USER MOD reduce.3.24.130724 H: found=0, std=0, add=614, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 614 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 29 SER OG : rot -66:sc= 1.26 USER MOD Set 1.2: A 30 HIS : no HE2:sc= -1.01 K(o=0.25,f=-11!) USER MOD Set 2.1: A 28 TYR OH : rot -124:sc= 1.06 USER MOD Set 2.2: A 32 LYS NZ :NH3+ -122:sc= 1.96 (180deg=-2.15!) USER MOD Single : A 7 LYS NZ :NH3+ -152:sc= 1.49 (180deg=0.206) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 HIS : no HE2:sc= 1.11 K(o=1.1,f=-3.8!) USER MOD Single : A 16 LYS NZ :NH3+ -122:sc= -3.05! (180deg=-5.01!) USER MOD Single : A 17 THR OG1 : rot -160:sc= -0.0974 USER MOD Single : A 18 LYS NZ :NH3+ -134:sc= 0.0275 (180deg=0) USER MOD Single : A 24 MET CE :methyl -163:sc= -0.392 (180deg=-1.14) USER MOD Single : A 31 TYR OH : rot -15:sc= 0.857 USER MOD Single : A 33 GLN : amide:sc= -2.34 K(o=-2.3,f=-7.1!) USER MOD Single : A 35 THR OG1 : rot -92:sc= -0.219! USER MOD Single : A 40 ASN : amide:sc= -0.783 X(o=-0.78,f=-0.34) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.462! USER MOD Single : A 52 LYS NZ :NH3+ -138:sc= -1.63 (180deg=-4.1!) USER MOD Single : A 54 LYS NZ :NH3+ 175:sc= -0.921! (180deg=-1.16!) USER MOD Single : A 59 ASN :FLIP amide:sc= -4.03! C(o=-5.8!,f=-4!) USER MOD Single : A 62 LYS NZ :NH3+ -134:sc= 2.02 (180deg=0.712) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -138:sc= -1.04! (180deg=-5.19!) USER MOD Single : A 70 MET CE :methyl -158:sc= -0.46 (180deg=-0.939) USER MOD Single : A 71 LYS NZ :NH3+ -96:sc= -1.88! (180deg=-6.25!) USER MOD Single : A 73 TYR OH : rot 76:sc= 0.41 USER MOD Single : A 76 LYS NZ :NH3+ -135:sc= -0.0409 (180deg=-2.91!) USER MOD Single : A 81 LYS NZ :NH3+ -116:sc= 1.1 (180deg=-0.0929) USER MOD Single : A 82 LYS NZ :NH3+ -124:sc= -1.57! (180deg=-8.87!) USER MOD Single : A 83 LYS NZ :NH3+ -137:sc= -4.27! (180deg=-8.11!) USER MOD Single : A 84 TYR OH : rot 110:sc= 2.04 USER MOD ----------------------------------------------------------------- ATOM 41 N GLU A 4 8.656 6.993 -0.663 1.00 0.23 N ATOM 42 CA GLU A 4 8.176 7.687 0.556 1.00 0.26 C ATOM 43 C GLU A 4 8.152 9.151 0.172 1.00 0.29 C ATOM 44 O GLU A 4 7.924 10.001 0.988 1.00 0.30 O ATOM 45 CB GLU A 4 9.069 7.438 1.780 1.00 0.20 C ATOM 46 CG GLU A 4 10.542 7.852 1.561 1.00 0.33 C ATOM 47 CD GLU A 4 11.412 6.733 0.954 1.00 0.99 C ATOM 48 OE1 GLU A 4 11.214 6.407 -0.206 1.00 2.27 O ATOM 49 OE2 GLU A 4 12.244 6.263 1.712 1.00 1.09 O ATOM 0 HA GLU A 4 7.198 7.317 0.863 1.00 0.26 H new ATOM 0 HB2 GLU A 4 8.668 7.988 2.631 1.00 0.20 H new ATOM 0 HB3 GLU A 4 9.032 6.380 2.038 1.00 0.20 H new ATOM 0 HG2 GLU A 4 10.573 8.722 0.905 1.00 0.33 H new ATOM 0 HG3 GLU A 4 10.971 8.157 2.515 1.00 0.33 H new ATOM 56 N PHE A 5 8.405 9.429 -1.066 1.00 0.28 N ATOM 57 CA PHE A 5 8.410 10.825 -1.556 1.00 0.25 C ATOM 58 C PHE A 5 7.287 11.690 -0.982 1.00 0.21 C ATOM 59 O PHE A 5 7.557 12.664 -0.309 1.00 0.23 O ATOM 60 CB PHE A 5 8.294 10.676 -3.031 1.00 0.27 C ATOM 61 CG PHE A 5 7.996 12.003 -3.727 1.00 0.28 C ATOM 62 CD1 PHE A 5 9.035 12.801 -4.098 1.00 1.25 C ATOM 63 CD2 PHE A 5 6.711 12.412 -3.991 1.00 1.70 C ATOM 64 CE1 PHE A 5 8.841 14.002 -4.732 1.00 1.32 C ATOM 65 CE2 PHE A 5 6.479 13.608 -4.620 1.00 1.67 C ATOM 66 CZ PHE A 5 7.542 14.402 -4.991 1.00 0.22 C ATOM 0 H PHE A 5 8.614 8.729 -1.778 1.00 0.28 H new ATOM 0 HA PHE A 5 9.310 11.353 -1.241 1.00 0.25 H new ATOM 0 HB2 PHE A 5 9.222 10.262 -3.426 1.00 0.27 H new ATOM 0 HB3 PHE A 5 7.503 9.962 -3.261 1.00 0.27 H new ATOM 0 HD1 PHE A 5 10.044 12.478 -3.886 1.00 1.25 H new ATOM 0 HD2 PHE A 5 5.879 11.788 -3.701 1.00 1.70 H new ATOM 0 HE1 PHE A 5 9.679 14.618 -5.021 1.00 1.32 H new ATOM 0 HE2 PHE A 5 5.467 13.926 -4.824 1.00 1.67 H new ATOM 0 HZ PHE A 5 7.360 15.344 -5.488 1.00 0.22 H new ATOM 76 N ASP A 6 6.067 11.312 -1.241 1.00 0.24 N ATOM 77 CA ASP A 6 4.952 12.126 -0.709 1.00 0.18 C ATOM 78 C ASP A 6 5.012 12.132 0.826 1.00 0.22 C ATOM 79 O ASP A 6 4.533 13.027 1.495 1.00 0.31 O ATOM 80 CB ASP A 6 3.685 11.751 -1.439 1.00 0.34 C ATOM 81 CG ASP A 6 3.471 12.705 -2.631 1.00 0.62 C ATOM 82 OD1 ASP A 6 3.381 13.913 -2.441 1.00 1.48 O ATOM 83 OD2 ASP A 6 3.416 12.162 -3.711 1.00 0.63 O ATOM 0 H ASP A 6 5.801 10.492 -1.786 1.00 0.24 H new ATOM 0 HA ASP A 6 5.015 13.194 -0.919 1.00 0.18 H new ATOM 0 HB2 ASP A 6 3.748 10.721 -1.791 1.00 0.34 H new ATOM 0 HB3 ASP A 6 2.834 11.804 -0.761 1.00 0.34 H new ATOM 88 N LYS A 7 5.646 11.116 1.343 1.00 0.22 N ATOM 89 CA LYS A 7 5.774 11.029 2.826 1.00 0.29 C ATOM 90 C LYS A 7 6.780 12.130 3.214 1.00 0.27 C ATOM 91 O LYS A 7 6.611 12.850 4.179 1.00 0.37 O ATOM 92 CB LYS A 7 6.170 9.615 3.273 1.00 0.44 C ATOM 93 CG LYS A 7 5.108 8.972 4.207 1.00 1.49 C ATOM 94 CD LYS A 7 5.267 9.337 5.723 1.00 0.97 C ATOM 95 CE LYS A 7 5.146 10.833 5.969 1.00 1.43 C ATOM 96 NZ LYS A 7 4.865 11.037 7.423 1.00 1.89 N ATOM 0 H LYS A 7 6.074 10.355 0.815 1.00 0.22 H new ATOM 0 HA LYS A 7 4.830 11.199 3.343 1.00 0.29 H new ATOM 0 HB2 LYS A 7 6.308 8.984 2.395 1.00 0.44 H new ATOM 0 HB3 LYS A 7 7.129 9.655 3.790 1.00 0.44 H new ATOM 0 HG2 LYS A 7 4.117 9.280 3.875 1.00 1.49 H new ATOM 0 HG3 LYS A 7 5.158 7.888 4.100 1.00 1.49 H new ATOM 0 HD2 LYS A 7 4.508 8.812 6.303 1.00 0.97 H new ATOM 0 HD3 LYS A 7 6.237 8.989 6.079 1.00 0.97 H new ATOM 0 HE2 LYS A 7 6.066 11.343 5.683 1.00 1.43 H new ATOM 0 HE3 LYS A 7 4.345 11.256 5.362 1.00 1.43 H new ATOM 0 HZ1 LYS A 7 4.328 11.918 7.552 1.00 1.89 H new ATOM 0 HZ2 LYS A 7 4.309 10.236 7.785 1.00 1.89 H new ATOM 0 HZ3 LYS A 7 5.763 11.099 7.945 1.00 1.89 H new ATOM 110 N ALA A 8 7.807 12.224 2.415 1.00 0.20 N ATOM 111 CA ALA A 8 8.860 13.246 2.648 1.00 0.21 C ATOM 112 C ALA A 8 8.102 14.561 2.580 1.00 0.29 C ATOM 113 O ALA A 8 8.108 15.342 3.502 1.00 0.39 O ATOM 114 CB ALA A 8 9.942 13.066 1.586 1.00 0.15 C ATOM 0 H ALA A 8 7.961 11.628 1.602 1.00 0.20 H new ATOM 0 HA ALA A 8 9.389 13.183 3.599 1.00 0.21 H new ATOM 0 HB1 ALA A 8 10.727 13.807 1.737 1.00 0.15 H new ATOM 0 HB2 ALA A 8 10.367 12.065 1.666 1.00 0.15 H new ATOM 0 HB3 ALA A 8 9.505 13.197 0.596 1.00 0.15 H new ATOM 120 N ALA A 9 7.445 14.771 1.486 1.00 0.24 N ATOM 121 CA ALA A 9 6.648 16.019 1.285 1.00 0.29 C ATOM 122 C ALA A 9 5.783 16.305 2.548 1.00 0.36 C ATOM 123 O ALA A 9 5.739 17.402 3.070 1.00 0.45 O ATOM 124 CB ALA A 9 5.772 15.760 0.049 1.00 0.26 C ATOM 0 H ALA A 9 7.421 14.121 0.700 1.00 0.24 H new ATOM 0 HA ALA A 9 7.280 16.894 1.134 1.00 0.29 H new ATOM 0 HB1 ALA A 9 5.160 16.639 -0.154 1.00 0.26 H new ATOM 0 HB2 ALA A 9 6.409 15.554 -0.811 1.00 0.26 H new ATOM 0 HB3 ALA A 9 5.125 14.903 0.235 1.00 0.26 H new ATOM 130 N GLU A 10 5.129 15.267 2.993 1.00 0.37 N ATOM 131 CA GLU A 10 4.239 15.335 4.196 1.00 0.46 C ATOM 132 C GLU A 10 5.006 15.832 5.440 1.00 0.45 C ATOM 133 O GLU A 10 4.520 16.658 6.188 1.00 0.58 O ATOM 134 CB GLU A 10 3.723 13.900 4.452 1.00 0.52 C ATOM 135 CG GLU A 10 2.532 13.896 5.457 1.00 0.87 C ATOM 136 CD GLU A 10 2.365 12.539 6.140 1.00 1.40 C ATOM 137 OE1 GLU A 10 2.110 11.569 5.452 1.00 1.51 O ATOM 138 OE2 GLU A 10 2.517 12.548 7.349 1.00 2.29 O ATOM 0 H GLU A 10 5.174 14.344 2.561 1.00 0.37 H new ATOM 0 HA GLU A 10 3.424 16.036 4.015 1.00 0.46 H new ATOM 0 HB2 GLU A 10 3.408 13.451 3.510 1.00 0.52 H new ATOM 0 HB3 GLU A 10 4.533 13.284 4.843 1.00 0.52 H new ATOM 0 HG2 GLU A 10 2.692 14.665 6.213 1.00 0.87 H new ATOM 0 HG3 GLU A 10 1.613 14.153 4.931 1.00 0.87 H new ATOM 145 N GLU A 11 6.195 15.329 5.631 1.00 0.32 N ATOM 146 CA GLU A 11 7.054 15.706 6.797 1.00 0.29 C ATOM 147 C GLU A 11 7.788 17.025 6.635 1.00 0.26 C ATOM 148 O GLU A 11 7.875 17.861 7.518 1.00 0.38 O ATOM 149 CB GLU A 11 7.983 14.523 7.001 1.00 0.40 C ATOM 150 CG GLU A 11 7.205 13.293 7.593 1.00 0.45 C ATOM 151 CD GLU A 11 8.039 12.010 7.839 1.00 0.78 C ATOM 152 OE1 GLU A 11 9.246 11.990 7.659 1.00 0.72 O ATOM 153 OE2 GLU A 11 7.331 11.093 8.229 1.00 2.06 O ATOM 0 H GLU A 11 6.624 14.647 5.005 1.00 0.32 H new ATOM 0 HA GLU A 11 6.442 15.897 7.679 1.00 0.29 H new ATOM 0 HB2 GLU A 11 8.439 14.246 6.051 1.00 0.40 H new ATOM 0 HB3 GLU A 11 8.793 14.804 7.674 1.00 0.40 H new ATOM 0 HG2 GLU A 11 6.754 13.595 8.538 1.00 0.45 H new ATOM 0 HG3 GLU A 11 6.388 13.046 6.915 1.00 0.45 H new ATOM 160 N VAL A 12 8.310 17.208 5.475 1.00 0.21 N ATOM 161 CA VAL A 12 9.051 18.439 5.168 1.00 0.19 C ATOM 162 C VAL A 12 8.099 19.627 5.397 1.00 0.26 C ATOM 163 O VAL A 12 8.478 20.664 5.905 1.00 0.17 O ATOM 164 CB VAL A 12 9.561 18.220 3.760 1.00 0.29 C ATOM 165 CG1 VAL A 12 8.751 18.907 2.701 1.00 0.33 C ATOM 166 CG2 VAL A 12 11.011 18.531 3.699 1.00 0.35 C ATOM 0 H VAL A 12 8.253 16.540 4.706 1.00 0.21 H new ATOM 0 HA VAL A 12 9.912 18.670 5.795 1.00 0.19 H new ATOM 0 HB VAL A 12 9.431 17.164 3.522 1.00 0.29 H new ATOM 0 HG11 VAL