LEU A 71 -6.581 -9.150 6.209 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -5.709 -6.994 6.803 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -6.267 -6.276 5.305 1.00 0.00 H new ATOM 0 HG LEU A 71 -8.637 -6.721 6.069 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.991 -7.093 8.477 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.157 -8.466 7.711 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -7.238 -7.305 8.697 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -8.673 -4.802 7.616 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.907 -4.924 7.800 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.610 -4.505 6.220 1.00 0.00 H new ATOM 1144 N GLU A 72 -8.674 -9.479 4.955 1.00 0.00 N ATOM 1145 CA GLU A 72 -9.913 -9.721 4.232 1.00 0.00 C ATOM 1146 C GLU A 72 -11.121 -9.415 5.114 1.00 0.00 C ATOM 1147 O GLU A 72 -11.409 -10.140 6.067 1.00 0.00 O ATOM 1148 CB GLU A 72 -9.956 -11.175 3.748 1.00 0.00 C ATOM 1149 CG GLU A 72 -11.345 -11.656 3.365 1.00 0.00 C ATOM 1150 CD GLU A 72 -11.314 -12.912 2.517 1.00 0.00 C ATOM 1151 OE1 GLU A 72 -11.047 -13.998 3.074 1.00 0.00 O ATOM 1152 OE2 GLU A 72 -11.557 -12.812 1.296 1.00 0.00 O ATOM 0 H GLU A 72 -8.532 -10.087 5.762 1.00 0.00 H new ATOM 0 HA GLU A 72 -9.950 -9.058 3.367 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -9.296 -11.281 2.887 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -9.562 -11.821 4.533 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -11.922 -11.847 4.270 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -11.861 -10.866 2.819 1.00 0.00 H new ATOM 1159 N TYR A 73 -11.827 -8.338 4.786 1.00 0.00 N ATOM 1160 CA TYR A 73 -13.006 -7.935 5.542 1.00 0.00 C ATOM 1161 C TYR A 73 -14.093 -7.418 4.606 1.00 0.00 C ATOM 1162 O TYR A 73 -13.800 -6.802 3.581 1.00 0.00 O ATOM 1163 CB TYR A 73 -12.642 -6.861 6.570 1.00 0.00 C ATOM 1164 CG TYR A 73 -12.187 -5.556 5.954 1.00 0.00 C ATOM 1165 CD1 TYR A 73 -11.056 -5.503 5.148 1.00 0.00 C ATOM 1166 CD2 TYR A 73 -12.887 -4.379 6.180 1.00 0.00 C ATOM 1167 CE1 TYR A 73 -10.637 -4.313 4.584 1.00 0.00 C ATOM 1168 CE2 TYR A 73 -12.476 -3.184 5.620 1.00 0.00 C ATOM 1169 CZ TYR A 73 -11.350 -3.157 4.823 1.00 0.00 C ATOM 1170 OH TYR A 73 -10.936 -1.969 4.265 1.00 0.00 O ATOM 0 H TYR A 73 -11.602 -7.728 4.000 1.00 0.00 H new ATOM 0 HA TYR A 73 -13.388 -8.809 6.069 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -13.508 -6.670 7.205 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -11.851 -7.243 7.216 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -10.495 -6.407 4.959 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -13.768 -4.397 6.804 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -9.756 -4.288 3.960 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -13.033 -2.277 5.805 1.00 0.00 H new ATOM 0 HH TYR A 73 -11.548 -1.252 4.531 1.00 0.00 H new ATOM 1180 N GLU A 74 -15.348 -7.671 4.962 1.00 0.00 N ATOM 1181 CA GLU A 74 -16.473 -7.225 4.147 1.00 0.00 C ATOM 1182 C GLU A 74 -17.399 -6.312 4.939 1.00 0.00 C ATOM 1183 O GLU A 74 -17.942 -6.699 5.974 1.00 0.00 O ATOM 1184 CB GLU A 74 -17.260 -8.422 3.605 1.00 0.00 C ATOM 1185 CG GLU A 74 -17.499 -9.516 4.633 1.00 0.00 C ATOM 1186 CD GLU A 74 -17.728 -10.873 3.996 1.00 0.00 C ATOM 1187 OE1 GLU A 74 -16.761 -11.441 3.446 1.00 0.00 O ATOM 1188 OE2 GLU A 74 -18.874 -11.368 4.050 1.00 0.00 O ATOM 0 H GLU A 74 -15.611 -8.180 5.806 1.00 0.00 H new ATOM 0 HA GLU A 74 -16.067 -6.661 3.308 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -18.222 -8.073 3.230 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -16.722 -8.845 2.757 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -16.642 -9.573 5.304 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -18.364 -9.254 5.243 1.00 0.00 H new ATOM 1195 N PHE A 75 -17.580 -5.100 4.432 1.00 0.00 N ATOM 1196 CA PHE A 75 -18.443 -4.116 5.065 1.00 0.00 C ATOM 1197 C PHE A 75 -19.909 -4.529 4.938 1.00 0.00 C ATOM 1198 O PHE A 75 -20.248 -5.380 4.120 1.00 0.00 O ATOM 1199 CB PHE A 75 -18.222 -2.742 4.428 1.00 0.00 C ATOM 1200 CG PHE A 75 -17.482 -1.780 5.313 1.00 0.00 C ATOM 1201 CD1 PHE A 75 -16.218 -2.090 5.790 1.00 0.00 C ATOM 1202 CD2 PHE A 75 -18.048 -0.565 5.665 1.00 0.00 C ATOM 1203 CE1 PHE A 75 -15.533 -1.208 6.604 1.00 0.00 C ATOM 1204 CE2 PHE A 75 -17.368 0.322 6.479 1.00 0.00 C ATOM 1205 CZ PHE A 75 -16.109 0.000 6.949 1.00 0.00 C ATOM 0 H PHE A 75 -17.134 -4.774 3.574 1.00 0.00 H new ATOM 0 HA PHE A 75 -18.192 -4.060 6.124 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -17.667 -2.867 3.498 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -19.189 -2.312 4.167 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -15.763 -3.032 5.522 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -19.031 -0.308 5.299 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -14.549 -1.462 6.970 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -17.820 1.265 6.747 1.00 0.00 H new ATOM 0 HZ PHE A 75 -15.576 0.691 7.585 1.00 0.00 H new ATOM 1215 N PRO A 76 -20.797 -3.931 5.752 1.00 0.00 N ATOM 1216 CA PRO A 76 -22.229 -4.233 5.731 1.00 0.00 C ATOM 1217 C PRO A 76 -22.815 -4.134 4.327 1.00 0.00 C ATOM 1218 O PRO A 76 -23.373 -3.106 3.947 1.00 0.00 O ATOM 1219 CB PRO A 76 -22.850 -3.169 6.651 1.00 0.00 C ATOM 1220 CG PRO A 76 -21.771 -2.166 6.890 1.00 0.00 C ATOM 1221 CD PRO A 76 -20.475 -2.908 6.747 1.00 0.00 C ATOM 0 HA PRO A 76 -22.430 -5.253 6.057 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -23.719 -2.706 6.184 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -23.189 -3.611 7.588 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -21.833 -1.348 6.172 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -21.861 -1.726 7.883 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -19.670 -2.255 6.410 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -20.154 -3.348 7.691 1.00 0.00 H new ATOM 1229 N ASP A 77 -22.664 -5.221 3.572 1.00 0.00 N ATOM 1230 CA ASP A 77 -23.155 -5.324 2.188 1.00 0.00 C ATOM 1231 C ASP A 77 -22.054 -4.989 1.182 1.00 0.00 C ATOM 1232 O ASP A 77 -22.329 -4.754 0.006 1.00 0.00 O ATOM 1233 CB ASP A 77 -24.375 -4.427 1.945 1.00 0.00 C ATOM 1234 CG ASP A 77 -25.445 -4.602 3.005 1.00 0.00 C ATOM 1235 OD1 ASP A 77 -25.790 -5.762 3.316 1.00 0.00 O ATOM 1236 OD2 ASP A 77 -25.939 -3.579 3.525 1.00 0.00 O ATOM 0 H ASP A 77 -22.195 -6.065 3.901 1.00 0.00 H new ATOM 0 HA ASP A 77 -23.461 -6.360 2.042 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -24.057 -3.385 1.923 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -24.798 -4.652 0.966 1.00 0.00 H new ATOM 1241 N ARG A 78 -20.809 -4.978 1.649 1.00 0.00 N ATOM 1242 CA ARG A 78 -19.667 -4.685 0.789 1.00 0.00 C ATOM 1243 C ARG A 78 -18.514 -5.640 1.085 1.00 0.00 C ATOM 1244 O ARG A 78 -18.359 -6.107 2.212 1.00 0.00 O ATOM 1245 CB ARG A 78 -19.214 -3.236 0.983 1.00 0.00 C ATOM 1246 CG ARG A 78 -18.157 -2.789 -0.016 1.00 0.00 C ATOM 1247 CD ARG A 78 -16.806 -2.576 0.652 1.00 0.00 C ATOM 1248 NE ARG A 78 -16.129 -1.382 0.151 