USER MOD reduce.3.24.130724 H: found=0, std=0, add=614, rem=0, adj=27 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 -74:sc= 1.83! USER MOD Set 1.2: A 30 HIS : no HE2:sc= -0.265 K(o=1.6,f=-11!) USER MOD Set 2.1: A 13 LYS NZ :NH3+ -122:sc= -11.2! (180deg=-2.79) USER MOD Set 2.2: A 14 HIS : no HE2:sc= -7.65! C(o=-19!,f=-20!) USER MOD Single : A 7 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.588) USER MOD Single : A 16 LYS NZ :NH3+ 135:sc= -4.52! (180deg=-6.11!) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ -125:sc= 1.57 (180deg=0.885) USER MOD Single : A 24 MET CE :methyl -131:sc= -0.0548 (180deg=-2.44!) USER MOD Single : A 28 TYR OH : rot -104:sc= 1.25! USER MOD Single : A 31 TYR OH : rot -22:sc= 0.808 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -3.25! C(o=-3.3!,f=-14!) USER MOD Single : A 35 THR OG1 : rot -96:sc= 0.554 USER MOD Single : A 40 ASN : amide:sc= 0.103 K(o=0.1,f=-10!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.166! USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -163:sc= -0.0548 (180deg=-0.448) USER MOD Single : A 59 ASN :FLIP amide:sc= -6.29! C(o=-7.3!,f=-6.3!) USER MOD Single : A 62 LYS NZ :NH3+ -110:sc= -1.75! (180deg=-3.75!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0.0606 USER MOD Single : A 66 LYS NZ :NH3+ 153:sc= -0.116 (180deg=-1.18) USER MOD Single : A 70 MET CE :methyl 150:sc= -3.34 (180deg=-5.27!) USER MOD Single : A 71 LYS NZ :NH3+ -126:sc= -0.698! (180deg=-5.77!) USER MOD Single : A 73 TYR OH : rot 103:sc= -1.12! USER MOD Single : A 76 LYS NZ :NH3+ 150:sc= 1.02 (180deg=-0.0293) USER MOD Single : A 81 LYS NZ :NH3+ -122:sc= -0.537 (180deg=-2.97!) USER MOD Single : A 82 LYS NZ :NH3+ -111:sc= 1.26 (180deg=-0.259) USER MOD Single : A 83 LYS NZ :NH3+ -136:sc= 2.14 (180deg=0.423) USER MOD Single : A 84 TYR OH : rot -143:sc= 1.2 USER MOD ----------------------------------------------------------------- ATOM 41 N GLU A 4 8.766 6.763 -0.227 1.00 0.44 N ATOM 42 CA GLU A 4 8.623 7.526 1.042 1.00 0.53 C ATOM 43 C GLU A 4 8.518 8.987 0.616 1.00 0.44 C ATOM 44 O GLU A 4 8.395 9.878 1.415 1.00 0.45 O ATOM 45 CB GLU A 4 9.724 7.237 2.038 1.00 0.58 C ATOM 46 CG GLU A 4 11.086 7.729 1.580 1.00 0.58 C ATOM 47 CD GLU A 4 11.804 6.815 0.575 1.00 1.47 C ATOM 48 OE1 GLU A 4 11.514 6.901 -0.611 1.00 2.69 O ATOM 49 OE2 GLU A 4 12.620 6.065 1.078 1.00 1.73 O ATOM 0 HA GLU A 4 7.735 7.228 1.599 1.00 0.53 H new ATOM 0 HB2 GLU A 4 9.476 7.706 2.990 1.00 0.58 H new ATOM 0 HB3 GLU A 4 9.773 6.163 2.215 1.00 0.58 H new ATOM 0 HG2 GLU A 4 10.967 8.715 1.130 1.00 0.58 H new ATOM 0 HG3 GLU A 4 11.724 7.853 2.455 1.00 0.58 H new ATOM 56 N PHE A 5 8.583 9.212 -0.656 1.00 0.40 N ATOM 57 CA PHE A 5 8.493 10.573 -1.217 1.00 0.40 C ATOM 58 C PHE A 5 7.365 11.474 -0.757 1.00 0.36 C ATOM 59 O PHE A 5 7.626 12.526 -0.212 1.00 0.36 O ATOM 60 CB PHE A 5 8.458 10.341 -2.713 1.00 0.38 C ATOM 61 CG PHE A 5 8.265 11.655 -3.463 1.00 0.35 C ATOM 62 CD1 PHE A 5 9.310 12.474 -3.826 1.00 0.94 C ATOM 63 CD2 PHE A 5 6.986 12.038 -3.769 1.00 0.98 C ATOM 64 CE1 PHE A 5 9.082 13.648 -4.477 1.00 0.96 C ATOM 65 CE2 PHE A 5 6.741 13.207 -4.425 1.00 0.96 C ATOM 66 CZ PHE A 5 7.790 14.018 -4.781 1.00 0.32 C ATOM 0 H PHE A 5 8.699 8.479 -1.355 1.00 0.40 H new ATOM 0 HA PHE A 5 9.342 11.151 -0.852 1.00 0.40 H new ATOM 0 HB2 PHE A 5 9.386 9.868 -3.033 1.00 0.38 H new ATOM 0 HB3 PHE A 5 7.648 9.654 -2.960 1.00 0.38 H new ATOM 0 HD1 PHE A 5 10.323 12.182 -3.592 1.00 0.94 H new ATOM 0 HD2 PHE A 5 6.159 11.404 -3.486 1.00 0.98 H new ATOM 0 HE1 PHE A 5 9.909 14.285 -4.753 1.00 0.96 H new ATOM 0 HE2 PHE A 5 5.727 13.494 -4.663 1.00 0.96 H new ATOM 0 HZ PHE A 5 7.602 14.947 -5.300 1.00 0.32 H new ATOM 76 N ASP A 6 6.150 11.070 -0.967 1.00 0.30 N ATOM 77 CA ASP A 6 5.050 11.946 -0.519 1.00 0.22 C ATOM 78 C ASP A 6 5.181 12.170 0.986 1.00 0.13 C ATOM 79 O ASP A 6 4.709 13.128 1.554 1.00 0.13 O ATOM 80 CB ASP A 6 3.822 11.386 -1.125 1.00 0.24 C ATOM 81 CG ASP A 6 3.741 11.924 -2.552 1.00 0.24 C ATOM 82 OD1 ASP A 6 3.611 13.137 -2.660 1.00 0.66 O ATOM 83 OD2 ASP A 6 3.829 11.101 -3.446 1.00 1.07 O ATOM 0 H ASP A 6 5.878 10.196 -1.417 1.00 0.30 H new ATOM 0 HA ASP A 6 5.049 12.981 -0.860 1.00 0.22 H new ATOM 0 HB2 ASP A 6 3.855 10.296 -1.125 1.00 0.24 H new ATOM 0 HB3 ASP A 6 2.942 11.678 -0.552 1.00 0.24 H new ATOM 88 N LYS A 7 5.885 11.232 1.563 1.00 0.17 N ATOM 89 CA LYS A 7 6.145 11.263 3.014 1.00 0.25 C ATOM 90 C LYS A 7 7.152 12.397 3.189 1.00 0.25 C ATOM 91 O LYS A 7 6.915 13.316 3.948 1.00 0.27 O ATOM 92 CB LYS A 7 6.646 9.890 3.434 1.00 0.22 C ATOM 93 CG LYS A 7 5.753 9.184 4.481 1.00 0.83 C ATOM 94 CD LYS A 7 5.910 7.642 4.254 1.00 2.32 C ATOM 95 CE LYS A 7 5.123 7.249 2.982 1.00 4.11 C ATOM 96 NZ LYS A 7 5.554 5.891 2.512 1.00 5.67 N ATOM 0 H LYS A 7 6.294 10.436 1.073 1.00 0.17 H new ATOM 0 HA LYS A 7 5.279 11.456 3.647 1.00 0.25 H new ATOM 0 HB2 LYS A 7 6.721 9.257 2.550 1.00 0.22 H new ATOM 0 HB3 LYS A 7 7.653 9.991 3.840 1.00 0.22 H new ATOM 0 HG2 LYS A 7 6.055 9.457 5.492 1.00 0.83 H new ATOM 0 HG3 LYS A 7 4.712 9.486 4.366 1.00 0.83 H new ATOM 0 HD2 LYS A 7 6.962 7.381 4.144 1.00 2.32 H new ATOM 0 HD3 LYS A 7 5.534 7.092 5.117 1.00 2.32 H new ATOM 0 HE2 LYS A 7 4.053 7.248 3.192 1.00 4.11 H new ATOM 0 HE3 LYS A 7 5.293 7.986 2.197 1.00 4.11 H new ATOM 0 HZ1 LYS A 7 5.389 5.809 1.488 1.00 5.67 H new ATOM 0 HZ2 LYS A 7 6.566 5.760 2.711 1.00 5.67 H new ATOM 0 HZ3 LYS A 7 5.006 5.161 3.010 1.00 5.67 H new ATOM 110 N ALA A 8 8.242 12.314 2.466 1.00 0.28 N ATOM 111 CA ALA A 8 9.283 13.368 2.560 1.00 0.25 C ATOM 112 C ALA A 8 8.576 14.714 2.458 1.00 0.24 C ATOM 113 O ALA A 8 8.707 15.560 3.316 1.00 0.29 O ATOM 114 CB ALA A 8 10.262 13.136 1.410 1.00 0.23 C ATOM 0 H ALA A 8 8.450 11.557 1.815 1.00 0.28 H new ATOM 0 HA ALA A 8 9.840 13.345 3.497 1.00 0.25 H new ATOM 0 HB1 ALA A 8 11.047 13.892 1.442 1.00 0.23 H new ATOM 0 HB2 ALA A 8 10.708 12.146 1.506 1.00 0.23 H new ATOM 0 HB3 ALA A 8 9.731 13.204 0.461 1.00 0.23 H new ATOM 120 N ALA A 9 7.835 14.815 1.404 1.00 0.19 N ATOM 121 CA ALA A 9 7.045 16.043 1.085 1.00 0.19 C ATOM 122 C ALA A 9 6.168 16.476 2.239 1.00 0.20 C ATOM 123 O ALA A 9 6.278 17.575 2.744 1.00 0.23 O ATOM 124 CB ALA A 9 6.125 15.722 -0.109 1.00 0.15 C ATOM 0 H ALA A 9 7.734 14.069 0.715 1.00 0.19 H new ATOM 0 HA ALA A 9 7.747 16.848 0.867 1.00 0.19 H new ATOM 0 HB1 ALA A 9 5.536 16.604 -0.362 1.00 0.15 H new ATOM 0 HB2 ALA A 9 6.731 15.431 -0.967 1.00 0.15 H new ATOM 0 HB3 ALA A 9 5.456 14.903 0.157 1.00 0.15 H new ATOM 130 N GLU A 10 5.328 15.553 2.601 1.00 0.21 N ATOM 131 CA GLU A 10 4.362 15.727 3.698 1.00 0.25 C ATOM 132 C GLU A 10 5.058 16.316 4.909 1.00 0.30 C ATOM 133 O GLU A 10 4.562 17.281 5.467 1.00 0.43 O ATOM 134 CB GLU A 10 3.791 14.343 3.961 1.00 0.23 C ATOM 135 CG GLU A 10 2.808 14.353 5.143 1.00 0.54 C ATOM 136 CD GLU A 10 2.295 12.931 5.313 1.00 0.52 C ATOM 137 OE1 GLU A 10 1.350 12.581 4.626 1.00 1.04 O ATOM 138 OE2 GLU A 10 2.913 12.279 6.135 1.00 1.48 O ATOM 0 H GLU A 10 5.276 14.639 2.151 1.00 0.21 H new ATOM 0 HA GLU A 10 3.559 16.422 3.452 1.00 0.25 H new ATOM 0 HB2 GLU A 10 3.282 13.982 3.067 1.00 0.23 H new ATOM 0 HB3 GLU A 10 4.604 13.647 4.168 1.00 0.23 H new ATOM 0 HG2 GLU A 10 3.303 14.695 6.052 1.00 0.54 H new ATOM 0 HG3 GLU A 10 1.983 15.039 4.952 1.00 0.54 H new ATOM 145 N GLU A 11 6.179 15.725 5.241 1.00 0.25 N ATOM 146 CA GLU A 11 6.996 16.152 6.394 1.00 0.32 C ATOM 147 C GLU A 11 7.636 17.488 6.213 1.00 0.38 C ATOM 148 O GLU A 11 7.452 18.406 6.992 1.00 0.50 O ATOM 149 CB GLU A 11 8.038 15.088 6.662 1.00 0.29 C ATOM 150 CG GLU A 11 7.545 14.106 7.760 1.00 0.65 C ATOM 151 CD GLU A 11 8.712 13.418 8.450 1.00 1.07 C ATOM 152 OE1 GLU A 11 9.616 14.098 8.913 1.00 2.25 O ATOM 153 OE2 GLU A 11 8.667 12.204 8.497 1.00 0.49 O ATOM 0 H GLU A 11 6.567 14.932 4.731 1.00 0.25 H new ATOM 0 HA GLU A 11 6.331 16.267 7.250 1.00 0.32 H new ATOM 0 HB2 GLU A 11 8.250 14.539 5.744 1.00 0.29 H new ATOM 0 HB3 GLU A 11 8.971 15.556 6.977 1.00 0.29 H new ATOM 0 HG2 GLU A 11 6.953 14.649 8.497 1.00 0.65 H new ATOM 0 HG3 GLU A 11 6.891 13.357 7.314 1.00 0.65 H new ATOM 160 N VAL A 12 8.381 17.586 5.170 1.00 0.32 N ATOM 161 CA VAL A 12 9.074 18.842 4.878 1.00 0.37 C ATOM 162 C VAL A 12 8.130 20.057 4.902 1.00 0.47 C ATOM 163 O VAL A 12 8.399 21.060 5.534 1.00 0.49 O ATOM 164 CB VAL A 12 9.839 18.570 3.568 1.00 0.28 C ATOM 165 CG1 VAL A 12 9.147 19.088 2.351 1.00 0.32 C ATOM 166 CG2 VAL A 12 11.297 18.962 3.658 1.00 0.26 C ATOM 0 H VAL A 12 8.541 16.836 4.497 1.00 0.32 H new ATOM 0 HA VAL A 12 9.788 19.138 5.646 1.00 0.37 H new ATOM 0 HB VAL A 12 9.833 17.488 3.438 1.00 0.28 H new ATOM 0 HG11 VAL A 12 9.744 18.860 1.468 1.00 0.32 H new ATOM 0 HG12 VAL A 12 8.169 18.615 2.260 1.00 