A 12 9.182 18.700 1.722 1.00 0.33 H new ATOM 0 HG12 VAL A 12 7.726 18.539 2.731 1.00 0.33 H new ATOM 0 HG13 VAL A 12 8.756 19.982 2.880 1.00 0.33 H new ATOM 0 HG21 VAL A 12 11.375 18.372 2.684 1.00 0.35 H new ATOM 0 HG22 VAL A 12 11.172 19.571 3.984 1.00 0.35 H new ATOM 0 HG23 VAL A 12 11.552 17.879 4.384 1.00 0.35 H new ATOM 176 N LYS A 13 6.869 19.443 4.996 1.00 0.44 N ATOM 177 CA LYS A 13 5.849 20.509 5.179 1.00 0.55 C ATOM 178 C LYS A 13 5.523 20.813 6.672 1.00 0.60 C ATOM 179 O LYS A 13 4.750 21.710 6.951 1.00 0.73 O ATOM 180 CB LYS A 13 4.555 20.078 4.449 1.00 0.70 C ATOM 181 CG LYS A 13 4.692 20.351 2.936 1.00 0.25 C ATOM 182 CD LYS A 13 3.266 20.300 2.300 1.00 0.79 C ATOM 183 CE LYS A 13 2.768 18.854 2.128 1.00 1.47 C ATOM 184 NZ LYS A 13 3.127 18.404 0.742 1.00 1.48 N ATOM 0 H LYS A 13 6.528 18.593 4.547 1.00 0.44 H new ATOM 0 HA LYS A 13 6.262 21.428 4.762 1.00 0.55 H new ATOM 0 HB2 LYS A 13 4.365 19.018 4.621 1.00 0.70 H new ATOM 0 HB3 LYS A 13 3.701 20.624 4.850 1.00 0.70 H new ATOM 0 HG2 LYS A 13 5.150 21.325 2.765 1.00 0.25 H new ATOM 0 HG3 LYS A 13 5.342 19.608 2.473 1.00 0.25 H new ATOM 0 HD2 LYS A 13 2.568 20.852 2.929 1.00 0.79 H new ATOM 0 HD3 LYS A 13 3.283 20.796 1.330 1.00 0.79 H new ATOM 0 HE2 LYS A 13 3.226 18.202 2.871 1.00 1.47 H new ATOM 0 HE3 LYS A 13 1.690 18.801 2.279 1.00 1.47 H new ATOM 0 HZ1 LYS A 13 2.801 17.427 0.599 1.00 1.48 H new ATOM 0 HZ2 LYS A 13 2.670 19.027 0.046 1.00 1.48 H new ATOM 0 HZ3 LYS A 13 4.159 18.446 0.620 1.00 1.48 H new ATOM 198 N HIS A 14 6.111 20.067 7.568 1.00 0.53 N ATOM 199 CA HIS A 14 5.888 20.251 9.046 1.00 0.63 C ATOM 200 C HIS A 14 7.076 20.677 9.870 1.00 0.57 C ATOM 201 O HIS A 14 6.900 21.359 10.859 1.00 0.65 O ATOM 202 CB HIS A 14 5.610 18.887 9.708 1.00 0.76 C ATOM 203 CG HIS A 14 4.153 18.537 9.496 1.00 0.43 C ATOM 204 ND1 HIS A 14 3.693 17.859 8.505 1.00 0.77 N ATOM 205 CD2 HIS A 14 3.043 18.845 10.260 1.00 0.54 C ATOM 206 CE1 HIS A 14 2.404 17.744 8.626 1.00 1.25 C ATOM 207 NE2 HIS A 14 1.961 18.343 9.701 1.00 1.06 N ATOM 0 H HIS A 14 6.758 19.313 7.337 1.00 0.53 H new ATOM 0 HA HIS A 14 5.101 21.005 9.051 1.00 0.63 H new ATOM 0 HB2 HIS A 14 6.251 18.119 9.275 1.00 0.76 H new ATOM 0 HB3 HIS A 14 5.838 18.930 10.773 1.00 0.76 H new ATOM 0 HD1 HIS A 14 4.251 17.472 7.744 1.00 0.77 H new ATOM 0 HD2 HIS A 14 3.060 19.413 11.179 1.00 0.54 H new ATOM 0 HE1 HIS A 14 1.775 17.217 7.924 1.00 1.25 H new ATOM 215 N LEU A 15 8.222 20.242 9.426 1.00 0.45 N ATOM 216 CA LEU A 15 9.488 20.545 10.122 1.00 0.44 C ATOM 217 C LEU A 15 9.522 21.634 11.196 1.00 0.54 C ATOM 218 O LEU A 15 9.050 22.741 11.048 1.00 0.48 O ATOM 219 CB LEU A 15 10.471 20.906 9.046 1.00 0.21 C ATOM 220 CG LEU A 15 10.704 19.733 8.112 1.00 0.28 C ATOM 221 CD1 LEU A 15 11.532 20.222 7.010 1.00 0.38 C ATOM 222 CD2 LEU A 15 11.391 18.569 8.774 1.00 0.66 C ATOM 0 H LEU A 15 8.329 19.674 8.586 1.00 0.45 H new ATOM 0 HA LEU A 15 9.705 19.650 10.705 1.00 0.44 H new ATOM 0 HB2 LEU A 15 10.099 21.759 8.479 1.00 0.21 H new ATOM 0 HB3 LEU A 15 11.415 21.210 9.497 1.00 0.21 H new ATOM 0 HG LEU A 15 9.736 19.361 7.776 1.00 0.28 H new ATOM 0 HD11 LEU A 15 11.725 19.408 6.311 1.00 0.38 H new ATOM 0 HD12 LEU A 15 11.011 21.028 6.493 1.00 0.38 H new ATOM 0 HD13 LEU A 15 12.478 20.595 7.403 1.00 0.38 H new ATOM 0 HD21 LEU A 15 11.526 17.766 8.049 1.00 0.66 H new ATOM 0 HD22 LEU A 15 12.364 18.886 9.149 1.00 0.66 H new ATOM 0 HD23 LEU A 15 10.781 18.210 9.603 1.00 0.66 H new ATOM 234 N LYS A 16 10.113 21.194 12.275 1.00 0.88 N ATOM 235 CA LYS A 16 10.357 21.976 13.550 1.00 1.12 C ATOM 236 C LYS A 16 10.414 23.470 13.265 1.00 0.61 C ATOM 237 O LYS A 16 9.895 24.300 13.982 1.00 0.72 O ATOM 238 CB LYS A 16 11.734 21.559 14.129 1.00 1.59 C ATOM 239 CG LYS A 16 12.019 22.321 15.459 1.00 1.95 C ATOM 240 CD LYS A 16 13.493 22.134 15.956 1.00 3.05 C ATOM 241 CE LYS A 16 13.717 20.768 16.609 1.00 2.87 C ATOM 242 NZ LYS A 16 13.739 19.735 15.545 1.00 3.07 N ATOM 0 H LYS A 16 10.470 20.240 12.335 1.00 0.88 H new ATOM 0 HA LYS A 16 9.545 21.767 14.246 1.00 1.12 H new ATOM 0 HB2 LYS A 16 11.750 20.484 14.308 1.00 1.59 H new ATOM 0 HB3 LYS A 16 12.520 21.773 13.405 1.00 1.59 H new ATOM 0 HG2 LYS A 16 11.820 23.383 15.315 1.00 1.95 H new ATOM 0 HG3 LYS A 16 11.332 21.970 16.229 1.00 1.95 H new ATOM 0 HD2 LYS A 16 14.175 22.248 15.114 1.00 3.05 H new ATOM 0 HD3 LYS A 16 13.735 22.920 16.671 1.00 3.05 H new ATOM 0 HE2 LYS A 16 14.656 20.762 17.162 1.00 2.87 H new ATOM 0 HE3 LYS A 16 12.924 20.556 17.326 1.00 2.87 H new ATOM 0 HZ1 LYS A 16 13.000 19.028 15.732 1.00 3.07 H new ATOM 0 HZ2 LYS A 16 13.564 20.183 14.623 1.00 3.07 H new ATOM 0 HZ3 LYS A 16 14.669 19.269 15.533 1.00 3.07 H new ATOM 256 N THR A 17 11.088 23.714 12.186 1.00 0.21 N ATOM 257 CA THR A 17 11.289 25.101 11.683 1.00 0.36 C ATOM 258 C THR A 17 10.696 25.120 10.290 1.00 0.62 C ATOM 259 O THR A 17 10.746 24.144 9.564 1.00 0.46 O ATOM 260 CB THR A 17 12.752 25.389 11.377 1.00 0.85 C ATOM 261 OG1 THR A 17 13.529 24.731 12.354 1.00 0.92 O ATOM 262 CG2 THR A 17 13.151 26.810 11.640 1.00 1.18 C ATOM 0 H THR A 17 11.522 22.992 11.612 1.00 0.21 H new ATOM 0 HA THR A 17 10.879 25.789 12.422 1.00 0.36 H new ATOM 0 HB THR A 17 12.893 25.104 10.334 1.00 0.85 H new ATOM 0 HG1 THR A 17 14.421 25.135 12.389 1.00 0.92 H new ATOM 0 HG21 THR A 17 14.206 26.942 11.400 1.00 1.18 H new ATOM 0 HG22 THR A 17 12.552 27.477 11.020 1.00 1.18 H new ATOM 0 HG23 THR A 17 12.986 27.046 12.691 1.00 1.18 H new ATOM 270 N LYS A 18 10.186 26.260 9.946 1.00 1.37 N ATOM 271 CA LYS A 18 9.568 26.444 8.603 1.00 1.72 C ATOM 272 C LYS A 18 10.811 26.449 7.671 1.00 1.65 C ATOM 273 O LYS A 18 11.583 27.382 7.762 1.00 1.73 O ATOM 274 CB LYS A 18 8.761 27.792 8.705 1.00 2.10 C ATOM 275 CG LYS A 18 8.871 28.673 7.453 1.00 1.62 C ATOM 276 CD LYS A 18 8.360 27.911 6.224 1.00 2.78 C ATOM 277 CE LYS A 18 8.655 28.758 5.022 1.00 3.35 C ATOM 278 NZ LYS A 18 8.362 27.942 3.807 1.00 4.73 N ATOM 0 H LYS A 18 10.168 27.087 10.543 1.00 1.37 H new ATOM 0 HA LYS A 18 8.860 25.702 8.234 1.00 1.72 H new ATOM 0 HB2 LYS A 18 7.711 27.564 8.887 1.00 2.10 H new ATOM 0 HB3 LYS A 18 9.119 28.355 9.567 1.00 2.10 H new ATOM 0 HG2 LYS A 18 8.293 29.587 7.590 1.00 1.62 H new ATOM 0 HG3 LYS A 18 9.908 28.972 7.300 1.00 1.62 H new ATOM 0 HD2 LYS A 18 8.851 26.941 6.141 1.00 2.78 H new ATOM 0 HD3 LYS A 18 7.290 27.720 6.307 1.00 2.78 H new ATOM 0 HE2 LYS A 18 8.045 29.661 5.032 1.00 3.35 H new ATOM 0 HE3 LYS A 18 9.697 29.077 5.026 1.00 3.35 H new ATOM 0 HZ1 LYS A 18 9.142 28.040 3.126 1.00 4.73 H new ATOM 0 HZ2 LYS A 18 8.261 26.943 4.076 1.00 4.73 H new ATOM 0 HZ3 LYS A 18 7.478 28.274 3.371 1.00 4.73 H new ATOM 292 N PRO A 19 11.009 25.453 6.821 1.00 1.52 N ATOM 293 CA PRO A 19 12.204 25.429 5.921 1.00 1.46 C ATOM 294 C PRO A 19 12.548 26.720 5.180 1.00 1.56 C ATOM 295 O PRO A 19 11.675 27.368 4.624 1.00 1.64 O ATOM 296 CB PRO A 19 11.900 24.331 4.947 1.00 1.30 C ATOM 297 CG PRO A 19 11.118 23.335 5.828 1.00 1.17 C ATOM 298 CD PRO A 19 10.150 24.248 6.609 1.00 1.44 C ATOM 0 HA PRO A 19 13.094 25.282 6.533 1.00 1.46 H new ATOM 0 HB2 PRO A 19 11.306 24.685 4.104 1.00 1.30 H new ATOM 0 HB3 PRO A 19 12.806 23.888 4.535 1.00 1.30 H new ATOM 0 HG2 PRO A 19 10.583 22.599 5.228 1.00 1.17 H new ATOM 0 HG3 PRO A 19 11.779 22.782 6.496 1.00 1.17 H new ATOM 0 HD2 PRO A 19 9.249 24.478 6.040 1.00 1.44 H new ATOM 0 HD3 PRO A 19 9.828 23.800 7.549 1.00 1.44 H new ATOM 306 N ALA A 20 13.815 27.039 5.190 1.00 1.59 N ATOM 307 CA ALA A 20 14.304 28.277 4.502 1.00 1.62 C ATOM 308 C ALA A 20 14.149 28.144 2.990 1.00 1.30 C ATOM 309 O ALA A 20 14.111 27.037 2.482 1.00 1.07 O ATOM 310 CB ALA A 20 15.820 28.425 4.786 1.00 1.74 C ATOM 0 H ALA A 20 14.542 26.491 5.650 1.00 1.59 H new ATOM 0 HA ALA A 20 13.730 29.130 4.865 1.00 1.62 H new ATOM 0 HB1 ALA A 20 16.197 29.321 4.293 1.00 1.74 H new ATOM 0 HB2 ALA A 20 15.983 28.506 5.861 1.00 1.74 H new ATOM 0 HB3 ALA A 20 16.349 27.552 4.404 1.00 1.74 H new ATOM 316 N ASP A 21 14.080 29.266 2.324 1.00 1.28 N ATOM 317 CA ASP A 21 13.928 29.245 0.848 1.00 0.99 C ATOM 318 C ASP A 21 14.802 28.157 0.193 1.00 0.85 C ATOM 319 O ASP A 21 14.252 27.223 -0.349 1.00 0.70 O ATOM 320 CB ASP A 21 14.234 30.654 0.298 1.00 0.94 C ATOM 321 CG ASP A 21 13.107 31.098 -0.626 1.00 1.42 C ATOM 322 OD1 ASP A 21 12.818 30.364 -1.549 1.00 1.94 O ATOM 323 OD2 ASP A 21 12.527 32.150 -0.422 1.00 1.85 O ATOM 0 H ASP A 21 14.123 30.195 2.743 1.00 1.28 H new ATOM 0 HA ASP A 21 12.901 28.983 0.595 1.00 0.99 H new ATOM 0 HB2 ASP A 21 14.343 31.361 1.121 1.00 0.94 H new ATOM 0 HB3 ASP A 21 15.180 30.647 -0.243 1.00 0.94 H new ATOM 328 N GLU A 22 16.109 28.275 0.264 1.00 0.93 N ATOM 329 CA GLU A 22 16.988 27.226 -0.375 1.00 0.89 C ATOM 330 C GLU A 22 16.592 