USER MOD reduce.3.24.130724 H: found=0, std=0, add=641, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 642 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 112 SER OG : rot -82:sc= 0.311 USER MOD Set 1.2: A 113 HIS : no HD1:sc= 0.297 K(o=0.61,f=-0.01) USER MOD Single : A 77 THR OG1 : rot -101:sc= 0.727 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 154:sc= 0.0977 (180deg=-0.297) USER MOD Single : A 82 GLN : amide:sc= -1.25! C(o=-1.2!,f=-6.6!) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 90 HIS : no HD1:sc= -0.124 K(o=-0.12,f=-3.1!) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= -2.6! USER MOD Single : A 100 GLN : amide:sc= -0.137 X(o=-0.14,f=-0.13) USER MOD Single : A 102 LYS NZ :NH3+ -145:sc= 0.753 (180deg=-0.963!) USER MOD Single : A 103 GLN :FLIP amide:sc= -0.201 F(o=-1.9,f=-0.2) USER MOD Single : A 104 HIS : no HE2:sc= 1.2 K(o=1.2,f=-5!) USER MOD Single : A 107 SER OG : rot -14:sc= 0.0988 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 SER OG : rot -32:sc= 0.153 USER MOD Single : A 118 LYS NZ :NH3+ -146:sc= -0.362 (180deg=-1.06) USER MOD Single : A 122 LYS NZ :NH3+ 167:sc= -0.039 (180deg=-0.227) USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 129 ASN : amide:sc= 1.13 K(o=1.1,f=-0.18) USER MOD Single : A 133 SER OG : rot 180:sc= 0.0296 USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 138 THR OG1 : rot 180:sc=-0.00811 USER MOD Single : A 141 ASN : amide:sc=-0.00684 K(o=-0.0068,f=-0.96) USER MOD Single : A 142 SER OG : rot -96:sc= 1.21 USER MOD Single : A 143 THR OG1 : rot 180:sc= 0 USER MOD Single : A 145 THR OG1 : rot 180:sc= 0 USER MOD Single : A 147 MET CE :methyl 161:sc= 0 (180deg=-0.146) USER MOD Single : A 149 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0244) USER MOD ----------------------------------------------------------------- ATOM 54 N LEU A 76 8.036 -3.034 -5.971 1.00 0.41 N ATOM 55 CA LEU A 76 7.420 -3.441 -4.726 1.00 0.29 C ATOM 56 C LEU A 76 6.203 -4.307 -5.004 1.00 0.23 C ATOM 57 O LEU A 76 5.219 -3.852 -5.597 1.00 0.28 O ATOM 58 CB LEU A 76 7.015 -2.226 -3.880 1.00 0.26 C ATOM 59 CG LEU A 76 8.165 -1.345 -3.373 1.00 0.35 C ATOM 60 CD1 LEU A 76 8.672 -0.418 -4.468 1.00 0.54 C ATOM 61 CD2 LEU A 76 7.722 -0.546 -2.158 1.00 0.27 C ATOM 0 HA LEU A 76 8.153 -4.018 -4.162 1.00 0.29 H new ATOM 0 HB2 LEU A 76 6.342 -1.605 -4.471 1.00 0.26 H new ATOM 0 HB3 LEU A 76 6.449 -2.581 -3.019 1.00 0.26 H new ATOM 0 HG LEU A 76 8.988 -1.997 -3.081 1.00 0.35 H new ATOM 0 HD11 LEU A 76 9.486 0.193 -4.079 1.00 0.54 H new ATOM 0 HD12 LEU A 76 9.033 -1.011 -5.308 1.00 0.54 H new ATOM 0 HD13 LEU A 76 7.860 0.228 -4.802 1.00 0.54 H new ATOM 0 HD21 LEU A 76 8.548 0.074 -1.809 1.00 0.27 H new ATOM 0 HD22 LEU A 76 6.879 0.090 -2.428 1.00 0.27 H new ATOM 0 HD23 LEU A 76 7.421 -1.229 -1.364 1.00 0.27 H new ATOM 73 N THR A 77 6.281 -5.561 -4.596 1.00 0.20 N ATOM 74 CA THR A 77 5.157 -6.465 -4.703 1.00 0.16 C ATOM 75 C THR A 77 4.235 -6.262 -3.512 1.00 0.16 C ATOM 76 O THR A 77 4.437 -6.841 -2.445 1.00 0.20 O ATOM 77 CB THR A 77 5.617 -7.937 -4.757 1.00 0.15 C ATOM 78 OG1 THR A 77 6.565 -8.118 -5.823 1.00 0.21 O ATOM 79 CG2 THR A 77 4.432 -8.877 -4.949 1.00 0.26 C ATOM 0 H THR A 77 7.118 -5.975 -4.186 1.00 0.20 H new ATOM 0 HA THR A 77 4.629 -6.245 -5.631 1.00 0.16 H new ATOM 0 HB THR A 77 6.092 -8.179 -3.806 1.00 0.15 H new ATOM 0 HG1 THR A 77 6.115 -8.517 -6.597 1.00 0.21 H new ATOM 0 HG21 THR A 77 4.787 -9.907 -4.983 1.00 0.26 H new ATOM 0 HG22 THR A 77 3.736 -8.760 -4.118 1.00 0.26 H new ATOM 0 HG23 THR A 77 3.925 -8.637 -5.883 1.00 0.26 H new ATOM 87 N LEU A 78 3.239 -5.417 -3.694 1.00 0.17 N ATOM 88 CA LEU A 78 2.301 -5.111 -2.637 1.00 0.20 C ATOM 89 C LEU A 78 1.283 -6.236 -2.542 1.00 0.18 C ATOM 90 O LEU A 78 0.311 -6.291 -3.301 1.00 0.20 O ATOM 91 CB LEU A 78 1.614 -3.771 -2.908 1.00 0.22 C ATOM 92 CG LEU A 78 2.543 -2.647 -3.384 1.00 0.30 C ATOM 93 CD1 LEU A 78 1.754 -1.376 -3.642 1.00 0.69 C ATOM 94 CD2 LEU A 78 3.647 -2.386 -2.371 1.00 0.72 C ATOM 0 H LEU A 78 3.060 -4.928 -4.571 1.00 0.17 H new ATOM 0 HA LEU A 78 2.829 -5.026 -1.687 1.00 0.20 H new ATOM 0 HB2 LEU A 78 0.839 -3.923 -3.659 1.00 0.22 H new ATOM 0 HB3 LEU A 78 1.114 -3.446 -1.996 1.00 0.22 H new ATOM 0 HG LEU A 78 3.006 -2.967 -4.318 1.00 0.30 H new ATOM 0 HD11 LEU A 78 2.430 -0.590 -3.979 1.00 0.69 H new ATOM 0 HD12 LEU A 78 1.004 -1.563 -4.410 1.00 0.69 H new ATOM 0 HD13 LEU A 78 1.261 -1.061 -2.722 1.00 0.69 H new ATOM 0 HD21 LEU A 78 4.291 -1.585 -2.733 1.00 0.72 H new ATOM 0 HD22 LEU A 78 3.205 -2.094 -1.418 1.00 0.72 H new ATOM 0 HD23 LEU A 78 4.237 -3.292 -2.234 1.00 0.72 H new ATOM 106 N LYS A 79 1.533 -7.149 -1.622 1.00 0.19 N ATOM 107 CA LYS A 79 0.741 -8.351 -1.496 1.00 0.19 C ATOM 108 C LYS A 79 -0.340 -8.170 -0.437 1.00 0.17 C ATOM 109 O LYS A 79 -0.047 -8.016 0.750 1.00 0.18 O ATOM 110 CB LYS A 79 1.658 -9.525 -1.150 1.00 0.29 C ATOM 111 CG LYS A 79 0.986 -10.882 -1.193 1.00 0.35 C ATOM 112 CD LYS A 79 2.016 -11.989 -1.063 1.00 0.88 C ATOM 113 CE LYS A 79 1.378 -13.366 -1.086 1.00 0.97 C ATOM 114 NZ LYS A 79 2.403 -14.443 -1.098 1.00 1.39 N ATOM 0 H LYS A 79 2.291 -7.075 -0.943 1.00 0.19 H new ATOM 0 HA LYS A 79 0.243 -8.559 -2.443 1.00 0.19 H new ATOM 0 HB2 LYS A 79 2.500 -9.528 -1.843 1.00 0.29 H new ATOM 0 HB3 LYS A 79 2.067 -9.368 -0.152 1.00 0.29 H new ATOM 0 HG2 LYS A 79 0.257 -10.959 -0.387 1.00 0.35 H new ATOM 0 HG3 LYS A 79 0.439 -10.994 -2.129 1.00 0.35 H new ATOM 0 HD2 LYS A 79 2.737 -11.910 -1.876 1.00 0.88 H new ATOM 0 HD3 LYS A 79 2.570 -11.862 -0.133 1.00 0.88 H new ATOM 0 HE2 LYS A 79 0.735 -13.484 -0.214 1.00 0.97 H new ATOM 0 HE3 LYS A 79 0.742 -13.458 -1.966 1.00 0.97 H new ATOM 0 HZ1 LYS A 79 1.932 -15.370 -1.114 1.00 1.39 H new ATOM 0 HZ2 LYS A 79 3.001 -14.344 -1.943 1.00 1.39 H new ATOM 0 HZ3 LYS A 79 2.994 -14.369 -0.245 1.00 1.39 H new ATOM 128 N LYS A 80 -1.587 -8.173 -0.878 1.00 0.20 N ATOM 129 CA LYS A 80 -2.712 -7.920 0.004 1.00 0.20 C ATOM 130 C LYS A 80 -3.334 -9.225 0.463 1.00 0.26 C ATOM 131 O LYS A 80 -3.955 -9.941 -0.324 1.00 0.30 O ATOM 132 CB LYS A 80 -3.754 -7.065 -0.712 1.00 0.18 C ATOM 133 CG LYS A 80 -4.918 -6.646 0.163 1.00 0.21 C ATOM 134 CD LYS A 80 -5.909 -5.809 -0.622 1.00 0.26 C ATOM 135 CE LYS A 80 -7.130 -5.471 0.204 1.00 0.30 C ATOM 136 NZ LYS A 80 -8.136 -4.702 -0.574 1.00 0.40 N ATOM 0 H LYS A 80 -1.846 -8.349 -1.849 1.00 0.20 H new ATOM 0 HA LYS A 80 -2.352 -7.382 0.881 1.00 0.20 H new ATOM 0 HB2 LYS A 80 -3.268 -6.172 -1.104 1.00 0.18 H new ATOM 0 HB3 LYS A 80 -4.138 -7.620 -1.568 1.00 0.18 H new ATOM 0 HG2 LYS A 80 -5.417 -7.530 0.560 1.00 0.21 H new ATOM 0 HG3 LYS A 80 -4.550 -6.077 1.017 1.00 0.21 H new ATOM 0 HD2 LYS A 80 -5.427 -4.889 -0.953 1.00 0.26 H new ATOM 0 HD3 LYS A 80 -6.214 -6.350 -1.518 1.00 0.26 H new ATOM 0 HE2 LYS A 80 -7.584 -6.391 0.573 1.00 0.30 H new ATOM 0 HE3 LYS A 80 -6.828 -4.892 1.077 1.00 0.30 H new ATOM 0 HZ1 LYS A 80 -9.082 -4.862 -0.173 1.00 0.40 H new ATOM 0 HZ2 LYS A 80 -7.908 -3.688 -0.529 1.00 0.40 H new ATOM 0 HZ3 LYS A 80 -8.123 -5.016 -1.565 1.00 0.40 H new ATOM 150 N ILE A 81 -3.181 -9.518 1.741 1.00 0.33 N ATOM 151 CA ILE A 81 -3.657 -10.776 2.297 1.00 0.42 C ATOM 152 C ILE A 81 -4.804 -10.553 3.282 1.00 0.42 C ATOM 153 O ILE A 81 -5.114 -11.421 4.097 1.00 0.46 O ATOM 154 CB ILE A 81 -2.514 -11.547 2.998 1.00 0.53 C ATOM 155 CG1 ILE A 81 -1.915 -10.720 4.143 1.00 0.51 C ATOM 156 CG2 ILE A 81 -1.435 -11.918 1.990 1.00 0.64 C ATOM 157 CD1 ILE A 81 -0.847 -11.452 4.926 1.00 0.63 C ATOM 0 H ILE A 81 -2.730 -8.902 2.417 1.00 0.33 H new ATOM 0 HA ILE A 81 -4.025 -11.373 1.462 1.00 0.42 H new ATOM 0 HB ILE A 81 -2.929 -12.461 3.423 1.00 0.53 H new ATOM 0 HG12 ILE A 81 -1.490 -9.804 3.734 1.00 0.51 H new ATOM 0 HG13 ILE A 81 -2.714 -10.425 4.823 1.00 0.51 H new ATOM 0 HG21 ILE A 81 -0.636 -12.460 2.495 1.00 0.64 H new ATOM 0 HG22 ILE A 81 -1.865 -12.548 1.212 1.00 0.64 H new ATOM 0 HG23 ILE A 81 -1.030 -11.011 1.540 1.00 0.64 H new ATOM 0 HD11 ILE A 81 -0.470 -10.806 5.719 1.00 0.63 H new ATOM 0 HD12 ILE A 81 -1.272 -12.355 5.365 1.00 0.63 H new ATOM 0 HD13 ILE A 81 -0.029 -11.724 4.259 1.00 0.63 H new ATOM 169 N GLN A 82 -5.440 -9.387 3.200 1.00 0.44 N ATOM 170 CA GLN A 82 -6.530 -9.058 4.113 1.00 0.47 C ATOM 171 C GLN A 82 -7.899 -9.312 3.481 1.00 0.49 C ATOM 172 O GLN A 82 -8.423 -10.419 3.574 1.00 0.54 O ATOM 173 CB GLN A 82 -6.411 -7.612 4.595 1.00 0.46 C ATOM 174 CG GLN A 82 -5.205 -7.365 5.491 1.00 0.47 C ATOM 175 CD GLN A 82 -5.291 -8.098 6.822 1.00 0.57 C ATOM 176 OE1 GLN A 82 -5.875 -9.178 6.921 1.00 1.22 O ATOM 177 NE2 GLN A 82 -4.718 -7.513 7.860 1.00 1.15 N ATOM 0 H GLN A 82 -5.222 -8.661 2.518 1.00 0.44 H new ATOM 0 HA GLN A 82 -6.446 -9.719 4.976 1.00 0.47 H new ATOM 0 HB2 GLN