0.32 H new ATOM 0 HG13 VAL A 12 9.022 20.167 2.435 1.00 0.32 H new ATOM 0 HG21 VAL A 12 11.790 18.750 2.709 1.00 0.26 H new ATOM 0 HG22 VAL A 12 11.375 20.027 3.877 1.00 0.26 H new ATOM 0 HG23 VAL A 12 11.779 18.392 4.453 1.00 0.26 H new ATOM 176 N LYS A 13 7.027 19.952 4.214 1.00 0.56 N ATOM 177 CA LYS A 13 6.057 21.089 4.197 1.00 0.65 C ATOM 178 C LYS A 13 5.448 21.426 5.589 1.00 0.70 C ATOM 179 O LYS A 13 4.659 22.340 5.703 1.00 0.78 O ATOM 180 CB LYS A 13 4.982 20.906 3.076 1.00 1.00 C ATOM 181 CG LYS A 13 4.262 19.545 3.167 1.00 1.01 C ATOM 182 CD LYS A 13 2.734 19.684 3.402 1.00 1.82 C ATOM 183 CE LYS A 13 2.398 20.368 4.724 1.00 3.26 C ATOM 184 NZ LYS A 13 3.042 19.574 5.807 1.00 4.29 N ATOM 0 H LYS A 13 6.754 19.136 3.666 1.00 0.56 H new ATOM 0 HA LYS A 13 6.635 21.978 3.943 1.00 0.65 H new ATOM 0 HB2 LYS A 13 4.247 21.708 3.147 1.00 1.00 H new ATOM 0 HB3 LYS A 13 5.460 20.997 2.100 1.00 1.00 H new ATOM 0 HG2 LYS A 13 4.434 18.987 2.247 1.00 1.01 H new ATOM 0 HG3 LYS A 13 4.698 18.963 3.979 1.00 1.01 H new ATOM 0 HD2 LYS A 13 2.295 20.253 2.582 1.00 1.82 H new ATOM 0 HD3 LYS A 13 2.277 18.695 3.384 1.00 1.82 H new ATOM 0 HE2 LYS A 13 2.764 21.395 4.730 1.00 3.26 H new ATOM 0 HE3 LYS A 13 1.319 20.414 4.870 1.00 3.26 H new ATOM 0 HZ1 LYS A 13 2.317 19.253 6.480 1.00 4.29 H new ATOM 0 HZ2 LYS A 13 3.521 18.748 5.394 1.00 4.29 H new ATOM 0 HZ3 LYS A 13 3.738 20.165 6.304 1.00 4.29 H new ATOM 198 N HIS A 14 5.786 20.691 6.622 1.00 0.66 N ATOM 199 CA HIS A 14 5.245 20.966 8.004 1.00 0.80 C ATOM 200 C HIS A 14 6.286 21.499 8.991 1.00 0.87 C ATOM 201 O HIS A 14 5.986 22.365 9.794 1.00 1.08 O ATOM 202 CB HIS A 14 4.923 19.620 8.766 1.00 0.62 C ATOM 203 CG HIS A 14 3.622 18.922 8.400 1.00 1.16 C ATOM 204 ND1 HIS A 14 3.559 17.854 7.688 1.00 1.23 N ATOM 205 CD2 HIS A 14 2.299 19.194 8.704 1.00 1.77 C ATOM 206 CE1 HIS A 14 2.327 17.470 7.547 1.00 1.83 C ATOM 207 NE2 HIS A 14 1.508 18.282 8.168 1.00 2.17 N ATOM 0 H HIS A 14 6.425 19.897 6.571 1.00 0.66 H new ATOM 0 HA HIS A 14 4.418 21.645 7.794 1.00 0.80 H new ATOM 0 HB2 HIS A 14 5.744 18.925 8.590 1.00 0.62 H new ATOM 0 HB3 HIS A 14 4.907 19.830 9.835 1.00 0.62 H new ATOM 0 HD1 HIS A 14 4.366 17.374 7.289 1.00 1.23 H new ATOM 0 HD2 HIS A 14 1.962 20.032 9.295 1.00 1.77 H new ATOM 0 HE1 HIS A 14 2.018 16.597 6.991 1.00 1.83 H new ATOM 215 N LEU A 15 7.470 20.964 8.831 1.00 0.75 N ATOM 216 CA LEU A 15 8.630 21.273 9.684 1.00 0.78 C ATOM 217 C LEU A 15 8.612 22.408 10.692 1.00 0.76 C ATOM 218 O LEU A 15 8.236 23.539 10.443 1.00 0.90 O ATOM 219 CB LEU A 15 9.775 21.550 8.766 1.00 0.82 C ATOM 220 CG LEU A 15 10.070 20.365 7.868 1.00 0.79 C ATOM 221 CD1 LEU A 15 11.104 20.833 6.931 1.00 0.97 C ATOM 222 CD2 LEU A 15 10.552 19.146 8.598 1.00 0.74 C ATOM 0 H LEU A 15 7.677 20.287 8.096 1.00 0.75 H new ATOM 0 HA LEU A 15 8.670 20.394 10.328 1.00 0.78 H new ATOM 0 HB2 LEU A 15 9.548 22.423 8.154 1.00 0.82 H new ATOM 0 HB3 LEU A 15 10.661 21.793 9.352 1.00 0.82 H new ATOM 0 HG LEU A 15 9.150 20.046 7.377 1.00 0.79 H new ATOM 0 HD11 LEU A 15 11.368 20.026 6.248 1.00 0.97 H new ATOM 0 HD12 LEU A 15 10.722 21.680 6.361 1.00 0.97 H new ATOM 0 HD13 LEU A 15 11.988 21.140 7.489 1.00 0.97 H new ATOM 0 HD21 LEU A 15 10.740 18.345 7.883 1.00 0.74 H new ATOM 0 HD22 LEU A 15 11.474 19.381 9.130 1.00 0.74 H new ATOM 0 HD23 LEU A 15 9.793 18.825 9.312 1.00 0.74 H new ATOM 234 N LYS A 16 9.047 21.979 11.844 1.00 0.59 N ATOM 235 CA LYS A 16 9.166 22.850 13.059 1.00 0.53 C ATOM 236 C LYS A 16 9.663 24.224 12.684 1.00 0.63 C ATOM 237 O LYS A 16 9.142 25.242 13.081 1.00 0.79 O ATOM 238 CB LYS A 16 10.198 22.249 14.020 1.00 0.62 C ATOM 239 CG LYS A 16 9.657 21.002 14.711 1.00 1.10 C ATOM 240 CD LYS A 16 10.820 20.529 15.638 1.00 1.09 C ATOM 241 CE LYS A 16 10.377 19.401 16.554 1.00 1.29 C ATOM 242 NZ LYS A 16 9.915 18.300 15.677 1.00 1.59 N ATOM 0 H LYS A 16 9.340 21.015 12.004 1.00 0.59 H new ATOM 0 HA LYS A 16 8.180 22.916 13.520 1.00 0.53 H new ATOM 0 HB2 LYS A 16 11.105 21.997 13.471 1.00 0.62 H new ATOM 0 HB3 LYS A 16 10.474 22.991 14.769 1.00 0.62 H new ATOM 0 HG2 LYS A 16 8.758 21.226 15.286 1.00 1.10 H new ATOM 0 HG3 LYS A 16 9.389 20.232 13.987 1.00 1.10 H new ATOM 0 HD2 LYS A 16 11.660 20.196 15.029 1.00 1.09 H new ATOM 0 HD3 LYS A 16 11.174 21.368 16.237 1.00 1.09 H new ATOM 0 HE2 LYS A 16 11.200 19.072 17.189 1.00 1.29 H new ATOM 0 HE3 LYS A 16 9.576 19.731 17.216 1.00 1.29 H new ATOM 0 HZ1 LYS A 16 10.302 17.398 16.019 1.00 1.59 H new ATOM 0 HZ2 LYS A 16 8.876 18.258 15.691 1.00 1.59 H new ATOM 0 HZ3 LYS A 16 10.242 18.470 14.705 1.00 1.59 H new ATOM 256 N THR A 17 10.682 24.159 11.900 1.00 0.54 N ATOM 257 CA THR A 17 11.352 25.368 11.395 1.00 0.62 C ATOM 258 C THR A 17 11.027 25.359 9.902 1.00 0.58 C ATOM 259 O THR A 17 10.715 24.338 9.314 1.00 0.50 O ATOM 260 CB THR A 17 12.865 25.150 11.547 1.00 0.54 C ATOM 261 OG1 THR A 17 13.079 24.479 12.794 1.00 0.47 O ATOM 262 CG2 THR A 17 13.620 26.445 11.752 1.00 0.59 C ATOM 0 H THR A 17 11.094 23.284 11.576 1.00 0.54 H new ATOM 0 HA THR A 17 11.052 26.285 11.901 1.00 0.62 H new ATOM 0 HB THR A 17 13.198 24.627 10.650 1.00 0.54 H new ATOM 0 HG1 THR A 17 14.038 24.323 12.921 1.00 0.47 H new ATOM 0 HG21 THR A 17 14.684 26.233 11.854 1.00 0.59 H new ATOM 0 HG22 THR A 17 13.460 27.099 10.895 1.00 0.59 H new ATOM 0 HG23 THR A 17 13.260 26.937 12.656 1.00 0.59 H new ATOM 270 N LYS A 18 11.106 26.505 9.313 1.00 0.81 N ATOM 271 CA LYS A 18 10.815 26.615 7.855 1.00 0.90 C ATOM 272 C LYS A 18 12.222 26.643 7.201 1.00 0.55 C ATOM 273 O LYS A 18 12.953 27.598 7.386 1.00 0.51 O ATOM 274 CB LYS A 18 9.850 27.798 7.643 1.00 1.47 C ATOM 275 CG LYS A 18 8.453 27.457 8.333 1.00 2.08 C ATOM 276 CD LYS A 18 7.846 26.085 7.803 1.00 3.65 C ATOM 277 CE LYS A 18 6.410 25.786 8.316 1.00 4.80 C ATOM 278 NZ LYS A 18 6.423 25.168 9.691 1.00 5.30 N ATOM 0 H LYS A 18 11.360 27.380 9.772 1.00 0.81 H new ATOM 0 HA LYS A 18 10.271 25.801 7.376 1.00 0.90 H new ATOM 0 HB2 LYS A 18 10.270 28.708 8.072 1.00 1.47 H new ATOM 0 HB3 LYS A 18 9.709 27.983 6.578 1.00 1.47 H new ATOM 0 HG2 LYS A 18 8.586 27.401 9.413 1.00 2.08 H new ATOM 0 HG3 LYS A 18 7.747 28.264 8.140 1.00 2.08 H new ATOM 0 HD2 LYS A 18 7.835 26.102 6.713 1.00 3.65 H new ATOM 0 HD3 LYS A 18 8.504 25.269 8.102 1.00 3.65 H new ATOM 0 HE2 LYS A 18 5.833 26.710 8.339 1.00 4.80 H new ATOM 0 HE3 LYS A 18 5.908 25.114 7.620 1.00 4.80 H new ATOM 0 HZ1 LYS A 18 5.899 24.270 9.673 1.00 5.30 H new ATOM 0 HZ2 LYS A 18 7.405 24.990 9.982 1.00 5.30 H new ATOM 0 HZ3 LYS A 18 5.974 25.817 10.368 1.00 5.30 H new ATOM 292 N PRO A 19 12.569 25.596 6.471 1.00 0.47 N ATOM 293 CA PRO A 19 13.902 25.507 5.803 1.00 0.37 C ATOM 294 C PRO A 19 14.326 26.773 5.025 1.00 0.35 C ATOM 295 O PRO A 19 13.504 27.561 4.586 1.00 0.35 O ATOM 296 CB PRO A 19 13.727 24.299 4.874 1.00 0.61 C ATOM 297 CG PRO A 19 12.712 23.405 5.614 1.00 0.63 C ATOM 298 CD PRO A 19 11.715 24.390 6.203 1.00 0.68 C ATOM 0 HA PRO A 19 14.707 25.407 6.531 1.00 0.37 H new ATOM 0 HB2 PRO A 19 13.355 24.599 3.894 1.00 0.61 H new ATOM 0 HB3 PRO A 19 14.672 23.780 4.711 1.00 0.61 H new ATOM 0 HG2 PRO A 19 12.227 22.705 4.934 1.00 0.63 H new ATOM 0 HG3 PRO A 19 13.194 22.812 6.391 1.00 0.63 H new ATOM 0 HD2 PRO A 19 10.905 24.612 5.508 1.00 0.68 H new ATOM 0 HD3 PRO A 19 11.256 24.007 7.115 1.00 0.68 H new ATOM 306 N ALA A 20 15.612 26.926 4.868 1.00 0.36 N ATOM 307 CA ALA A 20 16.174 28.094 4.138 1.00 0.39 C ATOM 308 C ALA A 20 15.699 28.002 2.689 1.00 0.40 C ATOM 309 O ALA A 20 15.331 26.938 2.216 1.00 0.34 O ATOM 310 CB ALA A 20 17.715 27.947 4.142 1.00 0.36 C ATOM 0 H ALA A 20 16.311 26.274 5.224 1.00 0.36 H new ATOM 0 HA ALA A 20 15.867 29.035 4.594 1.00 0.39 H new ATOM 0 HB1 ALA A 20 18.162 28.789 3.613 1.00 0.36 H new ATOM 0 HB2 ALA A 20 18.076 27.931 5.170 1.00 0.36 H new ATOM 0 HB3 ALA A 20 17.993 27.018 3.645 1.00 0.36 H new ATOM 316 N ASP A 21 15.718 29.124 2.018 1.00 0.50 N ATOM 317 CA ASP A 21 15.275 29.129 0.602 1.00 0.51 C ATOM 318 C ASP A 21 15.860 27.905 -0.149 1.00 0.38 C ATOM 319 O ASP A 21 15.076 27.093 -0.589 1.00 0.33 O ATOM 320 CB ASP A 21 15.631 30.500 0.029 1.00 0.62 C ATOM 321 CG ASP A 21 14.852 30.747 -1.245 1.00 1.30 C ATOM 322 OD1 ASP A 21 15.140 30.070 -2.214 1.00 2.37 O ATOM 323 OD2 ASP A 21 13.994 31.613 -1.184 1.00 1.23 O ATOM 0 H ASP A 21 16.018 30.026 2.388 1.00 0.50 H new ATOM 0 HA ASP A 21 14.198 29.005 0.489 1.00 0.51 H new ATOM 0 HB2 ASP A 21 15.406 31.278 0.759 1.00 0.62 H new ATOM 0 HB3 ASP A 21 16.701 30.552 -0.173 1.00 0.62 H new ATOM 328 N GLU A 22 17.165 27.783 -0.264 1.00 0.37 N ATOM 329 CA GLU A 22 17.772 26.602 -0.985 1.00 0.30 C ATOM 330 C GLU A 22 17.178 25.232 -0.463 1.00 0.14 C ATOM 331 O GLU A 22 16.720 24.435 -1.261 1.00 0.12 O