25.826 0.161 1.00 0.94 C ATOM 331 O GLU A 22 16.318 24.938 -0.618 1.00 0.94 O ATOM 332 CB GLU A 22 18.489 27.531 -0.084 1.00 1.01 C ATOM 333 CG GLU A 22 19.012 28.744 -0.941 1.00 0.97 C ATOM 334 CD GLU A 22 20.492 29.038 -0.623 1.00 1.10 C ATOM 335 OE1 GLU A 22 21.296 28.161 -0.899 1.00 1.23 O ATOM 336 OE2 GLU A 22 20.746 30.122 -0.124 1.00 2.13 O ATOM 0 H GLU A 22 16.604 29.037 0.728 1.00 0.93 H new ATOM 0 HA GLU A 22 16.846 27.240 -1.456 1.00 0.89 H new ATOM 0 HB2 GLU A 22 18.617 27.752 0.976 1.00 1.01 H new ATOM 0 HB3 GLU A 22 19.089 26.647 -0.300 1.00 1.01 H new ATOM 0 HG2 GLU A 22 18.900 28.521 -2.002 1.00 0.97 H new ATOM 0 HG3 GLU A 22 18.408 29.628 -0.736 1.00 0.97 H new ATOM 343 N GLU A 23 16.564 25.616 1.452 1.00 1.00 N ATOM 344 CA GLU A 23 16.177 24.278 1.981 1.00 1.05 C ATOM 345 C GLU A 23 14.947 23.679 1.261 1.00 0.69 C ATOM 346 O GLU A 23 14.982 22.552 0.795 1.00 0.79 O ATOM 347 CB GLU A 23 15.907 24.453 3.464 1.00 1.31 C ATOM 348 CG GLU A 23 17.192 24.140 4.278 1.00 1.56 C ATOM 349 CD GLU A 23 18.191 25.279 4.268 1.00 1.59 C ATOM 350 OE1 GLU A 23 18.821 25.481 3.258 1.00 1.89 O ATOM 351 OE2 GLU A 23 18.289 25.890 5.313 1.00 2.43 O ATOM 0 H GLU A 23 16.792 26.314 2.160 1.00 1.00 H new ATOM 0 HA GLU A 23 16.986 23.569 1.804 1.00 1.05 H new ATOM 0 HB2 GLU A 23 15.579 25.473 3.664 1.00 1.31 H new ATOM 0 HB3 GLU A 23 15.099 23.791 3.776 1.00 1.31 H new ATOM 0 HG2 GLU A 23 16.917 23.914 5.308 1.00 1.56 H new ATOM 0 HG3 GLU A 23 17.664 23.246 3.871 1.00 1.56 H new ATOM 358 N MET A 24 13.885 24.452 1.186 1.00 0.51 N ATOM 359 CA MET A 24 12.643 23.981 0.512 1.00 0.37 C ATOM 360 C MET A 24 12.881 23.934 -1.000 1.00 0.23 C ATOM 361 O MET A 24 12.463 22.977 -1.609 1.00 0.39 O ATOM 362 CB MET A 24 11.464 24.880 0.925 1.00 0.86 C ATOM 363 CG MET A 24 11.618 26.339 0.500 1.00 1.57 C ATOM 364 SD MET A 24 10.168 27.403 0.698 1.00 2.01 S ATOM 365 CE MET A 24 9.472 27.074 -0.940 1.00 3.80 C ATOM 0 H MET A 24 13.832 25.396 1.568 1.00 0.51 H new ATOM 0 HA MET A 24 12.383 22.969 0.822 1.00 0.37 H new ATOM 0 HB2 MET A 24 10.547 24.481 0.492 1.00 0.86 H new ATOM 0 HB3 MET A 24 11.350 24.838 2.008 1.00 0.86 H new ATOM 0 HG2 MET A 24 12.439 26.774 1.070 1.00 1.57 H new ATOM 0 HG3 MET A 24 11.913 26.358 -0.549 1.00 1.57 H new ATOM 0 HE1 MET A 24 8.734 27.839 -1.182 1.00 3.80 H new ATOM 0 HE2 MET A 24 10.269 27.090 -1.684 1.00 3.80 H new ATOM 0 HE3 MET A 24 8.993 26.095 -0.942 1.00 3.80 H new ATOM 375 N LEU A 25 13.512 24.923 -1.588 1.00 0.33 N ATOM 376 CA LEU A 25 13.792 24.946 -3.036 1.00 0.29 C ATOM 377 C LEU A 25 14.045 23.565 -3.609 1.00 0.26 C ATOM 378 O LEU A 25 13.467 23.177 -4.598 1.00 0.17 O ATOM 379 CB LEU A 25 14.934 25.850 -3.204 1.00 0.34 C ATOM 380 CG LEU A 25 14.516 27.351 -3.133 1.00 0.32 C ATOM 381 CD1 LEU A 25 15.012 27.906 -4.330 1.00 0.27 C ATOM 382 CD2 LEU A 25 13.050 27.707 -3.083 1.00 0.30 C ATOM 0 H LEU A 25 13.854 25.745 -1.089 1.00 0.33 H new ATOM 0 HA LEU A 25 12.927 25.301 -3.596 1.00 0.29 H new ATOM 0 HB2 LEU A 25 15.674 25.644 -2.431 1.00 0.34 H new ATOM 0 HB3 LEU A 25 15.412 25.653 -4.164 1.00 0.34 H new ATOM 0 HG LEU A 25 14.904 27.718 -2.183 1.00 0.32 H new ATOM 0 HD11 LEU A 25 14.764 28.967 -4.369 1.00 0.27 H new ATOM 0 HD12 LEU A 25 16.095 27.785 -4.366 1.00 0.27 H new ATOM 0 HD13 LEU A 25 14.561 27.396 -5.182 1.00 0.27 H new ATOM 0 HD21 LEU A 25 12.940 28.790 -3.036 1.00 0.30 H new ATOM 0 HD22 LEU A 25 12.553 27.330 -3.977 1.00 0.30 H new ATOM 0 HD23 LEU A 25 12.596 27.258 -2.199 1.00 0.30 H new ATOM 394 N PHE A 26 14.923 22.871 -2.943 1.00 0.34 N ATOM 395 CA PHE A 26 15.275 21.481 -3.382 1.00 0.32 C ATOM 396 C PHE A 26 13.990 20.624 -3.486 1.00 0.28 C ATOM 397 O PHE A 26 13.566 20.200 -4.540 1.00 0.27 O ATOM 398 CB PHE A 26 16.205 20.860 -2.341 1.00 0.34 C ATOM 399 CG PHE A 26 16.451 19.452 -2.893 1.00 0.41 C ATOM 400 CD1 PHE A 26 17.311 19.210 -3.943 1.00 0.79 C ATOM 401 CD2 PHE A 26 15.725 18.424 -2.351 1.00 1.45 C ATOM 402 CE1 PHE A 26 17.432 17.931 -4.449 1.00 0.84 C ATOM 403 CE2 PHE A 26 15.839 17.152 -2.848 1.00 1.53 C ATOM 404 CZ PHE A 26 16.692 16.904 -3.898 1.00 0.68 C ATOM 0 H PHE A 26 15.416 23.201 -2.113 1.00 0.34 H new ATOM 0 HA PHE A 26 15.764 21.517 -4.355 1.00 0.32 H new ATOM 0 HB2 PHE A 26 17.133 21.423 -2.243 1.00 0.34 H new ATOM 0 HB3 PHE A 26 15.744 20.831 -1.354 1.00 0.34 H new ATOM 0 HD1 PHE A 26 17.888 20.018 -4.368 1.00 0.79 H new ATOM 0 HD2 PHE A 26 15.057 18.618 -1.525 1.00 1.45 H new ATOM 0 HE1 PHE A 26 18.103 17.735 -5.272 1.00 0.84 H new ATOM 0 HE2 PHE A 26 15.261 16.348 -2.417 1.00 1.53 H new ATOM 0 HZ PHE A 26 16.783 15.903 -4.293 1.00 0.68 H new ATOM 414 N ILE A 27 13.435 20.413 -2.328 1.00 0.30 N ATOM 415 CA ILE A 27 12.181 19.628 -2.161 1.00 0.30 C ATOM 416 C ILE A 27 11.214 20.106 -3.243 1.00 0.24 C ATOM 417 O ILE A 27 10.809 19.361 -4.093 1.00 0.25 O ATOM 418 CB ILE A 27 11.718 20.027 -0.736 1.00 0.35 C ATOM 419 CG1 ILE A 27 12.102 19.007 0.359 1.00 0.33 C ATOM 420 CG2 ILE A 27 10.176 20.212 -0.597 1.00 0.43 C ATOM 421 CD1 ILE A 27 13.504 18.411 0.236 1.00 0.32 C ATOM 0 H ILE A 27 13.817 20.769 -1.452 1.00 0.30 H new ATOM 0 HA ILE A 27 12.269 18.546 -2.258 1.00 0.30 H new ATOM 0 HB ILE A 27 12.241 20.973 -0.593 1.00 0.35 H new ATOM 0 HG12 ILE A 27 12.016 19.493 1.331 1.00 0.33 H new ATOM 0 HG13 ILE A 27 11.377 18.193 0.344 1.00 0.33 H new ATOM 0 HG21 ILE A 27 9.934 20.490 0.429 1.00 0.43 H new ATOM 0 HG22 ILE A 27 9.841 20.997 -1.275 1.00 0.43 H new ATOM 0 HG23 ILE A 27 9.673 19.278 -0.848 1.00 0.43 H new ATOM 0 HD11 ILE A 27 13.674 17.708 1.052 1.00 0.32 H new ATOM 0 HD12 ILE A 27 13.595 17.890 -0.717 1.00 0.32 H new ATOM 0 HD13 ILE A 27 14.244 19.209 0.285 1.00 0.32 H new ATOM 433 N TYR A 28 10.894 21.364 -3.178 1.00 0.19 N ATOM 434 CA TYR A 28 9.962 22.014 -4.143 1.00 0.15 C ATOM 435 C TYR A 28 10.231 21.707 -5.613 1.00 0.14 C ATOM 436 O TYR A 28 9.411 21.169 -6.318 1.00 0.18 O ATOM 437 CB TYR A 28 10.140 23.535 -3.970 1.00 0.12 C ATOM 438 CG TYR A 28 9.279 24.216 -5.041 1.00 0.14 C ATOM 439 CD1 TYR A 28 7.909 24.118 -4.927 1.00 1.46 C ATOM 440 CD2 TYR A 28 9.840 24.907 -6.105 1.00 1.17 C ATOM 441 CE1 TYR A 28 7.080 24.702 -5.856 1.00 1.50 C ATOM 442 CE2 TYR A 28 8.988 25.491 -7.040 1.00 1.11 C ATOM 443 CZ TYR A 28 7.609 25.388 -6.913 1.00 0.23 C ATOM 444 OH TYR A 28 6.729 25.940 -7.824 1.00 0.35 O ATOM 0 H TYR A 28 11.255 21.997 -2.465 1.00 0.19 H new ATOM 0 HA TYR A 28 8.965 21.634 -3.921 1.00 0.15 H new ATOM 0 HB2 TYR A 28 9.832 23.848 -2.972 1.00 0.12 H new ATOM 0 HB3 TYR A 28 11.187 23.815 -4.083 1.00 0.12 H new ATOM 0 HD1 TYR A 28 7.481 23.575 -4.097 1.00 1.46 H new ATOM 0 HD2 TYR A 28 10.912 24.990 -6.206 1.00 1.17 H new ATOM 0 HE1 TYR A 28 6.008 24.618 -5.750 1.00 1.50 H new ATOM 0 HE2 TYR A 28 9.406 26.032 -7.876 1.00 1.11 H new ATOM 0 HH TYR A 28 6.942 25.614 -8.723 1.00 0.35 H new ATOM 454 N SER A 29 11.404 22.098 -6.000 1.00 0.15 N ATOM 455 CA SER A 29 11.918 21.934 -7.375 1.00 0.15 C ATOM 456 C SER A 29 11.774 20.481 -7.832 1.00 0.11 C ATOM 457 O SER A 29 11.163 20.156 -8.836 1.00 0.13 O ATOM 458 CB SER A 29 13.405 22.362 -7.316 1.00 0.18 C ATOM 459 OG SER A 29 14.116 21.426 -6.529 1.00 0.18 O ATOM 0 H SER A 29 12.067 22.554 -5.374 1.00 0.15 H new ATOM 0 HA SER A 29 11.363 22.537 -8.094 1.00 0.15 H new ATOM 0 HB2 SER A 29 13.825 22.407 -8.321 1.00 0.18 H new ATOM 0 HB3 SER A 29 13.494 23.360 -6.888 1.00 0.18 H new ATOM 0 HG SER A 29 13.809 21.479 -5.600 1.00 0.18 H new ATOM 465 N HIS A 30 12.353 19.615 -7.050 1.00 0.14 N ATOM 466 CA HIS A 30 12.308 18.172 -7.354 1.00 0.10 C ATOM 467 C HIS A 30 10.884 17.660 -7.272 1.00 0.07 C ATOM 468 O HIS A 30 10.434 16.971 -8.158 1.00 0.06 O ATOM 469 CB HIS A 30 13.221 17.549 -6.318 1.00 0.14 C ATOM 470 CG HIS A 30 14.646 17.813 -6.767 1.00 0.20 C ATOM 471 ND1 HIS A 30 15.208 18.972 -6.904 1.00 0.96 N ATOM 472 CD2 HIS A 30 15.611 16.903 -7.124 1.00 0.57 C ATOM 473 CE1 HIS A 30 16.427 18.797 -7.316 1.00 0.76 C ATOM 474 NE2 HIS A 30 16.718 17.527 -7.465 1.00 0.22 N ATOM 0 H HIS A 30 12.862 19.857 -6.200 1.00 0.14 H new ATOM 0 HA HIS A 30 12.636 17.927 -8.364 1.00 0.10 H new ATOM 0 HB2 HIS A 30 13.040 17.982 -5.334 1.00 0.14 H new ATOM 0 HB3 HIS A 30 13.035 16.478 -6.234 1.00 0.14 H new ATOM 0 HD1 HIS A 30 14.766 19.873 -6.719 1.00 0.96 H new ATOM 0 HD2 HIS A 30 15.480 15.831 -7.125 1.00 0.57 H new ATOM 0 HE1 HIS A 30 17.119 19.602 -7.513 1.00 0.76 H new ATOM 482 N TYR A 31 10.228 18.022 -6.207 1.00 0.09 N ATOM 483 CA TYR A 31 8.811 17.631 -5.923 1.00 0.12 C ATOM 484 C TYR A 31 8.097 17.900 -7.207 1.00 0.09 C ATOM 485 O TYR A 31 7.619 17.007 -7.871 1.00 0.07 O ATOM 486 CB TYR A 31 8.129 18.547 -4.852 1.00 0.19 C ATOM 487 CG TYR A 31 6.770 17.975 -4.494 1.00 0.22 C ATOM 488 CD1 TYR A 31 6.615 16.897 -3.627 1.00 0.64 C ATOM 