USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 574 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 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 167:sc= 1.33 (180deg=0.973) USER MOD Single : A 3 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0692) USER MOD Single : A 4 LYS NZ :NH3+ -169:sc= -0.0039 (180deg=-0.119) USER MOD Single : A 11 CYS SG : rot 54:sc= -0.244 USER MOD Single : A 14 THR OG1 : rot -30:sc= 0.669 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot -152:sc= 1.21 USER MOD Single : A 21 HIS : no HD1:sc=-0.00578 X(o=-0.0058,f=0) USER MOD Single : A 22 GLN : amide:sc= -0.252 X(o=-0.25,f=-0.013) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= -0.0769 K(o=-0.077,f=-0.87) USER MOD Single : A 29 SER OG : rot 10:sc= 0.88 USER MOD Single : A 31 GLN : amide:sc= -1.56! C(o=-1.6!,f=-3!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl -169:sc= 0 (180deg=-0.201) USER MOD Single : A 48 ASN : amide:sc= -0.568! X(o=-0.57!,f=-0.2) USER MOD Single : A 54 SER OG : rot -67:sc= 0.985 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 HIS : no HD1:sc=-0.00304 X(o=-0.003,f=-0.056) USER MOD Single : A 64 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 65 HIS : no HD1:sc= 1.09 K(o=1.1,f=-5.8!) USER MOD Single : A 66 HIS : no HD1:sc= -1.04 K(o=-1,f=-0.05) USER MOD Single : A 67 HIS : no HE2:sc= 0.437 K(o=0.44,f=-5.6!) USER MOD Single : A 68 HIS : no HE2:sc= -0.189 K(o=-0.19,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.860 12.568 -14.886 1.00 0.00 N ATOM 2 CA MET A 1 8.434 12.873 -14.642 1.00 0.00 C ATOM 3 C MET A 1 7.871 11.972 -13.553 1.00 0.00 C ATOM 4 O MET A 1 7.864 10.747 -13.688 1.00 0.00 O ATOM 5 CB MET A 1 7.616 12.703 -15.927 1.00 0.00 C ATOM 6 CG MET A 1 7.813 13.821 -16.944 1.00 0.00 C ATOM 7 SD MET A 1 9.510 13.960 -17.540 1.00 0.00 S ATOM 8 CE MET A 1 9.349 15.327 -18.687 1.00 0.00 C ATOM 0 H1 MET A 1 10.167 13.027 -15.767 1.00 0.00 H new ATOM 0 H2 MET A 1 10.432 12.923 -14.093 1.00 0.00 H new ATOM 0 H3 MET A 1 9.986 11.539 -14.970 1.00 0.00 H new ATOM 0 HA MET A 1 8.365 13.910 -14.314 1.00 0.00 H new ATOM 0 HB2 MET A 1 7.882 11.753 -16.391 1.00 0.00 H new ATOM 0 HB3 MET A 1 6.559 12.645 -15.667 1.00 0.00 H new ATOM 0 HG2 MET A 1 7.151 13.650 -17.793 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.516 14.768 -16.493 1.00 0.00 H new ATOM 0 HE1 MET A 1 10.317 15.537 -19.141 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.632 15.066 -19.466 1.00 0.00 H new ATOM 0 HE3 MET A 1 8.999 16.211 -18.153 1.00 0.00 H new ATOM 20 N GLU A 2 7.422 12.579 -12.467 1.00 0.00 N ATOM 21 CA GLU A 2 6.755 11.845 -11.408 1.00 0.00 C ATOM 22 C GLU A 2 5.248 11.981 -11.586 1.00 0.00 C ATOM 23 O GLU A 2 4.665 13.028 -11.303 1.00 0.00 O ATOM 24 CB GLU A 2 7.200 12.353 -10.034 1.00 0.00 C ATOM 25 CG GLU A 2 8.703 12.242 -9.817 1.00 0.00 C ATOM 26 CD GLU A 2 9.146 12.745 -8.459 1.00 0.00 C ATOM 27 OE1 GLU A 2 9.020 13.962 -8.199 1.00 0.00 O ATOM 28 OE2 GLU A 2 9.625 11.930 -7.646 1.00 0.00 O ATOM 0 H GLU A 2 7.508 13.581 -12.297 1.00 0.00 H new ATOM 0 HA GLU A 2 7.026 10.791 -11.466 1.00 0.00 H new ATOM 0 HB2 GLU A 2 6.898 13.394 -9.923 1.00 0.00 H new ATOM 0 HB3 GLU A 2 6.684 11.787 -9.259 1.00 0.00 H new ATOM 0 HG2 GLU A 2 9.004 11.200 -9.928 1.00 0.00 H new ATOM 0 HG3 GLU A 2 9.219 12.807 -10.593 1.00 0.00 H new ATOM 35 N LYS A 3 4.628 10.925 -12.090 1.00 0.00 N ATOM 36 CA LYS A 3 3.225 10.970 -12.470 1.00 0.00 C ATOM 37 C LYS A 3 2.297 10.867 -11.266 1.00 0.00 C ATOM 38 O LYS A 3 1.758 9.808 -10.948 1.00 0.00 O ATOM 39 CB LYS A 3 2.894 9.904 -13.523 1.00 0.00 C ATOM 40 CG LYS A 3 3.286 8.465 -13.168 1.00 0.00 C ATOM 41 CD LYS A 3 4.791 8.225 -13.259 1.00 0.00 C ATOM 42 CE LYS A 3 5.147 6.757 -13.058 1.00 0.00 C ATOM 43 NZ LYS A 3 4.725 5.917 -14.210 1.00 0.00 N ATOM 0 H LYS A 3 5.077 10.023 -12.246 1.00 0.00 H new ATOM 0 HA LYS A 3 3.052 11.948 -12.920 1.00 0.00 H new ATOM 0 HB2 LYS A 3 1.821 9.931 -13.714 1.00 0.00 H new ATOM 0 HB3 LYS A 3 3.390 10.176 -14.455 1.00 0.00 H new ATOM 0 HG2 LYS A 3 2.947 8.239 -12.157 1.00 0.00 H new ATOM 0 HG3 LYS A 3 2.771 7.777 -13.838 1.00 0.00 H new ATOM 0 HD2 LYS A 3 5.153 8.556 -14.232 1.00 0.00 H new ATOM 0 HD3 LYS A 3 5.301 8.828 -12.508 1.00 0.00 H new ATOM 0 HE2 LYS A 3 6.223 6.662 -12.915 1.00 0.00 H new ATOM 0 HE3 LYS A 3 4.671 6.390 -12.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 5.118 4.960 -14.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 3.687 5.864 -14.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 5.075 6.339 -15.094 1.00 0.00 H new ATOM 57 N LYS A 4 2.102 12.001 -10.621 1.00 0.00 N ATOM 58 CA LYS A 4 1.222 12.102 -9.458 1.00 0.00 C ATOM 59 C LYS A 4 -0.246 12.198 -9.876 1.00 0.00 C ATOM 60 O LYS A 4 -1.125 12.466 -9.055 1.00 0.00 O ATOM 61 CB LYS A 4 1.620 13.295 -8.571 1.00 0.00 C ATOM 62 CG LYS A 4 2.174 14.506 -9.321 1.00 0.00 C ATOM 63 CD LYS A 4 1.149 15.135 -10.255 1.00 0.00 C ATOM 64 CE LYS A 4 1.731 16.320 -11.010 1.00 0.00 C ATOM 65 NZ LYS A 4 2.084 17.439 -10.100 1.00 0.00 N ATOM 0 H LYS A 4 2.546 12.881 -10.883 1.00 0.00 H new ATOM 0 HA LYS A 4 1.340 11.190 -8.874 1.00 0.00 H new ATOM 0 HB2 LYS A 4 0.747 13.610 -7.999 1.00 0.00 H new ATOM 0 HB3 LYS A 4 2.368 12.960 -7.852 1.00 0.00 H new ATOM 0 HG2 LYS A 4 2.510 15.252 -8.601 1.00 0.00 H new ATOM 0 HG3 LYS A 4 3.048 14.203 -9.898 1.00 0.00 H new ATOM 0 HD2 LYS A 4 0.797 14.387 -10.966 1.00 0.00 H new ATOM 0 HD3 LYS A 4 0.283 15.460 -9.679 1.00 0.00 H new ATOM 0 HE2 LYS A 4 2.620 16.002 -11.555 1.00 0.00 H new ATOM 0 HE3 LYS A 4 1.010 16.668 -11.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 2.300 18.288 -10.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 1.283 17.637 -9.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 2.917 17.177 -9.535 1.00 0.00 H new ATOM 79 N PHE A 5 -0.501 11.986 -11.159 1.00 0.00 N ATOM 80 CA PHE A 5 -1.862 11.925 -11.670 1.00 0.00 C ATOM 81 C PHE A 5 -2.250 10.473 -11.938 1.00 0.00 C ATOM 82 O PHE A 5 -3.427 10.114 -11.911 1.00 0.00 O ATOM 83 CB PHE A 5 -1.991 12.759 -12.948 1.00 0.00 C ATOM 84 CG PHE A 5 -3.392 12.823 -13.492 1.00 0.00 C ATOM 85 CD1 PHE A 5 -4.350 13.623 -12.886 1.00 0.00 C ATOM 86 CD2 PHE A 5 -3.754 12.081 -14.605 1.00 0.00 C ATOM 87 CE1 PHE A 5 -5.639 13.681 -13.382 1.00 0.00 C ATOM 88 CE2 PHE A 5 -5.040 12.133 -15.103 1.00 0.00 C ATOM 89 CZ PHE A 5 -5.985 12.936 -14.492 1.00 0.00 C ATOM 0 H PHE A 5 0.220 11.853 -11.868 1.00 0.00 H new ATOM 0 HA PHE A 5 -2.539 12.339 -10.923 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -1.643 13.772 -12.746 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -1.334 12.342 -13.711 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -4.086 14.207 -12.017 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -3.020 11.454 -15.089 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -6.375 14.309 -12.902 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -5.308 11.547 -15.970 1.00 0.00 H new ATOM 0 HZ PHE A 5 -6.991 12.981 -14.882 1.00 0.00 H new ATOM 99 N LEU A 6 -1.244 9.640 -12.184 1.00 0.00 N ATOM 100 CA LEU A 6 -1.472 8.229 -12.450 1.00 0.00 C ATOM 101 C LEU A 6 -1.174 7.399 -11.210 1.00 0.00 C ATOM 102 O LEU A 6 -1.772 6.346 -10.991 1.00 0.00 O ATOM 103 CB LEU A 6 -0.612 7.772 -13.629 1.00 0.00 C ATOM 104 CG LEU A 6 -0.935 8.453 -14.956 1.00 0.00 C ATOM 105 CD1 LEU A 6 -0.007 7.962 -16.056 1.00 0.00 C ATOM 106 CD2 LEU A 6 -2.389 8.214 -15.340 1.00 0.00 C ATOM 0 H LEU A 6 -0.263 9.920 -12.204 1.00 0.00 H new ATOM 0 HA LEU A 6 -2.521 8.084 -12.710 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.436 7.953 -13.389 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.729 6.695 -13.751 1.00 0.00 H new ATOM 0 HG LEU A 6 -0.781 9.525 -14.833 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -0.256 8.461 -16.992 1.00 0.00 H new ATOM 0 HD12 LEU A 6 1.025 8.187 -15.788 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -0.124 6.885 -16.177 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.601 8.707 -16.289 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -2.568 7.143 -15.440 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -3.041 8.620 -14.567 1.00 0.00 H new ATOM 118 N ASP A 7 -0.260 7.893 -10.389 1.00 0.00 N ATOM 119 CA ASP A 7 0.058 7.256 -9.115 1.00 0.00 C ATOM 120 C ASP A 7 -0.871 7.805 -8.037 1.00 0.00 C ATOM 121 O ASP A 7 -0.444 8.289 -6.988 1.00 0.00 O ATOM 122 CB ASP A 7 1.531 7.480 -8.738 1.00 0.00 C ATOM 123 CG ASP A 7 1.957 6.713 -7.490 1.00 0.00 C ATOM 124 OD1 ASP A 7 1.169 5.887 -6.983 1.00 