A 82 -6.351 -6.953 3.729 1.00 0.46 H new ATOM 0 HB3 GLN A 82 -7.317 -7.343 5.138 1.00 0.46 H new ATOM 0 HG2 GLN A 82 -4.301 -7.678 4.968 1.00 0.47 H new ATOM 0 HG3 GLN A 82 -5.111 -6.295 5.677 1.00 0.47 H new ATOM 0 HE21 GLN A 82 -4.242 -6.618 7.743 1.00 1.15 H new ATOM 0 HE22 GLN A 82 -4.751 -7.956 8.778 1.00 1.15 H new ATOM 186 N ALA A 83 -8.470 -8.299 2.826 1.00 0.46 N ATOM 187 CA ALA A 83 -9.774 -8.447 2.175 1.00 0.50 C ATOM 188 C ALA A 83 -10.054 -7.280 1.231 1.00 0.47 C ATOM 189 O ALA A 83 -9.718 -6.139 1.541 1.00 0.47 O ATOM 190 CB ALA A 83 -10.884 -8.541 3.213 1.00 0.60 C ATOM 0 H ALA A 83 -8.053 -7.373 2.732 1.00 0.46 H new ATOM 0 HA ALA A 83 -9.748 -9.368 1.593 1.00 0.50 H new ATOM 0 HB1 ALA A 83 -11.845 -8.650 2.710 1.00 0.60 H new ATOM 0 HB2 ALA A 83 -10.710 -9.405 3.855 1.00 0.60 H new ATOM 0 HB3 ALA A 83 -10.893 -7.635 3.819 1.00 0.60 H new ATOM 196 N PRO A 84 -10.628 -7.546 0.042 1.00 0.48 N ATOM 197 CA PRO A 84 -10.860 -8.904 -0.475 1.00 0.48 C ATOM 198 C PRO A 84 -9.590 -9.540 -1.052 1.00 0.40 C ATOM 199 O PRO A 84 -9.658 -10.530 -1.780 1.00 0.39 O ATOM 200 CB PRO A 84 -11.902 -8.702 -1.590 1.00 0.53 C ATOM 201 CG PRO A 84 -12.321 -7.269 -1.505 1.00 0.77 C ATOM 202 CD PRO A 84 -11.176 -6.537 -0.868 1.00 0.54 C ATOM 0 HA PRO A 84 -11.186 -9.579 0.316 1.00 0.48 H new ATOM 0 HB2 PRO A 84 -11.476 -8.927 -2.568 1.00 0.53 H new ATOM 0 HB3 PRO A 84 -12.755 -9.367 -1.453 1.00 0.53 H new ATOM 0 HG2 PRO A 84 -12.538 -6.867 -2.495 1.00 0.77 H new ATOM 0 HG3 PRO A 84 -13.229 -7.163 -0.912 1.00 0.77 H new ATOM 0 HD2 PRO A 84 -10.441 -6.212 -1.604 1.00 0.54 H new ATOM 0 HD3 PRO A 84 -11.509 -5.646 -0.335 1.00 0.54 H new ATOM 210 N LYS A 85 -8.440 -8.937 -0.727 1.00 0.35 N ATOM 211 CA LYS A 85 -7.113 -9.473 -1.078 1.00 0.30 C ATOM 212 C LYS A 85 -6.766 -9.263 -2.556 1.00 0.27 C ATOM 213 O LYS A 85 -7.649 -9.130 -3.403 1.00 0.31 O ATOM 214 CB LYS A 85 -7.001 -10.968 -0.740 1.00 0.34 C ATOM 215 CG LYS A 85 -7.322 -11.316 0.705 1.00 0.41 C ATOM 216 CD LYS A 85 -7.103 -12.799 0.974 1.00 0.50 C ATOM 217 CE LYS A 85 -7.529 -13.187 2.380 1.00 1.33 C ATOM 218 NZ LYS A 85 -7.311 -14.633 2.650 1.00 1.96 N ATOM 0 H LYS A 85 -8.400 -8.058 -0.210 1.00 0.35 H new ATOM 0 HA LYS A 85 -6.398 -8.912 -0.476 1.00 0.30 H new ATOM 0 HB2 LYS A 85 -7.673 -11.526 -1.392 1.00 0.34 H new ATOM 0 HB3 LYS A 85 -5.988 -11.303 -0.964 1.00 0.34 H new ATOM 0 HG2 LYS A 85 -6.694 -10.726 1.372 1.00 0.41 H new ATOM 0 HG3 LYS A 85 -8.357 -11.052 0.924 1.00 0.41 H new ATOM 0 HD2 LYS A 85 -7.666 -13.387 0.249 1.00 0.50 H new ATOM 0 HD3 LYS A 85 -6.050 -13.042 0.833 1.00 0.50 H new ATOM 0 HE2 LYS A 85 -6.970 -12.595 3.104 1.00 1.33 H new ATOM 0 HE3 LYS A 85 -8.583 -12.947 2.518 1.00 1.33 H new ATOM 0 HZ1 LYS A 85 -7.615 -14.855 3.620 1.00 1.96 H new ATOM 0 HZ2 LYS A 85 -7.864 -15.199 1.976 1.00 1.96 H new ATOM 0 HZ3 LYS A 85 -6.301 -14.858 2.544 1.00 1.96 H new ATOM 232 N PHE A 86 -5.464 -9.222 -2.838 1.00 0.24 N ATOM 233 CA PHE A 86 -4.934 -9.160 -4.202 1.00 0.23 C ATOM 234 C PHE A 86 -3.410 -9.246 -4.158 1.00 0.22 C ATOM 235 O PHE A 86 -2.826 -9.376 -3.081 1.00 0.24 O ATOM 236 CB PHE A 86 -5.390 -7.891 -4.967 1.00 0.26 C ATOM 237 CG PHE A 86 -4.964 -6.553 -4.393 1.00 0.25 C ATOM 238 CD1 PHE A 86 -3.640 -6.336 -4.046 1.00 0.27 C ATOM 239 CD2 PHE A 86 -5.878 -5.529 -4.175 1.00 0.30 C ATOM 240 CE1 PHE A 86 -3.238 -5.132 -3.499 1.00 0.30 C ATOM 241 CE2 PHE A 86 -5.478 -4.324 -3.633 1.00 0.32 C ATOM 242 CZ PHE A 86 -4.209 -4.070 -3.387 1.00 0.28 C ATOM 0 H PHE A 86 -4.740 -9.231 -2.120 1.00 0.24 H new ATOM 0 HA PHE A 86 -5.338 -10.010 -4.753 1.00 0.23 H new ATOM 0 HB2 PHE A 86 -5.014 -7.957 -5.988 1.00 0.26 H new ATOM 0 HB3 PHE A 86 -6.478 -7.904 -5.026 1.00 0.26 H new ATOM 0 HD1 PHE A 86 -2.912 -7.118 -4.205 1.00 0.27 H new ATOM 0 HD2 PHE A 86 -6.916 -5.678 -4.433 1.00 0.30 H new ATOM 0 HE1 PHE A 86 -2.221 -4.989 -3.163 1.00 0.30 H new ATOM 0 HE2 PHE A 86 -6.221 -3.574 -3.406 1.00 0.32 H new ATOM 0 HZ PHE A 86 -3.898 -3.075 -3.104 1.00 0.28 H new ATOM 252 N SER A 87 -2.771 -9.184 -5.314 1.00 0.22 N ATOM 253 CA SER A 87 -1.315 -9.183 -5.387 1.00 0.24 C ATOM 254 C SER A 87 -0.847 -8.315 -6.549 1.00 0.23 C ATOM 255 O SER A 87 -0.949 -8.707 -7.712 1.00 0.31 O ATOM 256 CB SER A 87 -0.791 -10.611 -5.542 1.00 0.34 C ATOM 257 OG SER A 87 -1.195 -11.421 -4.448 1.00 1.32 O ATOM 0 H SER A 87 -3.238 -9.133 -6.220 1.00 0.22 H new ATOM 0 HA SER A 87 -0.918 -8.767 -4.461 1.00 0.24 H new ATOM 0 HB2 SER A 87 -1.162 -11.039 -6.473 1.00 0.34 H new ATOM 0 HB3 SER A 87 0.297 -10.598 -5.608 1.00 0.34 H new ATOM 0 HG SER A 87 -0.850 -12.330 -4.569 1.00 1.32 H new ATOM 263 N ILE A 88 -0.343 -7.131 -6.229 1.00 0.18 N ATOM 264 CA ILE A 88 0.071 -6.177 -7.249 1.00 0.19 C ATOM 265 C ILE A 88 1.566 -5.915 -7.169 1.00 0.21 C ATOM 266 O ILE A 88 2.190 -6.155 -6.140 1.00 0.38 O ATOM 267 CB ILE A 88 -0.674 -4.831 -7.104 1.00 0.20 C ATOM 268 CG1 ILE A 88 -0.405 -4.230 -5.721 1.00 0.18 C ATOM 269 CG2 ILE A 88 -2.166 -5.014 -7.339 1.00 0.20 C ATOM 270 CD1 ILE A 88 -1.156 -2.945 -5.442 1.00 0.21 C ATOM 0 H ILE A 88 -0.211 -6.808 -5.271 1.00 0.18 H new ATOM 0 HA ILE A 88 -0.177 -6.620 -8.214 1.00 0.19 H new ATOM 0 HB ILE A 88 -0.301 -4.140 -7.860 1.00 0.20 H new ATOM 0 HG12 ILE A 88 -0.671 -4.965 -4.961 1.00 0.18 H new ATOM 0 HG13 ILE A 88 0.664 -4.041 -5.622 1.00 0.18 H new ATOM 0 HG21 ILE A 88 -2.672 -4.054 -7.232 1.00 0.20 H new ATOM 0 HG22 ILE A 88 -2.331 -5.401 -8.344 1.00 0.20 H new ATOM 0 HG23 ILE A 88 -2.566 -5.718 -6.609 1.00 0.20 H new ATOM 0 HD11 ILE A 88 -0.908 -2.588 -4.442 1.00 0.21 H new ATOM 0 HD12 ILE A 88 -0.873 -2.191 -6.177 1.00 0.21 H new ATOM 0 HD13 ILE A 88 -2.228 -3.129 -5.506 1.00 0.21 H new ATOM 282 N GLU A 89 2.137 -5.433 -8.257 1.00 0.21 N ATOM 283 CA GLU A 89 3.532 -5.029 -8.271 1.00 0.25 C ATOM 284 C GLU A 89 3.660 -3.647 -8.881 1.00 0.24 C ATOM 285 O GLU A 89 3.251 -3.420 -10.018 1.00 0.33 O ATOM 286 CB GLU A 89 4.388 -6.023 -9.056 1.00 0.30 C ATOM 287 CG GLU A 89 4.335 -7.436 -8.509 1.00 1.02 C ATOM 288 CD GLU A 89 5.334 -8.351 -9.176 1.00 1.07 C ATOM 289 OE1 GLU A 89 5.213 -8.573 -10.397 1.00 1.45 O ATOM 290 OE2 GLU A 89 6.251 -8.844 -8.484 1.00 0.93 O ATOM 0 H GLU A 89 1.654 -5.311 -9.147 1.00 0.21 H new ATOM 0 HA GLU A 89 3.891 -5.010 -7.242 1.00 0.25 H new ATOM 0 HB2 GLU A 89 4.058 -6.032 -10.095 1.00 0.30 H new ATOM 0 HB3 GLU A 89 5.423 -5.680 -9.053 1.00 0.30 H new ATOM 0 HG2 GLU A 89 4.526 -7.414 -7.436 1.00 1.02 H new ATOM 0 HG3 GLU A 89 3.331 -7.838 -8.646 1.00 1.02 H new ATOM 297 N HIS A 90 4.207 -2.719 -8.120 1.00 0.24 N ATOM 298 CA HIS A 90 4.372 -1.357 -8.597 1.00 0.28 C ATOM 299 C HIS A 90 5.806 -0.890 -8.420 1.00 0.33 C ATOM 300 O HIS A 90 6.476 -1.259 -7.457 1.00 0.44 O ATOM 301 CB HIS A 90 3.407 -0.406 -7.887 1.00 0.36 C ATOM 302 CG HIS A 90 2.037 -0.381 -8.493 1.00 1.10 C ATOM 303 ND1 HIS A 90 1.802 0.003 -9.792 1.00 1.86 N ATOM 304 CD2 HIS A 90 0.829 -0.688 -7.970 1.00 1.51 C ATOM 305 CE1 HIS A 90 0.510 -0.066 -10.042 1.00 2.42 C ATOM 306 NE2 HIS A 90 -0.111 -0.482 -8.954 1.00 2.20 N ATOM 0 H HIS A 90 4.544 -2.881 -7.171 1.00 0.24 H new ATOM 0 HA HIS A 90 4.138 -1.347 -9.662 1.00 0.28 H new ATOM 0 HB2 HIS A 90 3.327 -0.698 -6.840 1.00 0.36 H new ATOM 0 HB3 HIS A 90 3.822 0.602 -7.906 1.00 0.36 H new ATOM 0 HD2 HIS A 90 0.637 -1.032 -6.964 1.00 1.51 H new ATOM 0 HE1 HIS A 90 0.037 0.178 -10.982 1.00 2.42 H new ATOM 0 HE2 HIS A 90 -1.116 -0.626 -8.859 1.00 2.20 H new ATOM 315 N ASP A 91 6.276 -0.092 -9.364 1.00 0.39 N ATOM 316 CA ASP A 91 7.645 0.401 -9.341 1.00 0.47 C ATOM 317 C ASP A 91 7.696 1.827 -8.819 1.00 0.45 C ATOM 318 O ASP A 91 7.030 2.721 -9.349 1.00 0.54 O ATOM 319 CB ASP A 91 8.265 0.339 -10.738 1.00 0.65 C ATOM 320 CG ASP A 91 9.682 0.880 -10.769 1.00 1.18 C ATOM 321 OD1 ASP A 91 10.631 0.103 -10.528 1.00 1.73 O ATOM 322 OD2 ASP A 91 9.856 2.090 -11.024 1.00 1.83 O ATOM 0 H ASP A 91 5.727 0.230 -10.161 1.00 0.39 H new ATOM 0 HA ASP A 91 8.219 -0.239 -8.671 1.00 0.47 H new ATOM 0 HB2 ASP A 91 8.266 -0.694 -11.086 1.00 0.65 H new ATOM 0 HB3 ASP A 91 7.647 0.908 -11.432 1.00 0.65 H new ATOM 327 N PHE A 92 8.480 2.027 -7.776 1.00 0.40 N ATOM 328 CA PHE A 92 8.679 3.346 -7.203 1.00 0.43 C ATOM 329 C PHE A 92 10.162 3.578 -6.978 1.00 0.43 C ATOM 330 O PHE A 92 10.924 2.626 -6.827 1.00 0.45 O ATOM 331 CB PHE A 92 7.914 3.486 -5.881 1.00 0.44 C ATOM 332 CG PHE A 92 6.419 3.521 -6.049 1.00 0.55 C ATOM 333 CD1 PHE A 92 5.771 4.708 -6.350 1.00 0.83 C ATOM 334 CD2 PHE A 92 5.662 2.369 -5.905 1.00 0.53 C ATOM 335 CE1 PHE A 92 4.399 4.748 -6.505 1.00 0.97 C ATOM 336 CE2 PHE A 92 4.290 2.403 -6.060 1.00 0.68 C ATOM 337 CZ PHE A 92 3.658 3.593 -6.361 1.00 0.85 C ATOM 0 H PHE A 92 8.995 1.284 -7.304 1.00 0.40 H new ATOM 0 HA PHE A 92 8.295 4.094 -7.896 1.00 0.43 H new ATOM 0 HB2 PHE A 92 8.178 2.654 -5.228 1.00 0.44 H new ATOM 0 HB3 PHE A 92 8.236 4.399 -5.380 1.00 0.44 H new ATOM 0 HD1 PHE A 92 6.347 5.615 -6.465 1.00 0.83 H new ATOM 0 HD2 PHE A 92 6.150 1.435 -5.669 1.00 0.53 H new ATOM 0 HE1 PHE A 92 3.908 5.681 -6.738 1.00 0.97 H new ATOM 0 HE2 PHE A 92 3.711 1.498 -5.946 1.00 0.68 H new ATOM 0 HZ PHE A 92 2.585 3.620 -6.484 1.00 0.85 H new ATOM 347 N SER A 93 10.571 4.833 -6.986 1.00 0.48 N ATOM 348 CA SER A 93 11.964 5.181 -6.770 1.00 0.49 C ATOM 349 C SER A 93 12.350 4.936 -5.311 1.00 0.42 C ATOM 350 O SER A 93 11.556 5.177 -4.405 1.00 0.42 O ATOM 351 CB SER A 93 12.182 6.646 -7.149 1.00 0.63 C ATOM 352 OG SER A 93 11.737 6.888 -8.475 1.00 0.81 O ATOM 0 H SER A 93 9.956 5.632 -7.140 1.00 0.48 H new ATOM 0 HA SER A 93 12.598 4.554 -7.396 1.00 0.49 H new ATOM 0 HB2 SER A 93 11.644 7.291 -6.455 1.00 0.63 H new ATOM 0 HB3 SER A 93 13.239 6.897 -7.062 1.00 0.63 H new ATOM 0 HG SER A 93 11.882 7.830 -8.702 1.00 0.81 H new ATOM 358 N PRO A 94 13.577 4.439 -5.064 1.00 0.46 N ATOM 359 CA PRO A 94 14.039 4.101 -3.712 1.00 0.51 C ATOM 360 C PRO A 94 14.153 5.312 -2.789 1.00 0.52 C ATOM 361 O PRO A 94 14.486 5.169 -1.623 1.00 0.73 O ATOM 362 CB PRO A 94 15.421 3.486 -3.930 1.00 0.71 C ATOM 363 CG PRO A 94 15.851 3.939 -5.285 1.00 0.67 C ATOM 364 CD PRO A 94 14.596 4.145 -6.085 1.00 0.57 C ATOM 0 HA PRO A 94 13.328 3.437 -3.221 1.00 0.51 H new ATOM 0 HB2 PRO A 94 16.123 3.817 -3.165 1.00 0.71 H new ATOM 0 HB3 PRO A 94 15.379 2.398 -3.875 1.00 0.71 H new ATOM 0 HG2 PRO A 94 16.426 4.863 -5.221 1.00 0.67 H new ATOM 0 HG3 PRO A 94 16.494 3.196 -5.757 1.00 0.67 H new ATOM 0 HD2 PRO A 94 14.703 4.967 -6.793 1.00 0.57 H new ATOM 0 HD3 PRO A 94 14.339 3.257 -6.663 1.00 0.57 H new ATOM 372 N SER A 95 13.898 6.500 -3.311 1.00 0.47 N ATOM 373 CA SER A 95 13.901 7.703 -2.493 1.00 0.51 C ATOM 374 C SER A 95 12.498 8.297 -2.403 1.00 0.44 C ATOM 375 O SER A 95 12.303 9.396 -1.878 1.00 0.49 O ATOM 376 CB SER A 95 14.874 8.726 -3.068 1.00 0.62 C ATOM 377 OG SER A 95 14.690 8.871 -4.468 1.00 0.89 O ATOM 0 H SER A 95 13.686 6.658 -4.296 1.00 0.47 H new ATOM 0 HA SER A 95 14.224 7.436 -1.487 1.00 0.51 H new ATOM 0 HB2 SER A 95 14.728 9.688 -2.577 1.00 0.62 H new ATOM 0 HB3 SER A 95 15.898 8.415 -2.862 1.00 0.62 H new ATOM 0 HG SER A 95 15.324 9.533 -4.814 1.00 0.89 H new ATOM 383 N ASP A 96 11.526 7.555 -2.915 1.00 0.36 N ATOM 384 CA ASP A 96 10.140 7.998 -2.924 1.00 0.33 C ATOM 385 C ASP A 96 9.495 7.699 -1.580 1.00 0.26 C ATOM 386 O ASP A 96 10.101 7.049 -0.722 1.00 0.24 O ATOM 387 CB ASP A 96 9.377 7.295 -4.051 1.00 0.35 C ATOM 388 CG ASP A 96 8.171 8.080 -4.521 1.00 0.80 C ATOM 389 OD1 ASP A 96 8.093 9.291 -4.228 1.00 1.37 O ATOM 390 OD2 ASP A 96 7.283 7.483 -5.170 1.00 1.23 O ATOM 0 H ASP A 96 11.674 6.636 -3.333 1.00 0.36 H new ATOM 0 HA ASP A 96 10.106 9.074 -3.097 1.00 0.33 H new ATOM 0 HB2 ASP A 96 10.050 7.133 -4.893 1.00 0.35 H new ATOM 0 HB3 ASP A 96 9.054 6.312 -3.707 1.00 0.35 H new ATOM 395 N THR A 97 8.283 8.185 -1.390 1.00 0.28 N ATOM 396 CA THR A 97 7.571 7.971 -0.147 1.00 0.22 C ATOM 397 C THR A 97 6.491 6.918 -0.320 1.00 0.19 C ATOM 398 O THR A 97 5.913 6.773 -1.399 1.00 0.23 O ATOM 399 CB THR A 97 6.914 9.271 0.362 1.00 0.25 C ATOM 400 OG1 THR A 97 6.069 9.830 -0.651 1.00 0.32 O ATOM 401 CG2 THR A 97 7.962 10.290 0.769 1.00 0.31 C ATOM 0 H THR A 97 7.771 8.731 -2.083 1.00 0.28 H new ATOM 0 HA THR A 97 8.306 7.633 0.584 1.00 0.22 H new ATOM 0 HB THR A 97 6.314 9.021 1.237 1.00 0.25 H new ATOM 0 HG1 THR A 97 5.657 10.653 -0.315 1.00 0.32 H new ATOM 0 HG21 THR A 97 7.470 11.196 1.123 1.00 0.31 H new ATOM 0 HG22 THR A 97 8.581 9.877 1.566 1.00 0.31 H new ATOM 0 HG23 THR A 97 8.589 10.530 -0.090 1.00 0.31 H new ATOM 409 N ILE A 98 6.227 6.190 0.753 1.00 0.17 N ATOM 410 CA ILE A 98 5.122 5.250 0.797 1.00 0.18 C ATOM 411 C ILE A 98 3.809 5.996 0.554 1.00 0.18 C ATOM 412 O ILE A 98 2.823 5.421 0.102 1.00 0.20 O ATOM 413 CB ILE A 98 5.064 4.524 2.165 1.00 0.18 C ATOM 414 CG1 ILE A 98 6.348 3.726 2.419 1.00 0.19 C ATOM 415 CG2 ILE A 98 3.859 3.605 2.234 1.00 0.24 C ATOM 416 CD1 ILE A 98 6.562 2.586 1.447 1.00 0.22 C ATOM 0 H ILE A 98 6.771 6.235 1.614 1.00 0.17 H new ATOM 0 HA ILE A 98 5.273 4.502 0.019 1.00 0.18 H new ATOM 0 HB ILE A 98 4.971 5.284 2.941 1.00 0.18 H new ATOM 0 HG12 ILE A 98 7.201 4.402 2.365 1.00 0.19 H new ATOM 0 HG13 ILE A 98 6.322 3.326 3.433 1.00 0.19 H new ATOM 0 HG21 ILE A 98 3.837 3.105 3.202 1.00 0.24 H new ATOM 0 HG22 ILE A 98 2.948 4.190 2.107 1.00 0.24 H new ATOM 0 HG23 ILE A 98 3.925 2.859 1.442 1.00 0.24 H new ATOM 0 HD11 ILE A 98 7.490 2.069 1.691 1.00 0.22 H new ATOM 0 HD12 ILE A 98 5.728 1.887 1.517 1.00 0.22 H new ATOM 0 HD13 ILE A 98 6.622 2.979 0.432 1.00 0.22 H new ATOM 428 N LEU A 99 3.824 7.291 0.849 1.00 0.19 N ATOM 429 CA LEU A 99 2.663 8.148 0.654 1.00 0.21 C ATOM 430 C LEU A 99 2.308 8.217 -0.822 1.00 0.20 C ATOM 431 O LEU A 99 1.134 8.186 -1.176 1.00 0.21 O ATOM 432 CB LEU A 99 2.933 9.549 1.228 1.00 0.27 C ATOM 433 CG LEU A 99 1.701 10.447 1.421 1.00 0.36 C ATOM 434 CD1 LEU A 99 1.949 11.444 2.543 1.00 0.71 C ATOM 435 CD2 LEU A 99 1.362 11.195 0.141 1.00 0.64 C ATOM 0 H LEU A 99 4.638 7.774 1.229 1.00 0.19 H new ATOM 0 HA LEU A 99 1.812 7.725 1.188 1.00 0.21 H new ATOM 0 HB2 LEU A 99 3.430 9.436 2.192 1.00 0.27 H new ATOM 0 HB3 LEU A 99 3.632 10.062 0.567 1.00 0.27 H new ATOM 0 HG LEU A 99 0.858 9.807 1.682 1.00 0.36 H new ATOM 0 HD11 LEU A 99 1.069 12.075 2.670 1.00 0.71 H new ATOM 0 HD12 LEU A 99 2.147 10.906 3.470 1.00 0.71 H new ATOM 0 HD13 LEU A 99 2.808 12.066 2.293 1.00 0.71 H new ATOM 0 HD21 LEU A 99 0.486 11.822 0.307 1.00 0.64 H new ATOM 0 HD22 LEU A 99 2.206 11.820 -0.150 1.00 0.64 H new ATOM 0 HD23 LEU A 99 1.150 10.479 -0.653 1.00 0.64 H new ATOM 447 N GLN A 100 3.320 8.279 -1.683 1.00 0.20 N ATOM 448 CA GLN A 100 3.075 8.284 -3.118 1.00 0.21 C ATOM 449 C GLN A 100 2.480 6.951 -3.545 1.00 0.15 C ATOM 450 O GLN A 100 1.607 6.897 -4.411 1.00 0.13 O ATOM 451 CB GLN A 100 4.359 8.550 -3.900 1.00 0.29 C ATOM 452 CG GLN A 100 5.035 9.868 -3.562 1.00 0.39 C ATOM 453 CD GLN A 100 4.090 11.052 -3.615 1.00 0.45 C ATOM 454 OE1 GLN A 100 3.885 11.655 -4.669 1.00 0.70 O ATOM 455 NE2 GLN A 100 3.539 11.417 -2.467 1.00 0.53 N ATOM 0 H GLN A 100 4.303 8.326 -1.415 1.00 0.20 H new ATOM 0 HA GLN A 100 2.371 9.087 -3.337 1.00 0.21 H new ATOM 0 HB2 GLN A 100 5.060 7.737 -3.712 1.00 0.29 H new ATOM 0 HB3 GLN A 100 4.131 8.535 -4.966 1.00 0.29 H new ATOM 0 HG2 GLN A 100 5.469 9.802 -2.564 1.00 0.39 H new ATOM 0 HG3 GLN A 100 5.858 10.036 -4.257 1.00 0.39 H new ATOM 0 HE21 GLN A 100 3.735 10.889 -1.616 1.00 0.53 H new ATOM 0 HE22 GLN A 100 2.918 12.226 -2.434 1.00 0.53 H new ATOM 464 N ILE A 101 2.953 5.884 -2.911 1.00 0.13 N ATOM 465 CA ILE A 101 2.451 4.541 -3.170 1.00 0.12 C ATOM 466 C ILE A 101 0.986 4.434 -2.764 1.00 0.10 C ATOM 467 O ILE A 101 0.146 3.965 -3.530 1.00 0.11 O ATOM 468 CB ILE A 101 3.267 3.477 -2.402 1.00 0.15 C ATOM 469 CG1 ILE A 101 4.753 3.593 -2.747 1.00 0.17 C ATOM 470 CG2 ILE A 101 2.747 2.079 -2.712 1.00 0.20 C ATOM 471 CD1 ILE A 101 5.617 2.549 -2.076 1.00 0.21 C ATOM 0 H ILE A 101 3.690 5.925 -2.208 1.00 0.13 H new ATOM 0 HA ILE A 101 2.552 4.356 -4.239 1.00 0.12 H new ATOM 0 HB ILE A 101 3.149 3.654 -1.333 1.00 0.15 H new ATOM 0 HG12 ILE A 101 4.873 3.512 -3.827 1.00 0.17 H new ATOM 0 HG13 ILE A 101 5.107 4.583 -2.461 1.00 0.17 H new ATOM 0 HG21 ILE A 101 3.333 1.343 -2.163 1.00 0.20 H new ATOM 0 HG22 ILE A 101 1.701 2.005 -2.414 1.00 0.20 H new ATOM 0 HG23 ILE A 101 2.834 1.887 -3.781 1.00 0.20 H new ATOM 0 HD11 ILE A 101 6.657 2.695 -2.368 1.00 0.21 H new ATOM 0 HD12 ILE A 101 5.527 2.643 -0.994 1.00 0.21 H new ATOM 0 HD13 ILE A 101 5.290 1.555 -2.382 1.00 0.21 H new ATOM 483 N LYS A 102 0.689 4.894 -1.558 1.00 0.13 N ATOM 484 CA LYS A 102 -0.664 4.842 -1.031 1.00 0.17 C ATOM 485 C LYS A 102 -1.598 5.740 -1.839 1.00 0.15 C ATOM 486 O LYS A 102 -2.708 5.338 -2.182 1.00 0.17 O ATOM 487 CB LYS A 102 -0.671 5.231 0.447 1.00 0.28 C ATOM 488 CG LYS A 102 0.146 4.289 1.320 1.00 0.50 C ATOM 489 CD LYS A 102 0.004 4.625 2.794 1.00 0.94 C ATOM 490 CE LYS A 102 0.767 3.640 3.667 1.00 0.81 C ATOM 491 NZ LYS A 102 0.387 3.753 5.099 1.00 0.83 N ATOM 0 H LYS A 102 1.372 5.309 -0.924 1.00 0.13 H new ATOM 0 HA LYS A 102 -1.031 3.819 -1.119 1.00 0.17 H new ATOM 0 HB2 LYS A 102 -0.280 6.243 0.551 1.00 0.28 H new ATOM 0 HB3 LYS A 102 -1.700 5.248 0.806 1.00 0.28 H new ATOM 0 HG2 LYS A 102 -0.176 3.262 1.148 1.00 0.50 H new ATOM 0 HG3 LYS A 102 1.196 4.346 1.033 1.00 0.50 H new ATOM 0 HD2 LYS A 102 0.373 5.635 2.975 1.00 0.94 H new ATOM 0 HD3 LYS A 102 -1.050 4.616 3.070 1.00 0.94 H new ATOM 0 HE2 LYS A 102 0.575 2.625 3.320 