489 CD2 TYR A 31 5.664 18.563 -5.065 1.00 1.05 C ATOM 490 CE1 TYR A 31 5.359 16.424 -3.344 1.00 0.57 C ATOM 491 CE2 TYR A 31 4.404 18.079 -4.766 1.00 1.13 C ATOM 492 CZ TYR A 31 4.250 17.006 -3.903 1.00 0.39 C ATOM 493 OH TYR A 31 3.003 16.512 -3.595 1.00 0.49 O ATOM 0 H TYR A 31 10.638 18.607 -5.479 1.00 0.09 H new ATOM 0 HA TYR A 31 8.778 16.605 -5.558 1.00 0.12 H new ATOM 0 HB2 TYR A 31 8.754 18.613 -3.962 1.00 0.19 H new ATOM 0 HB3 TYR A 31 8.019 19.560 -5.240 1.00 0.19 H new ATOM 0 HD1 TYR A 31 7.482 16.434 -3.178 1.00 0.64 H new ATOM 0 HD2 TYR A 31 5.780 19.397 -5.742 1.00 1.05 H new ATOM 0 HE1 TYR A 31 5.242 15.585 -2.674 1.00 0.57 H new ATOM 0 HE2 TYR A 31 3.533 18.541 -5.208 1.00 1.13 H new ATOM 0 HH TYR A 31 3.094 15.629 -3.179 1.00 0.49 H new ATOM 503 N LYS A 32 8.048 19.162 -7.523 1.00 0.14 N ATOM 504 CA LYS A 32 7.386 19.581 -8.764 1.00 0.22 C ATOM 505 C LYS A 32 7.778 18.680 -9.914 1.00 0.18 C ATOM 506 O LYS A 32 6.893 18.277 -10.631 1.00 0.19 O ATOM 507 CB LYS A 32 7.707 20.995 -8.944 1.00 0.41 C ATOM 508 CG LYS A 32 7.005 21.871 -7.957 1.00 0.66 C ATOM 509 CD LYS A 32 5.493 21.684 -8.217 1.00 1.09 C ATOM 510 CE LYS A 32 4.722 22.828 -7.696 1.00 0.33 C ATOM 511 NZ LYS A 32 5.029 23.940 -8.606 1.00 2.24 N ATOM 0 H LYS A 32 8.444 19.918 -6.965 1.00 0.14 H new ATOM 0 HA LYS A 32 6.302 19.480 -8.720 1.00 0.22 H new ATOM 0 HB2 LYS A 32 8.784 21.135 -8.848 1.00 0.41 H new ATOM 0 HB3 LYS A 32 7.435 21.300 -9.954 1.00 0.41 H new ATOM 0 HG2 LYS A 32 7.262 21.591 -6.935 1.00 0.66 H new ATOM 0 HG3 LYS A 32 7.296 22.914 -8.085 1.00 0.66 H new ATOM 0 HD2 LYS A 32 5.315 21.578 -9.287 1.00 1.09 H new ATOM 0 HD3 LYS A 32 5.150 20.764 -7.744 1.00 1.09 H new ATOM 0 HE2 LYS A 32 3.654 22.611 -7.684 1.00 0.33 H new ATOM 0 HE3 LYS A 32 5.011 23.065 -6.672 1.00 0.33 H new ATOM 0 HZ1 LYS A 32 5.435 24.730 -8.065 1.00 2.24 H new ATOM 0 HZ2 LYS A 32 5.713 23.623 -9.322 1.00 2.24 H new ATOM 0 HZ3 LYS A 32 4.156 24.255 -9.076 1.00 2.24 H new ATOM 525 N GLN A 33 9.041 18.390 -10.081 1.00 0.19 N ATOM 526 CA GLN A 33 9.391 17.475 -11.227 1.00 0.23 C ATOM 527 C GLN A 33 8.691 16.129 -11.076 1.00 0.14 C ATOM 528 O GLN A 33 7.923 15.719 -11.924 1.00 0.19 O ATOM 529 CB GLN A 33 10.888 17.203 -11.275 1.00 0.42 C ATOM 530 CG GLN A 33 11.551 18.393 -11.905 1.00 0.22 C ATOM 531 CD GLN A 33 11.174 18.619 -13.377 1.00 0.43 C ATOM 532 OE1 GLN A 33 11.283 19.702 -13.888 1.00 1.86 O ATOM 533 NE2 GLN A 33 10.734 17.676 -14.145 1.00 0.70 N ATOM 0 H GLN A 33 9.818 18.723 -9.510 1.00 0.19 H new ATOM 0 HA GLN A 33 9.069 17.976 -12.140 1.00 0.23 H new ATOM 0 HB2 GLN A 33 11.278 17.035 -10.271 1.00 0.42 H new ATOM 0 HB3 GLN A 33 11.094 16.301 -11.852 1.00 0.42 H new ATOM 0 HG2 GLN A 33 11.291 19.284 -11.334 1.00 0.22 H new ATOM 0 HG3 GLN A 33 12.632 18.273 -11.833 1.00 0.22 H new ATOM 0 HE21 GLN A 33 10.617 16.732 -13.777 1.00 0.70 H new ATOM 0 HE22 GLN A 33 10.504 17.876 -15.118 1.00 0.70 H new ATOM 542 N ALA A 34 8.999 15.502 -9.984 1.00 0.16 N ATOM 543 CA ALA A 34 8.447 14.168 -9.603 1.00 0.21 C ATOM 544 C ALA A 34 6.930 14.084 -9.798 1.00 0.18 C ATOM 545 O ALA A 34 6.402 13.131 -10.332 1.00 0.33 O ATOM 546 CB ALA A 34 8.725 14.011 -8.116 1.00 0.30 C ATOM 0 H ALA A 34 9.650 15.880 -9.296 1.00 0.16 H new ATOM 0 HA ALA A 34 8.905 13.399 -10.225 1.00 0.21 H new ATOM 0 HB1 ALA A 34 8.343 13.049 -7.774 1.00 0.30 H new ATOM 0 HB2 ALA A 34 9.800 14.058 -7.940 1.00 0.30 H new ATOM 0 HB3 ALA A 34 8.232 14.813 -7.567 1.00 0.30 H new ATOM 552 N THR A 35 6.293 15.131 -9.360 1.00 0.14 N ATOM 553 CA THR A 35 4.799 15.311 -9.414 1.00 0.31 C ATOM 554 C THR A 35 4.225 15.891 -10.689 1.00 0.34 C ATOM 555 O THR A 35 3.566 15.209 -11.445 1.00 0.47 O ATOM 556 CB THR A 35 4.426 16.279 -8.272 1.00 0.51 C ATOM 557 OG1 THR A 35 5.195 17.471 -8.429 1.00 0.46 O ATOM 558 CG2 THR A 35 4.960 15.717 -6.992 1.00 0.50 C ATOM 0 H THR A 35 6.774 15.925 -8.938 1.00 0.14 H new ATOM 0 HA THR A 35 4.381 14.307 -9.339 1.00 0.31 H new ATOM 0 HB THR A 35 3.348 16.438 -8.277 1.00 0.51 H new ATOM 0 HG1 THR A 35 6.024 17.396 -7.912 1.00 0.46 H new ATOM 0 HG21 THR A 35 4.708 16.385 -6.168 1.00 0.50 H new ATOM 0 HG22 THR A 35 4.518 14.737 -6.812 1.00 0.50 H new ATOM 0 HG23 THR A 35 6.043 15.619 -7.062 1.00 0.50 H new ATOM 566 N VAL A 36 4.519 17.127 -10.912 1.00 0.34 N ATOM 567 CA VAL A 36 4.032 17.880 -12.126 1.00 0.48 C ATOM 568 C VAL A 36 4.860 17.521 -13.348 1.00 0.48 C ATOM 569 O VAL A 36 4.400 17.037 -14.362 1.00 0.60 O ATOM 570 CB VAL A 36 4.302 19.418 -11.838 1.00 0.56 C ATOM 571 CG1 VAL A 36 3.888 20.350 -13.019 1.00 0.78 C ATOM 572 CG2 VAL A 36 3.617 19.802 -10.527 1.00 0.59 C ATOM 0 H VAL A 36 5.100 17.686 -10.287 1.00 0.34 H new ATOM 0 HA VAL A 36 2.984 17.644 -12.309 1.00 0.48 H new ATOM 0 HB VAL A 36 5.378 19.564 -11.740 1.00 0.56 H new ATOM 0 HG11 VAL A 36 4.099 21.386 -12.756 1.00 0.78 H new ATOM 0 HG12 VAL A 36 4.453 20.080 -13.911 1.00 0.78 H new ATOM 0 HG13 VAL A 36 2.822 20.236 -13.216 1.00 0.78 H new ATOM 0 HG21 VAL A 36 3.796 20.857 -10.319 1.00 0.59 H new ATOM 0 HG22 VAL A 36 2.545 19.625 -10.611 1.00 0.59 H new ATOM 0 HG23 VAL A 36 4.021 19.198 -9.715 1.00 0.59 H new ATOM 582 N GLY A 37 6.111 17.771 -13.160 1.00 0.43 N ATOM 583 CA GLY A 37 7.157 17.528 -14.197 1.00 0.48 C ATOM 584 C GLY A 37 7.928 18.820 -14.393 1.00 0.48 C ATOM 585 O GLY A 37 8.411 19.430 -13.457 1.00 0.58 O ATOM 0 H GLY A 37 6.479 18.153 -12.289 1.00 0.43 H new ATOM 0 HA2 GLY A 37 7.827 16.728 -13.883 1.00 0.48 H new ATOM 0 HA3 GLY A 37 6.699 17.211 -15.134 1.00 0.48 H new ATOM 589 N ASP A 38 8.019 19.187 -15.632 1.00 0.39 N ATOM 590 CA ASP A 38 8.731 20.414 -15.997 1.00 0.41 C ATOM 591 C ASP A 38 8.007 21.685 -15.554 1.00 0.37 C ATOM 592 O ASP A 38 6.796 21.761 -15.428 1.00 0.52 O ATOM 593 CB ASP A 38 8.819 20.308 -17.537 1.00 0.50 C ATOM 594 CG ASP A 38 9.752 19.166 -17.973 1.00 0.44 C ATOM 595 OD1 ASP A 38 10.034 18.313 -17.143 1.00 1.28 O ATOM 596 OD2 ASP A 38 10.122 19.237 -19.134 1.00 1.50 O ATOM 0 H ASP A 38 7.619 18.673 -16.417 1.00 0.39 H new ATOM 0 HA ASP A 38 9.701 20.494 -15.506 1.00 0.41 H new ATOM 0 HB2 ASP A 38 7.823 20.142 -17.948 1.00 0.50 H new ATOM 0 HB3 ASP A 38 9.181 21.251 -17.947 1.00 0.50 H new ATOM 601 N ILE A 39 8.819 22.668 -15.310 1.00 0.59 N ATOM 602 CA ILE A 39 8.323 23.984 -14.873 1.00 0.62 C ATOM 603 C ILE A 39 7.458 24.628 -15.968 1.00 0.91 C ATOM 604 O ILE A 39 7.844 25.405 -16.817 1.00 0.99 O ATOM 605 CB ILE A 39 9.445 24.736 -14.291 1.00 0.50 C ATOM 606 CG1 ILE A 39 8.803 25.849 -13.482 1.00 0.52 C ATOM 607 CG2 ILE A 39 10.467 25.178 -15.334 1.00 0.65 C ATOM 608 CD1 ILE A 39 9.892 26.332 -12.594 1.00 0.44 C ATOM 0 H ILE A 39 9.833 22.607 -15.399 1.00 0.59 H new ATOM 0 HA ILE A 39 7.606 23.935 -14.054 1.00 0.62 H new ATOM 0 HB ILE A 39 10.064 24.123 -13.636 1.00 0.50 H new ATOM 0 HG12 ILE A 39 8.432 26.646 -14.126 1.00 0.52 H new ATOM 0 HG13 ILE A 39 7.953 25.483 -12.906 1.00 0.52 H new ATOM 0 HG21 ILE A 39 11.271 25.728 -14.845 1.00 0.65 H new ATOM 0 HG22 ILE A 39 10.879 24.301 -15.834 1.00 0.65 H new ATOM 0 HG23 ILE A 39 9.982 25.821 -16.069 1.00 0.65 H new ATOM 0 HD11 ILE A 39 9.519 27.142 -11.968 1.00 0.44 H new ATOM 0 HD12 ILE A 39 10.236 25.514 -11.961 1.00 0.44 H new ATOM 0 HD13 ILE A 39 10.722 26.695 -13.200 1.00 0.44 H new ATOM 620 N ASN A 40 6.231 24.231 -15.830 1.00 1.05 N ATOM 621 CA ASN A 40 5.102 24.651 -16.737 1.00 1.30 C ATOM 622 C ASN A 40 4.297 25.766 -16.068 1.00 1.36 C ATOM 623 O ASN A 40 3.090 25.889 -16.139 1.00 1.41 O ATOM 624 CB ASN A 40 4.210 23.405 -17.020 1.00 1.36 C ATOM 625 CG ASN A 40 4.907 22.442 -17.970 1.00 2.66 C ATOM 626 OD1 ASN A 40 5.089 22.709 -19.135 1.00 3.66 O ATOM 627 ND2 ASN A 40 5.323 21.299 -17.540 1.00 2.87 N ATOM 0 H ASN A 40 5.937 23.597 -15.087 1.00 1.05 H new ATOM 0 HA ASN A 40 5.488 25.035 -17.681 1.00 1.30 H new ATOM 0 HB2 ASN A 40 3.981 22.896 -16.083 1.00 1.36 H new ATOM 0 HB3 ASN A 40 3.260 23.723 -17.450 1.00 1.36 H new ATOM 0 HD21 ASN A 40 5.789 20.653 -18.177 1.00 2.87 H new ATOM 0 HD22 ASN A 40 5.186 21.041 -16.563 1.00 2.87 H new ATOM 634 N THR A 41 5.090 26.555 -15.407 1.00 1.37 N ATOM 635 CA THR A 41 4.613 27.751 -14.647 1.00 1.44 C ATOM 636 C THR A 41 5.465 28.900 -15.159 1.00 1.55 C ATOM 637 O THR A 41 5.586 29.087 -16.351 1.00 2.09 O ATOM 638 CB THR A 41 4.816 27.621 -13.117 1.00 1.13 C ATOM 639 OG1 THR A 41 6.221 27.606 -12.905 1.00 0.93 O ATOM 640 CG2 THR A 41 4.489 26.283 -12.617 1.00 1.26 C ATOM 0 H THR A 41 6.099 26.416 -15.358 1.00 1.37 H new ATOM 0 HA THR A 41 3.542 27.886 -14.798 1.00 1.44 H new ATOM 0 HB THR A 41 4.222 28.407 -12.651 1.00 1.13 H new ATOM 0 HG1 THR A 41 6.406 27.526 -11.946 1.00 0.93 H new ATOM 0 HG21 THR A 41 4.649 26.248 -11.539 1.00 1.26 H new ATOM 0 HG22 THR A 41 3.445 26.058 -12.836 1.00 