1.00 0.00 N ATOM 1249 CZ ARG A 78 -15.132 -0.773 0.788 1.00 0.00 C ATOM 1250 NH1 ARG A 78 -14.694 -1.240 1.950 1.00 0.00 N ATOM 1251 NH2 ARG A 78 -14.570 0.307 0.261 1.00 0.00 N ATOM 0 H ARG A 78 -20.565 -5.169 2.621 1.00 0.00 H new ATOM 0 HA ARG A 78 -19.973 -4.822 -0.248 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -20.080 -2.579 0.901 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -18.820 -3.119 1.993 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -18.060 -3.537 -0.803 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -18.477 -1.863 -0.494 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -16.944 -2.489 1.730 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -16.176 -3.449 0.481 1.00 0.00 H new ATOM 0 HE ARG A 78 -16.439 -0.992 -0.739 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -15.122 -2.070 2.360 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -13.929 -0.769 2.433 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -14.902 0.670 -0.632 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -13.806 0.774 0.749 1.00 0.00 H new ATOM 1265 N HIS A 79 -17.709 -5.930 0.069 1.00 0.00 N ATOM 1266 CA HIS A 79 -16.572 -6.830 0.227 1.00 0.00 C ATOM 1267 C HIS A 79 -15.277 -6.151 -0.204 1.00 0.00 C ATOM 1268 O HIS A 79 -15.030 -5.964 -1.396 1.00 0.00 O ATOM 1269 CB HIS A 79 -16.788 -8.107 -0.588 1.00 0.00 C ATOM 1270 CG HIS A 79 -15.774 -9.172 -0.310 1.00 0.00 C ATOM 1271 ND1 HIS A 79 -15.734 -10.129 0.646 1.00 0.00 N flip ATOM 1272 CD2 HIS A 79 -14.631 -9.339 -1.065 1.00 0.00 C flip ATOM 1273 CE1 HIS A 79 -14.580 -10.849 0.453 1.00 0.00 C flip ATOM 1274 NE2 HIS A 79 -13.933 -10.354 -0.586 1.00 0.00 N flip ATOM 0 H HIS A 79 -17.822 -5.555 -0.873 1.00 0.00 H new ATOM 0 HA HIS A 79 -16.491 -7.090 1.282 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -17.783 -8.500 -0.376 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -16.762 -7.860 -1.649 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -14.351 -8.734 -1.915 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -14.255 -11.685 1.054 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -13.046 -10.696 -0.956 1.00 0.00 H new ATOM 1283 N ILE A 80 -14.453 -5.780 0.772 1.00 0.00 N ATOM 1284 CA ILE A 80 -13.190 -5.119 0.496 1.00 0.00 C ATOM 1285 C ILE A 80 -12.011 -6.028 0.840 1.00 0.00 C ATOM 1286 O ILE A 80 -11.764 -6.329 2.007 1.00 0.00 O ATOM 1287 CB ILE A 80 -13.075 -3.798 1.288 1.00 0.00 C ATOM 1288 CG1 ILE A 80 -11.652 -3.252 1.216 1.00 0.00 C ATOM 1289 CG2 ILE A 80 -13.490 -4.007 2.737 1.00 0.00 C ATOM 1290 CD1 ILE A 80 -11.584 -1.743 1.119 1.00 0.00 C ATOM 0 H ILE A 80 -14.642 -5.929 1.763 1.00 0.00 H new ATOM 0 HA ILE A 80 -13.163 -4.895 -0.570 1.00 0.00 H new ATOM 0 HB ILE A 80 -13.748 -3.068 0.837 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -11.103 -3.576 2.100 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -11.149 -3.686 0.352 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -13.403 -3.066 3.280 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -14.523 -4.352 2.773 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -12.842 -4.753 3.197 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -10.542 -1.428 1.072 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -12.104 -1.412 0.220 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -12.057 -1.300 1.995 1.00 0.00 H new ATOM 1302 N THR A 81 -11.283 -6.457 -0.187 1.00 0.00 N ATOM 1303 CA THR A 81 -10.126 -7.324 0.000 1.00 0.00 C ATOM 1304 C THR A 81 -8.839 -6.506 -0.023 1.00 0.00 C ATOM 1305 O THR A 81 -8.525 -5.863 -1.021 1.00 0.00 O ATOM 1306 CB THR A 81 -10.090 -8.386 -1.101 1.00 0.00 C ATOM 1307 OG1 THR A 81 -11.006 -8.069 -2.134 1.00 0.00 O ATOM 1308 CG2 THR A 81 -10.424 -9.776 -0.607 1.00 0.00 C ATOM 0 H THR A 81 -11.475 -6.217 -1.160 1.00 0.00 H new ATOM 0 HA THR A 81 -10.209 -7.815 0.970 1.00 0.00 H new ATOM 0 HB THR A 81 -9.063 -8.385 -1.466 1.00 0.00 H new ATOM 0 HG1 THR A 81 -11.506 -8.873 -2.386 1.00 0.00 H new ATOM 0 HG21 THR A 81 -10.380 -10.478 -1.439 1.00 0.00 H new ATOM 0 HG22 THR A 81 -9.706 -10.073 0.157 1.00 0.00 H new ATOM 0 HG23 THR A 81 -11.428 -9.780 -0.182 1.00 0.00 H new ATOM 1316 N LEU A 82 -8.096 -6.525 1.080 1.00 0.00 N ATOM 1317 CA LEU A 82 -6.851 -5.767 1.163 1.00 0.00 C ATOM 1318 C LEU A 82 -5.641 -6.682 1.309 1.00 0.00 C ATOM 1319 O LEU A 82 -5.482 -7.366 2.320 1.00 0.00 O ATOM 1320 CB LEU A 82 -6.908 -4.789 2.337 1.00 0.00 C ATOM 1321 CG LEU A 82 -7.392 -3.382 1.981 1.00 0.00 C ATOM 1322 CD1 LEU A 82 -7.821 -2.633 3.231 1.00 0.00 C ATOM 1323 CD2 LEU A 82 -6.303 -2.616 1.244 1.00 0.00 C ATOM 0 H LEU A 82 -8.331 -7.052 1.921 1.00 0.00 H new ATOM 0 HA LEU A 82 -6.740 -5.213 0.231 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -7.566 -5.201 3.102 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -5.914 -4.715 2.778 1.00 0.00 H new ATOM 0 HG LEU A 82 -8.256 -3.470 1.322 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -8.162 -1.634 2.958 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -8.633 -3.173 3.718 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -6.976 -2.553 3.915 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -6.664 -1.617 0.998 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -5.420 -2.537 1.879 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -6.044 -3.144 0.326 1.00 0.00 H new ATOM 1335 N TRP A 83 -4.781 -6.679 0.292 1.00 0.00 N ATOM 1336 CA TRP A 83 -3.574 -7.497 0.306 1.00 0.00 C ATOM 1337 C TRP A 83 -2.343 -6.619 0.469 1.00 0.00 C ATOM 1338 O TRP A 83 -2.100 -5.720 -0.335 1.00 0.00 O ATOM 1339 CB TRP A 83 -3.454 -8.312 -0.984 1.00 0.00 C ATOM 1340 CG TRP A 83 -4.555 -9.308 -1.164 1.00 0.00 C ATOM 1341 CD1 TRP A 83 -5.857 -9.152 -0.802 1.00 0.00 C ATOM 1342 CD2 TRP A 83 -4.450 -10.611 -1.746 1.00 0.00 C ATOM 1343 NE1 TRP A 83 -6.576 -10.275 -1.124 1.00 0.00 N ATOM 1344 CE2 TRP A 83 -5.734 -11.188 -1.705 1.00 0.00 C ATOM 1345 CE3 TRP A 83 -3.399 -11.347 -2.300 1.00 0.00 C ATOM 1346 CZ2 TRP A 83 -5.993 -12.465 -2.196 1.00 0.00 C ATOM 1347 CZ3 TRP A 83 -3.657 -12.614 -2.786 1.00 0.00 C ATOM 1348 CH2 TRP A 83 -4.946 -13.162 -2.733 1.00 0.00 C ATOM 0 H TRP A 83 -4.900 -6.118 -0.552 1.00 0.00 H new ATOM 0 HA TRP A 83 -3.642 -8.183 1.150 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -3.448 -7.631 -1.835 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -2.498 -8.835 -0.987 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -6.266 -8.271 -0.329 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -7.574 -10.409 -0.958 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -2.403 -10.933 -2.347 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -6.985 -12.890 -2.154 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -2.852 -13.192 -3.214 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -5.116 -14.154 -3.124 1.00 0.00 H new ATOM 1359 N PHE A 84 -1.567 -6.886 1.507 1.00 0.00 N ATOM 1360 CA PHE A 84 -0.355 -6.112 1.764 1.00 0.00 C ATOM 1361 C PHE A 84 0.883 -6.872 1.283 1.00 0.00 C