1.00 0.81 H new ATOM 0 HE3 LYS A 102 1.837 3.816 3.561 1.00 0.81 H new ATOM 0 HZ1 LYS A 102 1.221 3.576 5.695 1.00 0.83 H new ATOM 0 HZ2 LYS A 102 0.024 4.709 5.287 1.00 0.83 H new ATOM 0 HZ3 LYS A 102 -0.350 3.053 5.319 1.00 0.83 H new ATOM 505 N GLN A 103 -1.134 6.944 -2.165 1.00 0.14 N ATOM 506 CA GLN A 103 -1.883 7.847 -3.039 1.00 0.14 C ATOM 507 C GLN A 103 -2.128 7.201 -4.387 1.00 0.13 C ATOM 508 O GLN A 103 -3.106 7.507 -5.070 1.00 0.16 O ATOM 509 CB GLN A 103 -1.121 9.150 -3.263 1.00 0.17 C ATOM 510 CG GLN A 103 -1.184 10.122 -2.098 1.00 0.23 C ATOM 511 CD GLN A 103 -2.471 10.920 -2.074 1.00 0.33 C ATOM 512 OE1 GLN A 103 -3.476 10.410 -1.386 1.00 0.83 O flip ATOM 513 NE2 GLN A 103 -2.558 11.991 -2.673 1.00 0.45 N flip ATOM 0 H GLN A 103 -0.243 7.318 -1.838 1.00 0.14 H new ATOM 0 HA GLN A 103 -2.833 8.059 -2.548 1.00 0.14 H new ATOM 0 HB2 GLN A 103 -0.077 8.915 -3.468 1.00 0.17 H new ATOM 0 HB3 GLN A 103 -1.518 9.641 -4.152 1.00 0.17 H new ATOM 0 HG2 GLN A 103 -1.086 9.570 -1.163 1.00 0.23 H new ATOM 0 HG3 GLN A 103 -0.338 10.806 -2.154 1.00 0.23 H new ATOM 0 HE21 GLN A 103 -1.758 12.351 -3.193 1.00 0.45 H new ATOM 0 HE22 GLN A 103 -3.430 12.519 -2.649 1.00 0.45 H new ATOM 522 N HIS A 104 -1.237 6.299 -4.757 1.00 0.12 N ATOM 523 CA HIS A 104 -1.301 5.671 -6.067 1.00 0.12 C ATOM 524 C HIS A 104 -2.346 4.575 -6.057 1.00 0.12 C ATOM 525 O HIS A 104 -3.074 4.392 -7.023 1.00 0.18 O ATOM 526 CB HIS A 104 0.052 5.094 -6.486 1.00 0.14 C ATOM 527 CG HIS A 104 0.129 4.795 -7.952 1.00 0.22 C ATOM 528 ND1 HIS A 104 -0.462 3.693 -8.537 1.00 1.21 N ATOM 529 CD2 HIS A 104 0.709 5.484 -8.961 1.00 0.98 C ATOM 530 CE1 HIS A 104 -0.248 3.722 -9.836 1.00 0.95 C ATOM 531 NE2 HIS A 104 0.459 4.799 -10.122 1.00 0.54 N ATOM 0 H HIS A 104 -0.463 5.985 -4.172 1.00 0.12 H new ATOM 0 HA HIS A 104 -1.574 6.437 -6.792 1.00 0.12 H new ATOM 0 HB2 HIS A 104 0.840 5.800 -6.222 1.00 0.14 H new ATOM 0 HB3 HIS A 104 0.242 4.180 -5.923 1.00 0.14 H new ATOM 0 HD1 HIS A 104 -0.983 2.970 -8.041 1.00 1.21 H new ATOM 0 HD2 HIS A 104 1.266 6.404 -8.869 1.00 0.98 H new ATOM 0 HE1 HIS A 104 -0.593 2.987 -10.548 1.00 0.95 H new ATOM 540 N LEU A 105 -2.425 3.856 -4.952 1.00 0.11 N ATOM 541 CA LEU A 105 -3.430 2.822 -4.803 1.00 0.12 C ATOM 542 C LEU A 105 -4.811 3.459 -4.710 1.00 0.13 C ATOM 543 O LEU A 105 -5.807 2.879 -5.132 1.00 0.18 O ATOM 544 CB LEU A 105 -3.131 1.956 -3.580 1.00 0.13 C ATOM 545 CG LEU A 105 -1.743 1.305 -3.580 1.00 0.14 C ATOM 546 CD1 LEU A 105 -1.588 0.365 -2.398 1.00 0.17 C ATOM 547 CD2 LEU A 105 -1.498 0.560 -4.881 1.00 0.18 C ATOM 0 H LEU A 105 -1.807 3.969 -4.148 1.00 0.11 H new ATOM 0 HA LEU A 105 -3.410 2.171 -5.677 1.00 0.12 H new ATOM 0 HB2 LEU A 105 -3.230 2.569 -2.684 1.00 0.13 H new ATOM 0 HB3 LEU A 105 -3.885 1.172 -3.514 1.00 0.13 H new ATOM 0 HG LEU A 105 -1.000 2.098 -3.490 1.00 0.14 H new ATOM 0 HD11 LEU A 105 -0.596 -0.085 -2.419 1.00 0.17 H new ATOM 0 HD12 LEU A 105 -1.714 0.923 -1.470 1.00 0.17 H new ATOM 0 HD13 LEU A 105 -2.343 -0.419 -2.455 1.00 0.17 H new ATOM 0 HD21 LEU A 105 -0.507 0.106 -4.859 1.00 0.18 H new ATOM 0 HD22 LEU A 105 -2.251 -0.218 -5.002 1.00 0.18 H new ATOM 0 HD23 LEU A 105 -1.559 1.257 -5.717 1.00 0.18 H new ATOM 559 N ILE A 106 -4.863 4.669 -4.166 1.00 0.11 N ATOM 560 CA ILE A 106 -6.087 5.457 -4.185 1.00 0.13 C ATOM 561 C ILE A 106 -6.435 5.849 -5.616 1.00 0.14 C ATOM 562 O ILE A 106 -7.582 5.716 -6.049 1.00 0.17 O ATOM 563 CB ILE A 106 -5.951 6.749 -3.354 1.00 0.13 C ATOM 564 CG1 ILE A 106 -5.578 6.424 -1.912 1.00 0.14 C ATOM 565 CG2 ILE A 106 -7.245 7.554 -3.399 1.00 0.16 C ATOM 566 CD1 ILE A 106 -5.291 7.652 -1.082 1.00 0.15 C ATOM 0 H ILE A 106 -4.073 5.124 -3.708 1.00 0.11 H new ATOM 0 HA ILE A 106 -6.872 4.837 -3.751 1.00 0.13 H new ATOM 0 HB ILE A 106 -5.154 7.351 -3.789 1.00 0.13 H new ATOM 0 HG12 ILE A 106 -6.391 5.863 -1.451 1.00 0.14 H new ATOM 0 HG13 ILE A 106 -4.701 5.777 -1.907 1.00 0.14 H new ATOM 0 HG21 ILE A 106 -7.130 8.462 -2.807 1.00 0.16 H new ATOM 0 HG22 ILE A 106 -7.472 7.820 -4.431 1.00 0.16 H new ATOM 0 HG23 ILE A 106 -8.060 6.956 -2.991 1.00 0.16 H new ATOM 0 HD11 ILE A 106 -5.032 7.352 -0.066 1.00 0.15 H new ATOM 0 HD12 ILE A 106 -4.459 8.202 -1.522 1.00 0.15 H new ATOM 0 HD13 ILE A 106 -6.175 8.290 -1.058 1.00 0.15 H new ATOM 578 N SER A 107 -5.426 6.305 -6.352 1.00 0.13 N ATOM 579 CA SER A 107 -5.628 6.839 -7.688 1.00 0.17 C ATOM 580 C SER A 107 -5.914 5.725 -8.701 1.00 0.18 C ATOM 581 O SER A 107 -6.332 5.997 -9.827 1.00 0.27 O ATOM 582 CB SER A 107 -4.410 7.675 -8.111 1.00 0.23 C ATOM 583 OG SER A 107 -3.244 6.880 -8.233 1.00 0.61 O ATOM 0 H SER A 107 -4.455 6.314 -6.040 1.00 0.13 H new ATOM 0 HA SER A 107 -6.505 7.487 -7.668 1.00 0.17 H new ATOM 0 HB2 SER A 107 -4.618 8.164 -9.063 1.00 0.23 H new ATOM 0 HB3 SER A 107 -4.238 8.463 -7.378 1.00 0.23 H new ATOM 0 HG SER A 107 -3.396 6.009 -7.809 1.00 0.61 H new ATOM 589 N GLU A 108 -5.689 4.473 -8.307 1.00 0.16 N ATOM 590 CA GLU A 108 -6.025 3.339 -9.162 1.00 0.17 C ATOM 591 C GLU A 108 -7.178 2.526 -8.569 1.00 0.17 C ATOM 592 O GLU A 108 -7.349 1.349 -8.890 1.00 0.21 O ATOM 593 CB GLU A 108 -4.797 2.455 -9.424 1.00 0.20 C ATOM 594 CG GLU A 108 -4.181 1.847 -8.178 1.00 0.22 C ATOM 595 CD GLU A 108 -2.915 1.065 -8.475 1.00 0.28 C ATOM 596 OE1 GLU A 108 -2.991 0.018 -9.156 1.00 0.35 O ATOM 597 OE2 GLU A 108 -1.830 1.499 -8.039 1.00 0.42 O ATOM 0 H GLU A 108 -5.279 4.220 -7.408 1.00 0.16 H new ATOM 0 HA GLU A 108 -6.356 3.734 -10.123 1.00 0.17 H new ATOM 0 HB2 GLU A 108 -5.082 1.651 -10.102 1.00 0.20 H new ATOM 0 HB3 GLU A 108 -4.040 3.049 -9.935 1.00 0.20 H new ATOM 0 HG2 GLU A 108 -3.955 2.640 -7.465 1.00 0.22 H new ATOM 0 HG3 GLU A 108 -4.907 1.188 -7.702 1.00 0.22 H new ATOM 604 N GLU A 109 -7.959 3.174 -7.702 1.00 0.16 N ATOM 605 CA GLU A 109 -9.181 2.592 -7.134 1.00 0.19 C ATOM 606 C GLU A 109 -8.923 1.275 -6.403 1.00 0.20 C ATOM 607 O GLU A 109 -9.721 0.339 -6.479 1.00 0.30 O ATOM 608 CB GLU A 109 -10.237 2.392 -8.222 1.00 0.24 C ATOM 609 CG GLU A 109 -10.811 3.695 -8.748 1.00 0.31 C ATOM 610 CD GLU A 109 -11.442 4.530 -7.653 1.00 1.02 C ATOM 611 OE1 GLU A 109 -12.529 4.155 -7.162 1.00 0.95 O ATOM 612 OE2 GLU A 109 -10.855 5.569 -7.280 1.00 1.86 O ATOM 0 H GLU A 109 -7.763 4.119 -7.372 1.00 0.16 H new ATOM 0 HA GLU A 109 -9.551 3.302 -6.395 1.00 0.19 H new ATOM 0 HB2 GLU A 109 -9.795 1.837 -9.050 1.00 0.24 H new ATOM 0 HB3 GLU A 109 -11.047 1.780 -7.825 1.00 0.24 H new ATOM 0 HG2 GLU A 109 -10.020 4.270 -9.229 1.00 0.31 H new ATOM 0 HG3 GLU A 109 -11.558 3.478 -9.512 1.00 0.31 H new ATOM 619 N LYS A 110 -7.815 1.212 -5.690 1.00 0.15 N ATOM 620 CA LYS A 110 -7.498 0.053 -4.873 1.00 0.17 C ATOM 621 C LYS A 110 -7.817 0.337 -3.411 1.00 0.19 C ATOM 622 O LYS A 110 -7.966 -0.586 -2.608 1.00 0.27 O ATOM 623 CB LYS A 110 -6.023 -0.323 -5.035 1.00 0.21 C ATOM 624 CG LYS A 110 -5.673 -0.857 -6.414 1.00 0.23 C ATOM 625 CD LYS A 110 -6.331 -2.195 -6.695 1.00 0.23 C ATOM 626 CE LYS A 110 -5.975 -2.691 -8.085 1.00 0.36 C ATOM 627 NZ LYS A 110 -6.689 -3.946 -8.434 1.00 1.22 N ATOM 0 H LYS A 110 -7.115 1.953 -5.659 1.00 0.15 H new ATOM 0 HA LYS A 110 -8.108 -0.787 -5.205 1.00 0.17 H new ATOM 0 HB2 LYS A 110 -5.410 0.554 -4.829 1.00 0.21 H new ATOM 0 HB3 LYS A 110 -5.765 -1.074 -4.289 1.00 0.21 H new ATOM 0 HG2 LYS A 110 -5.983 -0.136 -7.170 1.00 0.23 H new ATOM 0 HG3 LYS A 110 -4.591 -0.961 -6.497 1.00 0.23 H new ATOM 0 HD2 LYS A 110 -6.012 -2.925 -5.951 1.00 0.23 H new ATOM 0 HD3 LYS A 110 -7.413 -2.099 -6.604 1.00 0.23 H new ATOM 0 HE2 LYS A 110 -6.219 -1.921 -8.817 1.00 0.36 H new ATOM 0 HE3 LYS A 110 -4.900 -2.858 -8.145 1.00 0.36 H new ATOM 0 HZ1 LYS A 110 -6.415 -4.247 -9.391 1.00 1.22 H new ATOM 0 HZ2 LYS A 110 -6.437 -4.690 -7.752 1.00 1.22 H new ATOM 0 HZ3 LYS A 110 -7.715 -3.781 -8.404 1.00 1.22 H new ATOM 641 N ALA A 111 -7.933 1.618 -3.075 1.00 0.16 N ATOM 642 CA ALA A 111 -8.228 2.031 -1.709 1.00 0.18 C ATOM 643 C ALA A 111 -8.946 3.375 -1.682 1.00 0.19 C ATOM 644 O ALA A 111 -9.156 3.998 -2.724 1.00 0.29 O ATOM 645 CB ALA A 111 -6.950 2.113 -0.898 1.00 0.20 C ATOM 0 H ALA A 111 -7.827 2.390 -3.733 1.00 0.16 H new ATOM 0 HA ALA A 111 -8.887 1.283 -1.268 1.00 0.18 H new ATOM 0 HB1 ALA A 111 -7.185 2.423 0.120 1.00 0.20 H new ATOM 0 HB2 ALA A 111 -6.468 1.135 -0.878 1.00 0.20 H new ATOM 0 HB3 ALA A 111 -6.277 2.840 -1.352 1.00 0.20 H new ATOM 651 N SER A 112 -9.329 3.808 -0.486 1.00 0.21 N ATOM 652 CA SER A 112 -9.993 5.094 -0.311 1.00 0.23 C ATOM 653 C SER A 112 -8.996 6.183 0.093 1.00 0.21 C ATOM 654 O SER A 112 -8.957 7.255 -0.517 1.00 0.26 O ATOM 655 CB SER A 112 -11.097 4.967 0.741 1.00 0.29 C ATOM 656 OG SER A 112 -11.734 6.208 0.990 1.00 1.23 O ATOM 0 H SER A 112 -9.190 3.285 0.379 1.00 0.21 H new ATOM 0 HA