0.00 O ATOM 125 OD2 ASP A 7 3.089 6.943 -7.003 1.00 0.00 O ATOM 0 H ASP A 7 0.279 8.738 -10.582 1.00 0.00 H new ATOM 0 HA ASP A 7 -0.092 6.180 -9.205 1.00 0.00 H new ATOM 0 HB2 ASP A 7 2.163 7.180 -9.574 1.00 0.00 H new ATOM 0 HB3 ASP A 7 1.700 8.545 -8.577 1.00 0.00 H new ATOM 130 N ILE A 8 -2.156 7.757 -8.330 1.00 0.00 N ATOM 131 CA ILE A 8 -3.173 8.147 -7.370 1.00 0.00 C ATOM 132 C ILE A 8 -3.804 6.900 -6.767 1.00 0.00 C ATOM 133 O ILE A 8 -4.976 6.897 -6.384 1.00 0.00 O ATOM 134 CB ILE A 8 -4.266 9.032 -8.010 1.00 0.00 C ATOM 135 CG1 ILE A 8 -4.897 8.336 -9.220 1.00 0.00 C ATOM 136 CG2 ILE A 8 -3.681 10.380 -8.411 1.00 0.00 C ATOM 137 CD1 ILE A 8 -6.077 9.088 -9.796 1.00 0.00 C ATOM 0 H ILE A 8 -2.523 7.450 -9.231 1.00 0.00 H new ATOM 0 HA ILE A 8 -2.690 8.737 -6.591 1.00 0.00 H new ATOM 0 HB ILE A 8 -5.051 9.196 -7.272 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -4.140 8.213 -9.995 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -5.220 7.337 -8.928 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -4.460 10.995 -8.861 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -3.286 10.883 -7.528 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -2.877 10.228 -9.132 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -6.476 8.540 -10.650 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -6.851 9.188 -9.035 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -5.755 10.078 -10.119 1.00 0.00 H new ATOM 149 N LEU A 9 -3.002 5.839 -6.688 1.00 0.00 N ATOM 150 CA LEU A 9 -3.449 4.570 -6.138 1.00 0.00 C ATOM 151 C LEU A 9 -3.870 4.734 -4.685 1.00 0.00 C ATOM 152 O LEU A 9 -3.069 5.121 -3.828 1.00 0.00 O ATOM 153 CB LEU A 9 -2.337 3.525 -6.237 1.00 0.00 C ATOM 154 CG LEU A 9 -1.767 3.303 -7.641 1.00 0.00 C ATOM 155 CD1 LEU A 9 -0.623 2.302 -7.594 1.00 0.00 C ATOM 156 CD2 LEU A 9 -2.858 2.821 -8.587 1.00 0.00 C ATOM 0 H LEU A 9 -2.032 5.839 -7.002 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.308 4.233 -6.718 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -1.523 3.822 -5.576 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -2.720 2.575 -5.865 1.00 0.00 H new ATOM 0 HG LEU A 9 -1.382 4.252 -8.014 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -0.228 2.154 -8.599 1.00 0.00 H new ATOM 0 HD12 LEU A 9 0.167 2.682 -6.946 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -0.987 1.352 -7.204 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -2.437 2.668 -9.581 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -3.270 1.881 -8.219 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.650 3.568 -8.640 1.00 0.00 H new ATOM 168 N VAL A 10 -5.133 4.445 -4.424 1.00 0.00 N ATOM 169 CA VAL A 10 -5.693 4.568 -3.091 1.00 0.00 C ATOM 170 C VAL A 10 -6.384 3.274 -2.682 1.00 0.00 C ATOM 171 O VAL A 10 -6.701 2.435 -3.528 1.00 0.00 O ATOM 172 CB VAL A 10 -6.700 5.741 -2.987 1.00 0.00 C ATOM 173 CG1 VAL A 10 -6.011 7.077 -3.223 1.00 0.00 C ATOM 174 CG2 VAL A 10 -7.846 5.552 -3.966 1.00 0.00 C ATOM 0 H VAL A 10 -5.796 4.120 -5.127 1.00 0.00 H new ATOM 0 HA VAL A 10 -4.862 4.773 -2.416 1.00 0.00 H new ATOM 0 HB VAL A 10 -7.106 5.745 -1.976 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -6.742 7.882 -3.144 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -5.230 7.221 -2.476 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -5.567 7.086 -4.218 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -8.542 6.386 -3.877 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -7.454 5.513 -4.982 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -8.366 4.620 -3.742 1.00 0.00 H new ATOM 184 N CYS A 11 -6.583 3.112 -1.383 1.00 0.00 N ATOM 185 CA CYS A 11 -7.290 1.961 -0.856 1.00 0.00 C ATOM 186 C CYS A 11 -8.721 1.967 -1.379 1.00 0.00 C ATOM 187 O CYS A 11 -9.341 3.024 -1.473 1.00 0.00 O ATOM 188 CB CYS A 11 -7.304 2.014 0.674 1.00 0.00 C ATOM 189 SG CYS A 11 -5.710 2.418 1.425 1.00 0.00 S ATOM 0 H CYS A 11 -6.261 3.769 -0.672 1.00 0.00 H new ATOM 0 HA CYS A 11 -6.785 1.050 -1.176 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -8.039 2.753 0.993 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -7.637 1.049 1.055 1.00 0.00 H new ATOM 0 HG CYS A 11 -5.255 3.522 0.911 1.00 0.00 H new ATOM 195 N PRO A 12 -9.278 0.793 -1.689 1.00 0.00 N ATOM 196 CA PRO A 12 -10.636 0.687 -2.226 1.00 0.00 C ATOM 197 C PRO A 12 -11.702 1.008 -1.182 1.00 0.00 C ATOM 198 O PRO A 12 -12.791 1.471 -1.515 1.00 0.00 O ATOM 199 CB PRO A 12 -10.734 -0.779 -2.663 1.00 0.00 C ATOM 200 CG PRO A 12 -9.738 -1.499 -1.821 1.00 0.00 C ATOM 201 CD PRO A 12 -8.621 -0.523 -1.569 1.00 0.00 C ATOM 0 HA PRO A 12 -10.810 1.398 -3.034 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -11.739 -1.171 -2.508 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -10.509 -0.891 -3.724 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -10.186 -1.829 -0.884 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -9.370 -2.390 -2.329 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -8.181 -0.663 -0.582 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -7.817 -0.638 -2.296 1.00 0.00 H new ATOM 209 N VAL A 13 -11.374 0.771 0.084 1.00 0.00 N ATOM 210 CA VAL A 13 -12.326 0.976 1.165 1.00 0.00 C ATOM 211 C VAL A 13 -12.276 2.410 1.691 1.00 0.00 C ATOM 212 O VAL A 13 -13.199 3.193 1.467 1.00 0.00 O ATOM 213 CB VAL A 13 -12.076 -0.006 2.330 1.00 0.00 C ATOM 214 CG1 VAL A 13 -13.162 0.120 3.390 1.00 0.00 C ATOM 215 CG2 VAL A 13 -11.992 -1.435 1.816 1.00 0.00 C ATOM 0 H VAL A 13 -10.458 0.438 0.384 1.00 0.00 H new ATOM 0 HA VAL A 13 -13.316 0.788 0.750 1.00 0.00 H new ATOM 0 HB VAL A 13 -11.122 0.251 2.791 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -12.963 -0.582 4.200 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -13.169 1.136 3.784 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -14.132 -0.104 2.946 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -11.815 -2.112 2.652 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -12.928 -1.701 1.325 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -11.172 -1.517 1.103 1.00 0.00 H new ATOM 225 N THR A 14 -11.190 2.758 2.373 1.00 0.00 N ATOM 226 CA THR A 14 -11.098 4.051 3.047 1.00 0.00 C ATOM 227 C THR A 14 -10.591 5.156 2.116 1.00 0.00 C ATOM 228 O THR A 14 -10.578 6.328 2.494 1.00 0.00 O ATOM 229 CB THR A 14 -10.192 3.973 4.300 1.00 0.00 C ATOM 230 OG1 THR A 14 -10.190 5.229 5.000 1.00 0.00 O ATOM 231 CG2 THR A 14 -8.768 3.596 3.920 1.00 0.00 C ATOM 0 H THR A 14 -10.365 2.167 2.474 1.00 0.00 H new ATOM 0 HA THR A 14 -12.112 4.305 3.356 1.00 0.00 H new ATOM 0 HB THR A 14 -10.595 3.200 4.954 1.00 0.00 H new ATOM 0 HG1 THR A 14 -10.334 5.959 4.362 1.00 0.00 H new ATOM 0 HG21 THR A 14 -8.152 3.548 4.818 1.00 0.00 H new ATOM 0 HG22 THR A 14 -8.768 2.623 3.428 1.00 0.00 H new ATOM 0 HG23 THR A 14 -8.362 4.346 3.241 1.00 0.00 H new ATOM 239 N LYS A 15 -10.176 4.777 0.910 1.00 0.00 N ATOM 240 CA LYS A 15 -9.697 5.734 -0.092 1.00 0.00 C ATOM 241 C LYS A 15 -8.522 6.567 0.443 1.00 0.00 C ATOM 242 O LYS A 15 -8.640 7.777 0.667 1.00 0.00 O ATOM 243 CB LYS A 15 -10.852 6.633 -0.557 1.00 0.00 C ATOM 244 CG LYS A 15 -10.529 7.507 -1.761 1.00 0.00 C ATOM 245 CD LYS A 15 -11.773 8.216 -2.273 1.00 0.00 C ATOM 246 CE LYS A 15 -12.786 7.224 -2.830 1.00 0.00 C ATOM 247 NZ LYS A 15 -14.089 7.864 -3.139 1.00 0.00 N ATOM 0 H LYS A 15 -10.161 3.806 0.598 1.00 0.00 H new ATOM 0 HA LYS A 15 -9.327 5.174 -0.951 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -11.709 6.005 -0.800 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -11.152 7.275 0.271 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -9.774 8.244 -1.487 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -10.103 6.894 -2.555 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -12.228 8.787 -1.464 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -11.494 8.929 -3.049 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -12.384 6.767 -3.735 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -12.940 6.421 -2.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -14.746 7.151 -3.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -14.487 8.278 -2.