USER MOD reduce.3.24.130724 H: found=0, std=0, add=913, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 914 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 38 THR OG1 : rot 180:sc= 0.649 USER MOD Set 1.2: A 41 SER OG : rot 85:sc= 1.04 USER MOD Single : A 9 THR OG1 : rot -49:sc= -0.0607 USER MOD Single : A 11 LYS NZ :NH3+ 161:sc= -0.11 (180deg=-0.807) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.469 X(o=-0.47,f=-0.16) USER MOD Single : A 21 GLN : amide:sc= -0.211 K(o=-0.21,f=-2.7!) USER MOD Single : A 27 GLN : amide:sc=-0.00132 K(o=-0.0013,f=-1.3) USER MOD Single : A 28 GLN : amide:sc= -0.259 K(o=-0.26,f=-1.9!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.0721 USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 ASN : amide:sc= -1.54 K(o=-1.5,f=-3.5!) USER MOD Single : A 45 TYR OH : rot 180:sc= 0.262 USER MOD Single : A 51 LYS NZ :NH3+ -126:sc= 1.49 (180deg=-0.59) USER MOD Single : A 52 SER OG : rot 150:sc= 0.00885 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -0.012 X(o=-0.012,f=-0.25) USER MOD Single : A 63 LYS NZ :NH3+ -161:sc= -0.287 (180deg=-1.14) USER MOD Single : A 66 THR OG1 : rot 84:sc= 1.17 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot -77:sc= 0.596 USER MOD Single : A 79 CYS SG : rot 89:sc= 0.9 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 80:sc= 1.2 USER MOD Single : A 87 CYS SG : rot 86:sc= -0.476 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ -144:sc= 0.468 (180deg=0.135) USER MOD Single : A 93 TYR OH : rot 180:sc= -1.13 USER MOD Single : A 94 SER OG : rot 83:sc= 0.12 USER MOD Single : A 95 MET CE :methyl -147:sc= -0.224 (180deg=-1.28) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 GLN :FLIP amide:sc= -2.23! C(o=-2.9!,f=-2.2!) USER MOD Single : A 117 LYS NZ :NH3+ -170:sc= -0.459 (180deg=-0.547) USER MOD Single : A 118 SER OG : rot -45:sc= 0.758 USER MOD Single : A 119 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 GLN : amide:sc= -1.03! K(o=-1!,f=-2.1) USER MOD ----------------------------------------------------------------- ATOM 128 N PRO A 8 8.479 6.086 -5.961 1.00 0.67 N ATOM 129 CA PRO A 8 8.080 5.516 -7.264 1.00 0.58 C ATOM 130 C PRO A 8 6.594 5.785 -7.530 1.00 0.52 C ATOM 131 O PRO A 8 5.928 6.464 -6.774 1.00 0.58 O ATOM 132 CB PRO A 8 8.369 4.000 -7.149 1.00 0.62 C ATOM 133 CG PRO A 8 9.048 3.759 -5.772 1.00 0.71 C ATOM 134 CD PRO A 8 9.030 5.098 -5.002 1.00 0.75 C ATOM 0 HA PRO A 8 8.625 5.961 -8.097 1.00 0.58 H new ATOM 0 HB2 PRO A 8 7.445 3.426 -7.227 1.00 0.62 H new ATOM 0 HB3 PRO A 8 9.018 