ATOM 332 CB GLU A 22 19.320 26.601 -0.774 1.00 0.46 C ATOM 333 CG GLU A 22 19.967 27.907 -1.320 1.00 0.56 C ATOM 334 CD GLU A 22 21.500 27.854 -1.217 1.00 1.53 C ATOM 335 OE1 GLU A 22 22.047 26.957 -1.838 1.00 2.45 O ATOM 336 OE2 GLU A 22 22.041 28.708 -0.532 1.00 1.91 O ATOM 0 H GLU A 22 17.841 28.449 0.110 1.00 0.37 H new ATOM 0 HA GLU A 22 17.532 26.698 -2.044 1.00 0.30 H new ATOM 0 HB2 GLU A 22 19.544 26.498 0.288 1.00 0.46 H new ATOM 0 HB3 GLU A 22 19.757 25.738 -1.277 1.00 0.46 H new ATOM 0 HG2 GLU A 22 19.675 28.053 -2.360 1.00 0.56 H new ATOM 0 HG3 GLU A 22 19.592 28.763 -0.760 1.00 0.56 H new ATOM 343 N GLU A 23 17.189 24.945 0.827 1.00 0.20 N ATOM 344 CA GLU A 23 16.622 23.662 1.339 1.00 0.12 C ATOM 345 C GLU A 23 15.204 23.513 0.701 1.00 0.12 C ATOM 346 O GLU A 23 14.916 22.534 0.028 1.00 0.12 O ATOM 347 CB GLU A 23 16.639 23.821 2.887 1.00 0.20 C ATOM 348 CG GLU A 23 18.116 23.744 3.480 1.00 0.34 C ATOM 349 CD GLU A 23 18.197 24.076 4.986 1.00 1.03 C ATOM 350 OE1 GLU A 23 17.461 24.942 5.413 1.00 2.10 O ATOM 351 OE2 GLU A 23 18.997 23.458 5.668 1.00 1.34 O ATOM 0 H GLU A 23 17.573 25.557 1.547 1.00 0.20 H new ATOM 0 HA GLU A 23 17.165 22.752 1.083 1.00 0.12 H new ATOM 0 HB2 GLU A 23 16.189 24.776 3.158 1.00 0.20 H new ATOM 0 HB3 GLU A 23 16.026 23.041 3.338 1.00 0.20 H new ATOM 0 HG2 GLU A 23 18.512 22.742 3.316 1.00 0.34 H new ATOM 0 HG3 GLU A 23 18.756 24.434 2.930 1.00 0.34 H new ATOM 358 N MET A 24 14.381 24.512 0.942 1.00 0.21 N ATOM 359 CA MET A 24 12.979 24.524 0.377 1.00 0.32 C ATOM 360 C MET A 24 13.036 24.298 -1.151 1.00 0.23 C ATOM 361 O MET A 24 12.279 23.529 -1.694 1.00 0.23 O ATOM 362 CB MET A 24 12.300 25.893 0.632 1.00 0.51 C ATOM 363 CG MET A 24 11.914 26.090 2.106 1.00 0.36 C ATOM 364 SD MET A 24 10.720 27.416 2.429 1.00 0.99 S ATOM 365 CE MET A 24 11.850 28.827 2.314 1.00 2.26 C ATOM 0 H MET A 24 14.618 25.326 1.509 1.00 0.21 H new ATOM 0 HA MET A 24 12.409 23.733 0.865 1.00 0.32 H new ATOM 0 HB2 MET A 24 12.975 26.693 0.326 1.00 0.51 H new ATOM 0 HB3 MET A 24 11.407 25.974 0.012 1.00 0.51 H new ATOM 0 HG2 MET A 24 11.503 25.154 2.484 1.00 0.36 H new ATOM 0 HG3 MET A 24 12.820 26.293 2.677 1.00 0.36 H new ATOM 0 HE1 MET A 24 11.711 29.476 3.179 1.00 2.26 H new ATOM 0 HE2 MET A 24 12.879 28.468 2.292 1.00 2.26 H new ATOM 0 HE3 MET A 24 11.641 29.387 1.402 1.00 2.26 H new ATOM 375 N LEU A 25 13.929 24.983 -1.798 1.00 0.19 N ATOM 376 CA LEU A 25 14.149 24.909 -3.255 1.00 0.16 C ATOM 377 C LEU A 25 14.391 23.536 -3.811 1.00 0.18 C ATOM 378 O LEU A 25 13.697 23.098 -4.704 1.00 0.14 O ATOM 379 CB LEU A 25 15.314 25.766 -3.505 1.00 0.18 C ATOM 380 CG LEU A 25 14.954 27.243 -3.437 1.00 0.24 C ATOM 381 CD1 LEU A 25 15.366 27.727 -4.703 1.00 0.28 C ATOM 382 CD2 LEU A 25 13.513 27.624 -3.187 1.00 0.22 C ATOM 0 H LEU A 25 14.558 25.638 -1.333 1.00 0.19 H new ATOM 0 HA LEU A 25 13.237 25.227 -3.761 1.00 0.16 H new ATOM 0 HB2 LEU A 25 16.090 25.547 -2.772 1.00 0.18 H new ATOM 0 HB3 LEU A 25 15.729 25.538 -4.487 1.00 0.18 H new ATOM 0 HG LEU A 25 15.438 27.671 -2.559 1.00 0.24 H new ATOM 0 HD11 LEU A 25 15.154 28.794 -4.771 1.00 0.28 H new ATOM 0 HD12 LEU A 25 16.436 27.561 -4.825 1.00 0.28 H new ATOM 0 HD13 LEU A 25 14.825 27.199 -5.488 1.00 0.28 H new ATOM 0 HD21 LEU A 25 13.422 28.710 -3.167 1.00 0.22 H new ATOM 0 HD22 LEU A 25 12.887 27.222 -3.984 1.00 0.22 H new ATOM 0 HD23 LEU A 25 13.189 27.215 -2.230 1.00 0.22 H new ATOM 394 N PHE A 26 15.393 22.921 -3.250 1.00 0.25 N ATOM 395 CA PHE A 26 15.783 21.549 -3.663 1.00 0.28 C ATOM 396 C PHE A 26 14.502 20.733 -3.635 1.00 0.27 C ATOM 397 O PHE A 26 14.029 20.234 -4.637 1.00 0.24 O ATOM 398 CB PHE A 26 16.771 20.980 -2.642 1.00 0.32 C ATOM 399 CG PHE A 26 16.911 19.509 -3.034 1.00 0.09 C ATOM 400 CD1 PHE A 26 17.538 19.116 -4.196 1.00 1.28 C ATOM 401 CD2 PHE A 26 16.339 18.569 -2.222 1.00 1.31 C ATOM 402 CE1 PHE A 26 17.582 17.780 -4.540 1.00 1.09 C ATOM 403 CE2 PHE A 26 16.375 17.242 -2.559 1.00 1.53 C ATOM 404 CZ PHE A 26 16.996 16.842 -3.720 1.00 0.41 C ATOM 0 H PHE A 26 15.968 23.321 -2.508 1.00 0.25 H new ATOM 0 HA PHE A 26 16.253 21.534 -4.646 1.00 0.28 H new ATOM 0 HB2 PHE A 26 17.730 21.497 -2.685 1.00 0.32 H new ATOM 0 HB3 PHE A 26 16.397 21.087 -1.624 1.00 0.32 H new ATOM 0 HD1 PHE A 26 17.996 19.854 -4.838 1.00 1.28 H new ATOM 0 HD2 PHE A 26 15.855 18.876 -1.307 1.00 1.31 H new ATOM 0 HE1 PHE A 26 18.075 17.471 -5.450 1.00 1.09 H new ATOM 0 HE2 PHE A 26 15.915 16.509 -1.913 1.00 1.53 H new ATOM 0 HZ PHE A 26 17.024 15.796 -3.987 1.00 0.41 H new ATOM 414 N ILE A 27 14.003 20.663 -2.434 1.00 0.34 N ATOM 415 CA ILE A 27 12.746 19.929 -2.132 1.00 0.36 C ATOM 416 C ILE A 27 11.718 20.294 -3.190 1.00 0.31 C ATOM 417 O ILE A 27 11.366 19.501 -4.030 1.00 0.34 O ATOM 418 CB ILE A 27 12.393 20.441 -0.710 1.00 0.45 C ATOM 419 CG1 ILE A 27 12.736 19.416 0.389 1.00 0.43 C ATOM 420 CG2 ILE A 27 10.896 20.831 -0.429 1.00 0.55 C ATOM 421 CD1 ILE A 27 14.105 18.740 0.283 1.00 0.37 C ATOM 0 H ILE A 27 14.433 21.102 -1.620 1.00 0.34 H new ATOM 0 HA ILE A 27 12.806 18.841 -2.149 1.00 0.36 H new ATOM 0 HB ILE A 27 13.001 21.345 -0.680 1.00 0.45 H new ATOM 0 HG12 ILE A 27 12.676 19.917 1.355 1.00 0.43 H new ATOM 0 HG13 ILE A 27 11.970 18.640 0.384 1.00 0.43 H new ATOM 0 HG21 ILE A 27 10.796 21.171 0.602 1.00 0.55 H new ATOM 0 HG22 ILE A 27 10.595 21.631 -1.105 1.00 0.55 H new ATOM 0 HG23 ILE A 27 10.258 19.962 -0.588 1.00 0.55 H new ATOM 0 HD11 ILE A 27 14.231 18.042 1.110 1.00 0.37 H new ATOM 0 HD12 ILE A 27 14.172 18.200 -0.661 1.00 0.37 H new ATOM 0 HD13 ILE A 27 14.889 19.497 0.324 1.00 0.37 H new ATOM 433 N TYR A 28 11.283 21.505 -3.117 1.00 0.26 N ATOM 434 CA TYR A 28 10.281 22.074 -4.036 1.00 0.26 C ATOM 435 C TYR A 28 10.431 21.663 -5.499 1.00 0.18 C ATOM 436 O TYR A 28 9.604 20.981 -6.062 1.00 0.27 O ATOM 437 CB TYR A 28 10.455 23.596 -3.930 1.00 0.27 C ATOM 438 CG TYR A 28 9.497 24.196 -4.925 1.00 0.23 C ATOM 439 CD1 TYR A 28 8.149 24.051 -4.680 1.00 1.45 C ATOM 440 CD2 TYR A 28 9.952 24.850 -6.057 1.00 1.23 C ATOM 441 CE1 TYR A 28 7.230 24.553 -5.552 1.00 1.61 C ATOM 442 CE2 TYR A 28 9.004 25.353 -6.931 1.00 1.04 C ATOM 443 CZ TYR A 28 7.651 25.200 -6.677 1.00 0.44 C ATOM 444 OH TYR A 28 6.691 25.655 -7.546 1.00 0.65 O ATOM 0 H TYR A 28 11.604 22.166 -2.410 1.00 0.26 H new ATOM 0 HA TYR A 28 9.298 21.704 -3.743 1.00 0.26 H new ATOM 0 HB2 TYR A 28 10.237 23.944 -2.920 1.00 0.27 H new ATOM 0 HB3 TYR A 28 11.481 23.887 -4.153 1.00 0.27 H new ATOM 0 HD1 TYR A 28 7.818 23.536 -3.790 1.00 1.45 H new ATOM 0 HD2 TYR A 28 11.008 24.964 -6.251 1.00 1.23 H new ATOM 0 HE1 TYR A 28 6.174 24.439 -5.354 1.00 1.61 H new ATOM 0 HE2 TYR A 28 9.323 25.872 -7.823 1.00 1.04 H new ATOM 0 HH TYR A 28 6.645 25.060 -8.323 1.00 0.65 H new ATOM 454 N SER A 29 11.522 22.111 -6.036 1.00 0.09 N ATOM 455 CA SER A 29 11.892 21.867 -7.443 1.00 0.09 C ATOM 456 C SER A 29 11.715 20.373 -7.802 1.00 0.13 C ATOM 457 O SER A 29 10.985 19.978 -8.695 1.00 0.20 O ATOM 458 CB SER A 29 13.367 22.327 -7.531 1.00 0.09 C ATOM 459 OG SER A 29 14.090 21.375 -6.773 1.00 0.10 O ATOM 0 H SER A 29 12.207 22.667 -5.524 1.00 0.09 H new ATOM 0 HA SER A 29 11.264 22.405 -8.153 1.00 0.09 H new ATOM 0 HB2 SER A 29 13.712 22.354 -8.565 1.00 0.09 H new ATOM 0 HB3 SER A 29 13.493 23.332 -7.127 1.00 0.09 H new ATOM 0 HG SER A 29 13.934 21.530 -5.818 1.00 0.10 H new ATOM 465 N HIS A 30 12.412 19.569 -7.042 1.00 0.12 N ATOM 466 CA HIS A 30 12.384 18.116 -7.227 1.00 0.18 C ATOM 467 C HIS A 30 10.981 17.584 -7.027 1.00 0.22 C ATOM 468 O HIS A 30 10.499 16.900 -7.896 1.00 0.22 O ATOM 469 CB HIS A 30 13.397 17.568 -6.222 1.00 0.20 C ATOM 470 CG HIS A 30 14.796 17.855 -6.748 1.00 0.24 C ATOM 471 ND1 HIS A 30 15.340 19.021 -6.844 1.00 1.03 N ATOM 472 CD2 HIS A 30 15.753 16.985 -7.228 1.00 0.50 C ATOM 473 CE1 HIS A 30 16.535 18.902 -7.341 1.00 0.85 C ATOM 474 NE2 HIS A 30 16.830 17.651 -7.594 1.00 0.10 N ATOM 0 H HIS A 30 13.014 19.885 -6.281 1.00 0.12 H new ATOM 0 HA HIS A 30 12.654 17.805 -8.236 1.00 0.18 H new ATOM 0 HB2 HIS A 30 13.255 18.034 -5.247 1.00 0.20 H new ATOM 0 HB3 HIS A 30 13.255 16.496 -6.086 1.00 0.20 H new ATOM 0 HD1 HIS A 30 14.900 19.900 -6.572 1.00 1.03 H new ATOM 0 HD2 HIS A 30 15.637 15.913 -7.294 1.00 0.50 H new ATOM 0 HE1 HIS A 30 17.202 19.732 -7.523 1.00 0.85 H new ATOM 482 N TYR A 31 10.345 17.891 -5.924 1.00 0.26 N ATOM 483 CA TYR A 31 8.952 17.392 -5.682 1.00 0.28 C ATOM 484 C TYR A 31 8.152 17.744 -6.908 1.00 0.27 C ATOM 485 O TYR A 31 7.716 16.875 -7.632 1.00 0.24 O ATOM 486 CB TYR A 31 8.233 18.170 -4.536 1.00 0.34 C ATOM 487 CG TYR A 31 6.804 17.608 -4.291 1.00 0.24 C ATOM 488 CD1 TYR A 31 6.674 16.476 -3.510 1.00 1.02 C ATOM 489 CD2 TYR A 31 5.644 18.191 -4.803 1.00 0.65 C ATOM 490 