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -13.949 8.613 -3.847 1.00 0.00 H new ATOM 261 N GLY A 16 -7.403 5.892 0.678 1.00 0.00 N ATOM 262 CA GLY A 16 -6.183 6.560 1.111 1.00 0.00 C ATOM 263 C GLY A 16 -4.977 6.008 0.381 1.00 0.00 C ATOM 264 O GLY A 16 -5.087 4.972 -0.267 1.00 0.00 O ATOM 0 H GLY A 16 -7.316 4.881 0.576 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -6.265 7.631 0.927 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -6.054 6.430 2.185 1.00 0.00 H new ATOM 268 N ARG A 17 -3.830 6.666 0.499 1.00 0.00 N ATOM 269 CA ARG A 17 -2.654 6.310 -0.278 1.00 0.00 C ATOM 270 C ARG A 17 -2.171 4.888 -0.001 1.00 0.00 C ATOM 271 O ARG A 17 -2.485 4.290 1.034 1.00 0.00 O ATOM 272 CB ARG A 17 -1.532 7.299 0.005 1.00 0.00 C ATOM 273 CG ARG A 17 -1.416 8.409 -1.029 1.00 0.00 C ATOM 274 CD ARG A 17 -1.093 7.854 -2.409 1.00 0.00 C ATOM 275 NE ARG A 17 0.172 7.116 -2.431 1.00 0.00 N ATOM 276 CZ ARG A 17 0.721 6.605 -3.532 1.00 0.00 C ATOM 277 NH1 ARG A 17 0.111 6.728 -4.705 1.00 0.00 N ATOM 278 NH2 ARG A 17 1.880 5.968 -3.452 1.00 0.00 N ATOM 0 H ARG A 17 -3.691 7.455 1.131 1.00 0.00 H new ATOM 0 HA ARG A 17 -2.939 6.353 -1.329 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -1.693 7.745 0.987 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -0.587 6.758 0.051 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -2.351 8.968 -1.070 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -0.638 9.110 -0.726 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -1.900 7.196 -2.731 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -1.045 8.674 -3.125 1.00 0.00 H new ATOM 0 HE ARG A 17 0.664 6.985 -1.547 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -0.783 7.216 -4.766 1.00 0.00 H new ATOM 0 HH12 ARG A 17 0.536 6.335 -5.545 1.00 0.00 H new ATOM 0 HH21 ARG A 17 2.347 5.871 -2.551 1.00 0.00 H new ATOM 0 HH22 ARG A 17 2.305 5.575 -4.292 1.00 0.00 H new ATOM 292 N LEU A 18 -1.394 4.365 -0.941 1.00 0.00 N ATOM 293 CA LEU A 18 -0.863 3.013 -0.853 1.00 0.00 C ATOM 294 C LEU A 18 0.659 3.031 -0.897 1.00 0.00 C ATOM 295 O LEU A 18 1.252 3.558 -1.837 1.00 0.00 O ATOM 296 CB LEU A 18 -1.396 2.157 -2.006 1.00 0.00 C ATOM 297 CG LEU A 18 -2.907 1.922 -2.005 1.00 0.00 C ATOM 298 CD1 LEU A 18 -3.342 1.254 -3.298 1.00 0.00 C ATOM 299 CD2 LEU A 18 -3.316 1.075 -0.809 1.00 0.00 C ATOM 0 H LEU A 18 -1.115 4.866 -1.784 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.186 2.583 0.095 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.120 2.633 -2.947 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -0.895 1.189 -1.979 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.404 2.889 -1.929 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.420 1.094 -3.280 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.084 1.893 -4.142 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.835 0.295 -3.400 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -4.395 0.919 -0.826 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.809 0.111 -0.855 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.038 1.587 0.112 1.00 0.00 H new ATOM 311 N GLU A 19 1.281 2.457 0.119 1.00 0.00 N ATOM 312 CA GLU A 19 2.732 2.365 0.175 1.00 0.00 C ATOM 313 C GLU A 19 3.223 1.121 -0.553 1.00 0.00 C ATOM 314 O GLU A 19 3.328 0.051 0.047 1.00 0.00 O ATOM 315 CB GLU A 19 3.210 2.328 1.631 1.00 0.00 C ATOM 316 CG GLU A 19 3.197 3.679 2.321 1.00 0.00 C ATOM 317 CD GLU A 19 4.293 4.586 1.811 1.00 0.00 C ATOM 318 OE1 GLU A 19 5.446 4.448 2.276 1.00 0.00 O ATOM 319 OE2 GLU A 19 4.012 5.430 0.936 1.00 0.00 O ATOM 0 H GLU A 19 0.802 2.046 0.920 1.00 0.00 H new ATOM 0 HA GLU A 19 3.143 3.247 -0.316 1.00 0.00 H new ATOM 0 HB2 GLU A 19 2.579 1.639 2.192 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.223 1.927 1.660 1.00 0.00 H new ATOM 0 HG2 GLU A 19 2.230 4.156 2.165 1.00 0.00 H new ATOM 0 HG3 GLU A 19 3.314 3.538 3.396 1.00 0.00 H new ATOM 326 N TYR A 20 3.491 1.245 -1.848 1.00 0.00 N ATOM 327 CA TYR A 20 4.052 0.132 -2.599 1.00 0.00 C ATOM 328 C TYR A 20 5.565 0.119 -2.454 1.00 0.00 C ATOM 329 O TYR A 20 6.197 1.169 -2.373 1.00 0.00 O ATOM 330 CB TYR A 20 3.639 0.158 -4.080 1.00 0.00 C ATOM 331 CG TYR A 20 3.963 1.431 -4.842 1.00 0.00 C ATOM 332 CD1 TYR A 20 5.230 1.654 -5.368 1.00 0.00 C ATOM 333 CD2 TYR A 20 2.981 2.389 -5.069 1.00 0.00 C ATOM 334 CE1 TYR A 20 5.509 2.795 -6.097 1.00 0.00 C ATOM 335 CE2 TYR A 20 3.256 3.534 -5.791 1.00 0.00 C ATOM 336 CZ TYR A 20 4.520 3.732 -6.304 1.00 0.00 C ATOM 337 OH TYR A 20 4.791 4.862 -7.045 1.00 0.00 O ATOM 0 H TYR A 20 3.331 2.093 -2.392 1.00 0.00 H new ATOM 0 HA TYR A 20 3.646 -0.789 -2.180 1.00 0.00 H new ATOM 0 HB2 TYR A 20 4.123 -0.677 -4.586 1.00 0.00 H new ATOM 0 HB3 TYR A 20 2.564 -0.013 -4.139 1.00 0.00 H new ATOM 0 HD1 TYR A 20 6.009 0.924 -5.205 1.00 0.00 H new ATOM 0 HD2 TYR A 20 1.987 2.235 -4.674 1.00 0.00 H new ATOM 0 HE1 TYR A 20 6.498 2.951 -6.502 1.00 0.00 H new ATOM 0 HE2 TYR A 20 2.484 4.271 -5.953 1.00 0.00 H new ATOM 0 HH TYR A 20 4.209 5.594 -6.751 1.00 0.00 H new ATOM 347 N HIS A 21 6.142 -1.073 -2.386 1.00 0.00 N ATOM 348 CA HIS A 21 7.576 -1.194 -2.166 1.00 0.00 C ATOM 349 C HIS A 21 8.323 -1.501 -3.458 1.00 0.00 C ATOM 350 O HIS A 21 8.779 -0.581 -4.139 1.00 0.00 O ATOM 351 CB HIS A 21 7.883 -2.246 -1.098 1.00 0.00 C ATOM 352 CG HIS A 21 7.508 -1.814 0.288 1.00 0.00 C ATOM 353 ND1 HIS A 21 8.435 -1.466 1.246 1.00 0.00 N ATOM 354 CD2 HIS A 21 6.296 -1.668 0.872 1.00 0.00 C ATOM 355 CE1 HIS A 21 7.812 -1.128 2.358 1.00 0.00 C ATOM 356 NE2 HIS A 21 6.512 -1.239 2.158 1.00 0.00 N ATOM 0 H HIS A 21 5.646 -1.960 -2.479 1.00 0.00 H new ATOM 0 HA HIS A 21 7.929 -0.228 -1.805 1.00 0.00 H new ATOM 0 HB2 HIS A 21 7.350 -3.166 -1.341 1.00 0.00 H new ATOM 0 HB3 HIS A 21 8.948 -2.478 -1.123 1.00 0.00 H new ATOM 0 HD2 HIS A 21 5.337 -1.854 0.412 1.00 0.00 H new ATOM 0 HE1 HIS A 21 8.285 -0.814 3.277 1.00 0.00 H new ATOM 0 HE2 HIS A 21 5.787 -1.039 2.846 1.00 0.00 H new ATOM 365 N GLN A 22 8.431 -2.780 -3.816 1.00 0.00 N ATOM 366 CA GLN A 22 9.217 -3.156 -4.985 1.00 0.00 C ATOM 367 C GLN A 22 9.063 -4.632 -5.329 1.00 0.00 C ATOM 368 O GLN A 22 8.503 -4.976 -6.372 1.00 0.00 O ATOM 369 CB GLN A 22 10.698 -2.852 -4.739 1.00 0.00 C ATOM 370 CG GLN A 22 11.346 -2.011 -5.830 1.00 0.00 C ATOM 371 CD GLN A 22 11.275 -2.655 -7.200 1.00 0.00 C ATOM 372 OE1 GLN A 22 12.155 -3.426 -7.583 1.00 0.00 O ATOM 373 NE2 GLN A 22 10.240 -2.320 -7.955 1.00 0.00 N ATOM 0 H GLN A 22 7.993 -3.558 -3.323 1.00 0.00 H new ATOM 0 HA GLN A 22 8.844 -2.571 -5.826 1.00 0.00 H new ATOM 0 HB2 GLN A 22 10.798 -2.333 -3.786 1.00 0.00 H new ATOM 0 HB3 GLN A 22 11.241 -3.793 -4.648 1.00 0.00 H new ATOM 0 HG2 GLN A 22 10.858 -1.037 -5.867 1.00 0.00 H new ATOM 0 HG3 GLN A 22 12.390 -1.834 -5.572 1.00 0.00 H new ATOM 0 HE21 GLN A 22 9.534 -1.677 -7.596 1.00 0.00 H new ATOM 0 HE22 GLN A 22 10.149 -2.705 -8.895 1.00 0.00 H new ATOM 382 N ASP A 23 9.540 -5.492 -4.430 1.00 0.00 N ATOM 383 CA ASP A 23 9.720 -6.915 -4.729 1.00 0.00 C ATOM 384 C ASP A 23 8.423 -7.573 -5.180 1.00 0.00 C ATOM 385 O ASP A 23 8.405 -8.313 -6.162 1.00 0.00 O ATOM 386 CB ASP A 23 10.284 -7.655 -3.514 1.00 0.00 C ATOM 387 CG ASP A 23 10.724 -9.066 -3.851 1.00 0.00 C ATOM 388 OD1 ASP A 23 11.827 -9.229 -4.419 1.00 0.00 O ATOM 389 OD2 ASP A 23 9.976 -10.020 -3.560 1.00 0.00 O ATOM 0 H ASP A 23 9.811 -5.227 -3.483 1.00 0.00 H new ATOM 0 HA ASP A 23 10.431 -6.980 -5.552 1.00 0.00 H new ATOM 0 HB2 ASP A 23 11.132 -7.099 -3.114 1.00 0.00 H new ATOM 0 HB3 ASP A 23 9.528 -7.690 -2.730 1.00 0.00 H new ATOM 394 N LYS A 24 7.339 -7.308 -4.469 1.00 0.00 N ATOM 395 CA LYS A 24 6.054 -7.884 -4.819 1.00 0.00 C ATOM 396 C LYS A 24 5.056 -6.779 -5.124 1.00 0.00 C ATOM 397 O LYS A 24 3.857 -7.034 -5.246 1.00 0.00 O ATOM 398 CB LYS A 24 5.529 -8.754 -3.675 1.00 0.00 C ATOM 399 CG LYS A 24 6.508 -9.818 -3.207 1.00 0.00 C ATOM 400 CD LYS A 24 5.871 -10.739 -2.180 1.00 0.00 C ATOM 401 CE LYS A 24 6.885 -11.703 -1.584 1.00 0.00 C ATOM 402 NZ LYS A 24 6.231 -12.742 -0.741 1.00 0.00 N ATOM 0 H LYS A 24 7.324 -6.700 -3.650 1.00 0.00 H new ATOM 0 HA LYS A 24 6.182 -8.508 -5.704 1.00 0.00 H new ATOM 0 HB2 LYS A 24 5.275 -8.112 -2.831 1.00 0.00 H new ATOM 0 HB3 LYS A 24 4.607 -9.239 -3.995 1.00 0.00 H new ATOM 0 HG2 LYS A 24 6.849 -10.403 -4.061 1.00 0.00 H new ATOM 0 HG3 LYS A 24 7.388 -9.341 -2.775 1.00 0.00 H new ATOM 0 HD2 LYS A 24 5.424 -10.143 -1.384 1.00 0.00 H new ATOM 0 HD3 LYS A 24 5.064 -11.303 -2.648 1.00 0.00 H new ATOM 0 HE2 LYS A 24 7.444 -12.185 -2.386 1.00 0.00 H new ATOM 0 HE3 LYS A 24 7.605 -11.148 -0.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 6.955 -13.380 -0.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 5.719 -12.284 0.