SER A 112 -10.435 5.385 -1.264 1.00 0.23 H new ATOM 0 HB2 SER A 112 -11.837 4.240 0.405 1.00 0.29 H new ATOM 0 HB3 SER A 112 -10.672 4.584 1.669 1.00 0.29 H new ATOM 0 HG SER A 112 -11.198 6.730 1.623 1.00 1.23 H new ATOM 662 N HIS A 113 -8.192 5.915 1.120 1.00 0.16 N ATOM 663 CA HIS A 113 -7.237 6.905 1.617 1.00 0.16 C ATOM 664 C HIS A 113 -5.893 6.259 1.936 1.00 0.14 C ATOM 665 O HIS A 113 -5.792 5.033 1.972 1.00 0.15 O ATOM 666 CB HIS A 113 -7.770 7.620 2.862 1.00 0.21 C ATOM 667 CG HIS A 113 -8.958 8.496 2.608 1.00 0.44 C ATOM 668 ND1 HIS A 113 -10.229 8.181 3.033 1.00 1.47 N ATOM 669 CD2 HIS A 113 -9.059 9.696 1.986 1.00 0.75 C ATOM 670 CE1 HIS A 113 -11.059 9.144 2.682 1.00 1.47 C ATOM 671 NE2 HIS A 113 -10.376 10.076 2.047 1.00 0.73 N ATOM 0 H HIS A 113 -8.182 5.027 1.622 1.00 0.16 H new ATOM 0 HA HIS A 113 -7.098 7.641 0.825 1.00 0.16 H new ATOM 0 HB2 HIS A 113 -8.037 6.873 3.609 1.00 0.21 H new ATOM 0 HB3 HIS A 113 -6.971 8.226 3.289 1.00 0.21 H new ATOM 0 HD2 HIS A 113 -8.253 10.250 1.528 1.00 0.75 H new ATOM 0 HE1 HIS A 113 -12.120 9.166 2.881 1.00 1.47 H new ATOM 0 HE2 HIS A 113 -10.763 10.938 1.664 1.00 0.73 H new ATOM 680 N ILE A 114 -4.872 7.079 2.173 1.00 0.15 N ATOM 681 CA ILE A 114 -3.518 6.572 2.393 1.00 0.17 C ATOM 682 C ILE A 114 -3.444 5.651 3.620 1.00 0.16 C ATOM 683 O ILE A 114 -2.908 4.551 3.541 1.00 0.26 O ATOM 684 CB ILE A 114 -2.484 7.720 2.540 1.00 0.18 C ATOM 685 CG1 ILE A 114 -2.896 8.715 3.633 1.00 0.18 C ATOM 686 CG2 ILE A 114 -2.304 8.434 1.210 1.00 0.22 C ATOM 687 CD1 ILE A 114 -1.935 9.874 3.798 1.00 0.23 C ATOM 0 H ILE A 114 -4.955 8.095 2.218 1.00 0.15 H new ATOM 0 HA ILE A 114 -3.266 5.991 1.506 1.00 0.17 H new ATOM 0 HB ILE A 114 -1.533 7.279 2.840 1.00 0.18 H new ATOM 0 HG12 ILE A 114 -3.886 9.107 3.400 1.00 0.18 H new ATOM 0 HG13 ILE A 114 -2.978 8.185 4.582 1.00 0.18 H new ATOM 0 HG21 ILE A 114 -1.577 9.238 1.324 1.00 0.22 H new ATOM 0 HG22 ILE A 114 -1.948 7.726 0.462 1.00 0.22 H new ATOM 0 HG23 ILE A 114 -3.258 8.851 0.889 1.00 0.22 H new ATOM 0 HD11 ILE A 114 -2.293 10.534 4.588 1.00 0.23 H new ATOM 0 HD12 ILE A 114 -0.948 9.494 4.062 1.00 0.23 H new ATOM 0 HD13 ILE A 114 -1.871 10.430 2.862 1.00 0.23 H new ATOM 699 N SER A 115 -4.009 6.090 4.742 1.00 0.14 N ATOM 700 CA SER A 115 -3.934 5.338 5.994 1.00 0.20 C ATOM 701 C SER A 115 -4.833 4.096 5.961 1.00 0.18 C ATOM 702 O SER A 115 -4.728 3.220 6.821 1.00 0.27 O ATOM 703 CB SER A 115 -4.309 6.243 7.172 1.00 0.29 C ATOM 704 OG SER A 115 -4.050 5.618 8.418 1.00 1.50 O ATOM 0 H SER A 115 -4.526 6.966 4.811 1.00 0.14 H new ATOM 0 HA SER A 115 -2.907 4.995 6.121 1.00 0.20 H new ATOM 0 HB2 SER A 115 -3.746 7.174 7.108 1.00 0.29 H new ATOM 0 HB3 SER A 115 -5.365 6.504 7.108 1.00 0.29 H new ATOM 0 HG SER A 115 -4.179 4.650 8.332 1.00 1.50 H new ATOM 710 N GLU A 116 -5.700 4.009 4.956 1.00 0.14 N ATOM 711 CA GLU A 116 -6.523 2.817 4.758 1.00 0.13 C ATOM 712 C GLU A 116 -5.687 1.732 4.096 1.00 0.11 C ATOM 713 O GLU A 116 -6.144 0.602 3.867 1.00 0.15 O ATOM 714 CB GLU A 116 -7.745 3.143 3.905 1.00 0.20 C ATOM 715 CG GLU A 116 -8.658 4.179 4.534 1.00 0.36 C ATOM 716 CD GLU A 116 -9.097 3.786 5.928 1.00 0.47 C ATOM 717 OE1 GLU A 116 -9.878 2.823 6.057 1.00 0.53 O ATOM 718 OE2 GLU A 116 -8.660 4.432 6.897 1.00 0.80 O ATOM 0 H GLU A 116 -5.852 4.746 4.268 1.00 0.14 H new ATOM 0 HA GLU A 116 -6.874 2.461 5.726 1.00 0.13 H new ATOM 0 HB2 GLU A 116 -7.414 3.504 2.931 1.00 0.20 H new ATOM 0 HB3 GLU A 116 -8.311 2.228 3.730 1.00 0.20 H new ATOM 0 HG2 GLU A 116 -8.142 5.138 4.575 1.00 0.36 H new ATOM 0 HG3 GLU A 116 -9.537 4.316 3.904 1.00 0.36 H new ATOM 725 N ILE A 117 -4.461 2.127 3.777 1.00 0.11 N ATOM 726 CA ILE A 117 -3.442 1.253 3.242 1.00 0.12 C ATOM 727 C ILE A 117 -2.299 1.179 4.237 1.00 0.16 C ATOM 728 O ILE A 117 -1.807 2.212 4.694 1.00 0.26 O ATOM 729 CB ILE A 117 -2.880 1.815 1.922 1.00 0.12 C ATOM 730 CG1 ILE A 117 -4.006 2.076 0.926 1.00 0.12 C ATOM 731 CG2 ILE A 117 -1.843 0.870 1.333 1.00 0.16 C ATOM 732 CD1 ILE A 117 -3.581 2.929 -0.244 1.00 0.14 C ATOM 0 H ILE A 117 -4.146 3.091 3.889 1.00 0.11 H new ATOM 0 HA ILE A 117 -3.882 0.272 3.062 1.00 0.12 H new ATOM 0 HB ILE A 117 -2.389 2.765 2.135 1.00 0.12 H new ATOM 0 HG12 ILE A 117 -4.381 1.123 0.554 1.00 0.12 H new ATOM 0 HG13 ILE A 117 -4.832 2.565 1.442 1.00 0.12 H new ATOM 0 HG21 ILE A 117 -1.459 1.286 0.401 1.00 0.16 H new ATOM 0 HG22 ILE A 117 -1.023 0.744 2.039 1.00 0.16 H new ATOM 0 HG23 ILE A 117 -2.303 -0.098 1.136 1.00 0.16 H new ATOM 0 HD11 ILE A 117 -4.428 3.076 -0.914 1.00 0.14 H new ATOM 0 HD12 ILE A 117 -3.233 3.896 0.118 1.00 0.14 H new ATOM 0 HD13 ILE A 117 -2.775 2.432 -0.783 1.00 0.14 H new ATOM 744 N LYS A 118 -1.878 -0.011 4.598 1.00 0.20 N ATOM 745 CA LYS A 118 -0.733 -0.134 5.473 1.00 0.26 C ATOM 746 C LYS A 118 0.188 -1.243 4.993 1.00 0.17 C ATOM 747 O LYS A 118 -0.183 -2.413 4.975 1.00 0.19 O ATOM 748 CB LYS A 118 -1.191 -0.372 6.913 1.00 0.41 C ATOM 749 CG LYS A 118 -0.201 0.133 7.950 1.00 0.53 C ATOM 750 CD LYS A 118 0.954 -0.830 8.156 1.00 0.35 C ATOM 751 CE LYS A 118 0.546 -2.012 9.010 1.00 0.71 C ATOM 752 NZ LYS A 118 0.018 -1.597 10.339 1.00 1.01 N ATOM 0 H LYS A 118 -2.301 -0.893 4.307 1.00 0.20 H new ATOM 0 HA LYS A 118 -0.168 0.798 5.449 1.00 0.26 H new ATOM 0 HB2 LYS A 118 -2.151 0.120 7.068 1.00 0.41 H new ATOM 0 HB3 LYS A 118 -1.352 -1.439 7.064 1.00 0.41 H new ATOM 0 HG2 LYS A 118 0.188 1.102 7.637 1.00 0.53 H new ATOM 0 HG3 LYS A 118 -0.717 0.287 8.898 1.00 0.53 H new ATOM 0 HD2 LYS A 118 1.310 -1.184 7.189 1.00 0.35 H new ATOM 0 HD3 LYS A 118 1.785 -0.307 8.630 1.00 0.35 H new ATOM 0 HE2 LYS A 118 -0.214 -2.591 8.485 1.00 0.71 H new ATOM 0 HE3 LYS A 118 1.405 -2.668 9.152 1.00 0.71 H new ATOM 0 HZ1 LYS A 118 0.283 -2.304 11.054 1.00 1.01 H new ATOM 0 HZ2 LYS A 118 0.420 -0.674 10.599 1.00 1.01 H new ATOM 0 HZ3 LYS A 118 -1.018 -1.523 10.293 1.00 1.01 H new ATOM 766 N LEU A 119 1.388 -0.853 4.596 1.00 0.20 N ATOM 767 CA LEU A 119 2.394 -1.793 4.130 1.00 0.19 C ATOM 768 C LEU A 119 3.273 -2.239 5.299 1.00 0.17 C ATOM 769 O LEU A 119 3.498 -1.473 6.236 1.00 0.19 O ATOM 770 CB LEU A 119 3.249 -1.142 3.028 1.00 0.27 C ATOM 771 CG LEU A 119 2.562 -0.958 1.666 1.00 0.26 C ATOM 772 CD1 LEU A 119 3.340 0.017 0.794 1.00 0.69 C ATOM 773 CD2 LEU A 119 2.445 -2.289 0.954 1.00 0.73 C ATOM 0 H LEU A 119 1.692 0.121 4.588 1.00 0.20 H new ATOM 0 HA LEU A 119 1.900 -2.671 3.714 1.00 0.19 H new ATOM 0 HB2 LEU A 119 3.580 -0.165 3.381 1.00 0.27 H new ATOM 0 HB3 LEU A 119 4.143 -1.748 2.883 1.00 0.27 H new ATOM 0 HG LEU A 119 1.566 -0.553 1.843 1.00 0.26 H new ATOM 0 HD11 LEU A 119 2.834 0.131 -0.165 1.00 0.69 H new ATOM 0 HD12 LEU A 119 3.396 0.985 1.292 1.00 0.69 H new ATOM 0 HD13 LEU A 119 4.347 -0.366 0.630 1.00 0.69 H new ATOM 0 HD21 LEU A 119 1.956 -2.144 -0.010 1.00 0.73 H new ATOM 0 HD22 LEU A 119 3.440 -2.707 0.798 1.00 0.73 H new ATOM 0 HD23 LEU A 119 1.855 -2.976 1.561 1.00 0.73 H new ATOM 785 N LEU A 120 3.729 -3.482 5.262 1.00 0.16 N ATOM 786 CA LEU A 120 4.659 -3.989 6.264 1.00 0.15 C ATOM 787 C LEU A 120 5.851 -4.642 5.583 1.00 0.18 C ATOM 788 O LEU A 120 5.690 -5.389 4.617 1.00 0.23 O ATOM 789 CB LEU A 120 4.007 -5.017 7.202 1.00 0.17 C ATOM 790 CG LEU A 120 2.729 -4.576 7.918 1.00 0.18 C ATOM 791 CD1 LEU A 120 1.504 -4.848 7.058 1.00 0.21 C ATOM 792 CD2 LEU A 120 2.604 -5.275 9.265 1.00 0.22 C ATOM 0 H LEU A 120 3.470 -4.162 4.547 1.00 0.16 H new ATOM 0 HA LEU A 120 4.976 -3.134 6.862 1.00 0.15 H new ATOM 0 HB2 LEU A 120 3.781 -5.912 6.622 1.00 0.17 H new ATOM 0 HB3 LEU A 120 4.740 -5.302 7.957 1.00 0.17 H new ATOM 0 HG LEU A 120 2.789 -3.501 8.091 1.00 0.18 H new ATOM 0 HD11 LEU A 120 0.608 -4.526 7.589 1.00 0.21 H new ATOM 0 HD12 LEU A 120 1.588 -4.298 6.121 1.00 0.21 H new ATOM 0 HD13 LEU A 120 1.437 -5.915 6.847 1.00 0.21 H new ATOM 0 HD21 LEU A 120 1.689 -4.949 9.760 1.00 0.22 H new ATOM 0 HD22 LEU A 120 2.570 -6.354 9.113 1.00 0.22 H new ATOM 0 HD23 LEU A 120 3.463 -5.023 9.887 1.00 0.22 H new ATOM 804 N LEU A 121 7.040 -4.355 6.086 1.00 0.19 N ATOM 805 CA LEU A 121 8.251 -4.989 5.590 1.00 0.25 C ATOM 806 C LEU A 121 8.853 -5.828 6.708 1.00 0.33 C ATOM 807 O LEU A 121 9.360 -5.282 7.687 1.00 0.37 O ATOM 808 CB LEU A 121 9.256 -3.929 5.115 1.00 0.29 C ATOM 809 CG LEU A 121 10.165 -4.340 3.946 1.00 0.53 C ATOM 810 CD1 LEU A 121 11.099 -3.198 3.577 1.00 1.36 C ATOM 811 CD2 LEU A 121 10.969 -5.590 4.277 1.00 1.18 C ATOM 0 H LEU A 121 7.193 -3.685 6.840 1.00 0.19 H new ATOM 0 HA LEU A 121 8.010 -5.627 4.740 1.00 0.25 H new ATOM 0 HB2 LEU A 121 8.702 -3.037 4.823 1.00 0.29 H new ATOM 0 HB3 LEU A 121 9.887 -3.650 5.959 1.00 0.29 H new ATOM 0 HG LEU A 121 9.526 -4.569 3.093 1.00 0.53 H new ATOM 0 HD11 LEU A 121 11.737 -3.503 2.748 1.00 1.36 