CE1 TYR A 31 5.445 15.920 -3.227 1.00 1.01 C ATOM 491 CE2 TYR A 31 4.400 17.617 -4.508 1.00 0.66 C ATOM 492 CZ TYR A 31 4.302 16.477 -3.716 1.00 0.22 C ATOM 493 OH TYR A 31 3.096 15.877 -3.406 1.00 0.22 O ATOM 0 H TYR A 31 10.731 18.468 -5.176 1.00 0.26 H new ATOM 0 HA TYR A 31 9.015 16.331 -5.442 1.00 0.28 H new ATOM 0 HB2 TYR A 31 8.818 18.097 -3.619 1.00 0.34 H new ATOM 0 HB3 TYR A 31 8.173 19.228 -4.792 1.00 0.34 H new ATOM 0 HD1 TYR A 31 7.563 16.012 -3.109 1.00 1.02 H new ATOM 0 HD2 TYR A 31 5.704 19.075 -5.420 1.00 0.65 H new ATOM 0 HE1 TYR A 31 5.388 15.034 -2.612 1.00 1.01 H new ATOM 0 HE2 TYR A 31 3.501 18.068 -4.902 1.00 0.66 H new ATOM 0 HH TYR A 31 3.249 14.939 -3.166 1.00 0.22 H new ATOM 503 N LYS A 32 8.004 19.025 -7.099 1.00 0.32 N ATOM 504 CA LYS A 32 7.239 19.533 -8.249 1.00 0.34 C ATOM 505 C LYS A 32 7.556 18.747 -9.519 1.00 0.30 C ATOM 506 O LYS A 32 6.639 18.393 -10.227 1.00 0.32 O ATOM 507 CB LYS A 32 7.470 20.994 -8.246 1.00 0.35 C ATOM 508 CG LYS A 32 6.971 21.675 -6.949 1.00 0.38 C ATOM 509 CD LYS A 32 5.473 21.490 -6.631 1.00 0.51 C ATOM 510 CE LYS A 32 4.705 22.541 -7.321 1.00 0.43 C ATOM 511 NZ LYS A 32 3.340 22.554 -6.712 1.00 0.98 N ATOM 0 H LYS A 32 8.391 19.746 -6.491 1.00 0.32 H new ATOM 0 HA LYS A 32 6.162 19.377 -8.190 1.00 0.34 H new ATOM 0 HB2 LYS A 32 8.535 21.189 -8.367 1.00 0.35 H new ATOM 0 HB3 LYS A 32 6.965 21.439 -9.103 1.00 0.35 H new ATOM 0 HG2 LYS A 32 7.552 21.289 -6.111 1.00 0.38 H new ATOM 0 HG3 LYS A 32 7.180 22.743 -7.017 1.00 0.38 H new ATOM 0 HD2 LYS A 32 5.138 20.505 -6.954 1.00 0.51 H new ATOM 0 HD3 LYS A 32 5.306 21.546 -5.555 1.00 0.51 H new ATOM 0 HE2 LYS A 32 5.188 23.511 -7.205 1.00 0.43 H new ATOM 0 HE3 LYS A 32 4.648 22.338 -8.391 1.00 0.43 H new ATOM 0 HZ1 LYS A 32 2.761 23.286 -7.172 1.00 0.98 H new ATOM 0 HZ2 LYS A 32 2.892 21.625 -6.844 1.00 0.98 H new ATOM 0 HZ3 LYS A 32 3.415 22.761 -5.696 1.00 0.98 H new ATOM 525 N GLN A 33 8.810 18.493 -9.786 1.00 0.28 N ATOM 526 CA GLN A 33 9.157 17.700 -11.022 1.00 0.25 C ATOM 527 C GLN A 33 8.718 16.236 -10.915 1.00 0.21 C ATOM 528 O GLN A 33 8.115 15.706 -11.824 1.00 0.19 O ATOM 529 CB GLN A 33 10.659 17.771 -11.183 1.00 0.23 C ATOM 530 CG GLN A 33 10.952 18.988 -12.018 1.00 0.71 C ATOM 531 CD GLN A 33 11.098 18.607 -13.480 1.00 0.42 C ATOM 532 OE1 GLN A 33 12.087 18.086 -13.929 1.00 0.28 O ATOM 533 NE2 GLN A 33 10.119 18.826 -14.287 1.00 0.63 N ATOM 0 H GLN A 33 9.603 18.791 -9.218 1.00 0.28 H new ATOM 0 HA GLN A 33 8.634 18.120 -11.881 1.00 0.25 H new ATOM 0 HB2 GLN A 33 11.149 17.842 -10.212 1.00 0.23 H new ATOM 0 HB3 GLN A 33 11.039 16.871 -11.666 1.00 0.23 H new ATOM 0 HG2 GLN A 33 10.149 19.716 -11.904 1.00 0.71 H new ATOM 0 HG3 GLN A 33 11.867 19.465 -11.667 1.00 0.71 H new ATOM 0 HE21 GLN A 33 9.264 19.265 -13.945 1.00 0.63 H new ATOM 0 HE22 GLN A 33 10.198 18.560 -15.269 1.00 0.63 H new ATOM 542 N ALA A 34 9.044 15.637 -9.811 1.00 0.21 N ATOM 543 CA ALA A 34 8.700 14.214 -9.511 1.00 0.20 C ATOM 544 C ALA A 34 7.182 13.958 -9.586 1.00 0.21 C ATOM 545 O ALA A 34 6.726 12.912 -9.999 1.00 0.22 O ATOM 546 CB ALA A 34 9.091 14.016 -8.031 1.00 0.23 C ATOM 0 H ALA A 34 9.562 16.097 -9.062 1.00 0.21 H new ATOM 0 HA ALA A 34 9.202 13.556 -10.221 1.00 0.20 H new ATOM 0 HB1 ALA A 34 8.869 12.992 -7.730 1.00 0.23 H new ATOM 0 HB2 ALA A 34 10.157 14.208 -7.907 1.00 0.23 H new ATOM 0 HB3 ALA A 34 8.523 14.708 -7.409 1.00 0.23 H new ATOM 552 N THR A 35 6.461 14.961 -9.171 1.00 0.21 N ATOM 553 CA THR A 35 4.954 14.945 -9.132 1.00 0.22 C ATOM 554 C THR A 35 4.139 15.588 -10.245 1.00 0.23 C ATOM 555 O THR A 35 3.395 14.919 -10.931 1.00 0.20 O ATOM 556 CB THR A 35 4.571 15.726 -7.849 1.00 0.27 C ATOM 557 OG1 THR A 35 5.193 17.004 -7.965 1.00 0.29 O ATOM 558 CG2 THR A 35 5.280 15.148 -6.662 1.00 0.28 C ATOM 0 H THR A 35 6.867 15.836 -8.840 1.00 0.21 H new ATOM 0 HA THR A 35 4.709 13.886 -9.212 1.00 0.22 H new ATOM 0 HB THR A 35 3.487 15.720 -7.739 1.00 0.27 H new ATOM 0 HG1 THR A 35 6.049 16.995 -7.489 1.00 0.29 H new ATOM 0 HG21 THR A 35 5.003 15.704 -5.766 1.00 0.28 H new ATOM 0 HG22 THR A 35 4.996 14.103 -6.542 1.00 0.28 H new ATOM 0 HG23 THR A 35 6.357 15.216 -6.813 1.00 0.28 H new ATOM 566 N VAL A 36 4.316 16.863 -10.386 1.00 0.32 N ATOM 567 CA VAL A 36 3.599 17.704 -11.418 1.00 0.39 C ATOM 568 C VAL A 36 4.260 17.529 -12.776 1.00 0.38 C ATOM 569 O VAL A 36 3.671 17.208 -13.790 1.00 0.37 O ATOM 570 CB VAL A 36 3.805 19.206 -10.986 1.00 0.47 C ATOM 571 CG1 VAL A 36 3.132 20.193 -11.946 1.00 0.56 C ATOM 572 CG2 VAL A 36 3.328 19.422 -9.574 1.00 0.50 C ATOM 0 H VAL A 36 4.960 17.399 -9.804 1.00 0.32 H new ATOM 0 HA VAL A 36 2.549 17.420 -11.482 1.00 0.39 H new ATOM 0 HB VAL A 36 4.876 19.406 -11.031 1.00 0.47 H new ATOM 0 HG11 VAL A 36 3.306 21.212 -11.601 1.00 0.56 H new ATOM 0 HG12 VAL A 36 3.551 20.072 -12.945 1.00 0.56 H new ATOM 0 HG13 VAL A 36 2.060 19.998 -11.976 1.00 0.56 H new ATOM 0 HG21 VAL A 36 3.479 20.465 -9.295 1.00 0.50 H new ATOM 0 HG22 VAL A 36 2.268 19.178 -9.507 1.00 0.50 H new ATOM 0 HG23 VAL A 36 3.892 18.780 -8.897 1.00 0.50 H new ATOM 582 N GLY A 37 5.531 17.766 -12.682 1.00 0.36 N ATOM 583 CA GLY A 37 6.473 17.685 -13.831 1.00 0.36 C ATOM 584 C GLY A 37 7.202 19.001 -14.095 1.00 0.37 C ATOM 585 O GLY A 37 7.655 19.718 -13.221 1.00 0.33 O ATOM 0 H GLY A 37 5.982 18.028 -11.805 1.00 0.36 H new ATOM 0 HA2 GLY A 37 7.206 16.901 -13.639 1.00 0.36 H new ATOM 0 HA3 GLY A 37 5.923 17.394 -14.726 1.00 0.36 H new ATOM 589 N ASP A 38 7.285 19.246 -15.366 1.00 0.42 N ATOM 590 CA ASP A 38 7.929 20.440 -15.974 1.00 0.43 C ATOM 591 C ASP A 38 7.311 21.825 -15.710 1.00 0.39 C ATOM 592 O ASP A 38 6.412 22.241 -16.418 1.00 0.68 O ATOM 593 CB ASP A 38 7.865 20.075 -17.471 1.00 0.51 C ATOM 594 CG ASP A 38 8.970 19.096 -17.822 1.00 0.40 C ATOM 595 OD1 ASP A 38 9.320 18.282 -16.980 1.00 1.01 O ATOM 596 OD2 ASP A 38 9.389 19.241 -18.949 1.00 0.86 O ATOM 0 H ASP A 38 6.899 18.611 -16.065 1.00 0.42 H new ATOM 0 HA ASP A 38 8.914 20.598 -15.535 1.00 0.43 H new ATOM 0 HB2 ASP A 38 6.894 19.637 -17.704 1.00 0.51 H new ATOM 0 HB3 ASP A 38 7.962 20.976 -18.077 1.00 0.51 H new ATOM 601 N ILE A 39 7.870 22.500 -14.728 1.00 0.55 N ATOM 602 CA ILE A 39 7.418 23.869 -14.291 1.00 0.50 C ATOM 603 C ILE A 39 6.448 24.524 -15.284 1.00 0.37 C ATOM 604 O ILE A 39 6.770 25.186 -16.250 1.00 0.28 O ATOM 605 CB ILE A 39 8.600 24.671 -13.875 1.00 0.46 C ATOM 606 CG1 ILE A 39 8.032 25.783 -12.962 1.00 0.44 C ATOM 607 CG2 ILE A 39 9.430 25.162 -15.077 1.00 0.43 C ATOM 608 CD1 ILE A 39 9.189 26.361 -12.224 1.00 0.36 C ATOM 0 H ILE A 39 8.657 22.141 -14.187 1.00 0.55 H new ATOM 0 HA ILE A 39 6.792 23.792 -13.402 1.00 0.50 H new ATOM 0 HB ILE A 39 9.334 24.084 -13.322 1.00 0.46 H new ATOM 0 HG12 ILE A 39 7.527 26.548 -13.552 1.00 0.44 H new ATOM 0 HG13 ILE A 39 7.295 25.377 -12.270 1.00 0.44 H new ATOM 0 HG21 ILE A 39 10.281 25.742 -14.719 1.00 0.43 H new ATOM 0 HG22 ILE A 39 9.789 24.304 -15.646 1.00 0.43 H new ATOM 0 HG23 ILE A 39 8.808 25.787 -15.717 1.00 0.43 H new ATOM 0 HD11 ILE A 39 8.839 27.154 -11.563 1.00 0.36 H new ATOM 0 HD12 ILE A 39 9.670 25.581 -11.633 1.00 0.36 H new ATOM 0 HD13 ILE A 39 9.906 26.771 -12.935 1.00 0.36 H new ATOM 620 N ASN A 40 5.242 24.234 -14.922 1.00 0.40 N ATOM 621 CA ASN A 40 3.990 24.661 -15.623 1.00 0.41 C ATOM 622 C ASN A 40 3.112 25.555 -14.724 1.00 0.62 C ATOM 623 O ASN A 40 1.904 25.452 -14.669 1.00 0.78 O ATOM 624 CB ASN A 40 3.269 23.312 -15.877 1.00 0.27 C ATOM 625 CG ASN A 40 3.060 22.639 -14.520 1.00 1.27 C ATOM 626 OD1 ASN A 40 3.989 22.214 -13.871 1.00 1.94 O ATOM 627 ND2 ASN A 40 1.869 22.522 -14.038 1.00 2.21 N ATOM 0 H ASN A 40 5.051 23.668 -14.095 1.00 0.40 H new ATOM 0 HA ASN A 40 4.191 25.244 -16.522 1.00 0.41 H new ATOM 0 HB2 ASN A 40 2.313 23.476 -16.375 1.00 0.27 H new ATOM 0 HB3 ASN A 40 3.865 22.676 -16.532 1.00 0.27 H new ATOM 0 HD21 ASN A 40 1.728 22.080 -13.130 1.00 2.21 H new ATOM 0 HD22 ASN A 40 1.069 22.872 -14.565 1.00 2.21 H new ATOM 634 N THR A 41 3.809 26.398 -14.033 1.00 0.68 N ATOM 635 CA THR A 41 3.197 27.383 -13.081 1.00 0.90 C ATOM 636 C THR A 41 3.490 28.801 -13.551 1.00 1.16 C ATOM 637 O THR A 41 2.612 29.628 -13.649 1.00 2.24 O ATOM 638 CB THR A 41 3.891 27.180 -11.719 1.00 0.84 C ATOM 639 OG1 THR A 41 5.285 27.279 -12.014 1.00 0.57 O ATOM 640 CG2 THR A 41 3.855 25.749 -11.301 1.00 0.82 C ATOM 0 H THR A 41 4.826 26.455 -14.084 1.00 0.68 H new ATOM 0 HA THR A 41 2.119 27.236 -13.019 1.00 0.90 H new ATOM 0 HB THR A 41 3.442 27.859 -10.994 1.00 0.84 H new ATOM 0 HG1 THR A 41 5.803 27.162 -11.190 1.00 0.57 H new ATOM 0 HG21 THR A 41 4.352 25.639 -10.337 1.00 0.82 H new ATOM 0 HG22 THR A 41 2.819 25.421 -11.214 1.00 0.82 H new ATOM 0 HG23 THR A 41 4.367 25.140 -12.045 