1.26 H new ATOM 0 HG23 THR A 41 5.129 25.547 -13.103 1.00 1.26 H new ATOM 648 N GLU A 42 6.052 29.648 -14.265 1.00 1.17 N ATOM 649 CA GLU A 42 6.894 30.784 -14.726 1.00 1.29 C ATOM 650 C GLU A 42 7.802 31.452 -13.715 1.00 1.18 C ATOM 651 O GLU A 42 7.551 31.480 -12.527 1.00 1.07 O ATOM 652 CB GLU A 42 5.995 31.827 -15.251 1.00 1.35 C ATOM 653 CG GLU A 42 5.553 32.827 -14.177 1.00 1.60 C ATOM 654 CD GLU A 42 4.509 33.793 -14.703 1.00 1.77 C ATOM 655 OE1 GLU A 42 4.873 34.518 -15.612 1.00 2.47 O ATOM 656 OE2 GLU A 42 3.414 33.762 -14.170 1.00 1.40 O ATOM 0 H GLU A 42 5.987 29.525 -13.255 1.00 1.17 H new ATOM 0 HA GLU A 42 7.569 30.333 -15.453 1.00 1.29 H new ATOM 0 HB2 GLU A 42 6.499 32.364 -16.055 1.00 1.35 H new ATOM 0 HB3 GLU A 42 5.114 31.355 -15.686 1.00 1.35 H new ATOM 0 HG2 GLU A 42 5.149 32.286 -13.321 1.00 1.60 H new ATOM 0 HG3 GLU A 42 6.419 33.386 -13.822 1.00 1.60 H new ATOM 663 N ARG A 43 8.823 31.982 -14.296 1.00 1.23 N ATOM 664 CA ARG A 43 9.868 32.695 -13.531 1.00 1.18 C ATOM 665 C ARG A 43 9.575 34.166 -13.069 1.00 1.30 C ATOM 666 O ARG A 43 9.554 35.044 -13.910 1.00 1.59 O ATOM 667 CB ARG A 43 11.061 32.645 -14.474 1.00 1.28 C ATOM 668 CG ARG A 43 12.315 32.929 -13.657 1.00 1.27 C ATOM 669 CD ARG A 43 13.522 32.900 -14.573 1.00 1.43 C ATOM 670 NE ARG A 43 14.691 32.831 -13.640 1.00 1.49 N ATOM 671 CZ ARG A 43 15.763 33.511 -13.681 1.00 1.73 C ATOM 672 NH1 ARG A 43 15.772 34.721 -14.067 1.00 1.53 N ATOM 673 NH2 ARG A 43 16.788 32.869 -13.296 1.00 2.85 N ATOM 0 H ARG A 43 8.985 31.951 -15.303 1.00 1.23 H new ATOM 0 HA ARG A 43 9.994 32.210 -12.563 1.00 1.18 H new ATOM 0 HB2 ARG A 43 11.130 31.667 -14.951 1.00 1.28 H new ATOM 0 HB3 ARG A 43 10.949 33.381 -15.270 1.00 1.28 H new ATOM 0 HG2 ARG A 43 12.235 33.902 -13.171 1.00 1.27 H new ATOM 0 HG3 ARG A 43 12.425 32.186 -12.867 1.00 1.27 H new ATOM 0 HD2 ARG A 43 13.494 32.039 -15.241 1.00 1.43 H new ATOM 0 HD3 ARG A 43 13.566 33.789 -15.201 1.00 1.43 H new ATOM 0 HE ARG A 43 14.618 32.156 -12.879 1.00 1.49 H new ATOM 0 HH11 ARG A 43 14.903 35.171 -14.354 1.00 1.53 H new ATOM 0 HH12 ARG A 43 16.648 35.243 -14.090 1.00 1.53 H new ATOM 0 HH21 ARG A 43 16.698 31.899 -12.993 1.00 2.85 H new ATOM 0 HH22 ARG A 43 17.701 33.323 -13.290 1.00 2.85 H new ATOM 805 N LYS A 52 11.316 34.074 -7.356 1.00 0.82 N ATOM 806 CA LYS A 52 12.151 33.522 -8.457 1.00 0.73 C ATOM 807 C LYS A 52 12.863 32.216 -8.087 1.00 0.50 C ATOM 808 O LYS A 52 12.741 31.212 -8.748 1.00 0.30 O ATOM 809 CB LYS A 52 13.215 34.601 -8.589 1.00 0.86 C ATOM 810 CG LYS A 52 12.697 35.810 -9.389 1.00 1.11 C ATOM 811 CD LYS A 52 13.500 37.048 -8.999 1.00 1.89 C ATOM 812 CE LYS A 52 15.001 36.796 -9.088 1.00 1.79 C ATOM 813 NZ LYS A 52 15.467 36.265 -7.765 1.00 2.16 N ATOM 0 HA LYS A 52 11.555 33.296 -9.341 1.00 0.73 H new ATOM 0 HB2 LYS A 52 13.529 34.927 -7.597 1.00 0.86 H new ATOM 0 HB3 LYS A 52 14.095 34.187 -9.082 1.00 0.86 H new ATOM 0 HG2 LYS A 52 12.792 35.622 -10.458 1.00 1.11 H new ATOM 0 HG3 LYS A 52 11.638 35.969 -9.186 1.00 1.11 H new ATOM 0 HD2 LYS A 52 13.231 37.878 -9.653 1.00 1.89 H new ATOM 0 HD3 LYS A 52 13.240 37.345 -7.983 1.00 1.89 H new ATOM 0 HE2 LYS A 52 15.220 36.082 -9.882 1.00 1.79 H new ATOM 0 HE3 LYS A 52 15.527 37.718 -9.334 1.00 1.79 H new ATOM 0 HZ1 LYS A 52 16.370 36.713 -7.510 1.00 2.16 H new ATOM 0 HZ2 LYS A 52 14.757 36.478 -7.036 1.00 2.16 H new ATOM 0 HZ3 LYS A 52 15.597 35.235 -7.831 1.00 2.16 H new ATOM 827 N ALA A 53 13.612 32.305 -7.014 1.00 0.55 N ATOM 828 CA ALA A 53 14.395 31.142 -6.478 1.00 0.35 C ATOM 829 C ALA A 53 13.595 29.843 -6.645 1.00 0.28 C ATOM 830 O ALA A 53 14.034 28.924 -7.300 1.00 0.17 O ATOM 831 CB ALA A 53 14.648 31.424 -5.027 1.00 0.32 C ATOM 0 H ALA A 53 13.717 33.162 -6.470 1.00 0.55 H new ATOM 0 HA ALA A 53 15.334 31.017 -7.017 1.00 0.35 H new ATOM 0 HB1 ALA A 53 15.217 30.603 -4.591 1.00 0.32 H new ATOM 0 HB2 ALA A 53 15.215 32.350 -4.930 1.00 0.32 H new ATOM 0 HB3 ALA A 53 13.697 31.524 -4.505 1.00 0.32 H new ATOM 837 N LYS A 54 12.433 29.808 -6.045 1.00 0.41 N ATOM 838 CA LYS A 54 11.547 28.594 -6.150 1.00 0.44 C ATOM 839 C LYS A 54 11.464 28.130 -7.610 1.00 0.29 C ATOM 840 O LYS A 54 11.660 26.979 -7.961 1.00 0.20 O ATOM 841 CB LYS A 54 10.085 28.987 -5.707 1.00 0.66 C ATOM 842 CG LYS A 54 9.816 28.697 -4.211 1.00 0.51 C ATOM 843 CD LYS A 54 10.560 29.664 -3.249 1.00 1.24 C ATOM 844 CE LYS A 54 9.959 31.056 -3.178 1.00 2.72 C ATOM 845 NZ LYS A 54 10.430 31.663 -1.896 1.00 2.49 N ATOM 0 H LYS A 54 12.052 30.569 -5.482 1.00 0.41 H new ATOM 0 HA LYS A 54 11.959 27.805 -5.520 1.00 0.44 H new ATOM 0 HB2 LYS A 54 9.923 30.047 -5.902 1.00 0.66 H new ATOM 0 HB3 LYS A 54 9.366 28.438 -6.314 1.00 0.66 H new ATOM 0 HG2 LYS A 54 8.744 28.763 -4.023 1.00 0.51 H new ATOM 0 HG3 LYS A 54 10.116 27.673 -3.988 1.00 0.51 H new ATOM 0 HD2 LYS A 54 10.565 29.231 -2.249 1.00 1.24 H new ATOM 0 HD3 LYS A 54 11.600 29.745 -3.566 1.00 1.24 H new ATOM 0 HE2 LYS A 54 10.275 31.658 -4.030 1.00 2.72 H new ATOM 0 HE3 LYS A 54 8.870 31.009 -3.207 1.00 2.72 H new ATOM 0 HZ1 LYS A 54 10.112 32.652 -1.842 1.00 2.49 H new ATOM 0 HZ2 LYS A 54 10.038 31.129 -1.094 1.00 2.49 H new ATOM 0 HZ3 LYS A 54 11.469 31.631 -1.858 1.00 2.49 H new ATOM 859 N TRP A 55 11.166 29.092 -8.433 1.00 0.45 N ATOM 860 CA TRP A 55 11.037 28.825 -9.860 1.00 0.47 C ATOM 861 C TRP A 55 12.268 28.199 -10.456 1.00 0.44 C ATOM 862 O TRP A 55 12.232 27.126 -11.018 1.00 0.40 O ATOM 863 CB TRP A 55 10.820 30.161 -10.533 1.00 0.65 C ATOM 864 CG TRP A 55 10.449 29.785 -11.927 1.00 0.77 C ATOM 865 CD1 TRP A 55 9.188 29.550 -12.261 1.00 0.85 C ATOM 866 CD2 TRP A 55 11.253 29.599 -12.988 1.00 0.83 C ATOM 867 NE1 TRP A 55 9.278 29.228 -13.509 1.00 0.92 N ATOM 868 CE2 TRP A 55 10.468 29.230 -14.034 1.00 0.92 C ATOM 869 CE3 TRP A 55 12.598 29.706 -13.204 1.00 0.86 C ATOM 870 CZ2 TRP A 55 10.951 28.970 -15.255 1.00 0.99 C ATOM 871 CZ3 TRP A 55 13.120 29.446 -14.445 1.00 0.96 C ATOM 872 CH2 TRP A 55 12.300 29.073 -15.495 1.00 1.02 C ATOM 0 H TRP A 55 11.007 30.061 -8.159 1.00 0.45 H new ATOM 0 HA TRP A 55 10.215 28.124 -10.008 1.00 0.47 H new ATOM 0 HB2 TRP A 55 10.030 30.733 -10.047 1.00 0.65 H new ATOM 0 HB3 TRP A 55 11.720 30.775 -10.508 1.00 0.65 H new ATOM 0 HD1 TRP A 55 8.304 29.612 -11.643 1.00 0.85 H new ATOM 0 HE1 TRP A 55 8.454 28.983 -14.057 1.00 0.92 H new ATOM 0 HE3 TRP A 55 13.252 29.996 -12.395 1.00 0.86 H new ATOM 0 HZ2 TRP A 55 10.281 28.680 -16.051 1.00 0.99 H new ATOM 0 HZ3 TRP A 55 14.185 29.533 -14.605 1.00 0.96 H new ATOM 0 HH2 TRP A 55 12.708 28.869 -16.474 1.00 1.02 H new ATOM 883 N ASP A 56 13.315 28.932 -10.284 1.00 0.49 N ATOM 884 CA ASP A 56 14.624 28.488 -10.811 1.00 0.57 C ATOM 885 C ASP A 56 14.977 27.107 -10.275 1.00 0.47 C ATOM 886 O ASP A 56 15.234 26.191 -11.033 1.00 0.56 O ATOM 887 CB ASP A 56 15.588 29.580 -10.465 1.00 0.67 C ATOM 888 CG ASP A 56 15.487 30.740 -11.426 1.00 0.72 C ATOM 889 OD1 ASP A 56 15.563 30.480 -12.609 1.00 1.35 O ATOM 890 OD2 ASP A 56 15.344 31.863 -10.991 1.00 1.24 O ATOM 0 H ASP A 56 13.324 29.828 -9.797 1.00 0.49 H new ATOM 0 HA ASP A 56 14.635 28.347 -11.892 1.00 0.57 H new ATOM 0 HB2 ASP A 56 15.393 29.930 -9.451 1.00 0.67 H new ATOM 0 HB3 ASP A 56 16.604 29.185 -10.476 1.00 0.67 H new ATOM 895 N ALA A 57 14.974 26.994 -8.979 1.00 0.37 N ATOM 896 CA ALA A 57 15.296 25.704 -8.345 1.00 0.41 C ATOM 897 C ALA A 57 14.578 24.571 -9.090 1.00 0.40 C ATOM 898 O ALA A 57 15.198 23.593 -9.440 1.00 0.53 O ATOM 899 CB ALA A 57 14.890 25.861 -6.917 1.00 0.35 C ATOM 0 H ALA A 57 14.759 27.752 -8.331 1.00 0.37 H new ATOM 0 HA ALA A 57 16.352 25.437 -8.390 1.00 0.41 H new ATOM 0 HB1 ALA A 57 15.099 24.938 -6.376 1.00 0.35 H new ATOM 0 HB2 ALA A 57 15.451 26.680 -6.467 1.00 0.35 H new ATOM 0 HB3 ALA A 57 13.823 26.079 -6.864 1.00 0.35 H new ATOM 905 N TRP A 58 13.294 24.720 -9.299 1.00 0.27 N ATOM 906 CA TRP A 58 12.507 23.672 -10.032 1.00 0.25 C ATOM 907 C TRP A 58 12.953 23.650 -11.484 1.00 0.40 C ATOM 908 O TRP A 58 13.320 22.616 -11.995 1.00 0.49 O ATOM 909 CB TRP A 58 11.005 24.004 -9.943 1.00 0.16 C ATOM 910 CG TRP A 58 10.174 23.003 -10.792 1.00 0.22 C ATOM 911 CD1 TRP A 58 10.594 21.869 -11.462 1.00 0.28 C ATOM 912 CD2 TRP A 58 8.858 23.166 -11.010 1.00 0.32 C ATOM 913 NE1 TRP A 58 9.486 21.447 -12.036 1.00 0.37 N ATOM 914 CE2 TRP A 58 8.406 22.162 -11.826 1.00 0.42 C ATOM 915 CE3 TRP A 58 7.986 24.140 -10.558 1.00 0.41 C ATOM 916 CZ2 TRP A 58 7.096 22.124 -12.208 1.00 0.59 C ATOM 917 CZ3 TRP A 58 6.680 24.110 -10.935 1.00 0.61 C ATOM 918 CH2 TRP A 58 6.245 23.105 -11.757 1.00 0.69 C ATOM 0 H TRP A 58 12.750 25.527 -8.993 1.00 0.27 H new ATOM 0 HA TRP A 58 12.678 22.693 -9.585 1.00 0.25 H new ATOM 0 HB2 TRP A 58 10.679 23.966 -8.903 1.00 0.16 H new ATOM 0 HB3 TRP A 58 10.830 