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 5.562 -13.289 -1.320 1.00 0.00 H new ATOM 416 N GLN A 25 5.575 -5.554 -5.273 1.00 0.00 N ATOM 417 CA GLN A 25 4.747 -4.361 -5.413 1.00 0.00 C ATOM 418 C GLN A 25 3.700 -4.322 -4.305 1.00 0.00 C ATOM 419 O GLN A 25 2.541 -3.977 -4.528 1.00 0.00 O ATOM 420 CB GLN A 25 4.093 -4.328 -6.793 1.00 0.00 C ATOM 421 CG GLN A 25 5.091 -4.210 -7.932 1.00 0.00 C ATOM 422 CD GLN A 25 5.801 -2.870 -7.951 1.00 0.00 C ATOM 423 OE1 GLN A 25 5.259 -1.857 -7.509 1.00 0.00 O ATOM 424 NE2 GLN A 25 7.010 -2.852 -8.482 1.00 0.00 N ATOM 0 H GLN A 25 6.577 -5.368 -5.299 1.00 0.00 H new ATOM 0 HA GLN A 25 5.376 -3.476 -5.320 1.00 0.00 H new ATOM 0 HB2 GLN A 25 3.503 -5.235 -6.929 1.00 0.00 H new ATOM 0 HB3 GLN A 25 3.400 -3.488 -6.838 1.00 0.00 H new ATOM 0 HG2 GLN A 25 5.830 -5.007 -7.846 1.00 0.00 H new ATOM 0 HG3 GLN A 25 4.573 -4.356 -8.880 1.00 0.00 H new ATOM 0 HE21 GLN A 25 7.424 -3.714 -8.837 1.00 0.00 H new ATOM 0 HE22 GLN A 25 7.530 -1.976 -8.537 1.00 0.00 H new ATOM 433 N GLU A 26 4.136 -4.676 -3.103 1.00 0.00 N ATOM 434 CA GLU A 26 3.246 -4.801 -1.964 1.00 0.00 C ATOM 435 C GLU A 26 2.651 -3.455 -1.590 1.00 0.00 C ATOM 436 O GLU A 26 3.378 -2.527 -1.237 1.00 0.00 O ATOM 437 CB GLU A 26 3.989 -5.375 -0.754 1.00 0.00 C ATOM 438 CG GLU A 26 5.096 -6.357 -1.106 1.00 0.00 C ATOM 439 CD GLU A 26 6.427 -5.669 -1.352 1.00 0.00 C ATOM 440 OE1 GLU A 26 7.190 -5.480 -0.385 1.00 0.00 O ATOM 441 OE2 GLU A 26 6.719 -5.311 -2.514 1.00 0.00 O ATOM 0 H GLU A 26 5.113 -4.883 -2.894 1.00 0.00 H new ATOM 0 HA GLU A 26 2.443 -5.480 -2.250 1.00 0.00 H new ATOM 0 HB2 GLU A 26 4.418 -4.552 -0.182 1.00 0.00 H new ATOM 0 HB3 GLU A 26 3.270 -5.874 -0.104 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.208 -7.079 -0.297 1.00 0.00 H new ATOM 0 HG3 GLU A 26 4.810 -6.918 -1.996 1.00 0.00 H new ATOM 448 N LEU A 27 1.334 -3.358 -1.672 1.00 0.00 N ATOM 449 CA LEU A 27 0.626 -2.156 -1.273 1.00 0.00 C ATOM 450 C LEU A 27 0.375 -2.182 0.222 1.00 0.00 C ATOM 451 O LEU A 27 -0.440 -2.969 0.704 1.00 0.00 O ATOM 452 CB LEU A 27 -0.721 -2.044 -1.992 1.00 0.00 C ATOM 453 CG LEU A 27 -0.666 -1.999 -3.517 1.00 0.00 C ATOM 454 CD1 LEU A 27 -2.071 -1.967 -4.090 1.00 0.00 C ATOM 455 CD2 LEU A 27 0.127 -0.794 -3.990 1.00 0.00 C ATOM 0 H LEU A 27 0.731 -4.105 -2.015 1.00 0.00 H new ATOM 0 HA LEU A 27 1.244 -1.299 -1.541 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.340 -2.891 -1.696 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -1.224 -1.143 -1.640 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.163 -2.898 -3.872 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.019 -1.935 -5.178 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.611 -2.861 -3.778 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.593 -1.082 -3.725 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.154 -0.781 -5.080 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.347 0.118 -3.628 1.00 0.00 H new ATOM 0 HD23 LEU A 27 1.144 -0.853 -3.603 1.00 0.00 H new ATOM 467 N TRP A 28 1.069 -1.338 0.954 1.00 0.00 N ATOM 468 CA TRP A 28 0.843 -1.231 2.380 1.00 0.00 C ATOM 469 C TRP A 28 -0.164 -0.128 2.655 1.00 0.00 C ATOM 470 O TRP A 28 0.152 1.059 2.567 1.00 0.00 O ATOM 471 CB TRP A 28 2.152 -0.952 3.124 1.00 0.00 C ATOM 472 CG TRP A 28 3.048 -2.148 3.247 1.00 0.00 C ATOM 473 CD1 TRP A 28 3.448 -2.990 2.247 1.00 0.00 C ATOM 474 CD2 TRP A 28 3.671 -2.629 4.445 1.00 0.00 C ATOM 475 NE1 TRP A 28 4.276 -3.964 2.753 1.00 0.00 N ATOM 476 CE2 TRP A 28 4.425 -3.764 4.100 1.00 0.00 C ATOM 477 CE3 TRP A 28 3.661 -2.210 5.778 1.00 0.00 C ATOM 478 CZ2 TRP A 28 5.163 -4.483 5.036 1.00 0.00 C ATOM 479 CZ3 TRP A 28 4.391 -2.926 6.706 1.00 0.00 C ATOM 480 CH2 TRP A 28 5.131 -4.050 6.332 1.00 0.00 C ATOM 0 H TRP A 28 1.792 -0.718 0.588 1.00 0.00 H new ATOM 0 HA TRP A 28 0.447 -2.180 2.742 1.00 0.00 H new ATOM 0 HB2 TRP A 28 2.691 -0.158 2.606 1.00 0.00 H new ATOM 0 HB3 TRP A 28 1.919 -0.581 4.122 1.00 0.00 H new ATOM 0 HD1 TRP A 28 3.156 -2.903 1.211 1.00 0.00 H new ATOM 0 HE1 TRP A 28 4.709 -4.713 2.213 1.00 0.00 H new ATOM 0 HE3 TRP A 28 3.093 -1.342 6.077 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 5.739 -5.350 4.749 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 4.390 -2.611 7.739 1.00 0.00 H new ATOM 0 HH2 TRP A 28 5.690 -4.589 7.083 1.00 0.00 H new ATOM 491 N SER A 29 -1.385 -0.530 2.960 1.00 0.00 N ATOM 492 CA SER A 29 -2.443 0.413 3.258 1.00 0.00 C ATOM 493 C SER A 29 -2.609 0.550 4.763 1.00 0.00 C ATOM 494 O SER A 29 -3.337 -0.213 5.394 1.00 0.00 O ATOM 495 CB SER A 29 -3.753 -0.025 2.598 1.00 0.00 C ATOM 496 OG SER A 29 -4.035 -1.388 2.857 1.00 0.00 O ATOM 0 H SER A 29 -1.667 -1.509 3.007 1.00 0.00 H new ATOM 0 HA SER A 29 -2.173 1.388 2.852 1.00 0.00 H new ATOM 0 HB2 SER A 29 -4.572 0.593 2.967 1.00 0.00 H new ATOM 0 HB3 SER A 29 -3.691 0.137 1.522 1.00 0.00 H new ATOM 0 HG SER A 29 -3.410 -1.729 3.531 1.00 0.00 H new ATOM 502 N ARG A 30 -1.906 1.516 5.333 1.00 0.00 N ATOM 503 CA ARG A 30 -1.905 1.710 6.776 1.00 0.00 C ATOM 504 C ARG A 30 -3.276 2.177 7.257 1.00 0.00 C ATOM 505 O ARG A 30 -3.694 1.852 8.370 1.00 0.00 O ATOM 506 CB ARG A 30 -0.819 2.718 7.166 1.00 0.00 C ATOM 507 CG ARG A 30 -0.028 2.326 8.407 1.00 0.00 C ATOM 508 CD ARG A 30 -0.448 3.119 9.635 1.00 0.00 C ATOM 509 NE ARG A 30 -1.792 2.782 10.101 1.00 0.00 N ATOM 510 CZ ARG A 30 -2.259 3.103 11.304 1.00 0.00 C ATOM 511 NH1 ARG A 30 -1.486 3.759 12.163 1.00 0.00 N ATOM 512 NH2 ARG A 30 -3.498 2.768 11.646 1.00 0.00 N ATOM 0 H ARG A 30 -1.327 2.180 4.818 1.00 0.00 H new ATOM 0 HA ARG A 30 -1.687 0.758 7.259 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -0.129 2.835 6.330 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -1.283 3.690 7.335 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -0.164 1.262 8.601 1.00 0.00 H new ATOM 0 HG3 ARG A 30 1.035 2.483 8.222 1.00 0.00 H new ATOM 0 HD2 ARG A 30 0.265 2.938 10.439 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -0.406 4.184 9.405 1.00 0.00 H new ATOM 0 HE ARG A 30 -2.407 2.271 9.467 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -0.535 4.016 11.900 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -1.844 4.005 13.086 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -4.091 2.265 10.986 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -3.857 3.014 12.569 1.00 0.00 H new ATOM 526 N GLN A 31 -3.978 2.911 6.403 1.00 0.00 N ATOM 527 CA GLN A 31 -5.292 3.430 6.730 1.00 0.00 C ATOM 528 C GLN A 31 -6.350 2.327 6.726 1.00 0.00 C ATOM 529 O GLN A 31 -7.360 2.424 7.422 1.00 0.00 O ATOM 530 CB GLN A 31 -5.662 4.514 5.733 1.00 0.00 C ATOM 531 CG GLN A 31 -4.803 5.763 5.839 1.00 0.00 C ATOM 532 CD GLN A 31 -5.163 6.815 4.811 1.00 0.00 C ATOM 533 OE1 GLN A 31 -4.611 6.840 3.713 1.00 0.00 O ATOM 534 NE2 GLN A 31 -6.094 7.688 5.159 1.00 0.00 N ATOM 0 H GLN A 31 -3.651 3.160 5.470 1.00 0.00 H new ATOM 0 HA GLN A 31 -5.258 3.846 7.737 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -5.578 4.111 4.724 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -6.706 4.789 5.880 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -4.909 6.187 6.838 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -3.755 5.488 5.719 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -6.527 7.632 6.081 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -6.379 8.418 4.506 1.00 0.00 H new ATOM 543 N ALA A 32 -6.112 1.276 5.948 1.00 0.00 N ATOM 544 CA ALA A 32 -7.054 0.169 5.857 1.00 0.00 C ATOM 545 C ALA A 32 -6.576 -0.992 6.714 1.00 0.00 C ATOM 546 O ALA A 32 -7.300 -1.963 6.925 1.00 0.00 O ATOM 547 CB ALA A 32 -7.223 -0.267 4.408 1.00 0.00 C ATOM 0 H ALA A 32 -5.276 1.169 5.373 1.00 0.00 H new ATOM 0 HA ALA A 32 -8.024 0.500 6.228 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -7.930 -1.095 4.357 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -7.600 0.569 3.818 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -6.260 -0.587 4.010 1.00 0.00 H new ATOM 553 N LYS A 33 -5.344 -0.863 7.202 1.00 0.00 N ATOM 554 CA LYS A 33 -4.701 -1.883 8.022 1.00 0.00 C ATOM 555 C LYS A 33 -4.536 -3.181 7.238 1.00 0.00 C ATOM 556 O LYS A 33 -4.494 -4.268 7.815 1.00 0.00 O ATOM 557 CB LYS A 33 -5.504 -2.131 9.305 1.00 0.00 C ATOM 558 CG LYS A 33 -5.693 -0.884 10.159 1.00 0.00 C ATOM 559 CD LYS A 33 -6.494 -1.181 11.418 1.00 0.00 C ATOM 560 CE LYS A 33 -5.730 -2.086 12.373 1.00 0.00 C ATOM 561 NZ LYS A 33 -6.520 -2.398 13.592 1.00 0.00 N ATOM 0 H LYS A 33 -4.762 -0.042 7.038 1.00 0.00 H new ATOM 0 HA LYS A 33 -3.711 -1.521 8.299 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -6.483 -2.530 9.039 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -4.999 -2.894 9.898 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.719 -0.480 10.434 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -6.203 -0.117 9.576 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -6.740 -0.246 11.922 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -7.438 -1.654 11.146 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -5.468 -3.013 11.863 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -4.795 -1.605 12.