1.00 0.82 H new ATOM 648 N GLU A 42 4.763 28.937 -13.789 1.00 0.59 N ATOM 649 CA GLU A 42 5.508 30.129 -14.268 1.00 0.48 C ATOM 650 C GLU A 42 6.203 30.982 -13.236 1.00 0.59 C ATOM 651 O GLU A 42 5.897 31.014 -12.060 1.00 0.75 O ATOM 652 CB GLU A 42 4.721 30.989 -15.160 1.00 0.83 C ATOM 653 CG GLU A 42 4.637 30.224 -16.525 1.00 2.53 C ATOM 654 CD GLU A 42 3.837 30.907 -17.644 1.00 3.22 C ATOM 655 OE1 GLU A 42 3.280 31.963 -17.404 1.00 2.81 O ATOM 656 OE2 GLU A 42 3.849 30.295 -18.700 1.00 4.28 O ATOM 0 H GLU A 42 5.395 28.149 -13.646 1.00 0.59 H new ATOM 0 HA GLU A 42 6.311 29.644 -14.823 1.00 0.48 H new ATOM 0 HB2 GLU A 42 3.727 31.170 -14.752 1.00 0.83 H new ATOM 0 HB3 GLU A 42 5.197 31.962 -15.285 1.00 0.83 H new ATOM 0 HG2 GLU A 42 5.652 30.056 -16.885 1.00 2.53 H new ATOM 0 HG3 GLU A 42 4.197 29.244 -16.340 1.00 2.53 H new ATOM 663 N ARG A 43 7.159 31.649 -13.793 1.00 0.55 N ATOM 664 CA ARG A 43 8.003 32.558 -12.996 1.00 0.79 C ATOM 665 C ARG A 43 7.316 33.824 -12.412 1.00 1.10 C ATOM 666 O ARG A 43 6.651 34.513 -13.157 1.00 1.48 O ATOM 667 CB ARG A 43 9.040 33.011 -13.990 1.00 0.95 C ATOM 668 CG ARG A 43 10.187 33.613 -13.192 1.00 1.16 C ATOM 669 CD ARG A 43 10.939 34.554 -14.083 1.00 1.95 C ATOM 670 NE ARG A 43 12.197 34.897 -13.354 1.00 1.99 N ATOM 671 CZ ARG A 43 13.297 34.464 -13.824 1.00 0.95 C ATOM 672 NH1 ARG A 43 13.753 35.037 -14.852 1.00 1.29 N ATOM 673 NH2 ARG A 43 13.852 33.493 -13.234 1.00 0.92 N ATOM 0 H ARG A 43 7.395 31.602 -14.784 1.00 0.55 H new ATOM 0 HA ARG A 43 8.352 32.024 -12.112 1.00 0.79 H new ATOM 0 HB2 ARG A 43 9.388 32.173 -14.593 1.00 0.95 H new ATOM 0 HB3 ARG A 43 8.621 33.746 -14.677 1.00 0.95 H new ATOM 0 HG2 ARG A 43 9.805 34.141 -12.318 1.00 1.16 H new ATOM 0 HG3 ARG A 43 10.848 32.827 -12.826 1.00 1.16 H new ATOM 0 HD2 ARG A 43 11.160 34.089 -15.044 1.00 1.95 H new ATOM 0 HD3 ARG A 43 10.352 35.449 -14.289 1.00 1.95 H new ATOM 0 HE ARG A 43 12.175 35.462 -12.505 1.00 1.99 H new ATOM 0 HH11 ARG A 43 13.242 35.814 -15.272 1.00 1.29 H new ATOM 0 HH12 ARG A 43 14.632 34.723 -15.263 1.00 1.29 H new ATOM 0 HH21 ARG A 43 13.417 33.082 -12.408 1.00 0.92 H new ATOM 0 HH22 ARG A 43 14.735 33.121 -13.584 1.00 0.92 H new ATOM 805 N LYS A 52 10.893 33.786 -6.669 1.00 0.40 N ATOM 806 CA LYS A 52 11.736 33.519 -7.895 1.00 0.46 C ATOM 807 C LYS A 52 12.503 32.192 -7.832 1.00 0.21 C ATOM 808 O LYS A 52 12.232 31.249 -8.534 1.00 0.34 O ATOM 809 CB LYS A 52 12.766 34.637 -7.881 1.00 0.71 C ATOM 810 CG LYS A 52 12.423 35.765 -8.872 1.00 1.06 C ATOM 811 CD LYS A 52 12.476 37.083 -8.129 1.00 1.79 C ATOM 812 CE LYS A 52 13.814 37.375 -7.483 1.00 1.86 C ATOM 813 NZ LYS A 52 13.548 38.390 -6.416 1.00 3.01 N ATOM 0 HA LYS A 52 11.100 33.471 -8.779 1.00 0.46 H new ATOM 0 HB2 LYS A 52 12.836 35.050 -6.875 1.00 0.71 H new ATOM 0 HB3 LYS A 52 13.746 34.227 -8.126 1.00 0.71 H new ATOM 0 HG2 LYS A 52 13.129 35.769 -9.702 1.00 1.06 H new ATOM 0 HG3 LYS A 52 11.432 35.608 -9.297 1.00 1.06 H new ATOM 0 HD2 LYS A 52 12.236 37.889 -8.823 1.00 1.79 H new ATOM 0 HD3 LYS A 52 11.705 37.085 -7.359 1.00 1.79 H new ATOM 0 HE2 LYS A 52 14.248 36.469 -7.060 1.00 1.86 H new ATOM 0 HE3 LYS A 52 14.525 37.757 -8.215 1.00 1.86 H new ATOM 0 HZ1 LYS A 52 14.439 38.630 -5.935 1.00 3.01 H new ATOM 0 HZ2 LYS A 52 13.144 39.247 -6.845 1.00 3.01 H new ATOM 0 HZ3 LYS A 52 12.876 37.999 -5.725 1.00 3.01 H new ATOM 827 N ALA A 53 13.456 32.215 -6.946 1.00 0.36 N ATOM 828 CA ALA A 53 14.353 31.057 -6.684 1.00 0.43 C ATOM 829 C ALA A 53 13.607 29.716 -6.760 1.00 0.28 C ATOM 830 O ALA A 53 14.015 28.830 -7.464 1.00 0.19 O ATOM 831 CB ALA A 53 14.921 31.287 -5.310 1.00 0.67 C ATOM 0 H ALA A 53 13.658 33.029 -6.366 1.00 0.36 H new ATOM 0 HA ALA A 53 15.135 30.993 -7.441 1.00 0.43 H new ATOM 0 HB1 ALA A 53 15.593 30.468 -5.052 1.00 0.67 H new ATOM 0 HB2 ALA A 53 15.473 32.227 -5.297 1.00 0.67 H new ATOM 0 HB3 ALA A 53 14.109 31.332 -4.584 1.00 0.67 H new ATOM 837 N LYS A 54 12.524 29.599 -6.039 1.00 0.29 N ATOM 838 CA LYS A 54 11.731 28.330 -6.049 1.00 0.24 C ATOM 839 C LYS A 54 11.401 28.016 -7.506 1.00 0.16 C ATOM 840 O LYS A 54 11.596 26.923 -8.003 1.00 0.18 O ATOM 841 CB LYS A 54 10.375 28.475 -5.253 1.00 0.35 C ATOM 842 CG LYS A 54 10.515 28.733 -3.721 1.00 0.67 C ATOM 843 CD LYS A 54 11.238 30.079 -3.488 1.00 1.88 C ATOM 844 CE LYS A 54 11.390 30.452 -2.037 1.00 2.25 C ATOM 845 NZ LYS A 54 10.031 30.527 -1.429 1.00 1.32 N ATOM 0 H LYS A 54 12.150 30.333 -5.438 1.00 0.29 H new ATOM 0 HA LYS A 54 12.316 27.543 -5.573 1.00 0.24 H new ATOM 0 HB2 LYS A 54 9.804 29.294 -5.690 1.00 0.35 H new ATOM 0 HB3 LYS A 54 9.791 27.566 -5.398 1.00 0.35 H new ATOM 0 HG2 LYS A 54 9.531 28.751 -3.253 1.00 0.67 H new ATOM 0 HG3 LYS A 54 11.075 27.922 -3.255 1.00 0.67 H new ATOM 0 HD2 LYS A 54 12.226 30.032 -3.946 1.00 1.88 H new ATOM 0 HD3 LYS A 54 10.687 30.868 -3.999 1.00 1.88 H new ATOM 0 HE2 LYS A 54 11.999 29.713 -1.517 1.00 2.25 H new ATOM 0 HE3 LYS A 54 11.902 31.410 -1.943 1.00 2.25 H new ATOM 0 HZ1 LYS A 54 10.080 31.051 -0.532 1.00 1.32 H new ATOM 0 HZ2 LYS A 54 9.386 31.017 -2.081 1.00 1.32 H new ATOM 0 HZ3 LYS A 54 9.678 29.566 -1.249 1.00 1.32 H new ATOM 859 N TRP A 55 10.907 29.027 -8.168 1.00 0.20 N ATOM 860 CA TRP A 55 10.525 28.906 -9.582 1.00 0.23 C ATOM 861 C TRP A 55 11.689 28.367 -10.368 1.00 0.21 C ATOM 862 O TRP A 55 11.649 27.298 -10.941 1.00 0.22 O ATOM 863 CB TRP A 55 10.123 30.291 -10.162 1.00 0.25 C ATOM 864 CG TRP A 55 9.579 29.915 -11.524 1.00 0.27 C ATOM 865 CD1 TRP A 55 8.299 29.577 -11.721 1.00 0.29 C ATOM 866 CD2 TRP A 55 10.262 29.780 -12.681 1.00 0.26 C ATOM 867 NE1 TRP A 55 8.277 29.241 -12.981 1.00 0.28 N ATOM 868 CE2 TRP A 55 9.400 29.329 -13.638 1.00 0.26 C ATOM 869 CE3 TRP A 55 11.565 29.999 -13.040 1.00 0.25 C ATOM 870 CZ2 TRP A 55 9.780 29.090 -14.914 1.00 0.25 C ATOM 871 CZ3 TRP A 55 11.977 29.764 -14.324 1.00 0.24 C ATOM 872 CH2 TRP A 55 11.089 29.306 -15.281 1.00 0.24 C ATOM 0 H TRP A 55 10.753 29.952 -7.766 1.00 0.20 H new ATOM 0 HA TRP A 55 9.673 28.230 -9.655 1.00 0.23 H new ATOM 0 HB2 TRP A 55 9.374 30.789 -9.547 1.00 0.25 H new ATOM 0 HB3 TRP A 55 10.976 30.966 -10.235 1.00 0.25 H new ATOM 0 HD1 TRP A 55 7.485 29.581 -11.011 1.00 0.29 H new ATOM 0 HE1 TRP A 55 7.419 28.923 -13.433 1.00 0.28 H new ATOM 0 HE3 TRP A 55 12.271 30.359 -12.306 1.00 0.25 H new ATOM 0 HZ2 TRP A 55 9.063 28.733 -15.638 1.00 0.25 H new ATOM 0 HZ3 TRP A 55 13.008 29.938 -14.593 1.00 0.24 H new ATOM 0 HH2 TRP A 55 11.416 29.122 -16.294 1.00 0.24 H new ATOM 883 N ASP A 56 12.699 29.167 -10.338 1.00 0.21 N ATOM 884 CA ASP A 56 13.955 28.835 -11.053 1.00 0.24 C ATOM 885 C ASP A 56 14.507 27.443 -10.690 1.00 0.25 C ATOM 886 O ASP A 56 14.771 26.654 -11.572 1.00 0.30 O ATOM 887 CB ASP A 56 14.858 29.971 -10.773 1.00 0.23 C ATOM 888 CG ASP A 56 14.449 31.189 -11.556 1.00 0.44 C ATOM 889 OD1 ASP A 56 13.582 31.903 -11.076 1.00 1.58 O ATOM 890 OD2 ASP A 56 15.029 31.351 -12.614 1.00 0.69 O ATOM 0 H ASP A 56 12.713 30.057 -9.840 1.00 0.21 H new ATOM 0 HA ASP A 56 13.810 28.729 -12.128 1.00 0.24 H new ATOM 0 HB2 ASP A 56 14.844 30.198 -9.707 1.00 0.23 H new ATOM 0 HB3 ASP A 56 15.882 29.698 -11.027 1.00 0.23 H new ATOM 895 N ALA A 57 14.676 27.154 -9.430 1.00 0.22 N ATOM 896 CA ALA A 57 15.192 25.840 -8.993 1.00 0.27 C ATOM 897 C ALA A 57 14.317 24.735 -9.603 1.00 0.21 C ATOM 898 O ALA A 57 14.821 23.776 -10.145 1.00 0.30 O ATOM 899 CB ALA A 57 15.115 25.862 -7.493 1.00 0.29 C ATOM 0 H ALA A 57 14.469 27.799 -8.667 1.00 0.22 H new ATOM 0 HA ALA A 57 16.215 25.646 -9.315 1.00 0.27 H new ATOM 0 HB1 ALA A 57 15.483 24.916 -7.096 1.00 0.29 H new ATOM 0 HB2 ALA A 57 15.726 26.679 -7.109 1.00 0.29 H new ATOM 0 HB3 ALA A 57 14.080 26.007 -7.184 1.00 0.29 H new ATOM 905 N TRP A 58 13.020 24.858 -9.508 1.00 0.15 N ATOM 906 CA TRP A 58 12.157 23.793 -10.107 1.00 0.21 C ATOM 907 C TRP A 58 12.402 23.837 -11.599 1.00 0.25 C ATOM 908 O TRP A 58 12.723 22.840 -12.210 1.00 0.26 O ATOM 909 CB TRP A 58 10.697 24.063 -9.772 1.00 0.25 C ATOM 910 CG TRP A 58 9.776 23.057 -10.513 1.00 0.30 C ATOM 911 CD1 TRP A 58 10.107 21.958 -11.276 1.00 0.30 C ATOM 912 CD2 TRP A 58 8.443 23.189 -10.516 1.00 0.34 C ATOM 913 NE1 TRP A 58 8.905 21.547 -11.671 1.00 0.35 N ATOM 914 CE2 TRP A 58 7.859 22.219 -11.267 1.00 0.37 C ATOM 915 CE3 TRP A 58 7.674 24.111 -9.875 1.00 0.35 C ATOM 916 CZ2 TRP A 58 6.496 22.154 -11.407 1.00 0.42 C ATOM 917 CZ3 TRP A 58 6.317 24.063 -9.992 1.00 0.41 C ATOM 918 CH2 TRP A 58 5.720 23.092 -10.761 1.00 0.44 C ATOM 0 H TRP A 58 12.528 25.628 -9.054 1.00 0.15 H new ATOM 0 HA TRP A 58 12.394 22.805 -9.713 1.00 0.21 H new ATOM 0 HB2 TRP A 58 10.543 23.982 -8.696 1.00 0.25 H new ATOM 0 HB3 TRP A 58 10.435 25.082 -10.055 1.00 0.25 H new ATOM 0 HD1 TRP A 58 