H new ATOM 0 HD12 LEU A 121 10.512 -2.328 3.282 1.00 1.36 H new ATOM 0 HD13 LEU A 121 11.719 -2.943 4.437 1.00 1.36 H new ATOM 0 HD21 LEU A 121 11.601 -5.852 3.428 1.00 1.18 H new ATOM 0 HD22 LEU A 121 11.594 -5.400 5.149 1.00 1.18 H new ATOM 0 HD23 LEU A 121 10.289 -6.414 4.491 1.00 1.18 H new ATOM 823 N LYS A 122 8.766 -7.149 6.573 1.00 0.43 N ATOM 824 CA LYS A 122 9.255 -8.074 7.600 1.00 0.54 C ATOM 825 C LYS A 122 8.437 -7.903 8.886 1.00 0.44 C ATOM 826 O LYS A 122 8.918 -8.132 9.996 1.00 0.52 O ATOM 827 CB LYS A 122 10.755 -7.835 7.855 1.00 0.71 C ATOM 828 CG LYS A 122 11.415 -8.866 8.757 1.00 1.20 C ATOM 829 CD LYS A 122 12.891 -8.563 8.957 1.00 1.39 C ATOM 830 CE LYS A 122 13.553 -9.587 9.865 1.00 2.05 C ATOM 831 NZ LYS A 122 13.487 -10.958 9.297 1.00 2.47 N ATOM 0 H LYS A 122 8.359 -7.608 5.758 1.00 0.43 H new ATOM 0 HA LYS A 122 9.133 -9.100 7.253 1.00 0.54 H new ATOM 0 HB2 LYS A 122 11.276 -7.823 6.897 1.00 0.71 H new ATOM 0 HB3 LYS A 122 10.882 -6.848 8.300 1.00 0.71 H new ATOM 0 HG2 LYS A 122 10.911 -8.882 9.723 1.00 1.20 H new ATOM 0 HG3 LYS A 122 11.301 -9.859 8.322 1.00 1.20 H new ATOM 0 HD2 LYS A 122 13.395 -8.552 7.991 1.00 1.39 H new ATOM 0 HD3 LYS A 122 13.004 -7.568 9.387 1.00 1.39 H new ATOM 0 HE2 LYS A 122 14.595 -9.310 10.025 1.00 2.05 H new ATOM 0 HE3 LYS A 122 13.067 -9.575 10.841 1.00 2.05 H new ATOM 0 HZ1 LYS A 122 14.129 -11.583 9.824 1.00 2.47 H new ATOM 0 HZ2 LYS A 122 12.514 -11.318 9.372 1.00 2.47 H new ATOM 0 HZ3 LYS A 122 13.771 -10.933 8.297 1.00 2.47 H new ATOM 845 N GLY A 123 7.186 -7.494 8.720 1.00 0.36 N ATOM 846 CA GLY A 123 6.314 -7.279 9.859 1.00 0.39 C ATOM 847 C GLY A 123 6.391 -5.860 10.386 1.00 0.35 C ATOM 848 O GLY A 123 5.556 -5.445 11.189 1.00 0.47 O ATOM 0 H GLY A 123 6.758 -7.307 7.813 1.00 0.36 H new ATOM 0 HA2 GLY A 123 5.286 -7.502 9.573 1.00 0.39 H new ATOM 0 HA3 GLY A 123 6.582 -7.974 10.655 1.00 0.39 H new ATOM 852 N LYS A 124 7.390 -5.117 9.929 1.00 0.26 N ATOM 853 CA LYS A 124 7.587 -3.745 10.369 1.00 0.29 C ATOM 854 C LYS A 124 6.537 -2.831 9.754 1.00 0.23 C ATOM 855 O LYS A 124 6.419 -2.741 8.530 1.00 0.21 O ATOM 856 CB LYS A 124 8.995 -3.266 10.000 1.00 0.37 C ATOM 857 CG LYS A 124 9.303 -1.839 10.428 1.00 0.46 C ATOM 858 CD LYS A 124 9.240 -1.674 11.937 1.00 0.53 C ATOM 859 CE LYS A 124 9.612 -0.263 12.358 1.00 1.36 C ATOM 860 NZ LYS A 124 9.518 -0.082 13.829 1.00 1.94 N ATOM 0 H LYS A 124 8.078 -5.444 9.251 1.00 0.26 H new ATOM 0 HA LYS A 124 7.480 -3.710 11.453 1.00 0.29 H new ATOM 0 HB2 LYS A 124 9.725 -3.935 10.456 1.00 0.37 H new ATOM 0 HB3 LYS A 124 9.121 -3.344 8.920 1.00 0.37 H new ATOM 0 HG2 LYS A 124 10.295 -1.560 10.073 1.00 0.46 H new ATOM 0 HG3 LYS A 124 8.593 -1.158 9.958 1.00 0.46 H new ATOM 0 HD2 LYS A 124 8.235 -1.906 12.288 1.00 0.53 H new ATOM 0 HD3 LYS A 124 9.916 -2.386 12.411 1.00 0.53 H new ATOM 0 HE2 LYS A 124 10.627 -0.042 12.029 1.00 1.36 H new ATOM 0 HE3 LYS A 124 8.953 0.450 11.862 1.00 1.36 H new ATOM 0 HZ1 LYS A 124 9.780 0.894 14.076 1.00 1.94 H new ATOM 0 HZ2 LYS A 124 8.543 -0.268 14.140 1.00 1.94 H new ATOM 0 HZ3 LYS A 124 10.165 -0.744 14.302 1.00 1.94 H new ATOM 874 N VAL A 125 5.770 -2.178 10.616 1.00 0.24 N ATOM 875 CA VAL A 125 4.743 -1.241 10.188 1.00 0.21 C ATOM 876 C VAL A 125 5.354 -0.053 9.453 1.00 0.22 C ATOM 877 O VAL A 125 6.198 0.660 9.996 1.00 0.30 O ATOM 878 CB VAL A 125 3.919 -0.740 11.396 1.00 0.24 C ATOM 879 CG1 VAL A 125 3.028 0.438 11.020 1.00 0.26 C ATOM 880 CG2 VAL A 125 3.080 -1.879 11.951 1.00 0.27 C ATOM 0 H VAL A 125 5.842 -2.283 11.628 1.00 0.24 H new ATOM 0 HA VAL A 125 4.081 -1.771 9.503 1.00 0.21 H new ATOM 0 HB VAL A 125 4.615 -0.393 12.160 1.00 0.24 H new ATOM 0 HG11 VAL A 125 2.465 0.762 11.895 1.00 0.26 H new ATOM 0 HG12 VAL A 125 3.646 1.261 10.661 1.00 0.26 H new ATOM 0 HG13 VAL A 125 2.336 0.134 10.235 1.00 0.26 H new ATOM 0 HG21 VAL A 125 2.500 -1.523 12.802 1.00 0.27 H new ATOM 0 HG22 VAL A 125 2.403 -2.243 11.178 1.00 0.27 H new ATOM 0 HG23 VAL A 125 3.734 -2.690 12.271 1.00 0.27 H new ATOM 890 N LEU A 126 4.937 0.132 8.212 1.00 0.20 N ATOM 891 CA LEU A 126 5.395 1.246 7.403 1.00 0.22 C ATOM 892 C LEU A 126 4.356 2.357 7.421 1.00 0.24 C ATOM 893 O LEU A 126 3.202 2.150 7.031 1.00 0.31 O ATOM 894 CB LEU A 126 5.640 0.772 5.973 1.00 0.22 C ATOM 895 CG LEU A 126 6.525 -0.469 5.857 1.00 0.22 C ATOM 896 CD1 LEU A 126 6.504 -1.006 4.439 1.00 0.30 C ATOM 897 CD2 LEU A 126 7.947 -0.155 6.287 1.00 0.23 C ATOM 0 H LEU A 126 4.275 -0.483 7.740 1.00 0.20 H new ATOM 0 HA LEU A 126 6.328 1.633 7.812 1.00 0.22 H new ATOM 0 HB2 LEU A 126 4.679 0.562 5.504 1.00 0.22 H new ATOM 0 HB3 LEU A 126 6.099 1.584 5.409 1.00 0.22 H new ATOM 0 HG LEU A 126 6.128 -1.236 6.522 1.00 0.22 H new ATOM 0 HD11 LEU A 126 7.139 -1.889 4.375 1.00 0.30 H new ATOM 0 HD12 LEU A 126 5.483 -1.273 4.166 1.00 0.30 H new ATOM 0 HD13 LEU A 126 6.874 -0.242 3.755 1.00 0.30 H new ATOM 0 HD21 LEU A 126 8.561 -1.051 6.197 1.00 0.23 H new ATOM 0 HD22 LEU A 126 8.355 0.630 5.650 1.00 0.23 H new ATOM 0 HD23 LEU A 126 7.948 0.183 7.323 1.00 0.23 H new ATOM 909 N HIS A 127 4.760 3.529 7.891 1.00 0.24 N ATOM 910 CA HIS A 127 3.841 4.650 8.033 1.00 0.25 C ATOM 911 C HIS A 127 3.476 5.240 6.680 1.00 0.22 C ATOM 912 O HIS A 127 4.075 4.892 5.662 1.00 0.28 O ATOM 913 CB HIS A 127 4.433 5.744 8.923 1.00 0.28 C ATOM 914 CG HIS A 127 4.727 5.300 10.323 1.00 0.74 C ATOM 915 ND1 HIS A 127 5.718 5.860 11.098 1.00 1.35 N ATOM 916 CD2 HIS A 127 4.151 4.344 11.088 1.00 1.31 C ATOM 917 CE1 HIS A 127 5.741 5.265 12.274 1.00 1.67 C ATOM 918 NE2 HIS A 127 4.801 4.343 12.294 1.00 1.62 N ATOM 0 H HIS A 127 5.718 3.728 8.180 1.00 0.24 H new ATOM 0 HA HIS A 127 2.938 4.263 8.504 1.00 0.25 H new ATOM 0 HB2 HIS A 127 5.354 6.109 8.468 1.00 0.28 H new ATOM 0 HB3 HIS A 127 3.740 6.584 8.958 1.00 0.28 H new ATOM 0 HD2 HIS A 127 3.332 3.702 10.801 1.00 1.31 H new ATOM 0 HE1 HIS A 127 6.417 5.495 13.084 1.00 1.67 H new ATOM 0 HE2 HIS A 127 4.591 3.728 13.080 1.00 1.62 H new ATOM 927 N ASP A 128 2.499 6.136 6.676 1.00 0.24 N ATOM 928 CA ASP A 128 2.008 6.736 5.443 1.00 0.25 C ATOM 929 C ASP A 128 3.132 7.390 4.635 1.00 0.20 C ATOM 930 O ASP A 128 3.254 7.128 3.449 1.00 0.22 O ATOM 931 CB ASP A 128 0.884 7.742 5.729 1.00 0.32 C ATOM 932 CG ASP A 128 1.277 8.833 6.701 1.00 0.35 C ATOM 933 OD1 ASP A 128 1.230 8.594 7.921 1.00 0.45 O ATOM 934 OD2 ASP A 128 1.650 9.935 6.244 1.00 0.42 O ATOM 0 H ASP A 128 2.028 6.465 7.519 1.00 0.24 H new ATOM 0 HA ASP A 128 1.600 5.929 4.835 1.00 0.25 H new ATOM 0 HB2 ASP A 128 0.570 8.199 4.791 1.00 0.32 H new ATOM 0 HB3 ASP A 128 0.022 7.207 6.127 1.00 0.32 H new ATOM 939 N ASN A 129 3.980 8.191 5.274 1.00 0.19 N ATOM 940 CA ASN A 129 4.983 8.969 4.538 1.00 0.19 C ATOM 941 C ASN A 129 6.417 8.472 4.751 1.00 0.17 C ATOM 942 O ASN A 129 7.363 9.257 4.686 1.00 0.22 O ATOM 943 CB ASN A 129 4.891 10.461 4.890 1.00 0.28 C ATOM 944 CG ASN A 129 5.091 10.744 6.368 1.00 1.11 C ATOM 945 OD1 ASN A 129 6.215 10.924 6.836 1.00 1.91 O ATOM 946 ND2 ASN A 129 4.004 10.786 7.119 1.00 1.48 N ATOM 0 H ASN A 129 3.997 8.321 6.286 1.00 0.19 H new ATOM 0 HA ASN A 129 4.750 8.827 3.483 1.00 0.19 H new ATOM 0 HB2 ASN A 129 5.640 11.009 4.318 1.00 0.28 H new ATOM 0 HB3 ASN A 129 3.916 10.840 4.584 1.00 0.28 H new ATOM 0 HD21 ASN A 129 4.082 10.972 8.119 1.00 1.48 H new ATOM 0 HD22 ASN A 129 3.087 10.632 6.699 1.00 1.48 H new ATOM 953 N LEU A 130 6.587 7.181 5.004 1.00 0.15 N ATOM 954 CA LEU A 130 7.929 6.615 5.161 1.00 0.19 C ATOM 955 C LEU A 130 8.662 6.606 3.817 1.00 0.15 C ATOM 956 O LEU A 130 8.067 6.325 2.782 1.00 0.14 O ATOM 957 CB LEU A 130 7.851 5.193 5.730 1.00 0.25 C ATOM 958 CG LEU A 130 8.802 4.892 6.901 1.00 0.33 C ATOM 959 CD1 LEU A 130 10.257 5.055 6.486 1.00 0.33 C ATOM 960 CD2 LEU A 130 8.488 5.784 8.093 1.00 0.39 C ATOM 0 H LEU A 130 5.826 6.510 5.105 1.00 0.15 H new ATOM 0 HA LEU A 130 8.485 7.238 5.861 1.00 0.19 H new ATOM 0 HB2 LEU A 130 6.828 5.008 6.059 1.00 0.25 H new ATOM 0 HB3 LEU A 130 8.059 4.487 4.926 1.00 0.25 H new ATOM 0 HG LEU A 130 8.648 3.853 7.194 1.00 0.33 H new ATOM 0 HD11 LEU A 130 10.904 4.835 7.335 1.00 0.33 H new ATOM 0 HD12 LEU A 130 10.482 4.367 5.671 1.00 0.33 H new ATOM 0 HD13 LEU A 130 10.428 6.079 6.155 1.00 0.33 H new ATOM 0 HD21 LEU A 130 9.172 5.554 8.910 1.00 0.39 H new ATOM 0 HD22 LEU A 130 8.604 6.829 7.806 1.00 0.39 H new ATOM 0 HD23 LEU A 130 7.463 5.609 8.419 1.00 0.39 H new ATOM 972 N PHE A 131 9.947 6.937 3.836 1.00 0.19 N ATOM 973 CA PHE A 131 10.759 6.948 2.620 1.00 0.19 C ATOM 974 C PHE A 131 11.380 5.578 2.370 1.00 0.19 C ATOM 975 O PHE A 131 11.814 4.903 3.306 1.00 0.21 O ATOM 976 CB PHE A 131 11.870 7.998 2.732 1.00 0.22 C ATOM 977 CG PHE A 131 11.381 9.417 2.666 1.00 0.28 C ATOM 978 CD1 PHE A 