ATOM 1362 O PHE A 84 1.095 -8.028 1.652 1.00 0.00 O ATOM 1363 CB PHE A 84 -0.227 -5.765 3.253 1.00 0.00 C ATOM 1364 CG PHE A 84 -1.156 -4.670 3.713 1.00 0.00 C ATOM 1365 CD1 PHE A 84 -2.455 -4.590 3.234 1.00 0.00 C ATOM 1366 CD2 PHE A 84 -0.727 -3.720 4.630 1.00 0.00 C ATOM 1367 CE1 PHE A 84 -3.305 -3.587 3.657 1.00 0.00 C ATOM 1368 CE2 PHE A 84 -1.575 -2.715 5.057 1.00 0.00 C ATOM 1369 CZ PHE A 84 -2.864 -2.649 4.569 1.00 0.00 C ATOM 0 H PHE A 84 -1.750 -7.627 2.184 1.00 0.00 H new ATOM 0 HA PHE A 84 -0.428 -5.179 1.204 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -0.420 -6.662 3.842 1.00 0.00 H new ATOM 0 HB3 PHE A 84 0.801 -5.465 3.458 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -2.806 -5.321 2.521 1.00 0.00 H new ATOM 0 HD2 PHE A 84 0.281 -3.767 5.014 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -4.314 -3.536 3.275 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -1.229 -1.983 5.771 1.00 0.00 H new ATOM 0 HZ PHE A 84 -3.528 -1.864 4.900 1.00 0.00 H new ATOM 1379 N TRP A 85 1.686 -6.221 0.440 1.00 0.00 N ATOM 1380 CA TRP A 85 2.891 -6.842 -0.113 1.00 0.00 C ATOM 1381 C TRP A 85 4.166 -6.268 0.504 1.00 0.00 C ATOM 1382 O TRP A 85 4.212 -5.097 0.881 1.00 0.00 O ATOM 1383 CB TRP A 85 2.922 -6.666 -1.631 1.00 0.00 C ATOM 1384 CG TRP A 85 1.813 -7.393 -2.328 1.00 0.00 C ATOM 1385 CD1 TRP A 85 0.478 -7.292 -2.066 1.00 0.00 C ATOM 1386 CD2 TRP A 85 1.943 -8.336 -3.398 1.00 0.00 C ATOM 1387 NE1 TRP A 85 -0.231 -8.114 -2.907 1.00 0.00 N ATOM 1388 CE2 TRP A 85 0.646 -8.765 -3.734 1.00 0.00 C ATOM 1389 CE3 TRP A 85 3.030 -8.859 -4.104 1.00 0.00 C ATOM 1390 CZ2 TRP A 85 0.407 -9.691 -4.747 1.00 0.00 C ATOM 1391 CZ3 TRP A 85 2.792 -9.777 -5.108 1.00 0.00 C ATOM 1392 CH2 TRP A 85 1.489 -10.185 -5.422 1.00 0.00 C ATOM 0 H TRP A 85 1.524 -5.264 0.125 1.00 0.00 H new ATOM 0 HA TRP A 85 2.854 -7.903 0.133 1.00 0.00 H new ATOM 0 HB2 TRP A 85 2.859 -5.604 -1.869 1.00 0.00 H new ATOM 0 HB3 TRP A 85 3.879 -7.022 -2.013 1.00 0.00 H new ATOM 0 HD1 TRP A 85 0.042 -6.658 -1.308 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -1.245 -8.222 -2.915 1.00 0.00 H new ATOM 0 HE3 TRP A 85 4.038 -8.551 -3.869 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 -0.597 -10.007 -4.990 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 3.624 -10.187 -5.660 1.00 0.00 H new ATOM 0 HH2 TRP A 85 1.336 -10.904 -6.213 1.00 0.00 H new ATOM 1403 N LEU A 86 5.200 -7.106 0.603 1.00 0.00 N ATOM 1404 CA LEU A 86 6.477 -6.685 1.175 1.00 0.00 C ATOM 1405 C LEU A 86 7.479 -6.303 0.085 1.00 0.00 C ATOM 1406 O LEU A 86 8.066 -7.159 -0.570 1.00 0.00 O ATOM 1407 CB LEU A 86 7.061 -7.792 2.056 1.00 0.00 C ATOM 1408 CG LEU A 86 7.578 -9.020 1.303 1.00 0.00 C ATOM 1409 CD1 LEU A 86 9.095 -8.986 1.199 1.00 0.00 C ATOM 1410 CD2 LEU A 86 7.118 -10.300 1.988 1.00 0.00 C ATOM 0 H LEU A 86 5.177 -8.078 0.295 1.00 0.00 H new ATOM 0 HA LEU A 86 6.288 -5.803 1.787 1.00 0.00 H new ATOM 0 HB2 LEU A 86 7.879 -7.374 2.642 1.00 0.00 H new ATOM 0 HB3 LEU A 86 6.296 -8.114 2.762 1.00 0.00 H new ATOM 0 HG LEU A 86 7.165 -9.002 0.294 1.00 0.00 H new ATOM 0 HD11 LEU A 86 9.443 -9.868 0.660 1.00 0.00 H new ATOM 0 HD12 LEU A 86 9.403 -8.088 0.663 1.00 0.00 H new ATOM 0 HD13 LEU A 86 9.528 -8.978 2.199 1.00 0.00 H new ATOM 0 HD21 LEU A 86 7.495 -11.162 1.438 1.00 0.00 H new ATOM 0 HD22 LEU A 86 7.501 -10.324 3.008 1.00 0.00 H new ATOM 0 HD23 LEU A 86 6.029 -10.331 2.008 1.00 0.00 H new ATOM 1422 N VAL A 87 7.672 -5.005 -0.087 1.00 0.00 N ATOM 1423 CA VAL A 87 8.600 -4.473 -1.081 1.00 0.00 C ATOM 1424 C VAL A 87 10.002 -4.420 -0.543 1.00 0.00 C ATOM 1425 O VAL A 87 10.207 -4.168 0.645 1.00 0.00 O ATOM 1426 CB VAL A 87 8.214 -3.059 -1.476 1.00 0.00 C ATOM 1427 CG1 VAL A 87 9.103 -2.531 -2.592 1.00 0.00 C ATOM 1428 CG2 VAL A 87 6.748 -3.022 -1.864 1.00 0.00 C ATOM 0 H VAL A 87 7.192 -4.288 0.457 1.00 0.00 H new ATOM 0 HA VAL A 87 8.552 -5.139 -1.942 1.00 0.00 H new ATOM 0 HB VAL A 87 8.364 -2.401 -0.620 1.00 0.00 H new ATOM 0 HG11 VAL A 87 8.799 -1.517 -2.850 1.00 0.00 H new ATOM 0 HG12 VAL A 87 10.141 -2.525 -2.259 1.00 0.00 H new ATOM 0 HG13 VAL A 87 9.007 -3.172 -3.468 1.00 0.00 H new ATOM 0 HG21 VAL A 87 6.472 -2.006 -2.147 1.00 0.00 H new ATOM 0 HG22 VAL A 87 6.577 -3.693 -2.706 1.00 0.00 H new ATOM 0 HG23 VAL A 87 6.139 -3.340 -1.018 1.00 0.00 H new ATOM 1438 N GLU A 88 10.976 -4.666 -1.402 1.00 0.00 N ATOM 1439 CA GLU A 88 12.348 -4.641 -0.943 1.00 0.00 C ATOM 1440 C GLU A 88 13.139 -3.416 -1.421 1.00 0.00 C ATOM 1441 O GLU A 88 14.032 -2.954 -0.710 1.00 0.00 O ATOM 1442 CB GLU A 88 13.070 -5.927 -1.353 1.00 0.00 C ATOM 1443 CG GLU A 88 14.522 -5.983 -0.905 1.00 0.00 C ATOM 1444 CD GLU A 88 14.786 -7.098 0.088 1.00 0.00 C ATOM 1445 OE1 GLU A 88 14.251 -7.030 1.214 1.00 0.00 O ATOM 1446 OE2 GLU A 88 15.528 -8.041 -0.262 1.00 0.00 O ATOM 0 H GLU A 88 10.847 -4.879 -2.391 1.00 0.00 H new ATOM 0 HA GLU A 88 12.301 -4.569 0.144 1.00 0.00 H new ATOM 0 HB2 GLU A 88 12.537 -6.781 -0.935 1.00 0.00 H new ATOM 0 HB3 GLU A 88 13.030 -6.026 -2.438 1.00 0.00 H new ATOM 0 HG2 GLU A 88 15.162 -6.120 -1.777 1.00 0.00 H new ATOM 0 HG3 GLU A 88 14.796 -5.029 -0.455 1.00 0.00 H new ATOM 1453 N ARG A 89 12.844 -2.889 -2.610 1.00 0.00 N ATOM 1454 CA ARG A 89 13.591 -1.732 -3.103 1.00 0.00 C ATOM 1455 C ARG A 89 12.854 -1.032 -4.239 1.00 0.00 C ATOM 1456 O ARG A 89 11.937 -1.595 -4.833 1.00 0.00 O ATOM 1457 CB ARG A 89 15.005 -2.178 -3.531 1.00 0.00 C ATOM 1458 CG ARG A 89 15.471 -1.681 -4.899 1.00 0.00 C ATOM 1459 CD ARG A 89 16.156 -0.327 -4.799 1.00 0.00 C ATOM 1460 NE ARG A 89 17.604 -0.433 -4.960 1.00 0.00 N ATOM 1461 CZ ARG A 89 18.453 0.556 -4.692 1.00 0.00 C ATOM 1462 NH1 ARG A 89 18.005 1.726 -4.254 1.00 0.00 N ATOM 1463 NH2 ARG A 89 19.756 0.375 -4.864 1.00 0.00 N ATOM 0 H ARG A 89 12.114 -3.233 -3.234 1.00 0.00 H new ATOM 0 HA ARG A 89 13.682 -1.003 -2.298 1.00 0.00 H new ATOM 0 HB2 ARG A 89 15.717 -1.837 -2.779 1.00 0.00 H new ATOM 0 HB3 ARG A 89 15.038 -3.267 -3.530 1.00 0.00 H new ATOM 0 HG2 ARG A 89 16.158 -2.406 -5.335 1.00 0.00 H new ATOM 0 HG3 ARG A 89 14.616 -1.608 -5.571 1.00 0.00 H new ATOM 0 HD2 ARG A 89 15.754 0.340 -5.562 1.00 0.00 H new ATOM 0 HD3 ARG A 89 15.931 0.123 -3.832 1.00 0.00 H new ATOM 0 HE ARG A 89 17.986 -1.316 -5.297 1.00 0.00 H new ATOM 0 HH11 ARG A 89 17.004 1.871 -4.121 1.00 0.00 H new ATOM 0 HH12 ARG A 89 18.661 2.480 -4.051 1.00 0.00 H new ATOM 0 HH21 ARG A 89 20.106 -0.522 -5.201 1.00 0.00 H new ATOM 0 HH22 ARG A 89 20.408 1.132 -4.659 1.00 0.00 H new ATOM 1477 N TRP A 90 13.279 0.192 -4.552 1.00 0.00 N ATOM 1478 CA TRP A 90 12.670 0.949 -5.636 1.00 0.00 C ATOM 1479 C TRP A 90 13.679 1.886 -6.294 1.00 0.00 C ATOM 1480 O TRP A 90 14.466 2.544 -5.613 1.00 0.00 O ATOM 1481 CB TRP A 90 11.432 1.705 -5.144 1.00 0.00 C ATOM 1482 CG TRP A 90 11.714 3.001 -4.451 1.00 0.00 C ATOM 1483 CD1 TRP A 90 12.167 4.155 -5.020 1.00 0.00 C ATOM 1484 CD2 TRP A 90 11.534 3.279 -3.059 1.00 0.00 C ATOM 1485 NE1 TRP A 90 12.275 5.137 -4.066 1.00 0.00 N ATOM 1486 CE2 TRP A 90 11.891 