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -5.965 -3.017 14.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -6.749 -1.516 14.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -7.401 -2.880 13.321 1.00 0.00 H new ATOM 575 N LEU A 34 -4.410 -3.053 5.922 1.00 0.00 N ATOM 576 CA LEU A 34 -4.285 -4.209 5.048 1.00 0.00 C ATOM 577 C LEU A 34 -3.069 -4.076 4.135 1.00 0.00 C ATOM 578 O LEU A 34 -2.374 -3.055 4.143 1.00 0.00 O ATOM 579 CB LEU A 34 -5.549 -4.376 4.191 1.00 0.00 C ATOM 580 CG LEU A 34 -6.859 -4.557 4.965 1.00 0.00 C ATOM 581 CD1 LEU A 34 -8.038 -4.576 4.010 1.00 0.00 C ATOM 582 CD2 LEU A 34 -6.824 -5.839 5.782 1.00 0.00 C ATOM 0 H LEU A 34 -4.392 -2.156 5.437 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.158 -5.088 5.679 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.647 -3.502 3.547 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.412 -5.239 3.539 1.00 0.00 H new ATOM 0 HG LEU A 34 -6.974 -3.715 5.647 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -8.961 -4.705 4.575 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -8.077 -3.635 3.461 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -7.924 -5.401 3.307 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -7.763 -5.950 6.325 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -6.686 -6.691 5.116 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -5.998 -5.796 6.492 1.00 0.00 H new ATOM 594 N ALA A 35 -2.830 -5.109 3.351 1.00 0.00 N ATOM 595 CA ALA A 35 -1.751 -5.112 2.371 1.00 0.00 C ATOM 596 C ALA A 35 -2.189 -5.853 1.112 1.00 0.00 C ATOM 597 O ALA A 35 -2.650 -6.995 1.187 1.00 0.00 O ATOM 598 CB ALA A 35 -0.500 -5.755 2.954 1.00 0.00 C ATOM 0 H ALA A 35 -3.375 -5.971 3.372 1.00 0.00 H new ATOM 0 HA ALA A 35 -1.517 -4.080 2.109 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.294 -5.748 2.208 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -0.178 -5.195 3.832 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.719 -6.784 3.241 1.00 0.00 H new ATOM 604 N TYR A 36 -2.050 -5.203 -0.034 1.00 0.00 N ATOM 605 CA TYR A 36 -2.486 -5.775 -1.303 1.00 0.00 C ATOM 606 C TYR A 36 -1.285 -6.136 -2.176 1.00 0.00 C ATOM 607 O TYR A 36 -0.273 -5.441 -2.167 1.00 0.00 O ATOM 608 CB TYR A 36 -3.382 -4.783 -2.057 1.00 0.00 C ATOM 609 CG TYR A 36 -4.667 -4.429 -1.341 1.00 0.00 C ATOM 610 CD1 TYR A 36 -4.711 -3.394 -0.414 1.00 0.00 C ATOM 611 CD2 TYR A 36 -5.841 -5.125 -1.600 1.00 0.00 C ATOM 612 CE1 TYR A 36 -5.886 -3.067 0.236 1.00 0.00 C ATOM 613 CE2 TYR A 36 -7.019 -4.802 -0.957 1.00 0.00 C ATOM 614 CZ TYR A 36 -7.037 -3.775 -0.041 1.00 0.00 C ATOM 615 OH TYR A 36 -8.211 -3.455 0.600 1.00 0.00 O ATOM 0 H TYR A 36 -1.637 -4.274 -0.113 1.00 0.00 H new ATOM 0 HA TYR A 36 -3.052 -6.681 -1.085 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -2.818 -3.868 -2.238 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -3.628 -5.204 -3.032 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -3.812 -2.836 -0.198 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -5.832 -5.933 -2.317 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -5.903 -2.262 0.956 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -7.923 -5.353 -1.172 1.00 0.00 H new ATOM 0 HH TYR A 36 -8.926 -4.049 0.289 1.00 0.00 H new ATOM 625 N PRO A 37 -1.374 -7.238 -2.930 1.00 0.00 N ATOM 626 CA PRO A 37 -0.333 -7.654 -3.856 1.00 0.00 C ATOM 627 C PRO A 37 -0.578 -7.154 -5.286 1.00 0.00 C ATOM 628 O PRO A 37 -1.683 -7.285 -5.820 1.00 0.00 O ATOM 629 CB PRO A 37 -0.431 -9.181 -3.804 1.00 0.00 C ATOM 630 CG PRO A 37 -1.823 -9.498 -3.323 1.00 0.00 C ATOM 631 CD PRO A 37 -2.484 -8.197 -2.926 1.00 0.00 C ATOM 0 HA PRO A 37 0.644 -7.253 -3.585 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -0.251 -9.616 -4.787 1.00 0.00 H new ATOM 0 HB3 PRO A 37 0.318 -9.596 -3.129 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -2.395 -9.993 -4.108 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -1.787 -10.182 -2.475 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -3.265 -7.911 -3.631 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -2.951 -8.267 -1.944 1.00 0.00 H new ATOM 639 N ILE A 38 0.453 -6.591 -5.903 1.00 0.00 N ATOM 640 CA ILE A 38 0.364 -6.118 -7.283 1.00 0.00 C ATOM 641 C ILE A 38 1.281 -6.939 -8.180 1.00 0.00 C ATOM 642 O ILE A 38 2.470 -7.075 -7.903 1.00 0.00 O ATOM 643 CB ILE A 38 0.757 -4.629 -7.405 1.00 0.00 C ATOM 644 CG1 ILE A 38 -0.194 -3.753 -6.601 1.00 0.00 C ATOM 645 CG2 ILE A 38 0.784 -4.186 -8.859 1.00 0.00 C ATOM 646 CD1 ILE A 38 -1.642 -3.919 -6.999 1.00 0.00 C ATOM 0 H ILE A 38 1.365 -6.449 -5.469 1.00 0.00 H new ATOM 0 HA ILE A 38 -0.674 -6.232 -7.596 1.00 0.00 H new ATOM 0 HB ILE A 38 1.762 -4.516 -6.997 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -0.086 -3.989 -5.542 1.00 0.00 H new ATOM 0 HG13 ILE A 38 0.092 -2.709 -6.726 1.00 0.00 H new ATOM 0 HG21 ILE A 38 1.064 -3.134 -8.914 1.00 0.00 H new ATOM 0 HG22 ILE A 38 1.511 -4.784 -9.408 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -0.204 -4.322 -9.299 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -2.265 -3.266 -6.387 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -1.763 -3.655 -8.050 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -1.944 -4.955 -6.848 1.00 0.00 H new ATOM 658 N LYS A 39 0.733 -7.483 -9.251 1.00 0.00 N ATOM 659 CA LYS A 39 1.517 -8.293 -10.168 1.00 0.00 C ATOM 660 C LYS A 39 1.466 -7.709 -11.571 1.00 0.00 C ATOM 661 O LYS A 39 0.407 -7.685 -12.199 1.00 0.00 O ATOM 662 CB LYS A 39 1.003 -9.733 -10.178 1.00 0.00 C ATOM 663 CG LYS A 39 1.822 -10.662 -11.060 1.00 0.00 C ATOM 664 CD LYS A 39 1.320 -12.095 -10.982 1.00 0.00 C ATOM 665 CE LYS A 39 2.143 -13.023 -11.857 1.00 0.00 C ATOM 666 NZ LYS A 39 1.713 -14.437 -11.723 1.00 0.00 N ATOM 0 H LYS A 39 -0.249 -7.380 -9.508 1.00 0.00 H new ATOM 0 HA LYS A 39 2.553 -8.293 -9.828 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.004 -10.118 -9.158 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -0.032 -9.739 -10.520 1.00 0.00 H new ATOM 0 HG2 LYS A 39 1.778 -10.316 -12.093 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.868 -10.625 -10.756 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.359 -12.439 -9.948 1.00 0.00 H new ATOM 0 HD3 LYS A 39 0.276 -12.133 -11.292 1.00 0.00 H new ATOM 0 HE2 LYS A 39 2.054 -12.714 -12.898 1.00 0.00 H new ATOM 0 HE3 LYS A 39 3.196 -12.937 -11.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 2.300 -15.038 -12.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 1.822 -14.741 -10.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 0.716 -14.525 -12.004 1.00 0.00 H new ATOM 680 N ASP A 40 2.612 -7.211 -12.036 1.00 0.00 N ATOM 681 CA ASP A 40 2.749 -6.667 -13.393 1.00 0.00 C ATOM 682 C ASP A 40 1.870 -5.441 -13.605 1.00 0.00 C ATOM 683 O ASP A 40 1.499 -5.119 -14.734 1.00 0.00 O ATOM 684 CB ASP A 40 2.423 -7.735 -14.446 1.00 0.00 C ATOM 685 CG ASP A 40 3.609 -8.616 -14.767 1.00 0.00 C ATOM 686 OD1 ASP A 40 3.988 -9.453 -13.919 1.00 0.00 O ATOM 687 OD2 ASP A 40 4.177 -8.471 -15.871 1.00 0.00 O ATOM 0 H ASP A 40 3.471 -7.172 -11.487 1.00 0.00 H new ATOM 0 HA ASP A 40 3.788 -6.359 -13.509 1.00 0.00 H new ATOM 0 HB2 ASP A 40 1.601 -8.355 -14.087 1.00 0.00 H new ATOM 0 HB3 ASP A 40 2.080 -7.247 -15.358 1.00 0.00 H new ATOM 692 N GLY A 41 1.550 -4.751 -12.520 1.00 0.00 N ATOM 693 CA GLY A 41 0.731 -3.558 -12.619 1.00 0.00 C ATOM 694 C GLY A 41 -0.738 -3.896 -12.768 1.00 0.00 C ATOM 695 O GLY A 41 -1.546 -3.048 -13.141 1.00 0.00 O ATOM 0 H GLY A 41 1.842 -4.995 -11.573 1.00 0.00 H new ATOM 0 HA2 GLY A 41 0.874 -2.944 -11.730 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.056 -2.964 -13.473 1.00 0.00 H new ATOM 699 N ILE A 42 -1.068 -5.144 -12.477 1.00 0.00 N ATOM 700 CA ILE A 42 -2.435 -5.631 -12.541 1.00 0.00 C ATOM 701 C ILE A 42 -2.975 -5.799 -11.126 1.00 0.00 C ATOM 702 O ILE A 42 -2.792 -6.845 -10.505 1.00 0.00 O ATOM 703 CB ILE A 42 -2.528 -6.974 -13.300 1.00 0.00 C ATOM 704 CG1 ILE A 42 -1.858 -6.863 -14.675 1.00 0.00 C ATOM 705 CG2 ILE A 42 -3.977 -7.405 -13.453 1.00 0.00 C ATOM 706 