11.080 21.543 -11.494 1.00 0.30 H new ATOM 0 HE1 TRP A 58 8.802 20.730 -12.273 1.00 0.35 H new ATOM 0 HE3 TRP A 58 8.138 24.879 -9.275 1.00 0.35 H new ATOM 0 HZ2 TRP A 58 6.040 21.383 -12.011 1.00 0.42 H new ATOM 0 HZ3 TRP A 58 5.707 24.791 -9.478 1.00 0.41 H new ATOM 0 HH2 TRP A 58 4.645 23.064 -10.859 1.00 0.44 H new ATOM 929 N ASN A 59 12.248 24.980 -12.184 1.00 0.29 N ATOM 930 CA ASN A 59 12.464 25.140 -13.634 1.00 0.35 C ATOM 931 C ASN A 59 13.716 24.390 -14.117 1.00 0.38 C ATOM 932 O ASN A 59 13.642 23.657 -15.078 1.00 0.47 O ATOM 933 CB ASN A 59 12.505 26.633 -13.738 1.00 0.35 C ATOM 934 CG ASN A 59 13.026 27.117 -15.024 1.00 0.53 C ATOM 935 OD1 ASN A 59 14.010 27.926 -14.880 1.00 0.79 O flip ATOM 936 ND2 ASN A 59 12.567 26.789 -16.099 1.00 0.42 N flip ATOM 0 H ASN A 59 11.973 25.835 -11.701 1.00 0.29 H new ATOM 0 HA ASN A 59 11.707 24.704 -14.286 1.00 0.35 H new ATOM 0 HB2 ASN A 59 11.500 27.027 -13.591 1.00 0.35 H new ATOM 0 HB3 ASN A 59 13.124 27.029 -12.932 1.00 0.35 H new ATOM 0 HD21 ASN A 59 11.782 26.140 -16.141 1.00 0.42 H new ATOM 0 HD22 ASN A 59 12.967 27.163 -16.960 1.00 0.42 H new ATOM 943 N GLU A 60 14.788 24.605 -13.412 1.00 0.33 N ATOM 944 CA GLU A 60 16.128 23.996 -13.667 1.00 0.37 C ATOM 945 C GLU A 60 16.076 22.485 -13.975 1.00 0.32 C ATOM 946 O GLU A 60 16.917 21.906 -14.628 1.00 0.24 O ATOM 947 CB GLU A 60 16.937 24.302 -12.386 1.00 0.36 C ATOM 948 CG GLU A 60 18.446 24.094 -12.637 1.00 0.44 C ATOM 949 CD GLU A 60 19.291 24.977 -11.711 1.00 0.45 C ATOM 950 OE1 GLU A 60 19.195 24.788 -10.511 1.00 1.00 O ATOM 951 OE2 GLU A 60 19.992 25.800 -12.269 1.00 1.48 O ATOM 0 H GLU A 60 14.788 25.229 -12.605 1.00 0.33 H new ATOM 0 HA GLU A 60 16.585 24.415 -14.564 1.00 0.37 H new ATOM 0 HB2 GLU A 60 16.753 25.329 -12.069 1.00 0.36 H new ATOM 0 HB3 GLU A 60 16.604 23.654 -11.575 1.00 0.36 H new ATOM 0 HG2 GLU A 60 18.702 23.047 -12.478 1.00 0.44 H new ATOM 0 HG3 GLU A 60 18.679 24.325 -13.676 1.00 0.44 H new ATOM 958 N LEU A 61 15.042 21.895 -13.466 1.00 0.35 N ATOM 959 CA LEU A 61 14.760 20.452 -13.612 1.00 0.31 C ATOM 960 C LEU A 61 13.992 20.029 -14.854 1.00 0.32 C ATOM 961 O LEU A 61 14.282 19.014 -15.459 1.00 0.29 O ATOM 962 CB LEU A 61 13.901 20.167 -12.478 1.00 0.27 C ATOM 963 CG LEU A 61 14.551 20.627 -11.179 1.00 0.22 C ATOM 964 CD1 LEU A 61 13.688 20.120 -10.153 1.00 0.19 C ATOM 965 CD2 LEU A 61 15.935 20.083 -11.008 1.00 0.24 C ATOM 0 H LEU A 61 14.337 22.390 -12.920 1.00 0.35 H new ATOM 0 HA LEU A 61 15.712 19.925 -13.679 1.00 0.31 H new ATOM 0 HB2 LEU A 61 12.942 20.668 -12.607 1.00 0.27 H new ATOM 0 HB3 LEU A 61 13.698 19.097 -12.430 1.00 0.27 H new ATOM 0 HG LEU A 61 14.662 21.711 -11.155 1.00 0.22 H new ATOM 0 HD11 LEU A 61 14.079 20.404 -9.176 1.00 0.19 H new ATOM 0 HD12 LEU A 61 12.689 20.537 -10.279 1.00 0.19 H new ATOM 0 HD13 LEU A 61 13.639 19.033 -10.223 1.00 0.19 H new ATOM 0 HD21 LEU A 61 16.353 20.441 -10.067 1.00 0.24 H new ATOM 0 HD22 LEU A 61 15.899 18.994 -10.998 1.00 0.24 H new ATOM 0 HD23 LEU A 61 16.562 20.418 -11.834 1.00 0.24 H new ATOM 977 N LYS A 62 13.041 20.888 -15.123 1.00 0.34 N ATOM 978 CA LYS A 62 12.071 20.817 -16.244 1.00 0.38 C ATOM 979 C LYS A 62 12.499 19.813 -17.344 1.00 0.48 C ATOM 980 O LYS A 62 13.064 20.074 -18.390 1.00 0.52 O ATOM 981 CB LYS A 62 11.693 22.234 -16.630 1.00 0.33 C ATOM 982 CG LYS A 62 10.492 22.097 -17.537 1.00 0.62 C ATOM 983 CD LYS A 62 10.324 23.394 -18.384 1.00 1.62 C ATOM 984 CE LYS A 62 8.932 23.455 -19.030 1.00 2.88 C ATOM 985 NZ LYS A 62 7.920 23.898 -18.005 1.00 4.64 N ATOM 0 H LYS A 62 12.895 21.715 -14.544 1.00 0.34 H new ATOM 0 HA LYS A 62 11.128 20.354 -15.954 1.00 0.38 H new ATOM 0 HB2 LYS A 62 11.454 22.830 -15.749 1.00 0.33 H new ATOM 0 HB3 LYS A 62 12.516 22.735 -17.141 1.00 0.33 H new ATOM 0 HG2 LYS A 62 10.616 21.236 -18.193 1.00 0.62 H new ATOM 0 HG3 LYS A 62 9.595 21.919 -16.944 1.00 0.62 H new ATOM 0 HD2 LYS A 62 10.473 24.268 -17.750 1.00 1.62 H new ATOM 0 HD3 LYS A 62 11.090 23.428 -19.159 1.00 1.62 H new ATOM 0 HE2 LYS A 62 8.940 24.148 -19.871 1.00 2.88 H new ATOM 0 HE3 LYS A 62 8.660 22.476 -19.426 1.00 2.88 H new ATOM 0 HZ1 LYS A 62 7.297 23.101 -17.765 1.00 4.64 H new ATOM 0 HZ2 LYS A 62 8.413 24.223 -17.148 1.00 4.64 H new ATOM 0 HZ3 LYS A 62 7.351 24.677 -18.393 1.00 4.64 H new ATOM 999 N GLY A 63 12.122 18.643 -16.942 1.00 0.55 N ATOM 1000 CA GLY A 63 12.344 17.368 -17.675 1.00 0.68 C ATOM 1001 C GLY A 63 13.212 16.342 -16.906 1.00 0.61 C ATOM 1002 O GLY A 63 13.661 15.413 -17.549 1.00 0.66 O ATOM 0 H GLY A 63 11.627 18.508 -16.060 1.00 0.55 H new ATOM 0 HA2 GLY A 63 11.377 16.916 -17.898 1.00 0.68 H new ATOM 0 HA3 GLY A 63 12.821 17.588 -18.630 1.00 0.68 H new ATOM 1006 N THR A 64 13.467 16.436 -15.609 1.00 0.50 N ATOM 1007 CA THR A 64 14.317 15.383 -14.986 1.00 0.46 C ATOM 1008 C THR A 64 13.512 14.104 -14.801 1.00 0.41 C ATOM 1009 O THR A 64 12.314 14.136 -14.581 1.00 0.45 O ATOM 1010 CB THR A 64 14.703 15.900 -13.559 1.00 0.33 C ATOM 1011 OG1 THR A 64 16.115 16.023 -13.580 1.00 0.44 O ATOM 1012 CG2 THR A 64 14.429 14.880 -12.420 1.00 0.31 C ATOM 0 H THR A 64 13.132 17.171 -14.986 1.00 0.50 H new ATOM 0 HA THR A 64 15.186 15.182 -15.612 1.00 0.46 H new ATOM 0 HB THR A 64 14.127 16.805 -13.365 1.00 0.33 H new ATOM 0 HG1 THR A 64 16.428 16.347 -12.710 1.00 0.44 H new ATOM 0 HG21 THR A 64 14.723 15.314 -11.464 1.00 0.31 H new ATOM 0 HG22 THR A 64 13.367 14.637 -12.397 1.00 0.31 H new ATOM 0 HG23 THR A 64 15.005 13.972 -12.599 1.00 0.31 H new ATOM 1020 N SER A 65 14.191 12.995 -14.883 1.00 0.42 N ATOM 1021 CA SER A 65 13.534 11.659 -14.704 1.00 0.32 C ATOM 1022 C SER A 65 12.713 11.718 -13.386 1.00 0.24 C ATOM 1023 O SER A 65 13.261 11.564 -12.316 1.00 0.39 O ATOM 1024 CB SER A 65 14.667 10.606 -14.567 1.00 0.10 C ATOM 1025 OG SER A 65 15.555 10.955 -15.627 1.00 1.74 O ATOM 0 H SER A 65 15.193 12.952 -15.070 1.00 0.42 H new ATOM 0 HA SER A 65 12.881 11.403 -15.538 1.00 0.32 H new ATOM 0 HB2 SER A 65 15.156 10.663 -13.595 1.00 0.10 H new ATOM 0 HB3 SER A 65 14.289 9.589 -14.675 1.00 0.10 H new ATOM 0 HG SER A 65 16.320 10.342 -15.629 1.00 1.74 H new ATOM 1031 N LYS A 66 11.432 11.971 -13.447 1.00 0.17 N ATOM 1032 CA LYS A 66 10.568 12.041 -12.211 1.00 0.23 C ATOM 1033 C LYS A 66 10.960 11.195 -10.972 1.00 0.18 C ATOM 1034 O LYS A 66 10.880 11.620 -9.836 1.00 0.29 O ATOM 1035 CB LYS A 66 9.173 11.582 -12.626 1.00 0.54 C ATOM 1036 CG LYS A 66 8.490 12.647 -13.478 1.00 0.86 C ATOM 1037 CD LYS A 66 6.977 12.288 -13.564 1.00 0.95 C ATOM 1038 CE LYS A 66 6.277 13.210 -14.557 1.00 2.09 C ATOM 1039 NZ LYS A 66 6.900 12.906 -15.893 1.00 3.08 N ATOM 0 H LYS A 66 10.929 12.137 -14.319 1.00 0.17 H new ATOM 0 HA LYS A 66 10.671 13.072 -11.874 1.00 0.23 H new ATOM 0 HB2 LYS A 66 9.243 10.650 -13.186 1.00 0.54 H new ATOM 0 HB3 LYS A 66 8.573 11.377 -11.740 1.00 0.54 H new ATOM 0 HG2 LYS A 66 8.624 13.634 -13.036 1.00 0.86 H new ATOM 0 HG3 LYS A 66 8.932 12.681 -14.474 1.00 0.86 H new ATOM 0 HD2 LYS A 66 6.858 11.250 -13.874 1.00 0.95 H new ATOM 0 HD3 LYS A 66 6.516 12.382 -12.581 1.00 0.95 H new ATOM 0 HE2 LYS A 66 5.203 13.026 -14.574 1.00 2.09 H new ATOM 0 HE3 LYS A 66 6.417 14.257 -14.287 1.00 2.09 H new ATOM 0 HZ1 LYS A 66 6.220 13.120 -16.650 1.00 3.08 H new ATOM 0 HZ2 LYS A 66 7.752 13.488 -16.019 1.00 3.08 H new ATOM 0 HZ3 LYS A 66 7.159 11.900 -15.934 1.00 3.08 H new ATOM 1053 N GLU A 67 11.386 10.011 -11.274 1.00 0.29 N ATOM 1054 CA GLU A 67 11.809 8.996 -10.294 1.00 0.40 C ATOM 1055 C GLU A 67 13.016 9.559 -9.579 1.00 0.42 C ATOM 1056 O GLU A 67 13.107 9.522 -8.369 1.00 0.45 O ATOM 1057 CB GLU A 67 12.097 7.753 -11.156 1.00 0.49 C ATOM 1058 CG GLU A 67 10.771 7.178 -11.823 1.00 1.09 C ATOM 1059 CD GLU A 67 10.179 8.130 -12.867 1.00 2.73 C ATOM 1060 OE1 GLU A 67 10.971 8.620 -13.665 1.00 3.44 O ATOM 1061 OE2 GLU A 67 8.976 8.318 -12.809 1.00 3.56 O ATOM 0 H GLU A 67 11.461 9.688 -12.238 1.00 0.29 H new ATOM 0 HA GLU A 67 11.089 8.734 -9.519 1.00 0.40 H new ATOM 0 HB2 GLU A 67 12.815 8.009 -11.935 1.00 0.49 H new ATOM 0 HB3 GLU A 67 12.558 6.981 -10.539 1.00 0.49 H new ATOM 0 HG2 GLU A 67 10.991 6.220 -12.293 1.00 1.09 H new ATOM 0 HG3 GLU A 67 10.030 6.989 -11.046 1.00 1.09 H new ATOM 1068 N ASP A 68 13.924 10.078 -10.355 1.00 0.41 N ATOM 1069 CA ASP A 68 15.135 10.666 -9.792 1.00 0.43 C ATOM 1070 C ASP A 68 14.725 11.780 -8.882 1.00 0.34 C ATOM 1071 O ASP A 68 15.202 11.874 -7.771 1.00 0.32 O ATOM 1072 CB ASP A 68 16.034 10.981 -10.941 1.00 0.59 C ATOM 1073 CG ASP A 68 16.713 9.664 -11.254 1.00 0.85 C ATOM 1074 OD1 ASP A 68 17.620 9.348 -10.505 1.00 1.65 O ATOM 1075 OD2 ASP A 68 16.286 8.998 -12.179 1.00 1.28 O ATOM 0 H ASP A 68 13.863 10.113 -11.373 1.00 0.41 H new ATOM 0 HA ASP A 68 15.726 10.015 -9.148 