25.021 -10.295 1.00 0.16 H new ATOM 0 HD1 TRP A 58 11.583 21.437 -11.504 1.00 0.28 H new ATOM 0 HE1 TRP A 58 9.468 20.607 -12.614 1.00 0.37 H new ATOM 0 HE3 TRP A 58 8.342 24.924 -9.906 1.00 0.41 H new ATOM 0 HZ2 TRP A 58 6.734 21.337 -12.853 1.00 0.59 H new ATOM 0 HZ3 TRP A 58 5.994 24.870 -10.590 1.00 0.61 H new ATOM 0 HH2 TRP A 58 5.208 23.082 -12.058 1.00 0.69 H new ATOM 929 N ASN A 59 12.913 24.770 -12.132 1.00 0.44 N ATOM 930 CA ASN A 59 13.317 24.892 -13.548 1.00 0.58 C ATOM 931 C ASN A 59 14.584 24.072 -13.844 1.00 0.63 C ATOM 932 O ASN A 59 14.618 23.336 -14.800 1.00 0.65 O ATOM 933 CB ASN A 59 13.450 26.361 -13.707 1.00 0.68 C ATOM 934 CG ASN A 59 14.282 26.726 -14.873 1.00 0.82 C ATOM 935 OD1 ASN A 59 15.199 27.566 -14.566 1.00 0.88 O flip ATOM 936 ND2 ASN A 59 14.120 26.284 -15.990 1.00 0.89 N flip ATOM 0 H ASN A 59 12.601 25.647 -11.715 1.00 0.44 H new ATOM 0 HA ASN A 59 12.614 24.480 -14.272 1.00 0.58 H new ATOM 0 HB2 ASN A 59 12.460 26.803 -13.817 1.00 0.68 H new ATOM 0 HB3 ASN A 59 13.889 26.784 -12.803 1.00 0.68 H new ATOM 0 HD21 ASN A 59 13.370 25.617 -16.171 1.00 0.89 H new ATOM 0 HD22 ASN A 59 14.734 26.579 -16.749 1.00 0.89 H new ATOM 943 N GLU A 60 15.566 24.234 -13.007 1.00 0.66 N ATOM 944 CA GLU A 60 16.885 23.529 -13.102 1.00 0.73 C ATOM 945 C GLU A 60 16.769 22.040 -13.445 1.00 0.72 C ATOM 946 O GLU A 60 17.654 21.391 -13.959 1.00 0.95 O ATOM 947 CB GLU A 60 17.521 23.653 -11.704 1.00 0.77 C ATOM 948 CG GLU A 60 18.212 25.027 -11.543 1.00 1.21 C ATOM 949 CD GLU A 60 19.368 25.154 -12.542 1.00 1.04 C ATOM 950 OE1 GLU A 60 20.395 24.544 -12.300 1.00 1.23 O ATOM 951 OE2 GLU A 60 19.126 25.867 -13.499 1.00 2.21 O ATOM 0 H GLU A 60 15.507 24.866 -12.209 1.00 0.66 H new ATOM 0 HA GLU A 60 17.468 23.981 -13.904 1.00 0.73 H new ATOM 0 HB2 GLU A 60 16.755 23.532 -10.938 1.00 0.77 H new ATOM 0 HB3 GLU A 60 18.248 22.854 -11.557 1.00 0.77 H new ATOM 0 HG2 GLU A 60 17.490 25.827 -11.706 1.00 1.21 H new ATOM 0 HG3 GLU A 60 18.586 25.138 -10.525 1.00 1.21 H new ATOM 958 N LEU A 61 15.622 21.546 -13.116 1.00 0.48 N ATOM 959 CA LEU A 61 15.239 20.140 -13.320 1.00 0.41 C ATOM 960 C LEU A 61 14.476 19.816 -14.597 1.00 0.37 C ATOM 961 O LEU A 61 14.531 18.716 -15.100 1.00 0.42 O ATOM 962 CB LEU A 61 14.322 19.882 -12.224 1.00 0.33 C ATOM 963 CG LEU A 61 14.883 20.382 -10.904 1.00 0.30 C ATOM 964 CD1 LEU A 61 13.879 19.967 -9.972 1.00 0.15 C ATOM 965 CD2 LEU A 61 16.187 19.729 -10.561 1.00 0.45 C ATOM 0 H LEU A 61 14.886 22.104 -12.684 1.00 0.48 H new ATOM 0 HA LEU A 61 16.153 19.548 -13.377 1.00 0.41 H new ATOM 0 HB2 LEU A 61 13.368 20.369 -12.424 1.00 0.33 H new ATOM 0 HB3 LEU A 61 14.126 18.812 -12.156 1.00 0.33 H new ATOM 0 HG LEU A 61 15.086 21.453 -10.915 1.00 0.30 H new ATOM 0 HD11 LEU A 61 14.168 20.272 -8.966 1.00 0.15 H new ATOM 0 HD12 LEU A 61 12.927 20.430 -10.232 1.00 0.15 H new ATOM 0 HD13 LEU A 61 13.776 18.882 -10.007 1.00 0.15 H new ATOM 0 HD21 LEU A 61 16.549 20.118 -9.609 1.00 0.45 H new ATOM 0 HD22 LEU A 61 16.045 18.651 -10.482 1.00 0.45 H new ATOM 0 HD23 LEU A 61 16.917 19.942 -11.342 1.00 0.45 H new ATOM 977 N LYS A 62 13.767 20.812 -15.050 1.00 0.42 N ATOM 978 CA LYS A 62 12.910 20.782 -16.272 1.00 0.47 C ATOM 979 C LYS A 62 13.157 19.649 -17.313 1.00 0.28 C ATOM 980 O LYS A 62 13.609 19.780 -18.440 1.00 0.45 O ATOM 981 CB LYS A 62 12.674 22.202 -16.769 1.00 0.66 C ATOM 982 CG LYS A 62 11.720 22.051 -17.948 1.00 0.69 C ATOM 983 CD LYS A 62 12.499 22.425 -19.245 1.00 0.96 C ATOM 984 CE LYS A 62 11.727 21.961 -20.480 1.00 0.96 C ATOM 985 NZ LYS A 62 12.017 20.506 -20.680 1.00 1.76 N ATOM 0 H LYS A 62 13.748 21.718 -14.581 1.00 0.42 H new ATOM 0 HA LYS A 62 11.933 20.401 -15.975 1.00 0.47 H new ATOM 0 HB2 LYS A 62 12.241 22.827 -15.988 1.00 0.66 H new ATOM 0 HB3 LYS A 62 13.608 22.674 -17.074 1.00 0.66 H new ATOM 0 HG2 LYS A 62 11.347 21.029 -18.008 1.00 0.69 H new ATOM 0 HG3 LYS A 62 10.853 22.700 -17.823 1.00 0.69 H new ATOM 0 HD2 LYS A 62 12.652 23.503 -19.287 1.00 0.96 H new ATOM 0 HD3 LYS A 62 13.486 21.963 -19.230 1.00 0.96 H new ATOM 0 HE2 LYS A 62 10.658 22.122 -20.345 1.00 0.96 H new ATOM 0 HE3 LYS A 62 12.028 22.535 -21.357 1.00 0.96 H new ATOM 0 HZ1 LYS A 62 12.232 20.329 -21.682 1.00 1.76 H new ATOM 0 HZ2 LYS A 62 12.833 20.231 -20.097 1.00 1.76 H new ATOM 0 HZ3 LYS A 62 11.187 19.945 -20.400 1.00 1.76 H new ATOM 999 N GLY A 63 12.740 18.543 -16.800 1.00 0.19 N ATOM 1000 CA GLY A 63 12.809 17.202 -17.462 1.00 0.38 C ATOM 1001 C GLY A 63 13.529 16.107 -16.646 1.00 0.47 C ATOM 1002 O GLY A 63 13.858 15.092 -17.231 1.00 0.66 O ATOM 0 H GLY A 63 12.318 18.502 -15.872 1.00 0.19 H new ATOM 0 HA2 GLY A 63 11.794 16.866 -17.676 1.00 0.38 H new ATOM 0 HA3 GLY A 63 13.316 17.312 -18.420 1.00 0.38 H new ATOM 1006 N THR A 64 13.790 16.261 -15.359 1.00 0.37 N ATOM 1007 CA THR A 64 14.479 15.148 -14.638 1.00 0.47 C ATOM 1008 C THR A 64 13.629 13.871 -14.704 1.00 0.45 C ATOM 1009 O THR A 64 12.411 13.927 -14.690 1.00 0.47 O ATOM 1010 CB THR A 64 14.603 15.614 -13.170 1.00 0.59 C ATOM 1011 OG1 THR A 64 15.983 15.599 -12.895 1.00 0.77 O ATOM 1012 CG2 THR A 64 14.060 14.622 -12.168 1.00 0.71 C ATOM 0 H THR A 64 13.562 17.083 -14.800 1.00 0.37 H new ATOM 0 HA THR A 64 15.450 14.925 -15.079 1.00 0.47 H new ATOM 0 HB THR A 64 14.073 16.562 -13.080 1.00 0.59 H new ATOM 0 HG1 THR A 64 16.136 15.888 -11.971 1.00 0.77 H new ATOM 0 HG21 THR A 64 14.182 15.019 -11.160 1.00 0.71 H new ATOM 0 HG22 THR A 64 13.002 14.449 -12.364 1.00 0.71 H new ATOM 0 HG23 THR A 64 14.604 13.681 -12.256 1.00 0.71 H new ATOM 1020 N SER A 65 14.262 12.731 -14.751 1.00 0.47 N ATOM 1021 CA SER A 65 13.480 11.452 -14.810 1.00 0.55 C ATOM 1022 C SER A 65 12.535 11.459 -13.596 1.00 0.62 C ATOM 1023 O SER A 65 12.996 11.423 -12.476 1.00 0.65 O ATOM 1024 CB SER A 65 14.474 10.290 -14.770 1.00 0.49 C ATOM 1025 OG SER A 65 15.243 10.544 -15.943 1.00 1.73 O ATOM 0 H SER A 65 15.276 12.624 -14.751 1.00 0.47 H new ATOM 0 HA SER A 65 12.888 11.348 -15.719 1.00 0.55 H new ATOM 0 HB2 SER A 65 15.084 10.301 -13.867 1.00 0.49 H new ATOM 0 HB3 SER A 65 13.976 9.321 -14.806 1.00 0.49 H new ATOM 0 HG SER A 65 15.934 9.855 -16.037 1.00 1.73 H new ATOM 1031 N LYS A 66 11.246 11.529 -13.831 1.00 0.61 N ATOM 1032 CA LYS A 66 10.207 11.552 -12.733 1.00 0.61 C ATOM 1033 C LYS A 66 10.594 10.979 -11.353 1.00 0.48 C ATOM 1034 O LYS A 66 10.374 11.592 -10.326 1.00 0.41 O ATOM 1035 CB LYS A 66 8.950 10.808 -13.272 1.00 0.65 C ATOM 1036 CG LYS A 66 8.031 11.782 -14.101 1.00 0.97 C ATOM 1037 CD LYS A 66 7.216 12.645 -13.080 1.00 1.15 C ATOM 1038 CE LYS A 66 6.485 13.830 -13.739 1.00 2.18 C ATOM 1039 NZ LYS A 66 5.756 14.575 -12.663 1.00 2.86 N ATOM 0 H LYS A 66 10.851 11.573 -14.770 1.00 0.61 H new ATOM 0 HA LYS A 66 10.047 12.608 -12.515 1.00 0.61 H new ATOM 0 HB2 LYS A 66 9.259 9.972 -13.899 1.00 0.65 H new ATOM 0 HB3 LYS A 66 8.385 10.390 -12.439 1.00 0.65 H new ATOM 0 HG2 LYS A 66 8.634 12.420 -14.747 1.00 0.97 H new ATOM 0 HG3 LYS A 66 7.359 11.217 -14.748 1.00 0.97 H new ATOM 0 HD2 LYS A 66 6.487 12.010 -12.577 1.00 1.15 H new ATOM 0 HD3 LYS A 66 7.891 13.024 -12.313 1.00 1.15 H new ATOM 0 HE2 LYS A 66 7.196 14.485 -14.242 1.00 2.18 H new ATOM 0 HE3 LYS A 66 5.787 13.474 -14.497 1.00 2.18 H new ATOM 0 HZ1 LYS A 66 4.811 14.841 -13.005 1.00 2.86 H new ATOM 0 HZ2 LYS A 66 5.663 13.969 -11.823 1.00 2.86 H new ATOM 0 HZ3 LYS A 66 6.288 15.433 -12.413 1.00 2.86 H new ATOM 1053 N GLU A 67 11.174 9.818 -11.420 1.00 0.56 N ATOM 1054 CA GLU A 67 11.619 9.069 -10.215 1.00 0.53 C ATOM 1055 C GLU A 67 12.813 9.761 -9.616 1.00 0.47 C ATOM 1056 O GLU A 67 12.841 10.016 -8.435 1.00 0.46 O ATOM 1057 CB GLU A 67 11.938 7.631 -10.681 1.00 0.74 C ATOM 1058 CG GLU A 67 11.040 6.619 -9.893 1.00 1.24 C ATOM 1059 CD GLU A 67 11.547 6.363 -8.462 1.00 2.32 C ATOM 1060 OE1 GLU A 67 12.414 5.513 -8.332 1.00 2.97 O ATOM 1061 OE2 GLU A 67 11.036 7.038 -7.583 1.00 3.01 O ATOM 0 H GLU A 67 11.366 9.337 -12.299 1.00 0.56 H new ATOM 0 HA GLU A 67 10.856 9.033 -9.438 1.00 0.53 H new ATOM 0 HB2 GLU A 67 11.759 7.536 -11.752 1.00 0.74 H new ATOM 0 HB3 GLU A 67 12.991 7.407 -10.513 1.00 0.74 H new ATOM 0 HG2 GLU A 67 10.020 7.002 -9.850 1.00 1.24 H new ATOM 0 HG3 GLU A 67 11.003 5.674 -10.435 1.00 1.24 H new ATOM 1068 N ASP A 68 13.798 10.064 -10.409 1.00 0.51 N ATOM 1069 CA ASP A 68 14.995 10.744 -9.891 1.00 0.48 C ATOM 1070 C ASP A 68 14.600 11.891 -8.952 1.00 0.36 C ATOM 1071 O ASP A 68 15.111 12.040 -7.859 1.00 0.30 O ATOM 1072 CB ASP A 68 15.797 11.088 -11.130 1.00 0.64 C ATOM 1073 CG ASP A 68 16.358 9.787 -11.670 1.00 0.80 C ATOM 1074 OD1 ASP A 68 15.575 8.959 -12.105 1.00 1.88 O ATOM 1075 OD2 ASP A 68 17.559 9.644 -11.612 1.00 0.71 O ATOM 0 H ASP A 68 13.817 9.863 -11.409 1.00 0.51 H new ATOM 