CD1 ILE A 42 -2.472 -5.815 -15.585 1.00 0.00 C ATOM 0 H ILE A 42 -0.391 -5.850 -12.188 1.00 0.00 H new ATOM 0 HA ILE A 42 -3.032 -4.901 -13.087 1.00 0.00 H new ATOM 0 HB ILE A 42 -2.003 -7.731 -12.718 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -0.802 -6.632 -14.534 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -1.909 -7.833 -15.170 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -4.020 -8.353 -13.990 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -4.427 -7.526 -12.467 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -4.525 -6.646 -14.011 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.940 -5.802 -16.536 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -3.521 -6.054 -15.760 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -2.397 -4.835 -15.114 1.00 0.00 H new ATOM 718 N PRO A 43 -3.578 -4.737 -10.571 1.00 0.00 N ATOM 719 CA PRO A 43 -4.014 -4.705 -9.173 1.00 0.00 C ATOM 720 C PRO A 43 -5.169 -5.661 -8.887 1.00 0.00 C ATOM 721 O PRO A 43 -6.054 -5.859 -9.723 1.00 0.00 O ATOM 722 CB PRO A 43 -4.466 -3.249 -8.961 1.00 0.00 C ATOM 723 CG PRO A 43 -3.960 -2.498 -10.147 1.00 0.00 C ATOM 724 CD PRO A 43 -3.912 -3.490 -11.266 1.00 0.00 C ATOM 0 HA PRO A 43 -3.214 -5.022 -8.504 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -5.551 -3.182 -8.888 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -4.058 -2.842 -8.036 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -4.618 -1.664 -10.392 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -2.973 -2.079 -9.953 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -4.866 -3.559 -11.788 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -3.160 -3.226 -12.010 1.00 0.00 H new ATOM 732 N TYR A 44 -5.149 -6.248 -7.700 1.00 0.00 N ATOM 733 CA TYR A 44 -6.214 -7.132 -7.259 1.00 0.00 C ATOM 734 C TYR A 44 -6.696 -6.702 -5.881 1.00 0.00 C ATOM 735 O TYR A 44 -6.188 -7.174 -4.859 1.00 0.00 O ATOM 736 CB TYR A 44 -5.741 -8.591 -7.212 1.00 0.00 C ATOM 737 CG TYR A 44 -5.210 -9.111 -8.529 1.00 0.00 C ATOM 738 CD1 TYR A 44 -6.067 -9.389 -9.583 1.00 0.00 C ATOM 739 CD2 TYR A 44 -3.850 -9.326 -8.714 1.00 0.00 C ATOM 740 CE1 TYR A 44 -5.587 -9.864 -10.786 1.00 0.00 C ATOM 741 CE2 TYR A 44 -3.361 -9.803 -9.917 1.00 0.00 C ATOM 742 CZ TYR A 44 -4.234 -10.071 -10.947 1.00 0.00 C ATOM 743 OH TYR A 44 -3.756 -10.540 -12.152 1.00 0.00 O ATOM 0 H TYR A 44 -4.399 -6.125 -7.020 1.00 0.00 H new ATOM 0 HA TYR A 44 -7.034 -7.064 -7.974 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -4.962 -8.685 -6.456 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -6.572 -9.221 -6.893 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -7.128 -9.231 -9.460 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -3.164 -9.118 -7.906 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -6.268 -10.073 -11.598 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -2.301 -9.964 -10.047 1.00 0.00 H new ATOM 0 HH TYR A 44 -2.781 -10.631 -12.104 1.00 0.00 H new ATOM 753 N MET A 45 -7.648 -5.781 -5.853 1.00 0.00 N ATOM 754 CA MET A 45 -8.212 -5.299 -4.596 1.00 0.00 C ATOM 755 C MET A 45 -9.222 -6.308 -4.061 1.00 0.00 C ATOM 756 O MET A 45 -10.423 -6.043 -4.007 1.00 0.00 O ATOM 757 CB MET A 45 -8.882 -3.930 -4.776 1.00 0.00 C ATOM 758 CG MET A 45 -7.942 -2.837 -5.256 1.00 0.00 C ATOM 759 SD MET A 45 -6.605 -2.504 -4.097 1.00 0.00 S ATOM 760 CE MET A 45 -5.814 -1.112 -4.899 1.00 0.00 C ATOM 0 H MET A 45 -8.048 -5.350 -6.687 1.00 0.00 H new ATOM 0 HA MET A 45 -7.398 -5.185 -3.880 1.00 0.00 H new ATOM 0 HB2 MET A 45 -9.701 -4.029 -5.489 1.00 0.00 H new ATOM 0 HB3 MET A 45 -9.322 -3.625 -3.826 1.00 0.00 H new ATOM 0 HG2 MET A 45 -7.519 -3.126 -6.218 1.00 0.00 H new ATOM 0 HG3 MET A 45 -8.511 -1.922 -5.420 1.00 0.00 H new ATOM 0 HE1 MET A 45 -4.858 -0.909 -4.416 1.00 0.00 H new ATOM 0 HE2 MET A 45 -5.647 -1.345 -5.951 1.00 0.00 H new ATOM 0 HE3 MET A 45 -6.455 -0.234 -4.819 1.00 0.00 H new ATOM 770 N LEU A 46 -8.729 -7.479 -3.702 1.00 0.00 N ATOM 771 CA LEU A 46 -9.568 -8.553 -3.227 1.00 0.00 C ATOM 772 C LEU A 46 -9.359 -8.757 -1.734 1.00 0.00 C ATOM 773 O LEU A 46 -8.236 -8.979 -1.281 1.00 0.00 O ATOM 774 CB LEU A 46 -9.242 -9.830 -3.995 1.00 0.00 C ATOM 775 CG LEU A 46 -9.394 -9.730 -5.517 1.00 0.00 C ATOM 776 CD1 LEU A 46 -8.947 -11.020 -6.186 1.00 0.00 C ATOM 777 CD2 LEU A 46 -10.834 -9.412 -5.894 1.00 0.00 C ATOM 0 H LEU A 46 -7.736 -7.708 -3.733 1.00 0.00 H new ATOM 0 HA LEU A 46 -10.615 -8.298 -3.394 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -8.217 -10.121 -3.766 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -9.889 -10.629 -3.632 1.00 0.00 H new ATOM 0 HG LEU A 46 -8.757 -8.918 -5.869 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -9.063 -10.929 -7.266 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -7.900 -11.210 -5.948 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -9.557 -11.848 -5.824 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -10.920 -9.345 -6.979 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -11.489 -10.201 -5.526 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -11.125 -8.461 -5.448 1.00 0.00 H new ATOM 789 N GLU A 47 -10.443 -8.675 -0.981 1.00 0.00 N ATOM 790 CA GLU A 47 -10.402 -8.787 0.472 1.00 0.00 C ATOM 791 C GLU A 47 -9.863 -10.146 0.912 1.00 0.00 C ATOM 792 O GLU A 47 -9.218 -10.264 1.952 1.00 0.00 O ATOM 793 CB GLU A 47 -11.802 -8.581 1.054 1.00 0.00 C ATOM 794 CG GLU A 47 -12.401 -7.208 0.787 1.00 0.00 C ATOM 795 CD GLU A 47 -12.931 -7.039 -0.631 1.00 0.00 C ATOM 796 OE1 GLU A 47 -12.936 -8.023 -1.400 1.00 0.00 O ATOM 797 OE2 GLU A 47 -13.349 -5.917 -0.981 1.00 0.00 O ATOM 0 H GLU A 47 -11.379 -8.529 -1.358 1.00 0.00 H new ATOM 0 HA GLU A 47 -9.730 -8.014 0.846 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -12.468 -9.340 0.643 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -11.761 -8.742 2.131 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -13.213 -7.032 1.493 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -11.643 -6.447 0.976 1.00 0.00 H new ATOM 804 N ASN A 48 -10.147 -11.163 0.116 1.00 0.00 N ATOM 805 CA ASN A 48 -9.689 -12.520 0.398 1.00 0.00 C ATOM 806 C ASN A 48 -8.179 -12.628 0.198 1.00 0.00 C ATOM 807 O ASN A 48 -7.495 -13.354 0.919 1.00 0.00 O ATOM 808 CB ASN A 48 -10.422 -13.515 -0.517 1.00 0.00 C ATOM 809 CG ASN A 48 -10.371 -14.963 -0.031 1.00 0.00 C ATOM 810 OD1 ASN A 48 -11.286 -15.743 -0.301 1.00 0.00 O ATOM 811 ND2 ASN A 48 -9.316 -15.338 0.678 1.00 0.00 N ATOM 0 H ASN A 48 -10.697 -11.077 -0.739 1.00 0.00 H new ATOM 0 HA ASN A 48 -9.913 -12.760 1.437 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -11.464 -13.210 -0.607 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -9.987 -13.462 -1.515 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -9.244 -16.297 1.017 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -8.576 -14.667 0.884 1.00 0.00 H new ATOM 818 N GLU A 49 -7.672 -11.885 -0.766 1.00 0.00 N ATOM 819 CA GLU A 49 -6.261 -11.953 -1.126 1.00 0.00 C ATOM 820 C GLU A 49 -5.422 -11.074 -0.207 1.00 0.00 C ATOM 821 O GLU A 49 -4.329 -11.460 0.212 1.00 0.00 O ATOM 822 CB GLU A 49 -6.067 -11.514 -2.578 1.00 0.00 C ATOM 823 CG GLU A 49 -6.883 -12.324 -3.577 1.00 0.00 C ATOM 824 CD GLU A 49 -6.360 -13.732 -3.773 1.00 0.00 C ATOM 825 OE1 GLU A 49 -6.342 -14.512 -2.799 1.00 0.00 O ATOM 826 OE2 GLU A 49 -5.963 -14.066 -4.909 1.00 0.00 O ATOM 0 H GLU A 49 -8.216 -11.223 -1.319 1.00 0.00 H new ATOM 0 HA GLU A 49 -5.932 -12.986 -1.013 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -6.338 -10.462 -2.669 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -5.011 -11.595 -2.835 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -7.918 -12.372 -3.237 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -6.886 -11.808 -4.537 1.00 0.00 H new ATOM 833 N ALA A 50 -5.940 -9.889 0.090 1.00 0.00 N ATOM 834 CA ALA A 50 -5.260 -8.945 0.966 1.00 0.00 C ATOM 835 C ALA A 50 -5.123 -9.499 2.381 1.00 0.00 C ATOM 836 O ALA A 50 -6.029 -10.158 2.896 1.00 0.00 O ATOM 837 CB ALA A 50 -6.005 -7.618 0.993 1.00 0.00 C ATOM 0 H ALA A 50 -6.836 -9.557 -0.267 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.258 -8.784 0.569 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.485 -6.922 1.652 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -6.045 -7.203 -0.014 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -7.019 -7.777 1.361 1.00 0.00 H new ATOM 843 N ARG A 51 -3.981 -9.237 2.995 1.00 0.00 N ATOM 844 CA ARG A 51 -3.723 -9.660 4.357 1.00 0.00 