1.00 0.43 H new ATOM 0 HB2 ASP A 68 15.471 11.352 -11.797 1.00 0.59 H new ATOM 0 HB3 ASP A 68 16.760 11.751 -10.679 1.00 0.59 H new ATOM 1080 N ALA A 69 13.837 12.578 -9.398 1.00 0.29 N ATOM 1081 CA ALA A 69 13.307 13.742 -8.614 1.00 0.20 C ATOM 1082 C ALA A 69 12.855 13.198 -7.233 1.00 0.17 C ATOM 1083 O ALA A 69 13.224 13.769 -6.232 1.00 0.15 O ATOM 1084 CB ALA A 69 12.196 14.405 -9.396 1.00 0.04 C ATOM 0 H ALA A 69 13.448 12.479 -10.336 1.00 0.29 H new ATOM 0 HA ALA A 69 14.060 14.512 -8.446 1.00 0.20 H new ATOM 0 HB1 ALA A 69 11.808 15.252 -8.830 1.00 0.04 H new ATOM 0 HB2 ALA A 69 12.583 14.755 -10.353 1.00 0.04 H new ATOM 0 HB3 ALA A 69 11.395 13.687 -9.570 1.00 0.04 H new ATOM 1090 N MET A 70 12.087 12.132 -7.199 1.00 0.19 N ATOM 1091 CA MET A 70 11.631 11.545 -5.935 1.00 0.17 C ATOM 1092 C MET A 70 12.826 11.081 -5.102 1.00 0.20 C ATOM 1093 O MET A 70 13.039 11.557 -4.009 1.00 0.29 O ATOM 1094 CB MET A 70 10.829 10.296 -6.320 1.00 0.27 C ATOM 1095 CG MET A 70 9.502 10.634 -6.975 1.00 0.35 C ATOM 1096 SD MET A 70 8.355 9.247 -7.156 1.00 0.57 S ATOM 1097 CE MET A 70 7.088 9.906 -6.053 1.00 1.35 C ATOM 0 H MET A 70 11.757 11.643 -8.031 1.00 0.19 H new ATOM 0 HA MET A 70 11.055 12.271 -5.361 1.00 0.17 H new ATOM 0 HB2 MET A 70 11.421 9.684 -7.001 1.00 0.27 H new ATOM 0 HB3 MET A 70 10.648 9.696 -5.428 1.00 0.27 H new ATOM 0 HG2 MET A 70 9.014 11.413 -6.389 1.00 0.35 H new ATOM 0 HG3 MET A 70 9.699 11.053 -7.962 1.00 0.35 H new ATOM 0 HE1 MET A 70 6.107 9.555 -6.375 1.00 1.35 H new ATOM 0 HE2 MET A 70 7.279 9.566 -5.035 1.00 1.35 H new ATOM 0 HE3 MET A 70 7.111 10.995 -6.082 1.00 1.35 H new ATOM 1107 N LYS A 71 13.563 10.151 -5.647 1.00 0.19 N ATOM 1108 CA LYS A 71 14.765 9.598 -4.957 1.00 0.22 C ATOM 1109 C LYS A 71 15.500 10.768 -4.304 1.00 0.24 C ATOM 1110 O LYS A 71 15.563 10.887 -3.101 1.00 0.28 O ATOM 1111 CB LYS A 71 15.689 8.990 -6.020 1.00 0.25 C ATOM 1112 CG LYS A 71 15.105 7.765 -6.730 1.00 0.39 C ATOM 1113 CD LYS A 71 16.089 7.511 -7.909 1.00 0.94 C ATOM 1114 CE LYS A 71 15.371 6.844 -9.063 1.00 1.95 C ATOM 1115 NZ LYS A 71 16.193 7.073 -10.296 1.00 2.56 N ATOM 0 H LYS A 71 13.378 9.742 -6.563 1.00 0.19 H new ATOM 0 HA LYS A 71 14.483 8.847 -4.218 1.00 0.22 H new ATOM 0 HB2 LYS A 71 15.920 9.752 -6.764 1.00 0.25 H new ATOM 0 HB3 LYS A 71 16.631 8.709 -5.549 1.00 0.25 H new ATOM 0 HG2 LYS A 71 15.050 6.905 -6.063 1.00 0.39 H new ATOM 0 HG3 LYS A 71 14.093 7.955 -7.088 1.00 0.39 H new ATOM 0 HD2 LYS A 71 16.522 8.455 -8.239 1.00 0.94 H new ATOM 0 HD3 LYS A 71 16.914 6.882 -7.573 1.00 0.94 H new ATOM 0 HE2 LYS A 71 15.251 5.777 -8.875 1.00 1.95 H new ATOM 0 HE3 LYS A 71 14.371 7.261 -9.185 1.00 1.95 H new ATOM 0 HZ1 LYS A 71 15.600 7.504 -11.034 1.00 2.56 H new ATOM 0 HZ2 LYS A 71 16.984 7.710 -10.072 1.00 2.56 H new ATOM 0 HZ3 LYS A 71 16.566 6.164 -10.638 1.00 2.56 H new ATOM 1129 N ALA A 72 16.000 11.617 -5.159 1.00 0.23 N ATOM 1130 CA ALA A 72 16.746 12.811 -4.734 1.00 0.28 C ATOM 1131 C ALA A 72 15.996 13.524 -3.597 1.00 0.32 C ATOM 1132 O ALA A 72 16.500 13.666 -2.501 1.00 0.40 O ATOM 1133 CB ALA A 72 16.855 13.645 -6.017 1.00 0.31 C ATOM 0 H ALA A 72 15.913 11.518 -6.170 1.00 0.23 H new ATOM 0 HA ALA A 72 17.733 12.602 -4.322 1.00 0.28 H new ATOM 0 HB1 ALA A 72 17.399 14.566 -5.807 1.00 0.31 H new ATOM 0 HB2 ALA A 72 17.387 13.074 -6.778 1.00 0.31 H new ATOM 0 HB3 ALA A 72 15.856 13.889 -6.379 1.00 0.31 H new ATOM 1139 N TYR A 73 14.796 13.946 -3.897 1.00 0.28 N ATOM 1140 CA TYR A 73 13.945 14.658 -2.905 1.00 0.36 C ATOM 1141 C TYR A 73 14.067 14.047 -1.510 1.00 0.42 C ATOM 1142 O TYR A 73 14.431 14.721 -0.566 1.00 0.55 O ATOM 1143 CB TYR A 73 12.517 14.484 -3.435 1.00 0.34 C ATOM 1144 CG TYR A 73 11.419 15.308 -2.772 1.00 0.30 C ATOM 1145 CD1 TYR A 73 11.392 16.668 -2.883 1.00 1.77 C ATOM 1146 CD2 TYR A 73 10.422 14.689 -2.060 1.00 1.29 C ATOM 1147 CE1 TYR A 73 10.384 17.391 -2.293 1.00 1.70 C ATOM 1148 CE2 TYR A 73 9.413 15.413 -1.462 1.00 1.37 C ATOM 1149 CZ TYR A 73 9.395 16.780 -1.583 1.00 0.17 C ATOM 1150 OH TYR A 73 8.410 17.573 -1.032 1.00 0.12 O ATOM 0 H TYR A 73 14.362 13.822 -4.812 1.00 0.28 H new ATOM 0 HA TYR A 73 14.240 15.702 -2.801 1.00 0.36 H new ATOM 0 HB2 TYR A 73 12.521 14.721 -4.499 1.00 0.34 H new ATOM 0 HB3 TYR A 73 12.250 13.431 -3.344 1.00 0.34 H new ATOM 0 HD1 TYR A 73 12.166 17.178 -3.437 1.00 1.77 H new ATOM 0 HD2 TYR A 73 10.428 13.613 -1.966 1.00 1.29 H new ATOM 0 HE1 TYR A 73 10.375 18.466 -2.394 1.00 1.70 H new ATOM 0 HE2 TYR A 73 8.641 14.907 -0.901 1.00 1.37 H new ATOM 0 HH TYR A 73 7.596 17.508 -1.574 1.00 0.12 H new ATOM 1160 N ILE A 74 13.792 12.769 -1.452 1.00 0.35 N ATOM 1161 CA ILE A 74 13.853 12.055 -0.128 1.00 0.39 C ATOM 1162 C ILE A 74 15.303 12.045 0.326 1.00 0.42 C ATOM 1163 O ILE A 74 15.647 12.630 1.339 1.00 0.47 O ATOM 1164 CB ILE A 74 13.457 10.535 -0.175 1.00 0.31 C ATOM 1165 CG1 ILE A 74 12.290 10.159 -1.130 1.00 0.31 C ATOM 1166 CG2 ILE A 74 13.210 10.106 1.283 1.00 0.39 C ATOM 1167 CD1 ILE A 74 11.442 11.316 -1.510 1.00 2.63 C ATOM 0 H ILE A 74 13.530 12.190 -2.250 1.00 0.35 H new ATOM 0 HA ILE A 74 13.152 12.584 0.518 1.00 0.39 H new ATOM 0 HB ILE A 74 14.278 9.978 -0.626 1.00 0.31 H new ATOM 0 HG12 ILE A 74 12.701 9.707 -2.033 1.00 0.31 H new ATOM 0 HG13 ILE A 74 11.667 9.404 -0.651 1.00 0.31 H new ATOM 0 HG21 ILE A 74 12.930 9.053 1.310 1.00 0.39 H new ATOM 0 HG22 ILE A 74 14.119 10.255 1.865 1.00 0.39 H new ATOM 0 HG23 ILE A 74 12.405 10.706 1.708 1.00 0.39 H new ATOM 0 HD11 ILE A 74 10.648 10.981 -2.177 1.00 2.63 H new ATOM 0 HD12 ILE A 74 11.003 11.755 -0.614 1.00 2.63 H new ATOM 0 HD13 ILE A 74 12.052 12.063 -2.018 1.00 2.63 H new ATOM 1179 N ASP A 75 16.093 11.368 -0.472 1.00 0.39 N ATOM 1180 CA ASP A 75 17.545 11.204 -0.252 1.00 0.42 C ATOM 1181 C ASP A 75 18.207 12.440 0.351 1.00 0.41 C ATOM 1182 O ASP A 75 19.146 12.356 1.121 1.00 0.39 O ATOM 1183 CB ASP A 75 18.144 10.775 -1.623 1.00 0.48 C ATOM 1184 CG ASP A 75 17.654 9.413 -2.150 1.00 0.58 C ATOM 1185 OD1 ASP A 75 16.955 8.753 -1.399 1.00 0.49 O ATOM 1186 OD2 ASP A 75 18.030 9.129 -3.281 1.00 1.71 O ATOM 0 H ASP A 75 15.757 10.900 -1.314 1.00 0.39 H new ATOM 0 HA ASP A 75 17.739 10.439 0.500 1.00 0.42 H new ATOM 0 HB2 ASP A 75 17.906 11.540 -2.362 1.00 0.48 H new ATOM 0 HB3 ASP A 75 19.230 10.744 -1.534 1.00 0.48 H new ATOM 1191 N LYS A 76 17.671 13.564 -0.035 1.00 0.43 N ATOM 1192 CA LYS A 76 18.212 14.849 0.466 1.00 0.46 C ATOM 1193 C LYS A 76 17.391 15.385 1.655 1.00 0.48 C ATOM 1194 O LYS A 76 17.974 15.887 2.593 1.00 0.54 O ATOM 1195 CB LYS A 76 18.128 15.832 -0.719 1.00 0.48 C ATOM 1196 CG LYS A 76 19.484 16.393 -1.276 1.00 0.74 C ATOM 1197 CD LYS A 76 20.752 16.033 -0.443 1.00 1.09 C ATOM 1198 CE LYS A 76 20.794 16.725 0.928 1.00 1.49 C ATOM 1199 NZ LYS A 76 22.029 16.227 1.606 1.00 2.20 N ATOM 0 H LYS A 76 16.882 13.644 -0.676 1.00 0.43 H new ATOM 0 HA LYS A 76 19.233 14.723 0.825 1.00 0.46 H new ATOM 0 HB2 LYS A 76 17.606 15.334 -1.536 1.00 0.48 H new ATOM 0 HB3 LYS A 76 17.511 16.677 -0.415 1.00 0.48 H new ATOM 0 HG2 LYS A 76 19.621 16.022 -2.292 1.00 0.74 H new ATOM 0 HG3 LYS A 76 19.409 17.479 -1.340 1.00 0.74 H new ATOM 0 HD2 LYS A 76 20.789 14.953 -0.299 1.00 1.09 H new ATOM 0 HD3 LYS A 76 21.641 16.310 -1.009 1.00 1.09 H new ATOM 0 HE2 LYS A 76 20.821 17.809 0.817 1.00 1.49 H new ATOM 0 HE3 LYS A 76 19.905 16.486 1.512 1.00 1.49 H new ATOM 0 HZ1 LYS A 76 22.393 16.961 2.246 1.00 2.20 H new ATOM 0 HZ2 LYS A 76 21.804 15.371 2.153 1.00 2.20 H new ATOM 0 HZ3 LYS A 76 22.750 16.002 0.892 1.00 2.20 H new ATOM 1213 N VAL A 77 16.084 15.279 1.610 1.00 0.49 N ATOM 1214 CA VAL A 77 15.164 15.752 2.681 1.00 0.47 C ATOM 1215 C VAL A 77 15.722 15.403 4.036 1.00 0.40 C ATOM 1216 O VAL A 77 15.627 16.192 4.948 1.00 0.35 O ATOM 1217 CB VAL A 77 13.811 15.059 2.398 1.00 0.48 C ATOM 1218 CG1 VAL A 77 13.211 14.411 3.594 1.00 0.48 C ATOM 1219 CG2 VAL A 77 12.819 16.061 1.840 1.00 0.39 C ATOM 0 H VAL A 77 15.595 14.856 0.821 1.00 0.49 H new ATOM 0 HA VAL A 77 15.041 16.835 2.684 1.00 0.47 H new ATOM 0 HB VAL A 77 14.025 14.273 1.674 1.00 0.48 H new ATOM 0 HG11 VAL A 77 12.264 13.946 3.319 1.00 0.48 H new ATOM 0 HG12 VAL A 77 13.892 13.650 3.976 1.00 0.48 H new ATOM 0 HG13 VAL A 77 13.036 15.161 4.365 1.00 0.48 H new ATOM 0 HG21 VAL A 77 11.870 15.563 1.644 1.00 0.39 H new ATOM 0 HG22 VAL A 77 12.666 16.862 2.563 1.00 0.39 H new ATOM 0 HG23 VAL A 77 13.208 16.479 0.911 1.00 0.39 H new ATOM 1229 N GLU A 78 16.244 14.215 4.142 1.00 0.38 N ATOM 1230 CA GLU A 78 16.850 13.756 5.449 1.00 0.31 C ATOM 1231 C GLU A 78 17.446 14.953 6.253 1.00 0.23 C ATOM 1232 O GLU A 78 17.197 15.164 7.426 1.00 0.33 O ATOM 1233 CB GLU A 78 17.920 12.714 5.150 1.00 0.63 C ATOM 1234 CG GLU A 78 18.358 12.089 