3.671 -7.960 1.00 0.62 H new ATOM 0 HG2 PRO A 8 8.517 2.989 -5.213 1.00 0.71 H new ATOM 0 HG3 PRO A 8 10.071 3.408 -5.906 1.00 0.71 H new ATOM 0 HD2 PRO A 8 8.412 5.030 -4.107 1.00 0.75 H new ATOM 0 HD3 PRO A 8 10.032 5.380 -4.677 1.00 0.75 H new ATOM 142 N THR A 9 6.072 5.241 -8.597 1.00 0.48 N ATOM 143 CA THR A 9 4.629 5.441 -8.916 1.00 0.46 C ATOM 144 C THR A 9 3.845 4.247 -8.394 1.00 0.43 C ATOM 145 O THR A 9 4.411 3.259 -7.971 1.00 0.44 O ATOM 146 CB THR A 9 4.434 5.530 -10.432 1.00 0.47 C ATOM 147 OG1 THR A 9 4.354 4.219 -10.973 1.00 0.72 O ATOM 148 CG2 THR A 9 5.610 6.265 -11.063 1.00 0.73 C ATOM 0 H THR A 9 6.585 4.665 -9.264 1.00 0.48 H new ATOM 0 HA THR A 9 4.281 6.364 -8.452 1.00 0.46 H new ATOM 0 HB THR A 9 3.514 6.074 -10.645 1.00 0.47 H new ATOM 0 HG1 THR A 9 5.102 3.681 -10.639 1.00 0.72 H new ATOM 0 HG21 THR A 9 5.465 6.325 -12.142 1.00 0.73 H new ATOM 0 HG22 THR A 9 5.675 7.271 -10.649 1.00 0.73 H new ATOM 0 HG23 THR A 9 6.533 5.725 -10.850 1.00 0.73 H new ATOM 156 N LEU A 10 2.549 4.316 -8.444 1.00 0.41 N ATOM 157 CA LEU A 10 1.744 3.163 -7.976 1.00 0.40 C ATOM 158 C LEU A 10 1.850 2.047 -9.009 1.00 0.39 C ATOM 159 O LEU A 10 1.656 0.889 -8.705 1.00 0.39 O ATOM 160 CB LEU A 10 0.275 3.560 -7.798 1.00 0.41 C ATOM 161 CG LEU A 10 -0.565 2.319 -7.439 1.00 0.37 C ATOM 162 CD1 LEU A 10 0.030 1.597 -6.218 1.00 0.41 C ATOM 163 CD2 LEU A 10 -1.988 2.758 -7.108 1.00 0.41 C ATOM 0 H LEU A 10 2.016 5.115 -8.786 1.00 0.41 H new ATOM 0 HA LEU A 10 2.125 2.828 -7.011 1.00 0.40 H new ATOM 0 HB2 LEU A 10 0.185 4.310 -7.013 1.00 0.41 H new ATOM 0 HB3 LEU A 10 -0.102 4.012 -8.715 1.00 0.41 H new ATOM 0 HG LEU A 10 -0.564 1.637 -8.289 1.00 0.37 H new ATOM 0 HD11 LEU A 10 -0.577 0.724 -5.980 1.00 0.41 H new ATOM 0 HD12 LEU A 10 1.048 1.281 -6.443 1.00 0.41 H new ATOM 0 HD13 LEU A 10 0.041 2.275 -5.364 1.00 0.41 H new ATOM 0 HD21 LEU A 10 -2.588 1.885 -6.853 1.00 0.41 H new ATOM 0 HD22 LEU A 10 -1.969 3.445 -6.262 1.00 0.41 H new ATOM 0 HD23 LEU A 10 -2.425 3.258 -7.972 1.00 0.41 H new ATOM 175 N LYS A 11 2.152 2.371 -10.237 1.00 0.42 N ATOM 176 CA LYS A 11 2.255 1.309 -11.269 1.00 0.44 C ATOM 177 C LYS A 11 3.424 0.386 -10.942 1.00 0.43 C ATOM 178 O LYS A 11 3.412 -0.784 -11.271 1.00 0.45 O ATOM 179 CB LYS A 11 2.490 1.968 -12.633 1.00 0.49 C ATOM 180 CG LYS A 11 2.809 0.898 -13.691 1.00 0.83 C ATOM 181 CD LYS A 11 2.500 1.436 -15.094 1.00 0.98 C ATOM 182 CE LYS A 11 3.417 2.618 -15.419 1.00 1.64 C ATOM 183 NZ LYS A 11 4.839 2.196 -15.279 1.00 2.31 N ATOM 0 H LYS A 11 2.330 3.320 -10.566 