4.624 -2.855 1.00 0.00 C ATOM 1487 CE3 TRP A 90 11.104 2.524 -1.965 1.00 0.00 C ATOM 1488 CZ2 TRP A 90 11.827 5.230 -1.607 1.00 0.00 C ATOM 1489 CZ3 TRP A 90 11.042 3.129 -0.722 1.00 0.00 C ATOM 1490 CH2 TRP A 90 11.400 4.470 -0.553 1.00 0.00 C ATOM 0 H TRP A 90 14.038 0.675 -4.071 1.00 0.00 H new ATOM 0 HA TRP A 90 12.344 0.243 -6.399 1.00 0.00 H new ATOM 0 HB2 TRP A 90 10.782 1.901 -5.997 1.00 0.00 H new ATOM 0 HB3 TRP A 90 10.878 1.059 -4.463 1.00 0.00 H new ATOM 0 HD1 TRP A 90 12.405 4.278 -6.066 1.00 0.00 H new ATOM 0 HE1 TRP A 90 12.590 6.093 -4.232 1.00 0.00 H new ATOM 0 HE3 TRP A 90 10.825 1.488 -2.087 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 12.105 6.265 -1.473 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 10.712 2.556 0.132 1.00 0.00 H new ATOM 0 HH2 TRP A 90 11.338 4.915 0.429 1.00 0.00 H new ATOM 1501 N GLU A 91 13.660 1.932 -7.631 1.00 0.00 N ATOM 1502 CA GLU A 91 14.586 2.779 -8.373 1.00 0.00 C ATOM 1503 C GLU A 91 14.188 4.243 -8.257 1.00 0.00 C ATOM 1504 O GLU A 91 13.017 4.589 -8.398 1.00 0.00 O ATOM 1505 CB GLU A 91 14.628 2.360 -9.845 1.00 0.00 C ATOM 1506 CG GLU A 91 15.803 1.456 -10.184 1.00 0.00 C ATOM 1507 CD GLU A 91 16.391 1.752 -11.550 1.00 0.00 C ATOM 1508 OE1 GLU A 91 16.842 2.896 -11.767 1.00 0.00 O ATOM 1509 OE2 GLU A 91 16.399 0.839 -12.403 1.00 0.00 O ATOM 0 H GLU A 91 13.017 1.395 -8.213 1.00 0.00 H new ATOM 0 HA GLU A 91 15.580 2.656 -7.943 1.00 0.00 H new ATOM 0 HB2 GLU A 91 13.700 1.846 -10.095 1.00 0.00 H new ATOM 0 HB3 GLU A 91 14.675 3.253 -10.468 1.00 0.00 H new ATOM 0 HG2 GLU A 91 16.577 1.573 -9.426 1.00 0.00 H new ATOM 0 HG3 GLU A 91 15.478 0.416 -10.150 1.00 0.00 H new ATOM 1516 N GLY A 92 15.168 5.099 -7.988 1.00 0.00 N ATOM 1517 CA GLY A 92 14.887 6.514 -7.848 1.00 0.00 C ATOM 1518 C GLY A 92 13.753 6.770 -6.880 1.00 0.00 C ATOM 1519 O GLY A 92 13.909 6.604 -5.670 1.00 0.00 O ATOM 0 H GLY A 92 16.147 4.839 -7.865 1.00 0.00 H new ATOM 0 HA2 GLY A 92 15.783 7.030 -7.502 1.00 0.00 H new ATOM 0 HA3 GLY A 92 14.634 6.932 -8.822 1.00 0.00 H new ATOM 1523 N GLU A 93 12.609 7.164 -7.416 1.00 0.00 N ATOM 1524 CA GLU A 93 11.439 7.436 -6.595 1.00 0.00 C ATOM 1525 C GLU A 93 10.184 6.826 -7.211 1.00 0.00 C ATOM 1526 O GLU A 93 10.014 6.845 -8.430 1.00 0.00 O ATOM 1527 CB GLU A 93 11.262 8.939 -6.418 1.00 0.00 C ATOM 1528 CG GLU A 93 12.544 9.632 -6.004 1.00 0.00 C ATOM 1529 CD GLU A 93 12.318 11.060 -5.548 1.00 0.00 C ATOM 1530 OE1 GLU A 93 11.835 11.251 -4.412 1.00 0.00 O ATOM 1531 OE2 GLU A 93 12.625 11.987 -6.325 1.00 0.00 O ATOM 0 H GLU A 93 12.465 7.303 -8.416 1.00 0.00 H new ATOM 0 HA GLU A 93 11.594 6.978 -5.618 1.00 0.00 H new ATOM 0 HB2 GLU A 93 10.905 9.372 -7.353 1.00 0.00 H new ATOM 0 HB3 GLU A 93 10.494 9.125 -5.667 1.00 0.00 H new ATOM 0 HG2 GLU A 93 13.013 9.068 -5.198 1.00 0.00 H new ATOM 0 HG3 GLU A 93 13.241 9.629 -6.842 1.00 0.00 H new ATOM 1538 N PRO A 94 9.274 6.290 -6.378 1.00 0.00 N ATOM 1539 CA PRO A 94 8.030 5.696 -6.855 1.00 0.00 C ATOM 1540 C PRO A 94 7.036 6.776 -7.248 1.00 0.00 C ATOM 1541 O PRO A 94 6.776 7.699 -6.477 1.00 0.00 O ATOM 1542 CB PRO A 94 7.509 4.898 -5.647 1.00 0.00 C ATOM 1543 CG PRO A 94 8.572 4.998 -4.598 1.00 0.00 C ATOM 1544 CD PRO A 94 9.362 6.234 -4.919 1.00 0.00 C ATOM 0 HA PRO A 94 8.175 5.075 -7.739 1.00 0.00 H new ATOM 0 HB2 PRO A 94 6.565 5.307 -5.287 1.00 0.00 H new ATOM 0 HB3 PRO A 94 7.323 3.858 -5.917 1.00 0.00 H new ATOM 0 HG2 PRO A 94 8.132 5.065 -3.603 1.00 0.00 H new ATOM 0 HG3 PRO A 94 9.211 4.115 -4.606 1.00 0.00 H new ATOM 0 HD2 PRO A 94 8.936 7.122 -4.452 1.00 0.00 H new ATOM 0 HD3 PRO A 94 10.394 6.157 -4.576 1.00 0.00 H new ATOM 1552 N TRP A 95 6.491 6.672 -8.451 1.00 0.00 N ATOM 1553 CA TRP A 95 5.542 7.664 -8.925 1.00 0.00 C ATOM 1554 C TRP A 95 4.229 7.032 -9.351 1.00 0.00 C ATOM 1555 O TRP A 95 3.168 7.364 -8.827 1.00 0.00 O ATOM 1556 CB TRP A 95 6.128 8.449 -10.101 1.00 0.00 C ATOM 1557 CG TRP A 95 6.808 7.596 -11.139 1.00 0.00 C ATOM 1558 CD1 TRP A 95 8.112 7.206 -11.143 1.00 0.00 C ATOM 1559 CD2 TRP A 95 6.223 7.033 -12.324 1.00 0.00 C ATOM 1560 NE1 TRP A 95 8.388 6.457 -12.264 1.00 0.00 N ATOM 1561 CE2 TRP A 95 7.245 6.339 -13.005 1.00 0.00 C ATOM 1562 CE3 TRP A 95 4.940 7.050 -12.880 1.00 0.00 C ATOM 1563 CZ2 TRP A 95 7.022 5.677 -14.210 1.00 0.00 C ATOM 1564 CZ3 TRP A 95 4.721 6.390 -14.075 1.00 0.00 C ATOM 1565 CH2 TRP A 95 5.758 5.714 -14.730 1.00 0.00 C ATOM 0 H TRP A 95 6.688 5.918 -9.110 1.00 0.00 H new ATOM 0 HA TRP A 95 5.345 8.340 -8.093 1.00 0.00 H new ATOM 0 HB2 TRP A 95 5.328 9.014 -10.580 1.00 0.00 H new ATOM 0 HB3 TRP A 95 6.845 9.174 -9.717 1.00 0.00 H new ATOM 0 HD1 TRP A 95 8.830 7.450 -10.374 1.00 0.00 H new ATOM 0 HE1 TRP A 95 9.295 6.056 -12.503 1.00 0.00 H new ATOM 0 HE3 TRP A 95 4.134 7.570 -12.384 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 7.819 5.153 -14.716 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 3.733 6.396 -14.511 1.00 0.00 H new ATOM 0 HH2 TRP A 95 5.555 5.212 -15.664 1.00 0.00 H new ATOM 1576 N GLY A 96 4.315 6.130 -10.317 1.00 0.00 N ATOM 1577 CA GLY A 96 3.128 5.462 -10.830 1.00 0.00 C ATOM 1578 C GLY A 96 1.938 6.396 -10.968 1.00 0.00 C ATOM 1579 O GLY A 96 1.801 7.096 -11.971 1.00 0.00 O ATOM 0 H GLY A 96 5.189 5.845 -10.759 1.00 0.00 H new ATOM 0 HA2 GLY A 96 3.355 5.025 -11.802 1.00 0.00 H new ATOM 0 HA3 GLY A 96 2.863 4.640 -10.165 1.00 0.00 H new ATOM 1583 N LYS A 97 1.080 6.404 -9.951 1.00 0.00 N ATOM 1584 CA LYS A 97 -0.106 7.254 -9.947 1.00 0.00 C ATOM 1585 C LYS A 97 -0.939 7.021 -8.688 1.00 0.00 C ATOM 1586 O LYS A 97 -2.169 7.031 -8.737 1.00 0.00 O ATOM 1587 CB LYS A 97 -0.959 6.989 -11.191 1.00 0.00 C ATOM 1588 CG LYS A 97 -1.550 8.249 -11.804 1.00 0.00 C ATOM 1589 CD LYS A 97 -0.566 8.925 -12.744 1.00 0.00 C ATOM 1590 CE LYS A 97 0.143 10.087 -12.067 1.00 0.00 C ATOM 1591 NZ LYS A 97 0.347 11.231 -12.997 1.00 0.00 N ATOM 0 H LYS A 97 1.185 5.828 -9.116 1.00 0.00 H new ATOM 0 HA LYS A 97 0.225 8.292 -9.958 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -0.348 6.483 -11.939 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -1.769 6.309 -10.928 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -2.461 7.998 -12.348 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -1.833 8.942 -11.012 1.00 0.00 H new ATOM 0 HD2 LYS A 97 0.170 8.198 -13.086 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -1.093 9.284 -13.628 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -0.441 10.417 -11.208 1.00 0.00 H new ATOM 0 HE3 LYS A 97 1.108 9.752 -11.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 0.833 12.002 -12.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 0.925 10.923 -13.