C ATOM 845 C ARG A 51 -3.673 -8.451 5.282 1.00 0.00 C ATOM 846 O ARG A 51 -3.219 -7.384 4.879 1.00 0.00 O ATOM 847 CB ARG A 51 -2.404 -10.426 4.420 1.00 0.00 C ATOM 848 CG ARG A 51 -2.474 -11.813 3.805 1.00 0.00 C ATOM 849 CD ARG A 51 -3.428 -12.721 4.571 1.00 0.00 C ATOM 850 NE ARG A 51 -2.934 -13.035 5.915 1.00 0.00 N ATOM 851 CZ ARG A 51 -3.631 -13.706 6.833 1.00 0.00 C ATOM 852 NH1 ARG A 51 -4.901 -14.022 6.605 1.00 0.00 N ATOM 853 NH2 ARG A 51 -3.061 -14.033 7.989 1.00 0.00 N ATOM 0 H ARG A 51 -3.211 -8.727 2.563 1.00 0.00 H new ATOM 0 HA ARG A 51 -4.530 -10.316 4.684 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -1.634 -9.849 3.907 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -2.095 -10.515 5.461 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -2.800 -11.735 2.768 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -1.479 -12.257 3.794 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -4.403 -12.239 4.647 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -3.573 -13.646 4.013 1.00 0.00 H new ATOM 0 HE ARG A 51 -1.996 -12.720 6.164 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -5.344 -13.751 5.727 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -5.433 -14.535 7.308 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -2.093 -13.771 8.172 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -3.592 -14.546 8.692 1.00 0.00 H new ATOM 867 N PRO A 52 -4.152 -8.596 6.523 1.00 0.00 N ATOM 868 CA PRO A 52 -4.138 -7.509 7.502 1.00 0.00 C ATOM 869 C PRO A 52 -2.744 -7.231 8.055 1.00 0.00 C ATOM 870 O PRO A 52 -1.861 -8.097 8.028 1.00 0.00 O ATOM 871 CB PRO A 52 -5.061 -8.014 8.610 1.00 0.00 C ATOM 872 CG PRO A 52 -5.004 -9.502 8.515 1.00 0.00 C ATOM 873 CD PRO A 52 -4.761 -9.828 7.066 1.00 0.00 C ATOM 0 HA PRO A 52 -4.456 -6.565 7.059 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -4.728 -7.668 9.589 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -6.079 -7.649 8.472 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -4.206 -9.901 9.142 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -5.935 -9.949 8.862 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -4.096 -10.685 6.955 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -5.689 -10.076 6.551 1.00 0.00 H new ATOM 881 N LEU A 53 -2.559 -6.018 8.551 1.00 0.00 N ATOM 882 CA LEU A 53 -1.308 -5.604 9.149 1.00 0.00 C ATOM 883 C LEU A 53 -1.370 -5.755 10.652 1.00 0.00 C ATOM 884 O LEU A 53 -2.447 -5.832 11.241 1.00 0.00 O ATOM 885 CB LEU A 53 -1.009 -4.145 8.809 1.00 0.00 C ATOM 886 CG LEU A 53 -0.576 -3.880 7.373 1.00 0.00 C ATOM 887 CD1 LEU A 53 -0.382 -2.391 7.140 1.00 0.00 C ATOM 888 CD2 LEU A 53 0.700 -4.641 7.041 1.00 0.00 C ATOM 0 H LEU A 53 -3.277 -5.293 8.548 1.00 0.00 H new ATOM 0 HA LEU A 53 -0.517 -6.238 8.750 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -1.900 -3.552 9.016 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.226 -3.788 9.478 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.366 -4.235 6.711 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.073 -2.221 6.109 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.320 -1.868 7.328 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.386 -2.014 7.816 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.989 -4.435 6.010 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.498 -4.323 7.712 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.528 -5.710 7.163 1.00 0.00 H new ATOM 900 N SER A 54 -0.211 -5.792 11.263 1.00 0.00 N ATOM 901 CA SER A 54 -0.117 -5.829 12.705 1.00 0.00 C ATOM 902 C SER A 54 0.265 -4.454 13.230 1.00 0.00 C ATOM 903 O SER A 54 0.662 -3.580 12.455 1.00 0.00 O ATOM 904 CB SER A 54 0.896 -6.886 13.146 1.00 0.00 C ATOM 905 OG SER A 54 2.071 -6.838 12.353 1.00 0.00 O ATOM 0 H SER A 54 0.688 -5.797 10.781 1.00 0.00 H new ATOM 0 HA SER A 54 -1.087 -6.102 13.121 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.155 -6.730 14.193 1.00 0.00 H new ATOM 0 HB3 SER A 54 0.446 -7.876 13.073 1.00 0.00 H new ATOM 0 HG SER A 54 1.857 -7.107 11.435 1.00 0.00 H new ATOM 911 N GLU A 55 0.156 -4.271 14.537 1.00 0.00 N ATOM 912 CA GLU A 55 0.406 -2.992 15.166 1.00 0.00 C ATOM 913 C GLU A 55 1.841 -2.534 14.958 1.00 0.00 C ATOM 914 O GLU A 55 2.092 -1.351 14.766 1.00 0.00 O ATOM 915 CB GLU A 55 0.099 -3.088 16.652 1.00 0.00 C ATOM 916 CG GLU A 55 -1.204 -2.423 17.041 1.00 0.00 C ATOM 917 CD GLU A 55 -1.446 -2.454 18.532 1.00 0.00 C ATOM 918 OE1 GLU A 55 -0.686 -1.800 19.278 1.00 0.00 O ATOM 919 OE2 GLU A 55 -2.393 -3.141 18.968 1.00 0.00 O ATOM 0 H GLU A 55 -0.109 -5.009 15.189 1.00 0.00 H new ATOM 0 HA GLU A 55 -0.246 -2.252 14.701 1.00 0.00 H new ATOM 0 HB2 GLU A 55 0.063 -4.138 16.941 1.00 0.00 H new ATOM 0 HB3 GLU A 55 0.914 -2.631 17.214 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -1.197 -1.388 16.699 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -2.029 -2.921 16.532 1.00 0.00 H new ATOM 926 N GLU A 56 2.774 -3.470 15.009 1.00 0.00 N ATOM 927 CA GLU A 56 4.176 -3.172 14.776 1.00 0.00 C ATOM 928 C GLU A 56 4.371 -2.595 13.376 1.00 0.00 C ATOM 929 O GLU A 56 5.098 -1.620 13.186 1.00 0.00 O ATOM 930 CB GLU A 56 4.977 -4.459 14.956 1.00 0.00 C ATOM 931 CG GLU A 56 6.326 -4.269 15.618 1.00 0.00 C ATOM 932 CD GLU A 56 7.367 -3.671 14.701 1.00 0.00 C ATOM 933 OE1 GLU A 56 7.892 -4.402 13.836 1.00 0.00 O ATOM 934 OE2 GLU A 56 7.676 -2.473 14.847 1.00 0.00 O ATOM 0 H GLU A 56 2.582 -4.451 15.212 1.00 0.00 H new ATOM 0 HA GLU A 56 4.525 -2.424 15.488 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.389 -5.158 15.551 1.00 0.00 H new ATOM 0 HB3 GLU A 56 5.127 -4.919 13.979 1.00 0.00 H new ATOM 0 HG2 GLU A 56 6.207 -3.625 16.489 1.00 0.00 H new ATOM 0 HG3 GLU A 56 6.683 -5.233 15.981 1.00 0.00 H new ATOM 941 N GLU A 57 3.701 -3.200 12.407 1.00 0.00 N ATOM 942 CA GLU A 57 3.727 -2.734 11.033 1.00 0.00 C ATOM 943 C GLU A 57 3.037 -1.382 10.899 1.00 0.00 C ATOM 944 O GLU A 57 3.586 -0.447 10.327 1.00 0.00 O ATOM 945 CB GLU A 57 3.037 -3.762 10.154 1.00 0.00 C ATOM 946 CG GLU A 57 3.724 -5.113 10.179 1.00 0.00 C ATOM 947 CD GLU A 57 3.005 -6.160 9.356 1.00 0.00 C ATOM 948 OE1 GLU A 57 1.875 -6.538 9.734 1.00 0.00 O ATOM 949 OE2 GLU A 57 3.569 -6.624 8.343 1.00 0.00 O ATOM 0 H GLU A 57 3.124 -4.028 12.553 1.00 0.00 H new ATOM 0 HA GLU A 57 4.763 -2.610 10.719 1.00 0.00 H new ATOM 0 HB2 GLU A 57 2.004 -3.879 10.482 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.006 -3.394 9.128 1.00 0.00 H new ATOM 0 HG2 GLU A 57 4.742 -5.003 9.806 1.00 0.00 H new ATOM 0 HG3 GLU A 57 3.797 -5.458 11.210 1.00 0.00 H new ATOM 956 N LEU A 58 1.818 -1.309 11.410 1.00 0.00 N ATOM 957 CA LEU A 58 1.069 -0.055 11.484 1.00 0.00 C ATOM 958 C LEU A 58 1.892 1.071 12.110 1.00 0.00 C ATOM 959 O LEU A 58 1.901 2.197 11.613 1.00 0.00 O ATOM 960 CB LEU A 58 -0.189 -0.262 12.314 1.00 0.00 C ATOM 961 CG LEU A 58 -1.186 -1.268 11.750 1.00 0.00 C ATOM 962 CD1 LEU A 58 -2.309 -1.510 12.741 1.00 0.00 C ATOM 963 CD2 LEU A 58 -1.742 -0.789 10.419 1.00 0.00 C ATOM 0 H LEU A 58 1.317 -2.114 11.786 1.00 0.00 H new ATOM 0 HA LEU A 58 0.817 0.235 10.464 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.104 -0.587 13.312 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.692 0.698 12.426 1.00 0.00 H new ATOM 0 HG LEU A 58 -0.664 -2.210 11.580 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.013 -2.230 12.324 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.896 -1.902 13.670 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.826 -0.572 12.941 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.451 -1.523 10.036 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.248 0.166 10.559 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.926 -0.666 9.707 1.00 0.00 H new ATOM 975 N LYS A 59 2.564 0.762 13.210 1.00 0.00 N ATOM 976 CA LYS A 59 3.361 1.741 13.940 1.00 0.00 C ATOM 977 C LYS A 59 4.595 2.157 13.140 1.00 0.00 C ATOM 978 O LYS A 59 5.171 3.221 13.366 1.00 0.00 O ATOM 979 CB LYS A 59 3.770 1.153 15.292 1.00 0.00 C ATOM 980 CG LYS A 59 3.415 2.022 16.489 1.00 0.00 C ATOM 981 CD LYS A 59 4.391 3.171 16.676 1.00 0.00 C ATOM 982 CE LYS A 59 5.774 2.666 17.054 1.00 0.00 C ATOM 983 NZ LYS A 59 6.704 3.780 17.359 1.00 0.00 N ATOM 0 H LYS A 59 2.573 -0.171 13.622 1.00 0.00 H new ATOM 0 HA LYS A 59 2.758 2.635 14.100 1.00 0.00 H new ATOM 0 HB2 LYS A 59 3.293 0.180 15.411 1.00 0.00 H new ATOM 0 HB3 LYS A 59 4.846 0.982 15.289 1.00 0.00 H new ATOM 0 HG2 LYS A 59 2.409 2.420 16.360 1.00 0.00 H new ATOM 0 HG3 LYS A 59 3.402 1.408 17.390 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.453 3.752 15.756 1.00 0.00 H new ATOM 0 HD3 LYS A 59 4.022 3.842 17.452 1.00 0.00 H new ATOM 0 HE2 LYS A 59 5.697 2.010 17.921 1.00 0.00 H new ATOM 0 HE3 LYS A 59 6.178 2.069 16.