6.516 1.00 1.00 C ATOM 1235 CD GLU A 78 17.168 11.538 7.339 1.00 0.19 C ATOM 1236 OE1 GLU A 78 16.271 10.995 6.714 1.00 1.09 O ATOM 1237 OE2 GLU A 78 17.205 11.690 8.548 1.00 0.73 O ATOM 0 H GLU A 78 16.283 13.531 3.386 1.00 0.38 H new ATOM 0 HA GLU A 78 16.071 13.315 6.071 1.00 0.31 H new ATOM 0 HB2 GLU A 78 17.531 11.945 4.483 1.00 0.63 H new ATOM 0 HB3 GLU A 78 18.772 13.172 4.646 1.00 0.63 H new ATOM 0 HG2 GLU A 78 19.068 11.283 6.329 1.00 1.00 H new ATOM 0 HG3 GLU A 78 18.880 12.844 7.104 1.00 1.00 H new ATOM 1244 N GLU A 79 18.226 15.723 5.541 1.00 0.35 N ATOM 1245 CA GLU A 79 18.863 16.918 6.164 1.00 0.47 C ATOM 1246 C GLU A 79 17.765 17.710 6.888 1.00 0.42 C ATOM 1247 O GLU A 79 17.835 18.010 8.061 1.00 0.55 O ATOM 1248 CB GLU A 79 19.466 17.773 5.055 1.00 0.68 C ATOM 1249 CG GLU A 79 20.895 17.219 4.695 1.00 1.07 C ATOM 1250 CD GLU A 79 21.826 18.310 4.139 1.00 1.51 C ATOM 1251 OE1 GLU A 79 21.623 19.445 4.549 1.00 2.46 O ATOM 1252 OE2 GLU A 79 22.686 17.937 3.354 1.00 1.13 O ATOM 0 H GLU A 79 18.449 15.576 4.557 1.00 0.35 H new ATOM 0 HA GLU A 79 19.644 16.631 6.868 1.00 0.47 H new ATOM 0 HB2 GLU A 79 18.823 17.755 4.175 1.00 0.68 H new ATOM 0 HB3 GLU A 79 19.536 18.812 5.377 1.00 0.68 H new ATOM 0 HG2 GLU A 79 21.346 16.780 5.585 1.00 1.07 H new ATOM 0 HG3 GLU A 79 20.797 16.420 3.960 1.00 1.07 H new ATOM 1259 N LEU A 80 16.738 18.030 6.156 1.00 0.30 N ATOM 1260 CA LEU A 80 15.594 18.793 6.721 1.00 0.34 C ATOM 1261 C LEU A 80 14.991 18.040 7.864 1.00 0.38 C ATOM 1262 O LEU A 80 14.633 18.576 8.890 1.00 0.60 O ATOM 1263 CB LEU A 80 14.664 19.001 5.604 1.00 0.23 C ATOM 1264 CG LEU A 80 15.515 19.628 4.451 1.00 0.30 C ATOM 1265 CD1 LEU A 80 14.514 20.194 3.608 1.00 0.26 C ATOM 1266 CD2 LEU A 80 16.446 20.772 4.921 1.00 0.50 C ATOM 0 H LEU A 80 16.642 17.790 5.169 1.00 0.30 H new ATOM 0 HA LEU A 80 15.888 19.757 7.136 1.00 0.34 H new ATOM 0 HB2 LEU A 80 14.214 18.059 5.290 1.00 0.23 H new ATOM 0 HB3 LEU A 80 13.848 19.664 5.893 1.00 0.23 H new ATOM 0 HG LEU A 80 16.168 18.883 3.996 1.00 0.30 H new ATOM 0 HD11 LEU A 80 14.988 20.671 2.750 1.00 0.26 H new ATOM 0 HD12 LEU A 80 13.843 19.408 3.261 1.00 0.26 H new ATOM 0 HD13 LEU A 80 13.945 20.936 4.167 1.00 0.26 H new ATOM 0 HD21 LEU A 80 17.005 21.159 4.069 1.00 0.50 H new ATOM 0 HD22 LEU A 80 15.848 21.572 5.356 1.00 0.50 H new ATOM 0 HD23 LEU A 80 17.142 20.391 5.669 1.00 0.50 H new ATOM 1278 N LYS A 81 14.898 16.780 7.645 1.00 0.26 N ATOM 1279 CA LYS A 81 14.321 15.930 8.708 1.00 0.36 C ATOM 1280 C LYS A 81 15.228 15.911 9.960 1.00 0.48 C ATOM 1281 O LYS A 81 14.764 15.643 11.048 1.00 0.60 O ATOM 1282 CB LYS A 81 14.283 14.556 8.112 1.00 0.36 C ATOM 1283 CG LYS A 81 13.357 13.677 8.963 1.00 0.43 C ATOM 1284 CD LYS A 81 13.197 12.314 8.245 1.00 0.68 C ATOM 1285 CE LYS A 81 12.366 11.328 9.082 1.00 0.95 C ATOM 1286 NZ LYS A 81 11.049 11.948 9.426 1.00 1.66 N ATOM 0 H LYS A 81 15.189 16.299 6.794 1.00 0.26 H new ATOM 0 HA LYS A 81 13.343 16.294 9.024 1.00 0.36 H new ATOM 0 HB2 LYS A 81 13.923 14.600 7.084 1.00 0.36 H new ATOM 0 HB3 LYS A 81 15.286 14.130 8.081 1.00 0.36 H new ATOM 0 HG2 LYS A 81 13.776 13.536 9.959 1.00 0.43 H new ATOM 0 HG3 LYS A 81 12.387 14.157 9.090 1.00 0.43 H new ATOM 0 HD2 LYS A 81 12.717 12.466 7.278 1.00 0.68 H new ATOM 0 HD3 LYS A 81 14.181 11.887 8.050 1.00 0.68 H new ATOM 0 HE2 LYS A 81 12.210 10.404 8.525 1.00 0.95 H new ATOM 0 HE3 LYS A 81 12.904 11.064 9.992 1.00 0.95 H new ATOM 0 HZ1 LYS A 81 10.937 11.975 10.460 1.00 1.66 H new ATOM 0 HZ2 LYS A 81 11.012 12.916 9.048 1.00 1.66 H new ATOM 0 HZ3 LYS A 81 10.281 11.384 9.010 1.00 1.66 H new ATOM 1300 N LYS A 82 16.485 16.206 9.775 1.00 0.46 N ATOM 1301 CA LYS A 82 17.466 16.204 10.887 1.00 0.61 C ATOM 1302 C LYS A 82 17.708 17.589 11.506 1.00 0.78 C ATOM 1303 O LYS A 82 18.130 17.740 12.639 1.00 1.02 O ATOM 1304 CB LYS A 82 18.667 15.720 10.062 1.00 0.47 C ATOM 1305 CG LYS A 82 19.960 16.214 10.565 1.00 1.36 C ATOM 1306 CD LYS A 82 20.283 15.547 11.951 1.00 2.00 C ATOM 1307 CE LYS A 82 21.404 16.259 12.718 1.00 3.84 C ATOM 1308 NZ LYS A 82 20.828 17.503 13.328 1.00 5.55 N ATOM 0 H LYS A 82 16.881 16.456 8.869 1.00 0.46 H new ATOM 0 HA LYS A 82 17.190 15.620 11.765 1.00 0.61 H new ATOM 0 HB2 LYS A 82 18.680 14.630 10.058 1.00 0.47 H new ATOM 0 HB3 LYS A 82 18.541 16.041 9.028 1.00 0.47 H new ATOM 0 HG2 LYS A 82 20.750 15.987 9.849 1.00 1.36 H new ATOM 0 HG3 LYS A 82 19.929 17.298 10.672 1.00 1.36 H new ATOM 0 HD2 LYS A 82 19.381 15.540 12.563 1.00 2.00 H new ATOM 0 HD3 LYS A 82 20.566 14.507 11.789 1.00 2.00 H new ATOM 0 HE2 LYS A 82 21.810 15.608 13.492 1.00 3.84 H new ATOM 0 HE3 LYS A 82 22.226 16.508 12.047 1.00 3.84 H new ATOM 0 HZ1 LYS A 82 21.225 18.339 12.853 1.00 5.55 H new ATOM 0 HZ2 LYS A 82 19.794 17.499 13.214 1.00 5.55 H new ATOM 0 HZ3 LYS A 82 21.064 17.535 14.340 1.00 5.55 H new ATOM 1322 N LYS A 83 17.462 18.545 10.673 1.00 0.93 N ATOM 1323 CA LYS A 83 17.596 19.988 10.979 1.00 1.11 C ATOM 1324 C LYS A 83 16.293 20.692 11.451 1.00 1.13 C ATOM 1325 O LYS A 83 16.271 21.479 12.375 1.00 1.28 O ATOM 1326 CB LYS A 83 18.078 20.525 9.624 1.00 1.01 C ATOM 1327 CG LYS A 83 18.901 21.806 9.709 1.00 1.08 C ATOM 1328 CD LYS A 83 19.414 22.114 8.266 1.00 0.79 C ATOM 1329 CE LYS A 83 20.481 21.095 7.788 1.00 2.24 C ATOM 1330 NZ LYS A 83 20.829 21.426 6.377 1.00 2.50 N ATOM 0 H LYS A 83 17.149 18.369 9.718 1.00 0.93 H new ATOM 0 HA LYS A 83 18.258 20.173 11.825 1.00 1.11 H new ATOM 0 HB2 LYS A 83 18.675 19.756 9.134 1.00 1.01 H new ATOM 0 HB3 LYS A 83 17.210 20.707 8.990 1.00 1.01 H new ATOM 0 HG2 LYS A 83 18.295 22.629 10.087 1.00 1.08 H new ATOM 0 HG3 LYS A 83 19.737 21.683 10.398 1.00 1.08 H new ATOM 0 HD2 LYS A 83 18.572 22.105 7.574 1.00 0.79 H new ATOM 0 HD3 LYS A 83 19.837 23.118 8.240 1.00 0.79 H new ATOM 0 HE2 LYS A 83 21.367 21.144 8.421 1.00 2.24 H new ATOM 0 HE3 LYS A 83 20.096 20.078 7.858 1.00 2.24 H new ATOM 0 HZ1 LYS A 83 20.873 20.551 5.816 1.00 2.50 H new ATOM 0 HZ2 LYS A 83 20.104 22.057 5.979 1.00 2.50 H new ATOM 0 HZ3 LYS A 83 21.754 21.901 6.350 1.00 2.50 H new ATOM 1344 N TYR A 84 15.248 20.366 10.765 1.00 0.99 N ATOM 1345 CA TYR A 84 13.881 20.915 11.032 1.00 0.99 C ATOM 1346 C TYR A 84 12.856 19.887 11.573 1.00 1.19 C ATOM 1347 O TYR A 84 12.263 20.141 12.598 1.00 1.41 O ATOM 1348 CB TYR A 84 13.465 21.534 9.665 1.00 0.61 C ATOM 1349 CG TYR A 84 14.625 22.427 9.180 1.00 0.64 C ATOM 1350 CD1 TYR A 84 15.220 23.310 10.068 1.00 1.67 C ATOM 1351 CD2 TYR A 84 15.108 22.361 7.881 1.00 0.95 C ATOM 1352 CE1 TYR A 84 16.266 24.107 9.682 1.00 1.89 C ATOM 1353 CE2 TYR A 84 16.163 23.175 7.520 1.00 0.89 C ATOM 1354 CZ TYR A 84 16.752 24.054 8.410 1.00 1.07 C ATOM 1355 OH TYR A 84 17.817 24.865 8.063 1.00 1.38 O ATOM 0 H TYR A 84 15.278 19.707 9.987 1.00 0.99 H new ATOM 0 HA TYR A 84 13.899 21.642 11.844 1.00 0.99 H new ATOM 0 HB2 TYR A 84 13.257 20.749 8.938 1.00 0.61 H new ATOM 0 HB3 TYR A 84 12.552 22.119 9.773 1.00 0.61 H new ATOM 0 HD1 TYR A 84 14.853 23.371 11.082 1.00 1.67 H new ATOM 0 HD2 TYR A 84 14.666 21.684 7.164 1.00 0.95 H new ATOM 0 HE1 TYR A 84 16.711 24.786 10.395 1.00 1.89 H new ATOM 0 HE2 TYR A 84 16.541 23.124 6.509 1.00 0.89 H new ATOM 0 HH TYR A 84 17.696 25.189 7.146 1.00 1.38 H new ATOM 1365 N GLY A 85 12.688 18.776 10.901 1.00 1.19 N ATOM 1366 CA GLY A 85 11.710 17.699 11.329 1.00 1.53 C ATOM 1367 C GLY A 85 10.297 18.190 11.723 1.00 1.47 C ATOM 1368 O GLY A 85 9.990 19.361 11.714 1.00 1.09 O ATOM 0 H GLY A 85 13.199 18.554 10.046 1.00 1.19 H new ATOM 0 HA2 GLY A 85 11.611 16.981 10.515 1.00 1.53 H new ATOM 0 HA3 GLY A 85 12.137 17.163 12.177 1.00 1.53 H new ATOM 1372 N ILE A 86 9.431 17.289 12.079 1.00 1.91 N ATOM 1373 CA ILE A 86 8.056 17.632 12.472 1.00 2.00 C ATOM 1374 C ILE A 86 8.018 17.473 14.014 1.00 2.00 C ATOM 1375 O ILE A 86 8.583 16.512 14.510 1.00 2.08 O ATOM 1376 CB ILE A 86 7.155 16.731 11.615 1.00 2.89 C ATOM 1377 CG1 ILE A 86 6.042 16.339 12.466 1.00 2.48 C ATOM 1378 CG2 ILE A 86 7.839 15.444 11.067 1.00 3.48 C ATOM 1379 CD1 ILE A 86 4.847 16.148 11.564 1.00 2.80 C ATOM 1380 OXT ILE A 86 7.443 18.326 14.660 1.00 2.78 O ATOM 0 H ILE A 86 9.637 16.290 12.112 1.00 1.91 H new ATOM 0 HA ILE A 86 7.700 18.645 12.286 1.00 2.00 H new ATOM 0 HB ILE A 86 6.864 17.300 10.732 1.00 2.89 H new ATOM 0 HG12 ILE A 86 6.272 15.419 13.003 1.00 2.48 H new ATOM 0 HG13 ILE A 86 5.841 17.104 13.216 1.00 2.48 H new ATOM 0 HG21 ILE A 86 7.122 14.875 10.475 1.00 3.48 H new ATOM 0 HG22 ILE A 86 8.687 15.721 10.441 1.00 3.48 H new ATOM 0 HG23 ILE A 86 8.187 14.834 11.900 1.00 3.48 H new ATOM 0 HD11 ILE A 86 3.984 15.852 12.161 1.00 2.80 H new ATOM 0 HD12 ILE A 86 4.628 17.083 11.048 1.00 2.80 H new ATOM 0 HD13 ILE A 86 5.065 15.371 10.831 1.00 2.80 H new