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -0.575 11.568 -13.340 1.00 0.00 H new ATOM 1605 N GLU A 98 -0.262 6.810 -7.562 1.00 0.00 N ATOM 1606 CA GLU A 98 -0.931 6.574 -6.298 1.00 0.00 C ATOM 1607 C GLU A 98 -1.728 7.800 -5.858 1.00 0.00 C ATOM 1608 O GLU A 98 -2.877 7.681 -5.433 1.00 0.00 O ATOM 1609 CB GLU A 98 0.104 6.202 -5.243 1.00 0.00 C ATOM 1610 CG GLU A 98 1.119 7.299 -4.950 1.00 0.00 C ATOM 1611 CD GLU A 98 1.885 7.778 -6.167 1.00 0.00 C ATOM 1612 OE1 GLU A 98 1.374 8.667 -6.881 1.00 0.00 O ATOM 1613 OE2 GLU A 98 3.000 7.267 -6.401 1.00 0.00 O ATOM 0 H GLU A 98 0.756 6.799 -7.506 1.00 0.00 H new ATOM 0 HA GLU A 98 -1.636 5.752 -6.421 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -0.413 5.944 -4.318 1.00 0.00 H new ATOM 0 HB3 GLU A 98 0.636 5.309 -5.571 1.00 0.00 H new ATOM 0 HG2 GLU A 98 0.601 8.148 -4.503 1.00 0.00 H new ATOM 0 HG3 GLU A 98 1.829 6.933 -4.209 1.00 0.00 H new ATOM 1620 N GLY A 99 -1.120 8.980 -5.970 1.00 0.00 N ATOM 1621 CA GLY A 99 -1.807 10.199 -5.584 1.00 0.00 C ATOM 1622 C GLY A 99 -0.910 11.200 -4.877 1.00 0.00 C ATOM 1623 O GLY A 99 -0.184 11.959 -5.520 1.00 0.00 O ATOM 0 H GLY A 99 -0.171 9.112 -6.319 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -2.230 10.666 -6.474 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -2.642 9.945 -4.930 1.00 0.00 H new ATOM 1627 N GLN A 100 -0.981 11.216 -3.550 1.00 0.00 N ATOM 1628 CA GLN A 100 -0.194 12.144 -2.742 1.00 0.00 C ATOM 1629 C GLN A 100 1.268 11.726 -2.643 1.00 0.00 C ATOM 1630 O GLN A 100 1.596 10.699 -2.051 1.00 0.00 O ATOM 1631 CB GLN A 100 -0.795 12.256 -1.340 1.00 0.00 C ATOM 1632 CG GLN A 100 -2.301 12.468 -1.341 1.00 0.00 C ATOM 1633 CD GLN A 100 -3.038 11.449 -0.492 1.00 0.00 C ATOM 1634 OE1 GLN A 100 -3.940 11.795 0.270 1.00 0.00 O ATOM 1635 NE2 GLN A 100 -2.656 10.184 -0.621 1.00 0.00 N ATOM 0 H GLN A 100 -1.579 10.593 -3.007 1.00 0.00 H new ATOM 0 HA GLN A 100 -0.226 13.114 -3.239 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -0.564 11.349 -0.781 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -0.320 13.084 -0.815 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -2.523 13.470 -0.973 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -2.670 12.416 -2.365 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -1.903 9.942 -1.265 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -3.115 9.454 -0.076 1.00 0.00 H new ATOM 1644 N PRO A 101 2.170 12.542 -3.215 1.00 0.00 N ATOM 1645 CA PRO A 101 3.613 12.287 -3.188 1.00 0.00 C ATOM 1646 C PRO A 101 4.105 11.836 -1.814 1.00 0.00 C ATOM 1647 O PRO A 101 3.580 12.264 -0.786 1.00 0.00 O ATOM 1648 CB PRO A 101 4.187 13.656 -3.532 1.00 0.00 C ATOM 1649 CG PRO A 101 3.185 14.250 -4.452 1.00 0.00 C ATOM 1650 CD PRO A 101 1.851 13.799 -3.930 1.00 0.00 C ATOM 0 HA PRO A 101 3.908 11.485 -3.864 1.00 0.00 H new ATOM 0 HB2 PRO A 101 4.320 14.268 -2.640 1.00 0.00 H new ATOM 0 HB3 PRO A 101 5.164 13.570 -4.008 1.00 0.00 H new ATOM 0 HG2 PRO A 101 3.256 15.338 -4.462 1.00 0.00 H new ATOM 0 HG3 PRO A 101 3.342 13.911 -5.476 1.00 0.00 H new ATOM 0 HD2 PRO A 101 1.409 14.540 -3.263 1.00 0.00 H new ATOM 0 HD3 PRO A 101 1.139 13.632 -4.738 1.00 0.00 H new ATOM 1658 N GLY A 102 5.113 10.969 -1.802 1.00 0.00 N ATOM 1659 CA GLY A 102 5.653 10.475 -0.546 1.00 0.00 C ATOM 1660 C GLY A 102 7.143 10.731 -0.400 1.00 0.00 C ATOM 1661 O GLY A 102 7.785 11.254 -1.310 1.00 0.00 O ATOM 0 H GLY A 102 5.566 10.600 -2.638 1.00 0.00 H new ATOM 0 HA2 GLY A 102 5.126 10.949 0.282 1.00 0.00 H new ATOM 0 HA3 GLY A 102 5.465 9.404 -0.472 1.00 0.00 H new ATOM 1665 N GLU A 103 7.689 10.357 0.755 1.00 0.00 N ATOM 1666 CA GLU A 103 9.111 10.538 1.036 1.00 0.00 C ATOM 1667 C GLU A 103 9.672 9.314 1.754 1.00 0.00 C ATOM 1668 O GLU A 103 8.924 8.557 2.374 1.00 0.00 O ATOM 1669 CB GLU A 103 9.332 11.791 1.886 1.00 0.00 C ATOM 1670 CG GLU A 103 9.586 13.045 1.067 1.00 0.00 C ATOM 1671 CD GLU A 103 10.937 13.026 0.377 1.00 0.00 C ATOM 1672 OE1 GLU A 103 11.934 12.660 1.034 1.00 0.00 O ATOM 1673 OE2 GLU A 103 10.997 13.377 -0.819 1.00 0.00 O ATOM 0 H GLU A 103 7.164 9.924 1.515 1.00 0.00 H new ATOM 0 HA GLU A 103 9.636 10.660 0.088 1.00 0.00 H new ATOM 0 HB2 GLU A 103 8.458 11.950 2.517 1.00 0.00 H new ATOM 0 HB3 GLU A 103 10.179 11.624 2.551 1.00 0.00 H new ATOM 0 HG2 GLU A 103 8.801 13.151 0.318 1.00 0.00 H new ATOM 0 HG3 GLU A 103 9.526 13.918 1.717 1.00 0.00 H new ATOM 1680 N TRP A 104 10.986 9.115 1.671 1.00 0.00 N ATOM 1681 CA TRP A 104 11.611 7.966 2.327 1.00 0.00 C ATOM 1682 C TRP A 104 11.628 8.171 3.838 1.00 0.00 C ATOM 1683 O TRP A 104 12.410 8.966 4.360 1.00 0.00 O ATOM 1684 CB TRP A 104 13.047 7.741 1.807 1.00 0.00 C ATOM 1685 CG TRP A 104 13.293 8.316 0.444 1.00 0.00 C ATOM 1686 CD1 TRP A 104 12.426 8.322 -0.609 1.00 0.00 C ATOM 1687 CD2 TRP A 104 14.483 8.969 -0.012 1.00 0.00 C ATOM 1688 NE1 TRP A 104 13.003 8.937 -1.693 1.00 0.00 N ATOM 1689 CE2 TRP A 104 14.266 9.344 -1.351 1.00 0.00 C ATOM 1690 CE3 TRP A 104 15.712 9.274 0.582 1.00 0.00 C ATOM 1691 CZ2 TRP A 104 15.231 10.007 -2.104 1.00 0.00 C ATOM 1692 CZ3 TRP A 104 16.669 9.932 -0.167 1.00 0.00 C ATOM 1693 CH2 TRP A 104 16.423 10.294 -1.497 1.00 0.00 C ATOM 0 H TRP A 104 11.630 9.723 1.165 1.00 0.00 H new ATOM 0 HA TRP A 104 11.022 7.080 2.091 1.00 0.00 H new ATOM 0 HB2 TRP A 104 13.752 8.184 2.511 1.00 0.00 H new ATOM 0 HB3 TRP A 104 13.251 6.671 1.782 1.00 0.00 H new ATOM 0 HD1 TRP A 104 11.430 7.904 -0.593 1.00 0.00 H new ATOM 0 HE1 TRP A 104 12.563 9.069 -2.604 1.00 0.00 H new ATOM 0 HE3 TRP A 104 15.910 9.000 1.608 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 15.045 10.285 -3.131 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 17.622 10.171 0.281 1.00 0.00 H new ATOM 0 HH2 TRP A 104 17.190 10.810 -2.055 1.00 0.00 H new ATOM 1704 N MET A 105 10.757 7.446 4.534 1.00 0.00 N ATOM 1705 CA MET A 105 10.664 7.537 5.988 1.00 0.00 C ATOM 1706 C MET A 105 10.938 6.184 6.631 1.00 0.00 C ATOM 1707 O MET A 105 10.490 5.151 6.133 1.00 0.00 O ATOM 1708 CB MET A 105 9.284 8.055 6.420 1.00 0.00 C ATOM 1709 CG MET A 105 8.250 8.080 5.305 1.00 0.00 C ATOM 1710 SD MET A 105 6.610 8.550 5.890 1.00 0.00 S ATOM 1711 CE MET A 105 6.807 10.322 6.065 1.00 0.00 C ATOM 0 H MET A 105 10.103 6.786 4.113 1.00 0.00 H new ATOM 0 HA MET A 105 11.420 8.246 6.326 1.00 0.00 H new ATOM 0 HB2 MET A 105 8.912 7.430 7.232 1.00 0.00 H new ATOM 0 HB3 MET A 105 9.396 9.063 6.819 1.00 0.00 H new ATOM 0 HG2 MET A 105 8.571 8.780 4.533 1.00 0.00 H new ATOM 0 HG3 MET A 105 8.198 7.095 4.841 1.00 0.00 H new ATOM 0 HE1 MET A 105 5.859 10.765 6.369 1.00 0.00 H new ATOM 0 HE2 MET A 105 7.564 10.531 6.821 1.00 0.00 H new ATOM 0 HE3 MET A 105 7.118 10.749 5.112 1.00 0.00 H new ATOM 1721 N SER A 106 11.664 6.187 7.742 1.00 0.00 N ATOM 1722 CA SER A 106 11.976 4.947 8.441 1.00 0.00 C ATOM 1723 C SER A 106 10.695 4.232 8.854 1.00 0.00 C ATOM 1724 O SER A 106 9.930 4.735 9.677 1.00 0.00 O ATOM 1725 CB SER A 106 12.838 5.232 9.673 1.00 0.00 C ATOM 1726 OG SER A 106 12.166 6.092 10.578 1.00 0.00 O ATOM 0 H SER A 106 12.045 7.028 8.176 1.00 0.00 H new ATOM 0 HA SER A 106 12.534 4.301 7.763 1.00 0.00 H new ATOM 0 HB2 SER A 106 13.085 4.295 10.172 1.00 0.00 H new ATOM 0 HB3 SER A 106 13.779 5.687 9.365 1.00 0.00 H new ATOM 0 HG SER A 106 11.201 5.926 10.532 1.00 0.00 H new ATOM 1732 N LEU A 107 10.462 3.060 8.274 1.00 0.00 N ATOM 1733 CA LEU A 