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 7.636 3.395 17.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 6.798 4.392 16.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 6.331 4.335 18.155 1.00 0.00 H new ATOM 997 N ALA A 60 4.986 1.315 12.200 1.00 0.00 N ATOM 998 CA ALA A 60 6.108 1.603 11.316 1.00 0.00 C ATOM 999 C ALA A 60 5.634 2.366 10.077 1.00 0.00 C ATOM 1000 O ALA A 60 6.115 2.141 8.965 1.00 0.00 O ATOM 1001 CB ALA A 60 6.790 0.304 10.915 1.00 0.00 C ATOM 0 H ALA A 60 4.539 0.415 12.026 1.00 0.00 H new ATOM 0 HA ALA A 60 6.825 2.231 11.846 1.00 0.00 H new ATOM 0 HB1 ALA A 60 7.629 0.522 10.254 1.00 0.00 H new ATOM 0 HB2 ALA A 60 7.154 -0.206 11.807 1.00 0.00 H new ATOM 0 HB3 ALA A 60 6.077 -0.337 10.397 1.00 0.00 H new ATOM 1007 N LEU A 61 4.720 3.313 10.292 1.00 0.00 N ATOM 1008 CA LEU A 61 4.057 4.025 9.198 1.00 0.00 C ATOM 1009 C LEU A 61 4.945 5.095 8.580 1.00 0.00 C ATOM 1010 O LEU A 61 4.519 5.868 7.720 1.00 0.00 O ATOM 1011 CB LEU A 61 2.738 4.629 9.694 1.00 0.00 C ATOM 1012 CG LEU A 61 2.831 5.555 10.919 1.00 0.00 C ATOM 1013 CD1 LEU A 61 3.169 6.983 10.514 1.00 0.00 C ATOM 1014 CD2 LEU A 61 1.532 5.521 11.709 1.00 0.00 C ATOM 0 H LEU A 61 4.420 3.607 11.222 1.00 0.00 H new ATOM 0 HA LEU A 61 3.848 3.301 8.410 1.00 0.00 H new ATOM 0 HB2 LEU A 61 2.289 5.190 8.874 1.00 0.00 H new ATOM 0 HB3 LEU A 61 2.056 3.813 9.933 1.00 0.00 H new ATOM 0 HG LEU A 61 3.639 5.189 11.552 1.00 0.00 H new ATOM 0 HD11 LEU A 61 3.227 7.610 11.404 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.129 6.997 9.997 1.00 0.00 H new ATOM 0 HD13 LEU A 61 2.394 7.366 9.850 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.614 6.181 12.572 1.00 0.00 H new ATOM 0 HD22 LEU A 61 0.711 5.854 11.074 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.339 4.503 12.048 1.00 0.00 H new ATOM 1026 N GLU A 62 6.181 5.109 9.005 1.00 0.00 N ATOM 1027 CA GLU A 62 7.158 6.061 8.500 1.00 0.00 C ATOM 1028 C GLU A 62 8.353 5.333 7.915 1.00 0.00 C ATOM 1029 O GLU A 62 9.515 5.645 8.197 1.00 0.00 O ATOM 1030 CB GLU A 62 7.596 7.015 9.587 1.00 0.00 C ATOM 1031 CG GLU A 62 6.471 7.922 10.065 1.00 0.00 C ATOM 1032 CD GLU A 62 6.935 9.034 10.981 1.00 0.00 C ATOM 1033 OE1 GLU A 62 7.177 8.774 12.175 1.00 0.00 O ATOM 1034 OE2 GLU A 62 7.032 10.189 10.512 1.00 0.00 O ATOM 0 H GLU A 62 6.546 4.467 9.708 1.00 0.00 H new ATOM 0 HA GLU A 62 6.687 6.645 7.710 1.00 0.00 H new ATOM 0 HB2 GLU A 62 7.980 6.444 10.432 1.00 0.00 H new ATOM 0 HB3 GLU A 62 8.418 7.628 9.217 1.00 0.00 H new ATOM 0 HG2 GLU A 62 5.976 8.360 9.198 1.00 0.00 H new ATOM 0 HG3 GLU A 62 5.727 7.320 10.587 1.00 0.00 H new ATOM 1041 N HIS A 63 8.020 4.348 7.109 1.00 0.00 N ATOM 1042 CA HIS A 63 8.969 3.541 6.335 1.00 0.00 C ATOM 1043 C HIS A 63 9.691 2.518 7.204 1.00 0.00 C ATOM 1044 O HIS A 63 9.575 1.315 6.972 1.00 0.00 O ATOM 1045 CB HIS A 63 9.989 4.405 5.584 1.00 0.00 C ATOM 1046 CG HIS A 63 9.387 5.313 4.553 1.00 0.00 C ATOM 1047 ND1 HIS A 63 8.382 4.928 3.688 1.00 0.00 N ATOM 1048 CD2 HIS A 63 9.660 6.603 4.250 1.00 0.00 C ATOM 1049 CE1 HIS A 63 8.070 5.942 2.903 1.00 0.00 C ATOM 1050 NE2 HIS A 63 8.833 6.971 3.220 1.00 0.00 N ATOM 0 H HIS A 63 7.050 4.069 6.962 1.00 0.00 H new ATOM 0 HA HIS A 63 8.372 3.004 5.597 1.00 0.00 H new ATOM 0 HB2 HIS A 63 10.539 5.008 6.306 1.00 0.00 H new ATOM 0 HB3 HIS A 63 10.713 3.752 5.098 1.00 0.00 H new ATOM 0 HD2 HIS A 63 10.396 7.229 4.732 1.00 0.00 H new ATOM 0 HE1 HIS A 63 7.316 5.931 2.130 1.00 0.00 H new ATOM 0 HE2 HIS A 63 8.811 7.888 2.773 1.00 0.00 H new ATOM 1059 N HIS A 64 10.449 2.989 8.182 1.00 0.00 N ATOM 1060 CA HIS A 64 11.174 2.088 9.069 1.00 0.00 C ATOM 1061 C HIS A 64 10.581 2.118 10.469 1.00 0.00 C ATOM 1062 O HIS A 64 9.733 1.295 10.793 1.00 0.00 O ATOM 1063 CB HIS A 64 12.671 2.414 9.097 1.00 0.00 C ATOM 1064 CG HIS A 64 13.418 1.884 7.908 1.00 0.00 C ATOM 1065 ND1 HIS A 64 14.604 1.186 8.006 1.00 0.00 N ATOM 1066 CD2 HIS A 64 13.140 1.958 6.584 1.00 0.00 C ATOM 1067 CE1 HIS A 64 15.017 0.855 6.796 1.00 0.00 C ATOM 1068 NE2 HIS A 64 14.146 1.310 5.918 1.00 0.00 N ATOM 0 H HIS A 64 10.579 3.981 8.382 1.00 0.00 H new ATOM 0 HA HIS A 64 11.068 1.077 8.676 1.00 0.00 H new ATOM 0 HB2 HIS A 64 12.799 3.495 9.145 1.00 0.00 H new ATOM 0 HB3 HIS A 64 13.109 2.001 10.006 1.00 0.00 H new ATOM 0 HD2 HIS A 64 12.283 2.439 6.136 1.00 0.00 H new ATOM 0 HE1 HIS A 64 15.917 0.304 6.565 1.00 0.00 H new ATOM 0 HE2 HIS A 64 14.211 1.198 4.906 1.00 0.00 H new ATOM 1077 N HIS A 65 11.011 3.064 11.295 1.00 0.00 N ATOM 1078 CA HIS A 65 10.466 3.188 12.645 1.00 0.00 C ATOM 1079 C HIS A 65 10.489 4.630 13.134 1.00 0.00 C ATOM 1080 O HIS A 65 9.439 5.256 13.276 1.00 0.00 O ATOM 1081 CB HIS A 65 11.222 2.293 13.637 1.00 0.00 C ATOM 1082 CG HIS A 65 10.735 0.877 13.674 1.00 0.00 C ATOM 1083 ND1 HIS A 65 11.412 -0.172 13.091 1.00 0.00 N ATOM 1084 CD2 HIS A 65 9.633 0.338 14.244 1.00 0.00 C ATOM 1085 CE1 HIS A 65 10.747 -1.292 13.300 1.00 0.00 C ATOM 1086 NE2 HIS A 65 9.665 -1.010 13.997 1.00 0.00 N ATOM 0 H HIS A 65 11.728 3.751 11.059 1.00 0.00 H new ATOM 0 HA HIS A 65 9.428 2.859 12.594 1.00 0.00 H new ATOM 0 HB2 HIS A 65 12.281 2.295 13.379 1.00 0.00 H new ATOM 0 HB3 HIS A 65 11.137 2.722 14.635 1.00 0.00 H new ATOM 0 HD2 HIS A 65 8.870 0.871 14.792 1.00 0.00 H new ATOM 0 HE1 HIS A 65 11.040 -2.274 12.958 1.00 0.00 H new ATOM 0 HE2 HIS A 65 8.965 -1.685 14.303 1.00 0.00 H new ATOM 1095 N HIS A 66 11.680 5.165 13.377 1.00 0.00 N ATOM 1096 CA HIS A 66 11.797 6.471 14.020 1.00 0.00 C ATOM 1097 C HIS A 66 11.616 7.622 13.035 1.00 0.00 C ATOM 1098 O HIS A 66 11.112 8.680 13.416 1.00 0.00 O ATOM 1099 CB HIS A 66 13.132 6.610 14.781 1.00 0.00 C ATOM 1100 CG HIS A 66 14.378 6.387 13.964 1.00 0.00 C ATOM 1101 ND1 HIS A 66 15.328 5.445 14.293 1.00 0.00 N ATOM 1102 CD2 HIS A 66 14.842 7.004 12.850 1.00 0.00 C ATOM 1103 CE1 HIS A 66 16.316 5.492 13.419 1.00 0.00 C ATOM 1104 NE2 HIS A 66 16.046 6.427 12.533 1.00 0.00 N ATOM 0 H HIS A 66 12.569 4.722 13.143 1.00 0.00 H new ATOM 0 HA HIS A 66 10.984 6.532 14.743 1.00 0.00 H new ATOM 0 HB2 HIS A 66 13.179 7.609 15.215 1.00 0.00 H new ATOM 0 HB3 HIS A 66 13.132 5.902 15.610 1.00 0.00 H new ATOM 0 HD2 HIS A 66 14.354 7.803 12.311 1.00 0.00 H new ATOM 0 HE1 HIS A 66 17.198 4.868 13.429 1.00 0.00 H new ATOM 0 HE2 HIS A 66 16.635 6.681 11.740 1.00 0.00 H new ATOM 1113 N HIS A 67 12.011 7.403 11.775 1.00 0.00 N ATOM 1114 CA HIS A 67 12.003 8.459 10.753 1.00 0.00 C ATOM 1115 C HIS A 67 13.031 9.538 11.108 1.00 0.00 C ATOM 1116 O HIS A 67 12.903 10.214 12.129 1.00 0.00 O ATOM 1117 CB HIS A 67 10.592 9.062 10.602 1.00 0.00 C ATOM 1118 CG HIS A 67 10.475 10.201 9.627 1.00 0.00 C ATOM 1119 ND1 HIS A 67 9.323 10.938 9.486 1.00 0.00 N ATOM 1120 CD2 HIS A 67 11.365 10.743 8.760 1.00 0.00 C ATOM 1121 CE1 HIS A 67 9.506 11.877 8.582 1.00 0.00 C ATOM 1122 NE2 HIS A 67 10.738 11.785 8.125 1.00 0.00 N ATOM 0 H HIS A 67 12.342 6.499 11.437 1.00 0.00 H new ATOM 0 HA HIS A 67 12.279 8.023 9.793 1.00 0.00 H new ATOM 0 HB2 HIS A 67 9.909 8.271 10.293 1.00 0.00 H new ATOM 0 HB3 HIS A 67 10.257 9.408 11.580 1.00 0.00 H new ATOM 0 HD1 HIS A 67 8.458 10.781 10.003 1.00 0.00 H new ATOM 0 HD2 HIS A 67 12.381 10.415 8.599 1.00 0.00 H new ATOM 0 HE1 HIS A 67 8.769 12.602 8.268 1.00 0.00 H new ATOM 1131 N HIS A 68 14.040 9.682 10.249 1.00 0.00 N ATOM 1132 CA HIS A 68 15.148 10.612 10.472 1.00 0.00 C ATOM 1133 C HIS A 68 16.066 10.076 11.563 1.00 0.00 C ATOM 1134 O HIS A 68 16.956 9.267 11.233 1.00 0.00 O ATOM 1135 CB HIS A 68 14.639 12.024 10.812 1.00 0.00 C ATOM 1136 CG HIS A 68 15.721 13.010 11.136 1.00 0.00 C ATOM 1137 ND1 HIS A 68 16.215 13.194 12.410 1.00 0.00 N ATOM 1138 CD2 HIS A 68 16.387 13.883 10.348 1.00 0.00 C ATOM 1139 CE1 HIS A 68 17.132 14.139 12.393 1.00 0.00 C ATOM 1140 NE2 HIS A 68 17.255 14.572 11.155 1.00 0.00 N ATOM 1141 OXT HIS A 68 15.882 10.438 12.741 1.00 0.00 O ATOM 0 H HIS A 68 14.113 9.157 9.378 1.00 0.00 H new ATOM 0 HA HIS A 68 15.719 10.694 9.547 1.00 0.00 H new ATOM 0 HB2 HIS A 68 14.061 12.402 9.969 1.00 0.00 H new ATOM 0 HB3 HIS A 68 13.959 11.957 11.661 1.00 0.00 H new ATOM 0 HD1 HIS A 68 15.916 12.678 13.238 1.00 0.00 H new ATOM 0 HD2 HIS A 68 16.259 14.013 9.283 1.00 0.00 H new ATOM 0 HE1 HIS A 68 17.688 14.497 13.247 1.00 0.00 H new TER 1150 HIS A 68