1.00 0.42 H new ATOM 0 HA LYS A 11 1.335 0.725 -11.291 1.00 0.44 H new ATOM 0 HB2 LYS A 11 1.606 2.532 -12.930 1.00 0.49 H new ATOM 0 HB3 LYS A 11 3.313 2.679 -12.565 1.00 0.49 H new ATOM 0 HG2 LYS A 11 3.859 0.612 -13.626 1.00 0.83 H new ATOM 0 HG3 LYS A 11 2.222 -0.000 -13.500 1.00 0.83 H new ATOM 0 HD2 LYS A 11 2.636 0.646 -15.833 1.00 0.98 H new ATOM 0 HD3 LYS A 11 1.457 1.749 -15.150 1.00 0.98 H new ATOM 0 HE2 LYS A 11 3.229 2.970 -16.433 1.00 1.64 H new ATOM 0 HE3 LYS A 11 3.206 3.451 -14.748 1.00 1.64 H new ATOM 0 HZ1 LYS A 11 5.451 2.862 -15.793 1.00 2.31 H new ATOM 0 HZ2 LYS A 11 5.102 2.190 -14.273 1.00 2.31 H new ATOM 0 HZ3 LYS A 11 4.958 1.241 -15.674 1.00 2.31 H new ATOM 197 N ASP A 12 4.447 0.902 -10.324 1.00 0.43 N ATOM 198 CA ASP A 12 5.616 0.039 -10.020 1.00 0.45 C ATOM 199 C ASP A 12 5.137 -1.186 -9.240 1.00 0.44 C ATOM 200 O ASP A 12 5.750 -2.235 -9.266 1.00 0.46 O ATOM 201 CB ASP A 12 6.634 0.818 -9.185 1.00 0.48 C ATOM 202 CG ASP A 12 7.204 1.971 -10.014 1.00 1.16 C ATOM 203 OD1 ASP A 12 7.736 1.702 -11.079 1.00 1.88 O ATOM 204 OD2 ASP A 12 7.099 3.102 -9.570 1.00 1.94 O ATOM 0 H ASP A 12 4.524 1.873 -10.020 1.00 0.43 H new ATOM 0 HA ASP A 12 6.091 -0.277 -10.949 1.00 0.45 H new ATOM 0 HB2 ASP A 12 6.160 1.205 -8.283 1.00 0.48 H new ATOM 0 HB3 ASP A 12 7.438 0.156 -8.863 1.00 0.48 H new ATOM 209 N ALA A 13 4.039 -1.049 -8.531 1.00 0.43 N ATOM 210 CA ALA A 13 3.515 -2.193 -7.731 1.00 0.45 C ATOM 211 C ALA A 13 3.135 -3.349 -8.662 1.00 0.49 C ATOM 212 O ALA A 13 3.208 -4.504 -8.291 1.00 0.57 O ATOM 213 CB ALA A 13 2.278 -1.741 -6.952 1.00 0.44 C ATOM 0 H ALA A 13 3.487 -0.193 -8.475 1.00 0.43 H new ATOM 0 HA ALA A 13 4.285 -2.530 -7.037 1.00 0.45 H new ATOM 0 HB1 ALA A 13 1.892 -2.575 -6.366 1.00 0.44 H new ATOM 0 HB2 ALA A 13 2.547 -0.922 -6.285 1.00 0.44 H new ATOM 0 HB3 ALA A 13 1.512 -1.403 -7.650 1.00 0.44 H new ATOM 219 N TYR A 14 2.722 -3.049 -9.864 1.00 0.54 N ATOM 220 CA TYR A 14 2.329 -4.134 -10.811 1.00 0.60 C ATOM 221 C TYR A 14 3.581 -4.789 -11.403 1.00 0.67 C ATOM 222 O TYR A 14 3.519 -5.432 -12.432 1.00 1.15 O ATOM 223 CB TYR A 14 1.486 -3.542 -11.947 1.00 0.61 C ATOM 224 CG TYR A 14 0.102 -3.203 -11.438 1.00 0.58 C ATOM 225 CD1 TYR A 14 -0.087 -2.084 -10.619 1.00 1.32 C ATOM 226 CD2 TYR A 14 -0.994 -4.004 -11.791 1.00 1.37 C ATOM 227 CE1 TYR A 14 -1.368 -1.764 -10.152 1.00 1.33 C ATOM 228 CE2 TYR A 14 -2.274 -3.684 -11.324 1.00 1.41 C ATOM 229 CZ TYR A 14 -2.461 -2.564 -10.505 1.00 0.70 C ATOM 230 OH TYR A 14 -3.724 -2.248 -10.045 1.00 0.82 O ATOM 0 