131 10.760 9.998 3.758 1.00 0.38 C ATOM 979 CD2 PHE A 131 11.537 10.165 1.512 1.00 0.35 C ATOM 980 CE1 PHE A 131 10.306 11.301 3.702 1.00 0.47 C ATOM 981 CE2 PHE A 131 11.086 11.469 1.449 1.00 0.44 C ATOM 982 CZ PHE A 131 10.482 12.041 2.539 1.00 0.47 C ATOM 0 H PHE A 131 10.453 7.202 4.681 1.00 0.19 H new ATOM 0 HA PHE A 131 10.107 7.198 1.783 1.00 0.19 H new ATOM 0 HB2 PHE A 131 12.401 7.851 3.673 1.00 0.22 H new ATOM 0 HB3 PHE A 131 12.591 7.836 1.931 1.00 0.22 H new ATOM 0 HD1 PHE A 131 10.629 9.426 4.664 1.00 0.38 H new ATOM 0 HD2 PHE A 131 12.017 9.724 0.651 1.00 0.35 H new ATOM 0 HE1 PHE A 131 9.817 11.743 4.558 1.00 0.47 H new ATOM 0 HE2 PHE A 131 11.209 12.039 0.540 1.00 0.44 H new ATOM 0 HZ PHE A 131 10.143 13.066 2.494 1.00 0.47 H new ATOM 992 N LEU A 132 11.440 5.180 1.098 1.00 0.19 N ATOM 993 CA LEU A 132 11.974 3.868 0.729 1.00 0.21 C ATOM 994 C LEU A 132 13.480 3.813 0.936 1.00 0.23 C ATOM 995 O LEU A 132 14.063 2.735 0.975 1.00 0.26 O ATOM 996 CB LEU A 132 11.650 3.504 -0.729 1.00 0.23 C ATOM 997 CG LEU A 132 10.244 2.957 -1.000 1.00 0.21 C ATOM 998 CD1 LEU A 132 9.172 3.975 -0.642 1.00 0.16 C ATOM 999 CD2 LEU A 132 10.115 2.550 -2.460 1.00 0.28 C ATOM 0 H LEU A 132 11.127 5.745 0.309 1.00 0.19 H new ATOM 0 HA LEU A 132 11.491 3.141 1.382 1.00 0.21 H new ATOM 0 HB2 LEU A 132 11.795 4.393 -1.343 1.00 0.23 H new ATOM 0 HB3 LEU A 132 12.375 2.763 -1.065 1.00 0.23 H new ATOM 0 HG LEU A 132 10.097 2.081 -0.368 1.00 0.21 H new ATOM 0 HD11 LEU A 132 8.188 3.554 -0.847 1.00 0.16 H new ATOM 0 HD12 LEU A 132 9.247 4.225 0.416 1.00 0.16 H new ATOM 0 HD13 LEU A 132 9.312 4.876 -1.239 1.00 0.16 H new ATOM 0 HD21 LEU A 132 9.113 2.163 -2.643 1.00 0.28 H new ATOM 0 HD22 LEU A 132 10.290 3.417 -3.096 1.00 0.28 H new ATOM 0 HD23 LEU A 132 10.850 1.778 -2.689 1.00 0.28 H new ATOM 1011 N SER A 133 14.102 4.976 1.059 1.00 0.24 N ATOM 1012 CA SER A 133 15.533 5.058 1.295 1.00 0.28 C ATOM 1013 C SER A 133 15.874 4.579 2.701 1.00 0.32 C ATOM 1014 O SER A 133 16.980 4.101 2.960 1.00 0.39 O ATOM 1015 CB SER A 133 16.009 6.493 1.074 1.00 0.33 C ATOM 1016 OG SER A 133 15.137 7.417 1.708 1.00 1.25 O ATOM 0 H SER A 133 13.634 5.880 0.999 1.00 0.24 H new ATOM 0 HA SER A 133 16.049 4.406 0.590 1.00 0.28 H new ATOM 0 HB2 SER A 133 17.019 6.611 1.467 1.00 0.33 H new ATOM 0 HB3 SER A 133 16.056 6.705 0.006 1.00 0.33 H new ATOM 0 HG SER A 133 15.461 8.329 1.556 1.00 1.25 H new ATOM 1022 N ASP A 134 14.910 4.697 3.605 1.00 0.32 N ATOM 1023 CA ASP A 134 15.072 4.196 4.960 1.00 0.38 C ATOM 1024 C ASP A 134 14.738 2.713 4.989 1.00 0.39 C ATOM 1025 O ASP A 134 15.380 1.924 5.682 1.00 0.49 O ATOM 1026 CB ASP A 134 14.157 4.961 5.921 1.00 0.40 C ATOM 1027 CG ASP A 134 14.374 4.573 7.370 1.00 1.12 C ATOM 1028 OD1 ASP A 134 15.249 5.171 8.031 1.00 1.33 O ATOM 1029 OD2 ASP A 134 13.679 3.650 7.850 1.00 1.93 O ATOM 0 H ASP A 134 14.008 5.136 3.422 1.00 0.32 H new ATOM 0 HA ASP A 134 16.104 4.342 5.278 1.00 0.38 H new ATOM 0 HB2 ASP A 134 14.330 6.031 5.806 1.00 0.40 H new ATOM 0 HB3 ASP A 134 13.117 4.775 5.651 1.00 0.40 H new ATOM 1034 N LEU A 135 13.738 2.347 4.197 1.00 0.34 N ATOM 1035 CA LEU A 135 13.263 0.972 4.122 1.00 0.36 C ATOM 1036 C LEU A 135 14.280 0.080 3.422 1.00 0.39 C ATOM 1037 O LEU A 135 14.650 -0.975 3.938 1.00 0.42 O ATOM 1038 CB LEU A 135 11.948 0.918 3.347 1.00 0.34 C ATOM 1039 CG LEU A 135 10.888 1.927 3.780 1.00 0.30 C ATOM 1040 CD1 LEU A 135 9.613 1.713 2.993 1.00 0.32 C ATOM 1041 CD2 LEU A 135 10.619 1.823 5.269 1.00 0.34 C ATOM 0 H LEU A 135 13.235 2.994 3.590 1.00 0.34 H new ATOM 0 HA LEU A 135 13.115 0.613 5.140 1.00 0.36 H new ATOM 0 HB2 LEU A 135 12.163 1.074 2.290 1.00 0.34 H new ATOM 0 HB3 LEU A 135 11.531 -0.084 3.443 1.00 0.34 H new ATOM 0 HG LEU A 135 11.262 2.930 3.575 1.00 0.30 H new ATOM 0 HD11 LEU A 135 8.864 2.438 3.310 1.00 0.32 H new ATOM 0 HD12 LEU A 135 9.816 1.842 1.930 1.00 0.32 H new ATOM 0 HD13 LEU A 135 9.240 0.704 3.172 1.00 0.32 H new ATOM 0 HD21 LEU A 135 9.860 2.552 5.553 1.00 0.34 H new ATOM 0 HD22 LEU A 135 10.265 0.820 5.506 1.00 0.34 H new ATOM 0 HD23 LEU A 135 11.538 2.023 5.820 1.00 0.34 H new ATOM 1053 N LYS A 136 14.721 0.522 2.248 1.00 0.39 N ATOM 1054 CA LYS A 136 15.611 -0.255 1.395 1.00 0.42 C ATOM 1055 C LYS A 136 14.954 -1.574 1.012 1.00 0.41 C ATOM 1056 O LYS A 136 15.283 -2.632 1.553 1.00 0.47 O ATOM 1057 CB LYS A 136 16.964 -0.493 2.077 1.00 0.47 C ATOM 1058 CG LYS A 136 17.973 -1.228 1.204 1.00 1.24 C ATOM 1059 CD LYS A 136 19.314 -1.393 1.905 1.00 1.64 C ATOM 1060 CE LYS A 136 19.177 -2.158 3.214 1.00 2.49 C ATOM 1061 NZ LYS A 136 20.490 -2.345 3.886 1.00 2.87 N ATOM 0 H LYS A 136 14.470 1.432 1.861 1.00 0.39 H new ATOM 0 HA LYS A 136 15.798 0.316 0.485 1.00 0.42 H new ATOM 0 HB2 LYS A 136 17.385 0.468 2.372 1.00 0.47 H new ATOM 0 HB3 LYS A 136 16.804 -1.065 2.991 1.00 0.47 H new ATOM 0 HG2 LYS A 136 17.578 -2.209 0.940 1.00 1.24 H new ATOM 0 HG3 LYS A 136 18.115 -0.680 0.273 1.00 1.24 H new ATOM 0 HD2 LYS A 136 20.006 -1.919 1.247 1.00 1.64 H new ATOM 0 HD3 LYS A 136 19.745 -0.411 2.101 1.00 1.64 H new ATOM 0 HE2 LYS A 136 18.502 -1.621 3.880 1.00 2.49 H new ATOM 0 HE3 LYS A 136 18.726 -3.131 3.020 1.00 2.49 H new ATOM 0 HZ1 LYS A 136 20.354 -2.870 4.773 1.00 2.87 H new ATOM 0 HZ2 LYS A 136 21.127 -2.880 3.261 1.00 2.87 H new ATOM 0 HZ3 LYS A 136 20.909 -1.416 4.094 1.00 2.87 H new ATOM 1075 N VAL A 137 13.999 -1.499 0.091 1.00 0.37 N ATOM 1076 CA VAL A 137 13.331 -2.693 -0.401 1.00 0.38 C ATOM 1077 C VAL A 137 14.261 -3.436 -1.351 1.00 0.43 C ATOM 1078 O VAL A 137 14.440 -3.037 -2.503 1.00 0.48 O ATOM 1079 CB VAL A 137 12.014 -2.362 -1.139 1.00 0.38 C ATOM 1080 CG1 VAL A 137 11.131 -3.596 -1.229 1.00 0.45 C ATOM 1081 CG2 VAL A 137 11.279 -1.206 -0.467 1.00 0.47 C ATOM 0 H VAL A 137 13.673 -0.627 -0.327 1.00 0.37 H new ATOM 0 HA VAL A 137 13.085 -3.312 0.462 1.00 0.38 H new ATOM 0 HB VAL A 137 12.262 -2.045 -2.152 1.00 0.38 H new ATOM 0 HG11 VAL A 137 10.208 -3.345 -1.751 1.00 0.45 H new ATOM 0 HG12 VAL A 137 11.656 -4.380 -1.775 1.00 0.45 H new ATOM 0 HG13 VAL A 137 10.895 -3.949 -0.225 1.00 0.45 H new ATOM 0 HG21 VAL A 137 10.357 -0.997 -1.009 1.00 0.47 H new ATOM 0 HG22 VAL A 137 11.042 -1.475 0.562 1.00 0.47 H new ATOM 0 HG23 VAL A 137 11.913 -0.319 -0.473 1.00 0.47 H new ATOM 1091 N THR A 138 14.870 -4.498 -0.856 1.00 0.50 N ATOM 1092 CA THR A 138 15.807 -5.274 -1.650 1.00 0.60 C ATOM 1093 C THR A 138 15.078 -6.289 -2.527 1.00 0.55 C ATOM 1094 O THR A 138 13.955 -6.679 -2.207 1.00 0.51 O ATOM 1095 CB THR A 138 16.832 -5.997 -0.751 1.00 0.73 C ATOM 1096 OG1 THR A 138 16.157 -6.792 0.234 1.00 0.72 O ATOM 1097 CG2 THR A 138 17.746 -4.995 -0.059 1.00 0.88 C ATOM 0 H THR A 138 14.733 -4.844 0.094 1.00 0.50 H new ATOM 0 HA THR A 138 16.341 -4.576 -2.296 1.00 0.60 H new ATOM 0 HB THR A 138 17.438 -6.646 -1.384 1.00 0.73 H new ATOM 0 HG1 THR A 138 16.818 -7.247 0.797 1.00 0.72 H new ATOM 0 HG21 THR A 138 18.460 -5.527 0.569 1.00 0.88 H new ATOM 0 HG22 THR A 138 18.284 -4.415 -0.809 1.00 0.88 H new ATOM 0 HG23 THR A 138 17.149 -4.324 0.559 1.00 0.88 H new ATOM 1105 N PRO A 139 15.685 -6.715 -3.649 1.00 0.63 N ATOM 1106 CA PRO A 139 15.054 -7.647 -4.598 1.00 0.67 C ATOM 1107 C PRO A 139 14.402 -8.858 -3.925 1.00 0.63 C ATOM 1108 O PRO A 139 13.267 -9.225 -4.252 1.00 0.74 O ATOM 1109 CB PRO A 139 16.224 -8.089 -5.475 1.00 0.86 C ATOM 1110 CG PRO A 139 17.155 -6.928 -5.466 1.00 0.93 C ATOM 1111 CD PRO A 139 17.033 -6.307 -4.098 1.00 0.77 C ATOM 0 HA PRO A 139 14.237 -7.172 -5.140 1.00 0.67 H new ATOM 0 HB2 PRO A 139 16.702 -8.984 -5.078 1.00 0.86 H new ATOM 0 HB3 PRO A 139 15.895 -8.326 -6.487 1.00 0.86 H new ATOM 0 HG2 PRO A 139 18.179 -7.248 -5.659 1.00 0.93 H new ATOM 0 HG3 PRO A 139 16.893 -6.212 -6.244 1.00 0.93 H new ATOM 0 HD2 PRO A 139 17.807 -6.670 -3.422 1.00 0.77 H new ATOM 0 HD3 PRO A 139 17.130 -5.222 -4.140 1.00 0.77 H new ATOM 1119 N ALA A 140 15.109 -9.460 -2.973 1.00 0.64 N ATOM 1120 CA ALA A 140 14.621 -10.659 -2.301 1.00 0.72 C ATOM 1121 C ALA A 140 13.512 -10.337 -1.302 1.00 0.64 C ATOM 1122 O ALA A 140 12.691 -11.195 -0.979 1.00 0.77 O ATOM 1123 CB ALA A 140 15.767 -11.377 -1.606 1.00 0.89 C ATOM 0 H ALA A 140 16.021 -9.137 -2.650 1.00 0.64 H new ATOM 0 HA ALA A 140 14.198 -11.315 -3.062 1.00 0.72 H new ATOM 0 HB1 ALA A 140 15.389 -12.270 -1.109 1.00 0.89 H new ATOM 0 HB2 ALA A 140 16.518 -11.663 -2.343 1.00 0.89 H new ATOM 0 HB3 ALA A 140 16.217 -10.714 -0.868 1.00 0.89 H new ATOM 1129 N ASN A 141 13.478 -9.101 -0.826 1.00 0.54 N ATOM 1130 CA ASN A 141 12.477 -8.684 0.150 1.00 0.54 C ATOM 1131 C ASN A 141 11.473 -7.735 -0.490 1.00 0.42 C ATOM 1132 O ASN A 141 11.027 -6.772 0.131 1.00 0.42 O ATOM 1133 CB ASN A 141 13.134 -8.006 1.356 1.00 0.69 C ATOM 1134 CG