0 HA ASP A 68 15.629 10.144 -9.238 1.00 0.48 H new ATOM 0 HB2 ASP A 68 15.167 11.575 -11.874 1.00 0.64 H new ATOM 0 HB3 ASP A 68 16.601 11.784 -10.888 1.00 0.64 H new ATOM 1080 N ALA A 69 13.667 12.643 -9.469 1.00 0.38 N ATOM 1081 CA ALA A 69 13.094 13.835 -8.743 1.00 0.30 C ATOM 1082 C ALA A 69 12.711 13.423 -7.299 1.00 0.16 C ATOM 1083 O ALA A 69 13.027 14.100 -6.340 1.00 0.29 O ATOM 1084 CB ALA A 69 11.856 14.271 -9.491 1.00 0.38 C ATOM 0 H ALA A 69 13.261 12.483 -10.391 1.00 0.38 H new ATOM 0 HA ALA A 69 13.820 14.646 -8.696 1.00 0.30 H new ATOM 0 HB1 ALA A 69 11.414 15.134 -8.992 1.00 0.38 H new ATOM 0 HB2 ALA A 69 12.124 14.541 -10.513 1.00 0.38 H new ATOM 0 HB3 ALA A 69 11.135 13.454 -9.509 1.00 0.38 H new ATOM 1090 N MET A 70 12.037 12.296 -7.228 1.00 0.03 N ATOM 1091 CA MET A 70 11.557 11.664 -5.987 1.00 0.03 C ATOM 1092 C MET A 70 12.717 11.076 -5.174 1.00 0.12 C ATOM 1093 O MET A 70 12.929 11.474 -4.052 1.00 0.20 O ATOM 1094 CB MET A 70 10.654 10.475 -6.405 1.00 0.07 C ATOM 1095 CG MET A 70 9.343 10.962 -7.027 1.00 0.03 C ATOM 1096 SD MET A 70 8.021 9.758 -7.304 1.00 0.06 S ATOM 1097 CE MET A 70 6.656 10.939 -7.462 1.00 0.47 C ATOM 0 H MET A 70 11.791 11.761 -8.061 1.00 0.03 H new ATOM 0 HA MET A 70 11.040 12.411 -5.385 1.00 0.03 H new ATOM 0 HB2 MET A 70 11.186 9.846 -7.119 1.00 0.07 H new ATOM 0 HB3 MET A 70 10.438 9.856 -5.534 1.00 0.07 H new ATOM 0 HG2 MET A 70 8.945 11.750 -6.388 1.00 0.03 H new ATOM 0 HG3 MET A 70 9.581 11.420 -7.987 1.00 0.03 H new ATOM 0 HE1 MET A 70 5.713 10.435 -7.250 1.00 0.47 H new ATOM 0 HE2 MET A 70 6.798 11.756 -6.754 1.00 0.47 H new ATOM 0 HE3 MET A 70 6.635 11.337 -8.476 1.00 0.47 H new ATOM 1107 N LYS A 71 13.425 10.140 -5.744 1.00 0.15 N ATOM 1108 CA LYS A 71 14.590 9.498 -5.055 1.00 0.20 C ATOM 1109 C LYS A 71 15.297 10.668 -4.343 1.00 0.17 C ATOM 1110 O LYS A 71 15.374 10.740 -3.134 1.00 0.18 O ATOM 1111 CB LYS A 71 15.444 8.850 -6.173 1.00 0.23 C ATOM 1112 CG LYS A 71 14.691 7.619 -6.782 1.00 0.75 C ATOM 1113 CD LYS A 71 14.967 7.495 -8.312 1.00 1.67 C ATOM 1114 CE LYS A 71 16.429 7.356 -8.673 1.00 1.26 C ATOM 1115 NZ LYS A 71 16.551 7.495 -10.164 1.00 2.42 N ATOM 0 H LYS A 71 13.243 9.782 -6.682 1.00 0.15 H new ATOM 0 HA LYS A 71 14.355 8.721 -4.328 1.00 0.20 H new ATOM 0 HB2 LYS A 71 15.651 9.582 -6.954 1.00 0.23 H new ATOM 0 HB3 LYS A 71 16.406 8.534 -5.769 1.00 0.23 H new ATOM 0 HG2 LYS A 71 15.009 6.707 -6.277 1.00 0.75 H new ATOM 0 HG3 LYS A 71 13.620 7.722 -6.609 1.00 0.75 H new ATOM 0 HD2 LYS A 71 14.426 6.631 -8.698 1.00 1.67 H new ATOM 0 HD3 LYS A 71 14.563 8.374 -8.814 1.00 1.67 H new ATOM 0 HE2 LYS A 71 17.021 8.120 -8.169 1.00 1.26 H new ATOM 0 HE3 LYS A 71 16.812 6.389 -8.347 1.00 1.26 H new ATOM 0 HZ1 LYS A 71 16.564 6.551 -10.601 1.00 2.42 H new ATOM 0 HZ2 LYS A 71 15.740 8.034 -10.530 1.00 2.42 H new ATOM 0 HZ3 LYS A 71 17.433 7.996 -10.395 1.00 2.42 H new ATOM 1129 N ALA A 72 15.746 11.580 -5.173 1.00 0.19 N ATOM 1130 CA ALA A 72 16.450 12.790 -4.692 1.00 0.22 C ATOM 1131 C ALA A 72 15.580 13.394 -3.560 1.00 0.26 C ATOM 1132 O ALA A 72 15.995 13.486 -2.424 1.00 0.27 O ATOM 1133 CB ALA A 72 16.562 13.669 -5.954 1.00 0.29 C ATOM 0 H ALA A 72 15.646 11.526 -6.187 1.00 0.19 H new ATOM 0 HA ALA A 72 17.443 12.644 -4.267 1.00 0.22 H new ATOM 0 HB1 ALA A 72 17.073 14.599 -5.705 1.00 0.29 H new ATOM 0 HB2 ALA A 72 17.128 13.137 -6.719 1.00 0.29 H new ATOM 0 HB3 ALA A 72 15.564 13.893 -6.331 1.00 0.29 H new ATOM 1139 N TYR A 73 14.387 13.784 -3.921 1.00 0.29 N ATOM 1140 CA TYR A 73 13.418 14.381 -2.945 1.00 0.33 C ATOM 1141 C TYR A 73 13.516 13.841 -1.505 1.00 0.25 C ATOM 1142 O TYR A 73 13.670 14.585 -0.558 1.00 0.31 O ATOM 1143 CB TYR A 73 12.017 13.987 -3.415 1.00 0.40 C ATOM 1144 CG TYR A 73 10.970 14.857 -2.767 1.00 0.35 C ATOM 1145 CD1 TYR A 73 10.841 16.151 -3.170 1.00 1.35 C ATOM 1146 CD2 TYR A 73 10.160 14.371 -1.777 1.00 1.77 C ATOM 1147 CE1 TYR A 73 9.913 16.961 -2.578 1.00 1.36 C ATOM 1148 CE2 TYR A 73 9.231 15.193 -1.196 1.00 1.73 C ATOM 1149 CZ TYR A 73 9.101 16.495 -1.588 1.00 0.25 C ATOM 1150 OH TYR A 73 8.180 17.342 -1.010 1.00 0.22 O ATOM 0 H TYR A 73 14.032 13.713 -4.874 1.00 0.29 H new ATOM 0 HA TYR A 73 13.637 15.449 -2.920 1.00 0.33 H new ATOM 0 HB2 TYR A 73 11.953 14.080 -4.499 1.00 0.40 H new ATOM 0 HB3 TYR A 73 11.828 12.941 -3.173 1.00 0.40 H new ATOM 0 HD1 TYR A 73 11.472 16.537 -3.957 1.00 1.35 H new ATOM 0 HD2 TYR A 73 10.253 13.344 -1.455 1.00 1.77 H new ATOM 0 HE1 TYR A 73 9.822 17.988 -2.900 1.00 1.36 H new ATOM 0 HE2 TYR A 73 8.592 14.806 -0.416 1.00 1.73 H new ATOM 0 HH TYR A 73 7.425 17.470 -1.621 1.00 0.22 H new ATOM 1160 N ILE A 74 13.432 12.544 -1.410 1.00 0.15 N ATOM 1161 CA ILE A 74 13.490 11.888 -0.063 1.00 0.10 C ATOM 1162 C ILE A 74 14.933 11.928 0.426 1.00 0.11 C ATOM 1163 O ILE A 74 15.249 12.507 1.447 1.00 0.11 O ATOM 1164 CB ILE A 74 13.265 10.328 -0.114 1.00 0.09 C ATOM 1165 CG1 ILE A 74 12.282 9.831 -1.185 1.00 0.12 C ATOM 1166 CG2 ILE A 74 12.856 9.937 1.308 1.00 0.09 C ATOM 1167 CD1 ILE A 74 12.834 8.488 -1.693 1.00 0.57 C ATOM 0 H ILE A 74 13.326 11.907 -2.200 1.00 0.15 H new ATOM 0 HA ILE A 74 12.739 12.404 0.535 1.00 0.10 H new ATOM 0 HB ILE A 74 14.184 9.835 -0.432 1.00 0.09 H new ATOM 0 HG12 ILE A 74 11.283 9.707 -0.767 1.00 0.12 H new ATOM 0 HG13 ILE A 74 12.200 10.550 -2.000 1.00 0.12 H new ATOM 0 HG21 ILE A 74 12.681 8.862 1.354 1.00 0.09 H new ATOM 0 HG22 ILE A 74 13.652 10.205 2.002 1.00 0.09 H new ATOM 0 HG23 ILE A 74 11.943 10.465 1.582 1.00 0.09 H new ATOM 0 HD11 ILE A 74 12.170 8.088 -2.460 1.00 0.57 H new ATOM 0 HD12 ILE A 74 13.827 8.639 -2.116 1.00 0.57 H new ATOM 0 HD13 ILE A 74 12.896 7.783 -0.864 1.00 0.57 H new ATOM 1179 N ASP A 75 15.755 11.293 -0.370 1.00 0.12 N ATOM 1180 CA ASP A 75 17.211 11.166 -0.121 1.00 0.13 C ATOM 1181 C ASP A 75 17.873 12.470 0.363 1.00 0.21 C ATOM 1182 O ASP A 75 18.846 12.491 1.095 1.00 0.24 O ATOM 1183 CB ASP A 75 17.763 10.607 -1.446 1.00 0.15 C ATOM 1184 CG ASP A 75 17.162 9.252 -1.885 1.00 0.31 C ATOM 1185 OD1 ASP A 75 16.349 8.698 -1.163 1.00 1.06 O ATOM 1186 OD2 ASP A 75 17.585 8.869 -2.962 1.00 1.26 O ATOM 0 H ASP A 75 15.450 10.835 -1.229 1.00 0.12 H new ATOM 0 HA ASP A 75 17.437 10.501 0.713 1.00 0.13 H new ATOM 0 HB2 ASP A 75 17.584 11.339 -2.234 1.00 0.15 H new ATOM 0 HB3 ASP A 75 18.843 10.495 -1.354 1.00 0.15 H new ATOM 1191 N LYS A 76 17.285 13.540 -0.081 1.00 0.24 N ATOM 1192 CA LYS A 76 17.783 14.897 0.275 1.00 0.31 C ATOM 1193 C LYS A 76 16.967 15.428 1.459 1.00 0.31 C ATOM 1194 O LYS A 76 17.509 16.148 2.273 1.00 0.42 O ATOM 1195 CB LYS A 76 17.607 15.780 -0.962 1.00 0.34 C ATOM 1196 CG LYS A 76 18.861 16.664 -1.259 1.00 0.45 C ATOM 1197 CD LYS A 76 19.004 17.760 -0.159 1.00 1.51 C ATOM 1198 CE LYS A 76 20.134 18.757 -0.469 1.00 1.72 C ATOM 1199 NZ LYS A 76 21.435 18.025 -0.547 1.00 0.85 N ATOM 0 H LYS A 76 16.465 13.534 -0.687 1.00 0.24 H new ATOM 0 HA LYS A 76 18.832 14.884 0.569 1.00 0.31 H new ATOM 0 HB2 LYS A 76 17.400 15.149 -1.826 1.00 0.34 H new ATOM 0 HB3 LYS A 76 16.739 16.424 -0.822 1.00 0.34 H new ATOM 0 HG2 LYS A 76 19.757 16.044 -1.287 1.00 0.45 H new ATOM 0 HG3 LYS A 76 18.766 17.130 -2.240 1.00 0.45 H new ATOM 0 HD2 LYS A 76 18.062 18.300 -0.064 1.00 1.51 H new ATOM 0 HD3 LYS A 76 19.197 17.283 0.802 1.00 1.51 H new ATOM 0 HE2 LYS A 76 19.935 19.268 -1.411 1.00 1.72 H new ATOM 0 HE3 LYS A 76 20.181 19.523 0.305 1.00 1.72 H new ATOM 0 HZ1 LYS A 76 22.162 18.552 -0.021 1.00 0.85 H new ATOM 0 HZ2 LYS A 76 21.326 17.078 -0.132 1.00 0.85 H new ATOM 0 HZ3 LYS A 76 21.724 17.936 -1.542 1.00 0.85 H new ATOM 1213 N VAL A 77 15.704 15.091 1.570 1.00 0.21 N ATOM 1214 CA VAL A 77 14.872 15.585 2.711 1.00 0.19 C ATOM 1215 C VAL A 77 15.621 15.307 3.996 1.00 0.30 C ATOM 1216 O VAL A 77 15.637 16.091 4.924 1.00 0.33 O ATOM 1217 CB VAL A 77 13.546 14.824 2.648 1.00 0.16 C ATOM 1218 CG1 VAL A 77 13.185 14.124 3.936 1.00 0.45 C ATOM 1219 CG2 VAL A 77 12.500 15.796 2.215 1.00 0.24 C ATOM 0 H VAL A 77 15.210 14.489 0.912 1.00 0.21 H new ATOM 0 HA VAL A 77 14.676 16.656 2.663 1.00 0.19 H new ATOM 0 HB VAL A 77 13.633 14.009 1.929 1.00 0.16 H new ATOM 0 HG11 VAL A 77 12.233 13.607 3.815 1.00 0.45 H new ATOM 0 HG12 VAL A 77 13.961 13.401 4.187 1.00 0.45 H new ATOM 0 HG13 VAL A 77 13.099 14.858 4.737 1.00 0.45 H new ATOM 0 HG21 VAL A 77 11.536 15.291 2.157 1.00 0.24 H new ATOM 0 HG22 VAL A 77 12.440 16.611 2.936 1.00 0.24 H new ATOM 0 HG23 VAL A 77 12.759 16.197 1.235 1.00 0.24 H new ATOM 1229 N GLU A 78 16.201 14.140 3.996 1.00 0.39 N ATOM 1230 CA GLU A 78 17.013 13.675 5.173 1.00 0.55 C ATOM 1231 C GLU A 78 17.896 14.786 5.788 1.00 0.60 C ATOM 1232 O GLU A 78 18.178 14.744 6.972 1.00 0.86 O ATOM 1233 CB GLU A 78 17.840 12.466 4.735 1.00 0.65 C ATOM 1234 CG GLU A 