H TYR A 14 2.640 -2.101 -10.231 1.00 0.54 H new ATOM 0 HA TYR A 14 1.749 -4.883 -10.272 1.00 0.60 H new ATOM 0 HB2 TYR A 14 1.968 -2.647 -12.341 1.00 0.61 H new ATOM 0 HB3 TYR A 14 1.416 -4.254 -12.769 1.00 0.61 H new ATOM 0 HD1 TYR A 14 0.756 -1.466 -10.347 1.00 1.32 H new ATOM 0 HD2 TYR A 14 -0.850 -4.868 -12.423 1.00 1.37 H new ATOM 0 HE1 TYR A 14 -1.512 -0.900 -9.520 1.00 1.33 H new ATOM 0 HE2 TYR A 14 -3.118 -4.301 -11.595 1.00 1.41 H new ATOM 0 HH TYR A 14 -4.369 -2.904 -10.383 1.00 0.82 H new ATOM 240 N GLU A 15 4.718 -4.611 -10.773 1.00 0.57 N ATOM 241 CA GLU A 15 5.995 -5.203 -11.296 1.00 0.60 C ATOM 242 C GLU A 15 6.511 -6.285 -10.314 1.00 0.53 C ATOM 243 O GLU A 15 7.215 -5.960 -9.380 1.00 0.57 O ATOM 244 CB GLU A 15 7.036 -4.078 -11.406 1.00 0.68 C ATOM 245 CG GLU A 15 8.147 -4.490 -12.375 1.00 0.89 C ATOM 246 CD GLU A 15 7.608 -4.475 -13.807 1.00 1.59 C ATOM 247 OE1 GLU A 15 6.972 -3.498 -14.169 1.00 2.12 O ATOM 248 OE2 GLU A 15 7.838 -5.440 -14.516 1.00 2.32 O ATOM 0 H GLU A 15 4.819 -4.076 -9.910 1.00 0.57 H new ATOM 0 HA GLU A 15 5.824 -5.661 -12.270 1.00 0.60 H new ATOM 0 HB2 GLU A 15 6.559 -3.162 -11.754 1.00 0.68 H new ATOM 0 HB3 GLU A 15 7.458 -3.864 -10.424 1.00 0.68 H new ATOM 0 HG2 GLU A 15 8.993 -3.808 -12.286 1.00 0.89 H new ATOM 0 HG3 GLU A 15 8.513 -5.485 -12.123 1.00 0.89 H new ATOM 255 N PRO A 16 6.147 -7.539 -10.526 1.00 0.51 N ATOM 256 CA PRO A 16 6.578 -8.630 -9.627 1.00 0.48 C ATOM 257 C PRO A 16 8.113 -8.760 -9.571 1.00 0.51 C ATOM 258 O PRO A 16 8.843 -8.227 -10.383 1.00 0.76 O ATOM 259 CB PRO A 16 5.932 -9.912 -10.212 1.00 0.53 C ATOM 260 CG PRO A 16 5.042 -9.481 -11.409 1.00 0.64 C ATOM 261 CD PRO A 16 5.292 -7.978 -11.653 1.00 0.60 C ATOM 0 HA PRO A 16 6.267 -8.443 -8.599 1.00 0.48 H new ATOM 0 HB2 PRO A 16 6.700 -10.614 -10.538 1.00 0.53 H new ATOM 0 HB3 PRO A 16 5.336 -10.421 -9.455 1.00 0.53 H new ATOM 0 HG2 PRO A 16 5.289 -10.060 -12.299 1.00 0.64 H new ATOM 0 HG3 PRO A 16 3.990 -9.665 -11.191 1.00 0.64 H new ATOM 0 HD2 PRO A 16 5.786 -7.811 -12.610 1.00 0.60 H new ATOM 0 HD3 PRO A 16 4.355 -7.422 -11.677 1.00 0.60 H new ATOM 269 N LEU A 17 8.568 -9.485 -8.587 1.00 0.63 N ATOM 270 CA LEU A 17 10.022 -9.734 -8.357 1.00 0.74 C ATOM 271 C LEU A 17 10.334 -11.219 -8.561 1.00 0.79 C ATOM 272 O LEU A 17 9.477 -12.071 -8.430 1.00 1.03 O ATOM 273 CB LEU A 17 10.342 -9.364 -6.902 1.00 0.79 C ATOM 274 CG LEU A 17 10.178 -7.848 -6.705 1.00 1.26 C ATOM 275 CD1 LEU A 17 10.397 -7.508 -5.229 1.00 1.12 C ATOM 276 CD2 LEU A 17 11.200 -7.077 -7.570 1.00 2.28 C