107 9.266 2.284 8.582 1.00 0.00 C ATOM 1734 C LEU A 107 9.226 1.888 10.055 1.00 0.00 C ATOM 1735 O LEU A 107 8.168 1.550 10.586 1.00 0.00 O ATOM 1736 CB LEU A 107 9.188 1.036 7.699 1.00 0.00 C ATOM 1737 CG LEU A 107 7.790 0.424 7.555 1.00 0.00 C ATOM 1738 CD1 LEU A 107 7.430 -0.384 8.792 1.00 0.00 C ATOM 1739 CD2 LEU A 107 6.749 1.508 7.304 1.00 0.00 C ATOM 0 H LEU A 107 11.083 2.627 7.590 1.00 0.00 H new ATOM 0 HA LEU A 107 8.402 2.915 8.376 1.00 0.00 H new ATOM 0 HB2 LEU A 107 9.560 1.289 6.706 1.00 0.00 H new ATOM 0 HB3 LEU A 107 9.858 0.279 8.107 1.00 0.00 H new ATOM 0 HG LEU A 107 7.799 -0.246 6.696 1.00 0.00 H new ATOM 0 HD11 LEU A 107 6.434 -0.810 8.671 1.00 0.00 H new ATOM 0 HD12 LEU A 107 8.155 -1.187 8.926 1.00 0.00 H new ATOM 0 HD13 LEU A 107 7.443 0.266 9.667 1.00 0.00 H new ATOM 0 HD21 LEU A 107 5.764 1.051 7.205 1.00 0.00 H new ATOM 0 HD22 LEU A 107 6.742 2.207 8.141 1.00 0.00 H new ATOM 0 HD23 LEU A 107 6.995 2.043 6.387 1.00 0.00 H new ATOM 1751 N VAL A 108 10.380 1.939 10.715 1.00 0.00 N ATOM 1752 CA VAL A 108 10.465 1.593 12.129 1.00 0.00 C ATOM 1753 C VAL A 108 9.569 2.497 12.978 1.00 0.00 C ATOM 1754 O VAL A 108 9.327 2.217 14.152 1.00 0.00 O ATOM 1755 CB VAL A 108 11.914 1.697 12.644 1.00 0.00 C ATOM 1756 CG1 VAL A 108 12.013 1.184 14.074 1.00 0.00 C ATOM 1757 CG2 VAL A 108 12.863 0.934 11.730 1.00 0.00 C ATOM 0 H VAL A 108 11.267 2.216 10.294 1.00 0.00 H new ATOM 0 HA VAL A 108 10.124 0.562 12.222 1.00 0.00 H new ATOM 0 HB VAL A 108 12.206 2.747 12.638 1.00 0.00 H new ATOM 0 HG11 VAL A 108 13.044 1.266 14.419 1.00 0.00 H new ATOM 0 HG12 VAL A 108 11.366 1.778 14.719 1.00 0.00 H new ATOM 0 HG13 VAL A 108 11.700 0.140 14.109 1.00 0.00 H new ATOM 0 HG21 VAL A 108 13.881 1.019 12.110 1.00 0.00 H new ATOM 0 HG22 VAL A 108 12.573 -0.116 11.700 1.00 0.00 H new ATOM 0 HG23 VAL A 108 12.815 1.352 10.725 1.00 0.00 H new ATOM 1767 N GLY A 109 9.078 3.581 12.380 1.00 0.00 N ATOM 1768 CA GLY A 109 8.218 4.501 13.095 1.00 0.00 C ATOM 1769 C GLY A 109 6.786 4.451 12.601 1.00 0.00 C ATOM 1770 O GLY A 109 6.112 5.477 12.523 1.00 0.00 O ATOM 0 H GLY A 109 9.263 3.836 11.410 1.00 0.00 H new ATOM 0 HA2 GLY A 109 8.242 4.265 14.159 1.00 0.00 H new ATOM 0 HA3 GLY A 109 8.603 5.515 12.985 1.00 0.00 H new ATOM 1774 N LEU A 110 6.324 3.251 12.268 1.00 0.00 N ATOM 1775 CA LEU A 110 4.961 3.065 11.781 1.00 0.00 C ATOM 1776 C LEU A 110 3.960 3.480 12.852 1.00 0.00 C ATOM 1777 O LEU A 110 3.999 2.980 13.976 1.00 0.00 O ATOM 1778 CB LEU A 110 4.731 1.597 11.399 1.00 0.00 C ATOM 1779 CG LEU A 110 3.581 1.336 10.418 1.00 0.00 C ATOM 1780 CD1 LEU A 110 2.380 2.216 10.733 1.00 0.00 C ATOM 1781 CD2 LEU A 110 4.042 1.557 8.988 1.00 0.00 C ATOM 0 H LEU A 110 6.872 2.393 12.326 1.00 0.00 H new ATOM 0 HA LEU A 110 4.819 3.689 10.899 1.00 0.00 H new ATOM 0 HB2 LEU A 110 5.651 1.206 10.964 1.00 0.00 H new ATOM 0 HB3 LEU A 110 4.543 1.029 12.310 1.00 0.00 H new ATOM 0 HG LEU A 110 3.274 0.296 10.529 1.00 0.00 H new ATOM 0 HD11 LEU A 110 1.581 2.009 10.021 1.00 0.00 H new ATOM 0 HD12 LEU A 110 2.030 2.006 11.744 1.00 0.00 H new ATOM 0 HD13 LEU A 110 2.668 3.265 10.660 1.00 0.00 H new ATOM 0 HD21 LEU A 110 3.214 1.367 8.305 1.00 0.00 H new ATOM 0 HD22 LEU A 110 4.381 2.586 8.870 1.00 0.00 H new ATOM 0 HD23 LEU A 110 4.862 0.876 8.761 1.00 0.00 H new ATOM 1793 N ASN A 111 3.073 4.412 12.508 1.00 0.00 N ATOM 1794 CA ASN A 111 2.085 4.895 13.461 1.00 0.00 C ATOM 1795 C ASN A 111 0.660 4.720 12.958 1.00 0.00 C ATOM 1796 O ASN A 111 0.315 5.146 11.856 1.00 0.00 O ATOM 1797 CB ASN A 111 2.347 6.366 13.786 1.00 0.00 C ATOM 1798 CG ASN A 111 2.705 6.583 15.243 1.00 0.00 C ATOM 1799 OD1 ASN A 111 2.034 6.077 16.142 1.00 0.00 O ATOM 1800 ND2 ASN A 111 3.769 7.342 15.484 1.00 0.00 N ATOM 0 H ASN A 111 3.021 4.842 11.585 1.00 0.00 H new ATOM 0 HA ASN A 111 2.186 4.293 14.364 1.00 0.00 H new ATOM 0 HB2 ASN A 111 3.157 6.735 13.157 1.00 0.00 H new ATOM 0 HB3 ASN A 111 1.461 6.952 13.541 1.00 0.00 H new ATOM 0 HD21 ASN A 111 4.058 7.525 16.445 1.00 0.00 H new ATOM 0 HD22 ASN A 111 4.297 7.742 14.708 1.00 0.00 H new ATOM 1807 N ALA A 112 -0.167 4.109 13.800 1.00 0.00 N ATOM 1808 CA ALA A 112 -1.568 3.890 13.477 1.00 0.00 C ATOM 1809 C ALA A 112 -2.342 5.211 13.534 1.00 0.00 C ATOM 1810 O ALA A 112 -3.471 5.303 13.053 1.00 0.00 O ATOM 1811 CB ALA A 112 -2.185 2.867 14.422 1.00 0.00 C ATOM 0 H ALA A 112 0.113 3.756 14.715 1.00 0.00 H new ATOM 0 HA ALA A 112 -1.629 3.496 12.462 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -3.233 2.718 14.163 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -1.651 1.921 14.333 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -2.113 3.229 15.448 1.00 0.00 H new ATOM 1817 N ASP A 113 -1.732 6.228 14.143 1.00 0.00 N ATOM 1818 CA ASP A 113 -2.365 7.536 14.273 1.00 0.00 C ATOM 1819 C ASP A 113 -2.283 8.337 12.972 1.00 0.00 C ATOM 1820 O ASP A 113 -3.286 8.874 12.505 1.00 0.00 O ATOM 1821 CB ASP A 113 -1.714 8.327 15.410 1.00 0.00 C ATOM 1822 CG ASP A 113 -2.650 9.363 16.004 1.00 0.00 C ATOM 1823 OD1 ASP A 113 -2.677 10.501 15.489 1.00 0.00 O ATOM 1824 OD2 ASP A 113 -3.355 9.035 16.981 1.00 0.00 O ATOM 0 H ASP A 113 -0.800 6.169 14.553 1.00 0.00 H new ATOM 0 HA ASP A 113 -3.418 7.370 14.500 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -1.396 7.638 16.192 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -0.817 8.823 15.037 1.00 0.00 H new ATOM 1829 N ASP A 114 -1.085 8.420 12.392 1.00 0.00 N ATOM 1830 CA ASP A 114 -0.890 9.168 11.148 1.00 0.00 C ATOM 1831 C ASP A 114 -1.610 8.491 9.989 1.00 0.00 C ATOM 1832 O ASP A 114 -2.061 9.152 9.054 1.00 0.00 O ATOM 1833 CB ASP A 114 0.601 9.332 10.806 1.00 0.00 C ATOM 1834 CG ASP A 114 1.535 8.618 11.767 1.00 0.00 C ATOM 1835 OD1 ASP A 114 1.651 9.067 12.926 1.00 0.00 O ATOM 1836 OD2 ASP A 114 2.149 7.610 11.357 1.00 0.00 O ATOM 0 H ASP A 114 -0.240 7.982 12.760 1.00 0.00 H new ATOM 0 HA ASP A 114 -1.315 10.160 11.304 1.00 0.00 H new ATOM 0 HB2 ASP A 114 0.776 8.956 9.798 1.00 0.00 H new ATOM 0 HB3 ASP A 114 0.847 10.394 10.797 1.00 0.00 H new ATOM 1841 N PHE A 115 -1.713 7.171 10.056 1.00 0.00 N ATOM 1842 CA PHE A 115 -2.381 6.404 9.015 1.00 0.00 C ATOM 1843 C PHE A 115 -3.870 6.249 9.348 1.00 0.00 C ATOM 1844 O PHE A 115 -4.302 6.608 10.444 1.00 0.00 O ATOM 1845 CB PHE A 115 -1.694 5.032 8.866 1.00 0.00 C ATOM 1846 CG PHE A 115 -2.477 3.883 9.428 1.00 0.00 C ATOM 1847 CD1 PHE A 115 -3.000 3.962 10.699 1.00 0.00 C ATOM 1848 CD2 PHE A 115 -2.685 2.730 8.691 1.00 0.00 C ATOM 1849 CE1 PHE A 115 -3.720 2.919 11.238 1.00 0.00 C ATOM 1850 CE2 PHE A 115 -3.404 1.680 9.221 1.00 0.00 C ATOM 1851 CZ PHE A 115 -3.922 1.776 10.498 1.00 0.00 C ATOM 0 H PHE A 115 -1.342 6.609 10.822 1.00 0.00 H new ATOM 0 HA PHE A 115 -2.306 6.932 8.064 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -1.507 4.846 7.808 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -0.723 5.070 9.359 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -2.843 4.857 11.283 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -2.281 