78 18.662 11.902 5.945 1.00 1.12 C ATOM 1235 CD GLU A 78 17.790 11.593 7.176 1.00 0.58 C ATOM 1236 OE1 GLU A 78 16.809 10.897 6.967 1.00 0.62 O ATOM 1237 OE2 GLU A 78 18.138 12.060 8.254 1.00 1.18 O ATOM 0 H GLU A 78 16.151 13.475 3.224 1.00 0.39 H new ATOM 0 HA GLU A 78 16.331 13.392 5.975 1.00 0.55 H new ATOM 0 HB2 GLU A 78 17.183 11.691 4.340 1.00 0.65 H new ATOM 0 HB3 GLU A 78 18.516 12.752 3.929 1.00 0.65 H new ATOM 0 HG2 GLU A 78 19.177 10.993 5.634 1.00 1.12 H new ATOM 0 HG3 GLU A 78 19.430 12.624 6.223 1.00 1.12 H new ATOM 1244 N GLU A 79 18.299 15.724 4.971 1.00 0.47 N ATOM 1245 CA GLU A 79 19.148 16.872 5.412 1.00 0.49 C ATOM 1246 C GLU A 79 18.211 17.784 6.246 1.00 0.43 C ATOM 1247 O GLU A 79 18.517 18.178 7.357 1.00 0.48 O ATOM 1248 CB GLU A 79 19.748 17.553 4.126 1.00 0.51 C ATOM 1249 CG GLU A 79 20.891 16.629 3.534 1.00 0.51 C ATOM 1250 CD GLU A 79 21.552 17.156 2.241 1.00 1.13 C ATOM 1251 OE1 GLU A 79 21.930 18.316 2.155 1.00 1.32 O ATOM 1252 OE2 GLU A 79 21.671 16.351 1.329 1.00 2.00 O ATOM 0 H GLU A 79 18.065 15.741 3.978 1.00 0.47 H new ATOM 0 HA GLU A 79 20.002 16.599 6.032 1.00 0.49 H new ATOM 0 HB2 GLU A 79 18.966 17.706 3.382 1.00 0.51 H new ATOM 0 HB3 GLU A 79 20.150 18.536 4.374 1.00 0.51 H new ATOM 0 HG2 GLU A 79 21.663 16.501 4.293 1.00 0.51 H new ATOM 0 HG3 GLU A 79 20.473 15.642 3.334 1.00 0.51 H new ATOM 1259 N LEU A 80 17.067 18.101 5.701 1.00 0.32 N ATOM 1260 CA LEU A 80 16.075 18.963 6.399 1.00 0.28 C ATOM 1261 C LEU A 80 15.716 18.339 7.703 1.00 0.46 C ATOM 1262 O LEU A 80 15.625 19.005 8.713 1.00 0.52 O ATOM 1263 CB LEU A 80 14.945 19.100 5.505 1.00 0.15 C ATOM 1264 CG LEU A 80 15.484 19.730 4.213 1.00 0.24 C ATOM 1265 CD1 LEU A 80 14.276 20.084 3.530 1.00 0.30 C ATOM 1266 CD2 LEU A 80 16.323 21.001 4.488 1.00 0.47 C ATOM 0 H LEU A 80 16.773 17.788 4.776 1.00 0.32 H new ATOM 0 HA LEU A 80 16.465 19.954 6.631 1.00 0.28 H new ATOM 0 HB2 LEU A 80 14.490 18.130 5.303 1.00 0.15 H new ATOM 0 HB3 LEU A 80 14.173 19.728 5.950 1.00 0.15 H new ATOM 0 HG LEU A 80 16.146 19.062 3.662 1.00 0.24 H new ATOM 0 HD11 LEU A 80 14.521 20.551 2.576 1.00 0.30 H new ATOM 0 HD12 LEU A 80 13.682 19.187 3.353 1.00 0.30 H new ATOM 0 HD13 LEU A 80 13.704 20.783 4.140 1.00 0.30 H new ATOM 0 HD21 LEU A 80 16.683 21.411 3.544 1.00 0.47 H new ATOM 0 HD22 LEU A 80 15.705 21.743 4.994 1.00 0.47 H new ATOM 0 HD23 LEU A 80 17.173 20.746 5.120 1.00 0.47 H new ATOM 1278 N LYS A 81 15.516 17.058 7.616 1.00 0.56 N ATOM 1279 CA LYS A 81 15.160 16.231 8.813 1.00 0.79 C ATOM 1280 C LYS A 81 16.135 16.578 9.979 1.00 0.84 C ATOM 1281 O LYS A 81 15.844 16.391 11.141 1.00 0.95 O ATOM 1282 CB LYS A 81 15.356 14.820 8.349 1.00 1.07 C ATOM 1283 CG LYS A 81 14.460 13.810 9.124 1.00 0.90 C ATOM 1284 CD LYS A 81 14.789 12.425 8.504 1.00 1.38 C ATOM 1285 CE LYS A 81 13.862 11.282 8.923 1.00 1.40 C ATOM 1286 NZ LYS A 81 14.409 10.047 8.256 1.00 2.66 N ATOM 0 H LYS A 81 15.585 16.530 6.746 1.00 0.56 H new ATOM 0 HA LYS A 81 14.148 16.401 9.181 1.00 0.79 H new ATOM 0 HB2 LYS A 81 15.133 14.756 7.284 1.00 1.07 H new ATOM 0 HB3 LYS A 81 16.403 14.542 8.473 1.00 1.07 H new ATOM 0 HG2 LYS A 81 14.679 13.827 10.192 1.00 0.90 H new ATOM 0 HG3 LYS A 81 13.403 14.052 9.011 1.00 0.90 H new ATOM 0 HD2 LYS A 81 14.759 12.515 7.418 1.00 1.38 H new ATOM 0 HD3 LYS A 81 15.811 12.159 8.773 1.00 1.38 H new ATOM 0 HE2 LYS A 81 13.847 11.167 10.007 1.00 1.40 H new ATOM 0 HE3 LYS A 81 12.836 11.475 8.609 1.00 1.40 H new ATOM 0 HZ1 LYS A 81 13.712 9.683 7.575 1.00 2.66 H new ATOM 0 HZ2 LYS A 81 15.290 10.283 7.757 1.00 2.66 H new ATOM 0 HZ3 LYS A 81 14.603 9.321 8.975 1.00 2.66 H new ATOM 1300 N LYS A 82 17.285 17.072 9.599 1.00 0.85 N ATOM 1301 CA LYS A 82 18.351 17.471 10.579 1.00 1.05 C ATOM 1302 C LYS A 82 18.337 18.989 10.814 1.00 0.96 C ATOM 1303 O LYS A 82 18.251 19.434 11.936 1.00 0.98 O ATOM 1304 CB LYS A 82 19.747 17.039 10.039 1.00 1.28 C ATOM 1305 CG LYS A 82 19.965 15.546 10.301 1.00 0.93 C ATOM 1306 CD LYS A 82 21.300 15.109 9.610 1.00 1.55 C ATOM 1307 CE LYS A 82 21.020 14.709 8.170 1.00 2.05 C ATOM 1308 NZ LYS A 82 20.177 13.484 8.277 1.00 1.20 N ATOM 0 H LYS A 82 17.540 17.221 8.623 1.00 0.85 H new ATOM 0 HA LYS A 82 18.152 16.972 11.527 1.00 1.05 H new ATOM 0 HB2 LYS A 82 19.813 17.244 8.970 1.00 1.28 H new ATOM 0 HB3 LYS A 82 20.531 17.621 10.524 1.00 1.28 H new ATOM 0 HG2 LYS A 82 20.012 15.353 11.373 1.00 0.93 H new ATOM 0 HG3 LYS A 82 19.129 14.967 9.909 1.00 0.93 H new ATOM 0 HD2 LYS A 82 22.020 15.926 9.638 1.00 1.55 H new ATOM 0 HD3 LYS A 82 21.745 14.274 10.151 1.00 1.55 H new ATOM 0 HE2 LYS A 82 20.500 15.502 7.632 1.00 2.05 H new ATOM 0 HE3 LYS A 82 21.944 14.508 7.628 1.00 2.05 H new ATOM 0 HZ1 LYS A 82 20.627 12.706 7.753 1.00 1.20 H new ATOM 0 HZ2 LYS A 82 20.079 13.216 9.277 1.00 1.20 H new ATOM 0 HZ3 LYS A 82 19.237 13.674 7.875 1.00 1.20 H new ATOM 1322 N LYS A 83 18.440 19.734 9.744 1.00 0.90 N ATOM 1323 CA LYS A 83 18.442 21.234 9.788 1.00 0.89 C ATOM 1324 C LYS A 83 17.251 21.729 10.644 1.00 0.57 C ATOM 1325 O LYS A 83 17.346 22.527 11.554 1.00 0.52 O ATOM 1326 CB LYS A 83 18.465 21.708 8.302 1.00 0.89 C ATOM 1327 CG LYS A 83 19.229 23.045 8.186 1.00 0.93 C ATOM 1328 CD LYS A 83 19.631 23.282 6.697 1.00 1.70 C ATOM 1329 CE LYS A 83 20.466 24.566 6.560 1.00 1.82 C ATOM 1330 NZ LYS A 83 20.692 24.862 5.104 1.00 2.38 N ATOM 0 H LYS A 83 18.526 19.351 8.803 1.00 0.90 H new ATOM 0 HA LYS A 83 19.312 21.667 10.282 1.00 0.89 H new ATOM 0 HB2 LYS A 83 18.942 20.952 7.678 1.00 0.89 H new ATOM 0 HB3 LYS A 83 17.446 21.829 7.934 1.00 0.89 H new ATOM 0 HG2 LYS A 83 18.605 23.865 8.541 1.00 0.93 H new ATOM 0 HG3 LYS A 83 20.118 23.025 8.816 1.00 0.93 H new ATOM 0 HD2 LYS A 83 20.202 22.430 6.329 1.00 1.70 H new ATOM 0 HD3 LYS A 83 18.735 23.357 6.080 1.00 1.70 H new ATOM 0 HE2 LYS A 83 19.951 25.400 7.036 1.00 1.82 H new ATOM 0 HE3 LYS A 83 21.422 24.448 7.071 1.00 1.82 H new ATOM 0 HZ1 LYS A 83 21.680 25.152 4.958 1.00 2.38 H new ATOM 0 HZ2 LYS A 83 20.494 24.010 4.542 1.00 2.38 H new ATOM 0 HZ3 LYS A 83 20.058 25.630 4.803 1.00 2.38 H new ATOM 1344 N TYR A 84 16.143 21.180 10.269 1.00 0.34 N ATOM 1345 CA TYR A 84 14.843 21.458 10.920 1.00 0.23 C ATOM 1346 C TYR A 84 14.316 20.247 11.699 1.00 0.52 C ATOM 1347 O TYR A 84 14.041 20.353 12.878 1.00 0.86 O ATOM 1348 CB TYR A 84 13.880 21.760 9.786 1.00 0.35 C ATOM 1349 CG TYR A 84 14.457 22.863 8.917 1.00 0.50 C ATOM 1350 CD1 TYR A 84 14.910 24.015 9.530 1.00 1.43 C ATOM 1351 CD2 TYR A 84 14.517 22.760 7.539 1.00 1.21 C ATOM 1352 CE1 TYR A 84 15.404 25.047 8.794 1.00 1.56 C ATOM 1353 CE2 TYR A 84 15.016 23.811 6.829 1.00 1.49 C ATOM 1354 CZ TYR A 84 15.457 24.957 7.443 1.00 1.22 C ATOM 1355 OH TYR A 84 15.915 26.033 6.727 1.00 1.64 O ATOM 0 H TYR A 84 16.082 20.515 9.498 1.00 0.34 H new ATOM 0 HA TYR A 84 14.948 22.276 11.633 1.00 0.23 H new ATOM 0 HB2 TYR A 84 13.710 20.863 9.190 1.00 0.35 H new ATOM 0 HB3 TYR A 84 12.913 22.065 10.186 1.00 0.35 H new ATOM 0 HD1 TYR A 84 14.872 24.097 10.606 1.00 1.43 H new ATOM 0 HD2 TYR A 84 14.176 21.867 7.037 1.00 1.21 H new ATOM 0 HE1 TYR A 84 15.755 25.941 9.288 1.00 1.56 H new ATOM 0 HE2 TYR A 84 15.066 23.740 5.752 1.00 1.49 H new ATOM 0 HH TYR A 84 16.787 25.818 6.334 1.00 1.64 H new ATOM 1365 N GLY A 85 14.192 19.123 11.038 1.00 0.55 N ATOM 1366 CA GLY A 85 13.674 17.901 11.729 1.00 0.87 C ATOM 1367 C GLY A 85 12.299 18.153 12.291 1.00 0.79 C ATOM 1368 O GLY A 85 11.549 18.972 11.817 1.00 0.81 O ATOM 0 H GLY A 85 14.426 18.998 10.053 1.00 0.55 H new ATOM 0 HA2 GLY A 85 13.639 17.067 11.028 1.00 0.87 H new ATOM 0 HA3 GLY A 85 14.354 17.614 12.531 1.00 0.87 H new ATOM 1372 N ILE A 86 11.997 17.417 13.299 1.00 0.95 N ATOM 1373 CA ILE A 86 10.739 17.480 14.013 1.00 1.11 C ATOM 1374 C ILE A 86 11.306 18.013 15.363 1.00 1.60 C ATOM 1375 O ILE A 86 10.811 18.978 15.903 1.00 1.61 O ATOM 1376 CB ILE A 86 10.194 16.053 13.974 1.00 1.05 C ATOM 1377 CG1 ILE A 86 9.449 15.908 15.238 1.00 2.43 C ATOM 1378 CG2 ILE A 86 11.295 14.936 13.884 1.00 1.63 C ATOM 1379 CD1 ILE A 86 8.251 15.011 14.959 1.00 2.42 C ATOM 1380 OXT ILE A 86 12.280 17.432 15.821 1.00 2.27 O ATOM 0 H ILE A 86 12.637 16.719 13.678 1.00 0.95 H new ATOM 0 HA ILE A 86 9.899 18.089 13.680 1.00 1.11 H new ATOM 0 HB ILE A 86 9.593 15.917 13.075 1.00 1.05 H new ATOM 0 HG12 ILE A 86 10.083 15.472 16.010 1.00 2.43 H new ATOM 0 HG13 ILE A 86 9.123 16.881 15.605 1.00 2.43 H new ATOM 0 HG21 ILE A 86 10.818 13.956 13.861 1.00 1.63 H new ATOM 0 HG22 ILE A 86 11.881 15.075 12.976 1.00 1.63 H new ATOM 0 HG23 ILE A 86 11.950 15.000 14.752 1.00 1.63 H new ATOM 0 HD11 ILE A 86 7.674 14.880 15.874 1.00 2.42 H new ATOM 0 HD12 ILE A 86 7.623 15.470 14.196 1.00 2.42 H new ATOM 0 HD13 ILE A 86 8.598 14.040 14.607 1.00 2.42 H new