ATOM 0 H LEU A 17 7.963 -9.936 -7.901 1.00 0.63 H new ATOM 0 HA LEU A 17 10.614 -9.141 -9.054 1.00 0.74 H new ATOM 0 HB2 LEU A 17 9.678 -9.902 -6.225 1.00 0.79 H new ATOM 0 HB3 LEU A 17 11.360 -9.664 -6.656 1.00 0.79 H new ATOM 0 HG LEU A 17 9.173 -7.556 -7.010 1.00 1.26 H new ATOM 0 HD11 LEU A 17 10.282 -6.434 -5.082 1.00 1.12 H new ATOM 0 HD12 LEU A 17 9.664 -8.038 -4.621 1.00 1.12 H new ATOM 0 HD13 LEU A 17 11.401 -7.810 -4.931 1.00 1.12 H new ATOM 0 HD21 LEU A 17 11.070 -6.005 -7.418 1.00 2.28 H new ATOM 0 HD22 LEU A 17 12.211 -7.364 -7.281 1.00 2.28 H new ATOM 0 HD23 LEU A 17 11.041 -7.317 -8.621 1.00 2.28 H new ATOM 288 N TYR A 18 11.567 -11.529 -8.876 1.00 0.78 N ATOM 289 CA TYR A 18 11.970 -12.955 -9.090 1.00 0.88 C ATOM 290 C TYR A 18 12.322 -13.564 -7.715 1.00 0.76 C ATOM 291 O TYR A 18 12.595 -12.826 -6.789 1.00 0.63 O ATOM 292 CB TYR A 18 13.198 -13.000 -10.039 1.00 1.09 C ATOM 293 CG TYR A 18 13.279 -11.717 -10.838 1.00 0.78 C ATOM 294 CD1 TYR A 18 12.142 -11.235 -11.496 1.00 1.46 C ATOM 295 CD2 TYR A 18 14.487 -11.013 -10.922 1.00 1.41 C ATOM 296 CE1 TYR A 18 12.212 -10.050 -12.237 1.00 1.64 C ATOM 297 CE2 TYR A 18 14.557 -9.828 -11.662 1.00 1.67 C ATOM 298 CZ TYR A 18 13.419 -9.347 -12.320 1.00 1.40 C ATOM 299 OH TYR A 18 13.488 -8.179 -13.049 1.00 1.95 O ATOM 0 H TYR A 18 12.319 -10.850 -8.995 1.00 0.78 H new ATOM 0 HA TYR A 18 11.161 -13.526 -9.545 1.00 0.88 H new ATOM 0 HB2 TYR A 18 14.111 -13.136 -9.460 1.00 1.09 H new ATOM 0 HB3 TYR A 18 13.117 -13.853 -10.712 1.00 1.09 H new ATOM 0 HD1 TYR A 18 11.210 -11.778 -11.432 1.00 1.46 H new ATOM 0 HD2 TYR A 18 15.365 -11.385 -10.415 1.00 1.41 H new ATOM 0 HE1 TYR A 18 11.334 -9.678 -12.745 1.00 1.64 H new ATOM 0 HE2 TYR A 18 15.488 -9.285 -11.726 1.00 1.67 H new ATOM 0 HH TYR A 18 14.398 -7.817 -13.002 1.00 1.95 H new ATOM 309 N PRO A 19 12.311 -14.880 -7.598 1.00 0.88 N ATOM 310 CA PRO A 19 12.635 -15.532 -6.312 1.00 0.87 C ATOM 311 C PRO A 19 14.045 -15.124 -5.854 1.00 0.80 C ATOM 312 O PRO A 19 14.336 -15.076 -4.676 1.00 0.77 O ATOM 313 CB PRO A 19 12.551 -17.051 -6.601 1.00 1.11 C ATOM 314 CG PRO A 19 12.171 -17.223 -8.100 1.00 1.24 C ATOM 315 CD PRO A 19 11.986 -15.812 -8.702 1.00 1.09 C ATOM 0 HA PRO A 19 11.955 -15.242 -5.511 1.00 0.87 H new ATOM 0 HB2 PRO A 19 13.505 -17.535 -6.390 1.00 1.11 H new ATOM 0 HB3 PRO A 19 11.806 -17.522 -5.960 1.00 1.11 H new ATOM 0 HG2 PRO A 19 12.951 -17.767 -8.632 1.00 1.24 H new ATOM 0 HG3 PRO A 19 11.254 -17.804 -8.198 1.00 1.24 H new ATOM 0 HD2 PRO A 19 12.645 -15.658 -9.556 1.00 