2.652 7.693 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -4.124 2.997 12.236 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -3.562 0.784 8.639 1.00 0.00 H new ATOM 0 HZ PHE A 115 -4.485 0.955 10.916 1.00 0.00 H new ATOM 1861 N PRO A 116 -4.674 5.704 8.419 1.00 0.00 N ATOM 1862 CA PRO A 116 -6.108 5.503 8.650 1.00 0.00 C ATOM 1863 C PRO A 116 -6.366 4.378 9.653 1.00 0.00 C ATOM 1864 O PRO A 116 -5.854 3.272 9.495 1.00 0.00 O ATOM 1865 CB PRO A 116 -6.640 5.122 7.267 1.00 0.00 C ATOM 1866 CG PRO A 116 -5.472 4.523 6.563 1.00 0.00 C ATOM 1867 CD PRO A 116 -4.253 5.235 7.087 1.00 0.00 C ATOM 0 HA PRO A 116 -6.589 6.386 9.072 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -7.464 4.412 7.342 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -7.018 5.994 6.734 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -5.409 3.452 6.755 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -5.562 4.649 5.484 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -3.394 4.567 7.150 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -3.965 6.065 6.442 1.00 0.00 H new ATOM 1875 N PRO A 117 -7.162 4.642 10.707 1.00 0.00 N ATOM 1876 CA PRO A 117 -7.470 3.640 11.739 1.00 0.00 C ATOM 1877 C PRO A 117 -8.247 2.441 11.199 1.00 0.00 C ATOM 1878 O PRO A 117 -8.346 1.408 11.862 1.00 0.00 O ATOM 1879 CB PRO A 117 -8.322 4.413 12.752 1.00 0.00 C ATOM 1880 CG PRO A 117 -8.866 5.573 11.994 1.00 0.00 C ATOM 1881 CD PRO A 117 -7.815 5.933 10.983 1.00 0.00 C ATOM 0 HA PRO A 117 -6.559 3.213 12.159 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -9.124 3.791 13.150 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -7.723 4.742 13.601 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -9.806 5.315 11.506 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -9.072 6.412 12.659 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -8.253 6.364 10.083 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -7.110 6.665 11.377 1.00 0.00 H new ATOM 1889 N ALA A 118 -8.801 2.582 10.002 1.00 0.00 N ATOM 1890 CA ALA A 118 -9.574 1.509 9.385 1.00 0.00 C ATOM 1891 C ALA A 118 -8.683 0.365 8.906 1.00 0.00 C ATOM 1892 O ALA A 118 -9.179 -0.688 8.504 1.00 0.00 O ATOM 1893 CB ALA A 118 -10.401 2.052 8.231 1.00 0.00 C ATOM 0 H ALA A 118 -8.730 3.429 9.438 1.00 0.00 H new ATOM 0 HA ALA A 118 -10.241 1.106 10.147 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -10.973 1.241 7.780 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -11.085 2.816 8.601 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -9.739 2.489 7.483 1.00 0.00 H new ATOM 1899 N ASN A 119 -7.373 0.579 8.928 1.00 0.00 N ATOM 1900 CA ASN A 119 -6.427 -0.432 8.473 1.00 0.00 C ATOM 1901 C ASN A 119 -5.439 -0.810 9.577 1.00 0.00 C ATOM 1902 O ASN A 119 -4.275 -1.104 9.306 1.00 0.00 O ATOM 1903 CB ASN A 119 -5.683 0.105 7.251 1.00 0.00 C ATOM 1904 CG ASN A 119 -6.212 -0.467 5.950 1.00 0.00 C ATOM 1905 OD1 ASN A 119 -5.448 -0.771 5.035 1.00 0.00 O ATOM 1906 ND2 ASN A 119 -7.529 -0.610 5.859 1.00 0.00 N ATOM 0 H ASN A 119 -6.942 1.443 9.256 1.00 0.00 H new ATOM 0 HA ASN A 119 -6.975 -1.336 8.207 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -5.767 1.191 7.227 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -4.623 -0.131 7.343 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -7.944 -0.985 5.006 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -8.126 -0.345 6.642 1.00 0.00 H new ATOM 1913 N GLU A 120 -5.906 -0.792 10.822 1.00 0.00 N ATOM 1914 CA GLU A 120 -5.057 -1.119 11.967 1.00 0.00 C ATOM 1915 C GLU A 120 -4.774 -2.620 12.084 1.00 0.00 C ATOM 1916 O GLU A 120 -3.690 -3.006 12.503 1.00 0.00 O ATOM 1917 CB GLU A 120 -5.686 -0.597 13.262 1.00 0.00 C ATOM 1918 CG GLU A 120 -4.896 0.529 13.907 1.00 0.00 C ATOM 1919 CD GLU A 120 -3.925 0.032 14.961 1.00 0.00 C ATOM 1920 OE1 GLU A 120 -2.963 -0.674 14.595 1.00 0.00 O ATOM 1921 OE2 GLU A 120 -4.129 0.348 16.152 1.00 0.00 O ATOM 0 H GLU A 120 -6.868 -0.555 11.065 1.00 0.00 H new ATOM 0 HA GLU A 120 -4.099 -0.626 11.802 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -6.696 -0.247 13.051 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -5.776 -1.420 13.971 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -4.345 1.069 13.137 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -5.587 1.239 14.361 1.00 0.00 H new ATOM 1928 N PRO A 121 -5.730 -3.495 11.733 1.00 0.00 N ATOM 1929 CA PRO A 121 -5.527 -4.945 11.831 1.00 0.00 C ATOM 1930 C PRO A 121 -4.221 -5.412 11.186 1.00 0.00 C ATOM 1931 O PRO A 121 -3.486 -6.213 11.764 1.00 0.00 O ATOM 1932 CB PRO A 121 -6.730 -5.520 11.084 1.00 0.00 C ATOM 1933 CG PRO A 121 -7.789 -4.481 11.224 1.00 0.00 C ATOM 1934 CD PRO A 121 -7.075 -3.157 11.232 1.00 0.00 C ATOM 0 HA PRO A 121 -5.451 -5.271 12.868 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -6.494 -5.707 10.036 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -7.047 -6.470 11.514 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -8.500 -4.535 10.400 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -8.356 -4.624 12.144 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -7.033 -2.717 10.236 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -7.575 -2.435 11.878 1.00 0.00 H new ATOM 1942 N VAL A 122 -3.940 -4.914 9.986 1.00 0.00 N ATOM 1943 CA VAL A 122 -2.725 -5.287 9.265 1.00 0.00 C ATOM 1944 C VAL A 122 -1.507 -4.560 9.815 1.00 0.00 C ATOM 1945 O VAL A 122 -0.485 -5.176 10.120 1.00 0.00 O ATOM 1946 CB VAL A 122 -2.830 -4.978 7.755 1.00 0.00 C ATOM 1947 CG1 VAL A 122 -1.939 -5.917 6.958 1.00 0.00 C ATOM 1948 CG2 VAL A 122 -4.271 -5.064 7.272 1.00 0.00 C ATOM 0 H VAL A 122 -4.536 -4.251 9.491 1.00 0.00 H new ATOM 0 HA VAL A 122 -2.611 -6.362 9.406 1.00 0.00 H new ATOM 0 HB VAL A 122 -2.488 -3.955 7.596 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -2.025 -5.686 5.896 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -0.903 -5.792 7.274 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -2.249 -6.947 7.131 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -4.311 -4.841 6.206 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -4.654 -6.069 7.448 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -4.881 -4.343 7.816 1.00 0.00 H new ATOM 1958 N ILE A 123 -1.620 -3.243 9.923 1.00 0.00 N ATOM 1959 CA ILE A 123 -0.528 -2.417 10.416 1.00 0.00 C ATOM 1960 C ILE A 123 -0.204 -2.725 11.874 1.00 0.00 C ATOM 1961 O ILE A 123 0.949 -2.659 12.284 1.00 0.00 O ATOM 1962 CB ILE A 123 -0.856 -0.918 10.261 1.00 0.00 C ATOM 1963 CG1 ILE A 123 -0.874 -0.538 8.773 1.00 0.00 C ATOM 1964 CG2 ILE A 123 0.143 -0.062 11.032 1.00 0.00 C ATOM 1965 CD1 ILE A 123 0.274 0.353 8.349 1.00 0.00 C ATOM 0 H ILE A 123 -2.461 -2.723 9.674 1.00 0.00 H new ATOM 0 HA ILE A 123 0.348 -2.653 9.813 1.00 0.00 H new ATOM 0 HB ILE A 123 -1.845 -0.730 10.680 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -0.852 -1.450 8.176 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -1.814 -0.033 8.549 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -0.108 