ASN A 141 13.960 -8.964 2.192 1.00 0.82 C ATOM 1135 OD1 ASN A 141 13.677 -10.160 2.252 1.00 1.10 O ATOM 1136 ND2 ASN A 141 14.984 -8.442 2.850 1.00 1.02 N ATOM 0 H ASN A 141 14.132 -8.367 -1.099 1.00 0.54 H new ATOM 0 HA ASN A 141 11.956 -9.577 0.495 1.00 0.54 H new ATOM 0 HB2 ASN A 141 13.771 -7.193 1.007 1.00 0.69 H new ATOM 0 HB3 ASN A 141 12.361 -7.559 1.981 1.00 0.69 H new ATOM 0 HD21 ASN A 141 15.572 -9.037 3.434 1.00 1.02 H new ATOM 0 HD22 ASN A 141 15.185 -7.445 2.773 1.00 1.02 H new ATOM 1143 N SER A 142 11.118 -8.017 -1.735 1.00 0.36 N ATOM 1144 CA SER A 142 10.220 -7.153 -2.488 1.00 0.31 C ATOM 1145 C SER A 142 8.755 -7.480 -2.199 1.00 0.26 C ATOM 1146 O SER A 142 7.860 -6.728 -2.586 1.00 0.26 O ATOM 1147 CB SER A 142 10.512 -7.285 -3.984 1.00 0.37 C ATOM 1148 OG SER A 142 10.602 -8.650 -4.364 1.00 1.23 O ATOM 0 H SER A 142 11.439 -8.839 -2.246 1.00 0.36 H new ATOM 0 HA SER A 142 10.394 -6.123 -2.175 1.00 0.31 H new ATOM 0 HB2 SER A 142 9.725 -6.795 -4.557 1.00 0.37 H new ATOM 0 HB3 SER A 142 11.445 -6.775 -4.223 1.00 0.37 H new ATOM 0 HG SER A 142 11.542 -8.928 -4.364 1.00 1.23 H new ATOM 1154 N THR A 143 8.506 -8.600 -1.525 1.00 0.30 N ATOM 1155 CA THR A 143 7.146 -8.975 -1.168 1.00 0.31 C ATOM 1156 C THR A 143 6.706 -8.219 0.078 1.00 0.25 C ATOM 1157 O THR A 143 7.091 -8.551 1.199 1.00 0.34 O ATOM 1158 CB THR A 143 7.004 -10.493 -0.940 1.00 0.41 C ATOM 1159 OG1 THR A 143 7.501 -11.203 -2.084 1.00 0.48 O ATOM 1160 CG2 THR A 143 5.547 -10.873 -0.702 1.00 0.45 C ATOM 0 H THR A 143 9.223 -9.257 -1.218 1.00 0.30 H new ATOM 0 HA THR A 143 6.503 -8.707 -2.006 1.00 0.31 H new ATOM 0 HB THR A 143 7.583 -10.763 -0.057 1.00 0.41 H new ATOM 0 HG1 THR A 143 7.411 -12.167 -1.935 1.00 0.48 H new ATOM 0 HG21 THR A 143 5.473 -11.949 -0.544 1.00 0.45 H new ATOM 0 HG22 THR A 143 5.174 -10.350 0.179 1.00 0.45 H new ATOM 0 HG23 THR A 143 4.951 -10.592 -1.570 1.00 0.45 H new ATOM 1168 N ILE A 144 5.909 -7.192 -0.135 1.00 0.20 N ATOM 1169 CA ILE A 144 5.456 -6.335 0.941 1.00 0.18 C ATOM 1170 C ILE A 144 4.047 -6.729 1.355 1.00 0.18 C ATOM 1171 O ILE A 144 3.235 -7.099 0.515 1.00 0.24 O ATOM 1172 CB ILE A 144 5.447 -4.856 0.500 1.00 0.21 C ATOM 1173 CG1 ILE A 144 6.733 -4.502 -0.256 1.00 0.22 C ATOM 1174 CG2 ILE A 144 5.288 -3.946 1.710 1.00 0.27 C ATOM 1175 CD1 ILE A 144 7.992 -4.636 0.576 1.00 0.25 C ATOM 0 H ILE A 144 5.558 -6.929 -1.056 1.00 0.20 H new ATOM 0 HA ILE A 144 6.143 -6.454 1.779 1.00 0.18 H new ATOM 0 HB ILE A 144 4.601 -4.708 -0.171 1.00 0.21 H new ATOM 0 HG12 ILE A 144 6.817 -5.147 -1.131 1.00 0.22 H new ATOM 0 HG13 ILE A 144 6.658 -3.478 -0.621 1.00 0.22 H new ATOM 0 HG21 ILE A 144 5.283 -2.906 1.385 1.00 0.27 H new ATOM 0 HG22 ILE A 144 4.349 -4.173 2.215 1.00 0.27 H new ATOM 0 HG23 ILE A 144 6.118 -4.107 2.398 1.00 0.27 H new ATOM 0 HD11 ILE A 144 8.858 -4.368 -0.029 1.00 0.25 H new ATOM 0 HD12 ILE A 144 7.931 -3.971 1.437 1.00 0.25 H new ATOM 0 HD13 ILE A 144 8.093 -5.666 0.919 1.00 0.25 H new ATOM 1187 N THR A 145 3.761 -6.659 2.640 1.00 0.14 N ATOM 1188 CA THR A 145 2.426 -6.957 3.129 1.00 0.14 C ATOM 1189 C THR A 145 1.554 -5.708 3.064 1.00 0.14 C ATOM 1190 O THR A 145 1.748 -4.783 3.843 1.00 0.19 O ATOM 1191 CB THR A 145 2.477 -7.447 4.585 1.00 0.17 C ATOM 1192 OG1 THR A 145 3.521 -8.420 4.734 1.00 0.21 O ATOM 1193 CG2 THR A 145 1.146 -8.057 5.003 1.00 0.19 C ATOM 0 H THR A 145 4.431 -6.399 3.364 1.00 0.14 H new ATOM 0 HA THR A 145 2.004 -7.740 2.499 1.00 0.14 H new ATOM 0 HB THR A 145 2.680 -6.590 5.227 1.00 0.17 H new ATOM 0 HG1 THR A 145 3.551 -8.728 5.664 1.00 0.21 H new ATOM 0 HG21 THR A 145 1.210 -8.395 6.037 1.00 0.19 H new ATOM 0 HG22 THR A 145 0.359 -7.308 4.914 1.00 0.19 H new ATOM 0 HG23 THR A 145 0.915 -8.904 4.357 1.00 0.19 H new ATOM 1201 N VAL A 146 0.610 -5.662 2.138 1.00 0.14 N ATOM 1202 CA VAL A 146 -0.252 -4.499 2.039 1.00 0.15 C ATOM 1203 C VAL A 146 -1.630 -4.796 2.621 1.00 0.15 C ATOM 1204 O VAL A 146 -2.346 -5.703 2.186 1.00 0.19 O ATOM 1205 CB VAL A 146 -0.357 -3.949 0.591 1.00 0.15 C ATOM 1206 CG1 VAL A 146 -1.106 -4.887 -0.332 1.00 0.16 C ATOM 1207 CG2 VAL A 146 -0.998 -2.573 0.590 1.00 0.20 C ATOM 0 H VAL A 146 0.424 -6.400 1.458 1.00 0.14 H new ATOM 0 HA VAL A 146 0.211 -3.710 2.632 1.00 0.15 H new ATOM 0 HB VAL A 146 0.659 -3.869 0.205 1.00 0.15 H new ATOM 0 HG11 VAL A 146 -1.151 -4.455 -1.332 1.00 0.16 H new ATOM 0 HG12 VAL A 146 -0.589 -5.846 -0.374 1.00 0.16 H new ATOM 0 HG13 VAL A 146 -2.118 -5.037 0.044 1.00 0.16 H new ATOM 0 HG21 VAL A 146 -1.064 -2.203 -0.433 1.00 0.20 H new ATOM 0 HG22 VAL A 146 -1.999 -2.637 1.017 1.00 0.20 H new ATOM 0 HG23 VAL A 146 -0.393 -1.889 1.185 1.00 0.20 H new ATOM 1217 N MET A 147 -1.967 -4.051 3.654 1.00 0.17 N ATOM 1218 CA MET A 147 -3.242 -4.193 4.324 1.00 0.18 C ATOM 1219 C MET A 147 -4.152 -3.034 3.951 1.00 0.15 C ATOM 1220 O MET A 147 -3.934 -1.897 4.370 1.00 0.19 O ATOM 1221 CB MET A 147 -3.032 -4.260 5.838 1.00 0.24 C ATOM 1222 CG MET A 147 -2.210 -5.462 6.272 1.00 0.26 C ATOM 1223 SD MET A 147 -2.074 -5.618 8.063 1.00 0.95 S ATOM 1224 CE MET A 147 -1.193 -7.173 8.189 1.00 1.62 C ATOM 0 H MET A 147 -1.365 -3.331 4.052 1.00 0.17 H new ATOM 0 HA MET A 147 -3.718 -5.120 4.005 1.00 0.18 H new ATOM 0 HB2 MET A 147 -2.536 -3.348 6.171 1.00 0.24 H new ATOM 0 HB3 MET A 147 -4.003 -4.293 6.333 1.00 0.24 H new ATOM 0 HG2 MET A 147 -2.661 -6.368 5.868 1.00 0.26 H new ATOM 0 HG3 MET A 147 -1.211 -5.385 5.843 1.00 0.26 H new ATOM 0 HE1 MET A 147 -0.737 -7.254 9.176 1.00 1.62 H new ATOM 0 HE2 MET A 147 -1.889 -7.999 8.043 1.00 1.62 H new ATOM 0 HE3 MET A 147 -0.416 -7.214 7.426 1.00 1.62 H new ATOM 1234 N ILE A 148 -5.154 -3.328 3.135 1.00 0.12 N ATOM 1235 CA ILE A 148 -6.080 -2.315 2.653 1.00 0.09 C ATOM 1236 C ILE A 148 -7.513 -2.752 2.881 1.00 0.10 C ATOM 1237 O ILE A 148 -7.836 -3.928 2.704 1.00 0.14 O ATOM 1238 CB ILE A 148 -5.918 -2.063 1.142 1.00 0.11 C ATOM 1239 CG1 ILE A 148 -4.498 -1.626 0.812 1.00 0.12 C ATOM 1240 CG2 ILE A 148 -6.924 -1.022 0.681 1.00 0.19 C ATOM 1241 CD1 ILE A 148 -4.259 -1.420 -0.669 1.00 0.14 C ATOM 0 H ILE A 148 -5.347 -4.269 2.791 1.00 0.12 H new ATOM 0 HA ILE A 148 -5.854 -1.404 3.207 1.00 0.09 H new ATOM 0 HB ILE A 148 -6.109 -2.995 0.611 1.00 0.11 H new ATOM 0 HG12 ILE A 148 -4.280 -0.698 1.340 1.00 0.12 H new ATOM 0 HG13 ILE A 148 -3.800 -2.376 1.184 1.00 0.12 H new ATOM 0 HG21 ILE A 148 -6.804 -0.849 -0.388 1.00 0.19 H new ATOM 0 HG22 ILE A 148 -7.934 -1.380 0.879 1.00 0.19 H new ATOM 0 HG23 ILE A 148 -6.756 -0.090 1.221 1.00 0.19 H new ATOM 0 HD11 ILE A 148 -3.227 -1.110 -0.831 1.00 0.14 H new ATOM 0 HD12 ILE A 148 -4.445 -2.353 -1.201 1.00 0.14 H new ATOM 0 HD13 ILE A 148 -4.933 -0.649 -1.042 1.00 0.14 H new ATOM 1253 N LYS A 149 -8.369 -1.811 3.246 1.00 0.12 N ATOM 1254 CA LYS A 149 -9.796 -2.088 3.336 1.00 0.16 C ATOM 1255 C LYS A 149 -10.588 -0.991 2.639 1.00 0.22 C ATOM 1256 O LYS A 149 -10.853 0.061 3.221 1.00 0.34 O ATOM 1257 CB LYS A 149 -10.233 -2.228 4.794 1.00 0.22 C ATOM 1258 CG LYS A 149 -9.587 -3.408 5.490 1.00 0.35 C ATOM 1259 CD LYS A 149 -10.036 -4.733 4.887 1.00 0.66 C ATOM 1260 CE LYS A 149 -9.395 -5.917 5.595 1.00 0.76 C ATOM 1261 NZ LYS A 149 -9.939 -6.110 6.965 1.00 1.18 N ATOM 0 H LYS A 149 -8.105 -0.855 3.483 1.00 0.12 H new ATOM 0 HA LYS A 149 -9.997 -3.035 2.834 1.00 0.16 H new ATOM 0 HB2 LYS A 149 -9.984 -1.314 5.332 1.00 0.22 H new ATOM 0 HB3 LYS A 149 -11.317 -2.337 4.835 1.00 0.22 H new ATOM 0 HG2 LYS A 149 -8.503 -3.324 5.418 1.00 0.35 H new ATOM 0 HG3 LYS A 149 -9.838 -3.387 6.550 1.00 0.35 H new ATOM 0 HD2 LYS A 149 -11.121 -4.814 4.952 1.00 0.66 H new ATOM 0 HD3 LYS A 149 -9.777 -4.758 3.828 1.00 0.66 H new ATOM 0 HE2 LYS A 149 -9.559 -6.821 5.009 1.00 0.76 H new ATOM 0 HE3 LYS A 149 -8.317 -5.765 5.651 1.00 0.76 H new ATOM 0 HZ1 LYS A 149 -9.538 -6.975 7.379 1.00 1.18 H new ATOM 0 HZ2 LYS A 149 -9.686 -5.293 7.557 1.00 1.18 H new ATOM 0 HZ3 LYS A 149 -10.974 -6.197 6.918 1.00 1.18 H new ATOM 1275 N PRO A 150 -10.953 -1.223 1.367 1.00 0.23 N ATOM 1276 CA PRO A 150 -11.691 -0.253 0.551 1.00 0.30 C ATOM 1277 C PRO A 150 -13.103 -0.014 1.070 1.00 0.45 C ATOM 1278 O PRO A 150 -14.004 -0.826 0.849 1.00 0.78 O ATOM 1279 CB PRO A 150 -11.741 -0.897 -0.842 1.00 0.47 C ATOM 1280 CG PRO A 150 -10.741 -2.001 -0.805 1.00 0.44 C ATOM 1281 CD PRO A 150 -10.678 -2.456 0.620 1.00 0.29 C ATOM 0 HA PRO A 150 -11.208 0.724 0.562 1.00 0.30 H new ATOM 0 HB2 PRO A 150 -12.738 -1.278 -1.063 1.00 0.47 H new ATOM 0 HB3 PRO A 150 -11.497 -0.172 -1.619 1.00 0.47 H new ATOM 0 HG2 PRO A 150 -11.038 -2.818 -1.462 1.00 0.44 H new ATOM 0 HG3 PRO A 150 -9.766 -1.655 -1.147 1.00 0.44 H new ATOM 0 HD2 PRO A 150 -11.416 -3.230 0.831 1.00 0.29 H new ATOM 0 HD3 PRO A 150 -9.701 -2.871 0.869 1.00 0.29 H new