0.991 10.908 1.00 0.00 H new ATOM 0 HG22 ILE A 123 0.105 -0.322 12.090 1.00 0.00 H new ATOM 0 HG23 ILE A 123 1.148 -0.243 10.650 1.00 0.00 H new ATOM 0 HD11 ILE A 123 0.188 0.575 7.285 1.00 0.00 H new ATOM 0 HD12 ILE A 123 0.242 1.282 8.918 1.00 0.00 H new ATOM 0 HD13 ILE A 123 1.219 -0.156 8.538 1.00 0.00 H new ATOM 1977 N ALA A 124 -1.220 -3.062 12.653 1.00 0.00 N ATOM 1978 CA ALA A 124 -1.024 -3.376 14.062 1.00 0.00 C ATOM 1979 C ALA A 124 0.014 -4.477 14.231 1.00 0.00 C ATOM 1980 O ALA A 124 0.733 -4.519 15.229 1.00 0.00 O ATOM 1981 CB ALA A 124 -2.341 -3.786 14.705 1.00 0.00 C ATOM 0 H ALA A 124 -2.187 -3.125 12.335 1.00 0.00 H new ATOM 0 HA ALA A 124 -0.657 -2.480 14.562 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -2.176 -4.017 15.757 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -3.057 -2.968 14.621 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -2.735 -4.667 14.198 1.00 0.00 H new ATOM 1987 N LYS A 125 0.082 -5.369 13.250 1.00 0.00 N ATOM 1988 CA LYS A 125 1.033 -6.477 13.296 1.00 0.00 C ATOM 1989 C LYS A 125 2.473 -5.990 13.119 1.00 0.00 C ATOM 1990 O LYS A 125 3.343 -6.294 13.936 1.00 0.00 O ATOM 1991 CB LYS A 125 0.696 -7.507 12.217 1.00 0.00 C ATOM 1992 CG LYS A 125 1.334 -8.868 12.454 1.00 0.00 C ATOM 1993 CD LYS A 125 0.297 -9.913 12.837 1.00 0.00 C ATOM 1994 CE LYS A 125 0.563 -11.241 12.146 1.00 0.00 C ATOM 1995 NZ LYS A 125 1.642 -12.014 12.821 1.00 0.00 N ATOM 0 H LYS A 125 -0.506 -5.349 12.417 1.00 0.00 H new ATOM 0 HA LYS A 125 0.953 -6.942 14.279 1.00 0.00 H new ATOM 0 HB2 LYS A 125 -0.386 -7.626 12.166 1.00 0.00 H new ATOM 0 HB3 LYS A 125 1.021 -7.126 11.249 1.00 0.00 H new ATOM 0 HG2 LYS A 125 1.857 -9.187 11.553 1.00 0.00 H new ATOM 0 HG3 LYS A 125 2.080 -8.788 13.245 1.00 0.00 H new ATOM 0 HD2 LYS A 125 0.305 -10.056 13.918 1.00 0.00 H new ATOM 0 HD3 LYS A 125 -0.697 -9.555 12.570 1.00 0.00 H new ATOM 0 HE2 LYS A 125 -0.353 -11.832 12.132 1.00 0.00 H new ATOM 0 HE3 LYS A 125 0.841 -11.060 11.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 1.792 -12.912 12.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 2.523 -11.461 12.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 1.366 -12.209 13.804 1.00 0.00 H new ATOM 2009 N LEU A 126 2.722 -5.244 12.045 1.00 0.00 N ATOM 2010 CA LEU A 126 4.060 -4.728 11.762 1.00 0.00 C ATOM 2011 C LEU A 126 4.377 -3.503 12.617 1.00 0.00 C ATOM 2012 O LEU A 126 5.534 -3.252 12.951 1.00 0.00 O ATOM 2013 CB LEU A 126 4.198 -4.400 10.267 1.00 0.00 C ATOM 2014 CG LEU A 126 4.157 -2.913 9.895 1.00 0.00 C ATOM 2015 CD1 LEU A 126 4.524 -2.720 8.432 1.00 0.00 C ATOM 2016 CD2 LEU A 126 2.783 -2.327 10.185 1.00 0.00 C ATOM 0 H LEU A 126 2.016 -4.983 11.357 1.00 0.00 H new ATOM 0 HA LEU A 126 4.783 -5.503 12.018 1.00 0.00 H new ATOM 0 HB2 LEU A 126 5.140 -4.817 9.910 1.00 0.00 H new ATOM 0 HB3 LEU A 126 3.399 -4.910 9.729 1.00 0.00 H new ATOM 0 HG LEU A 126 4.890 -2.385 10.505 1.00 0.00 H new ATOM 0 HD11 LEU A 126 4.490 -1.659 8.185 1.00 0.00 H new ATOM 0 HD12 LEU A 126 5.530 -3.101 8.256 1.00 0.00 H new ATOM 0 HD13 LEU A 126 3.816 -3.261 7.805 1.00 0.00 H new ATOM 0 HD21 LEU A 126 2.773 -1.271 9.915 1.00 0.00 H new ATOM 0 HD22 LEU A 126 2.031 -2.858 9.602 1.00 0.00 H new ATOM 0 HD23 LEU A 126 2.559 -2.432 11.247 1.00 0.00 H new ATOM 2028 N LYS A 127 3.344 -2.743 12.965 1.00 0.00 N ATOM 2029 CA LYS A 127 3.511 -1.542 13.777 1.00 0.00 C ATOM 2030 C LYS A 127 4.242 -1.863 15.067 1.00 0.00 C ATOM 2031 O LYS A 127 5.140 -1.134 15.485 1.00 0.00 O ATOM 2032 CB LYS A 127 2.154 -0.938 14.097 1.00 0.00 C ATOM 2033 CG LYS A 127 2.235 0.389 14.834 1.00 0.00 C ATOM 2034 CD LYS A 127 0.854 0.966 15.093 1.00 0.00 C ATOM 2035 CE LYS A 127 0.268 0.446 16.396 1.00 0.00 C ATOM 2036 NZ LYS A 127 -0.672 -0.687 16.170 1.00 0.00 N ATOM 0 H LYS A 127 2.379 -2.938 12.697 1.00 0.00 H new ATOM 0 HA LYS A 127 4.103 -0.825 13.209 1.00 0.00 H new ATOM 0 HB2 LYS A 127 1.602 -0.795 13.168 1.00 0.00 H new ATOM 0 HB3 LYS A 127 1.585 -1.645 14.701 1.00 0.00 H new ATOM 0 HG2 LYS A 127 2.756 0.249 15.781 1.00 0.00 H new ATOM 0 HG3 LYS A 127 2.822 1.096 14.249 1.00 0.00 H new ATOM 0 HD2 LYS A 127 0.914 2.054 15.128 1.00 0.00 H new ATOM 0 HD3 LYS A 127 0.191 0.710 14.267 1.00 0.00 H new ATOM 0 HE2 LYS A 127 1.075 0.122 17.053 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -0.254 1.255 16.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -1.349 -0.739 16.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -1.188 -0.538 15.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -0.136 -1.577 16.115 1.00 0.00 H new ATOM 2050 N ARG A 128 3.867 -2.978 15.680 1.00 0.00 N ATOM 2051 CA ARG A 128 4.507 -3.416 16.908 1.00 0.00 C ATOM 2052 C ARG A 128 5.959 -3.786 16.625 1.00 0.00 C ATOM 2053 O ARG A 128 6.751 -3.994 17.544 1.00 0.00 O ATOM 2054 CB ARG A 128 3.757 -4.614 17.498 1.00 0.00 C ATOM 2055 CG ARG A 128 4.435 -5.222 18.716 1.00 0.00 C ATOM 2056 CD ARG A 128 3.658 -6.414 19.250 1.00 0.00 C ATOM 2057 NE ARG A 128 4.508 -7.325 20.011 1.00 0.00 N ATOM 2058 CZ ARG A 128 4.189 -8.591 20.276 1.00 0.00 C ATOM 2059 NH1 ARG A 128 3.040 -9.097 19.845 1.00 0.00 N ATOM 2060 NH2 ARG A 128 5.022 -9.351 20.974 1.00 0.00 N ATOM 0 H ARG A 128 3.125 -3.593 15.346 1.00 0.00 H new ATOM 0 HA ARG A 128 4.482 -2.603 17.634 1.00 0.00 H new ATOM 0 HB2 ARG A 128 2.750 -4.301 17.773 1.00 0.00 H new ATOM 0 HB3 ARG A 128 3.654 -5.381 16.730 1.00 0.00 H new ATOM 0 HG2 ARG A 128 5.446 -5.534 18.453 1.00 0.00 H new ATOM 0 HG3 ARG A 128 4.527 -4.467 19.497 1.00 0.00 H new ATOM 0 HD2 ARG A 128 2.845 -6.062 19.885 1.00 0.00 H new ATOM 0 HD3 ARG A 128 3.203 -6.952 18.418 1.00 0.00 H new ATOM 0 HE ARG A 128 5.399 -6.971 20.360 1.00 0.00 H new ATOM 0 HH11 ARG A 128 2.396 -8.516 19.308 1.00 0.00 H new ATOM 0 HH12 ARG A 128 2.801 -10.067 20.051 1.00 0.00 H new ATOM 0 HH21 ARG A 128 5.906 -8.966 21.307 1.00 0.00 H new ATOM 0 HH22 ARG A 128 4.779 -10.320 21.178 1.00 0.00 H new ATOM 2074 N LEU A 129 6.303 -3.858 15.337 1.00 0.00 N ATOM 2075 CA LEU A 129 7.659 -4.192 14.919 1.00 0.00 C ATOM 2076 C LEU A 129 8.166 -5.441 15.635 1.00 0.00 C ATOM 2077 O LEU A 129 8.564 -6.416 14.998 1.00 0.00 O ATOM 2078 CB LEU A 129 8.595 -3.016 15.189 1.00 0.00 C ATOM 2079 CG LEU A 129 7.989 -1.630 14.942 1.00 0.00 C ATOM 2080 CD1 LEU A 129 7.747 -0.909 16.259 1.00 0.00 C ATOM 2081 CD2 LEU A 129 8.892 -0.801 14.039 1.00 0.00 C ATOM 0 H LEU A 129 5.656 -3.688 14.567 1.00 0.00 H new ATOM 0 HA LEU A 129 7.642 -4.400 13.849 1.00 0.00 H new ATOM 0 HB2 LEU A 129 8.930 -3.069 16.225 1.00 0.00 H new ATOM 0 HB3 LEU A 129 9.480 -3.125 14.562 1.00 0.00 H new ATOM 0 HG LEU A 129 7.030 -1.762 14.440 1.00 0.00 H new ATOM 0 HD11 LEU A 129 7.317 0.073 16.062 1.00 0.00 H new ATOM 0 HD12 LEU A 129 7.058 -1.491 16.871 1.00 0.00 H new ATOM 0 HD13 LEU A 129 8.692 -0.791 16.788 1.00 0.00 H new ATOM 0 HD21 LEU A 129 8.443 0.179 13.876 1.00 0.00 H new ATOM 0 HD22 LEU A 129 9.867 -0.680 14.512 1.00 0.00 H new ATOM 0 HD23 LEU A 129 9.013 -1.308 13.082 1.00 0.00 H new