1.09 H new ATOM 0 HD3 PRO A 19 10.966 -15.664 -9.056 1.00 1.09 H new ATOM 323 N GLN A 20 14.920 -14.841 -6.780 1.00 0.80 N ATOM 324 CA GLN A 20 16.306 -14.450 -6.394 1.00 0.77 C ATOM 325 C GLN A 20 16.302 -13.031 -5.814 1.00 0.68 C ATOM 326 O GLN A 20 16.927 -12.762 -4.807 1.00 0.67 O ATOM 327 CB GLN A 20 17.219 -14.504 -7.626 1.00 0.85 C ATOM 328 CG GLN A 20 17.587 -15.959 -7.934 1.00 1.41 C ATOM 329 CD GLN A 20 18.627 -16.451 -6.925 1.00 1.86 C ATOM 330 OE1 GLN A 20 19.812 -16.254 -7.111 1.00 2.60 O ATOM 331 NE2 GLN A 20 18.232 -17.088 -5.856 1.00 2.30 N ATOM 0 H GLN A 20 14.737 -14.863 -7.783 1.00 0.80 H new ATOM 0 HA GLN A 20 16.678 -15.143 -5.640 1.00 0.77 H new ATOM 0 HB2 GLN A 20 16.716 -14.057 -8.483 1.00 0.85 H new ATOM 0 HB3 GLN A 20 18.122 -13.921 -7.447 1.00 0.85 H new ATOM 0 HG2 GLN A 20 16.697 -16.587 -7.889 1.00 1.41 H new ATOM 0 HG3 GLN A 20 17.982 -16.038 -8.947 1.00 1.41 H new ATOM 0 HE21 GLN A 20 17.238 -17.254 -5.699 1.00 2.30 H new ATOM 0 HE22 GLN A 20 18.918 -17.420 -5.178 1.00 2.30 H new ATOM 340 N GLN A 21 15.608 -12.121 -6.441 1.00 0.64 N ATOM 341 CA GLN A 21 15.571 -10.720 -5.925 1.00 0.59 C ATOM 342 C GLN A 21 15.031 -10.711 -4.492 1.00 0.50 C ATOM 343 O GLN A 21 15.536 -10.016 -3.633 1.00 0.47 O ATOM 344 CB GLN A 21 14.658 -9.872 -6.826 1.00 0.64 C ATOM 345 CG GLN A 21 15.428 -9.424 -8.074 1.00 1.02 C ATOM 346 CD GLN A 21 16.364 -8.268 -7.714 1.00 1.57 C ATOM 347 OE1 GLN A 21 16.501 -7.920 -6.558 1.00 2.34 O ATOM 348 NE2 GLN A 21 17.018 -7.653 -8.661 1.00 1.94 N ATOM 0 H GLN A 21 15.065 -12.285 -7.288 1.00 0.64 H new ATOM 0 HA GLN A 21 16.578 -10.304 -5.930 1.00 0.59 H new ATOM 0 HB2 GLN A 21 13.781 -10.450 -7.117 1.00 0.64 H new ATOM 0 HB3 GLN A 21 14.298 -9.001 -6.278 1.00 0.64 H new ATOM 0 HG2 GLN A 21 16.002 -10.258 -8.478 1.00 1.02 H new ATOM 0 HG3 GLN A 21 14.730 -9.112 -8.851 1.00 1.02 H new ATOM 0 HE21 GLN A 21 16.904 -7.944 -9.632 1.00 1.94 H new ATOM 0 HE22 GLN A 21 17.643 -6.881 -8.430 1.00 1.94 H new ATOM 357 N LEU A 22 14.005 -11.471 -4.229 1.00 0.52 N ATOM 358 CA LEU A 22 13.432 -11.496 -2.857 1.00 0.46 C ATOM 359 C LEU A 22 14.383 -12.234 -1.912 1.00 0.42 C ATOM 360 O LEU A 22 14.529 -11.870 -0.761 1.00 0.40 O ATOM 361 CB LEU A 22 12.079 -12.213 -2.898 1.00 0.52 C ATOM 362 CG LEU A 22 11.380 -12.128 -1.530 1.00 0.59 C ATOM 363 CD1 LEU A 22 10.857 -10.704 -1.276 1.00 0.52 C ATOM 364 CD2 LEU A 22 10.207 -13.111 -1.518 1.00 0.93 C ATOM 0 H LEU A 22 13.539 -12.076 -4.906 1.00 0.52 H new ATOM 0 HA LEU A 22 13.297 -10.477 -2.495 1.00 0.46 H new ATOM 0 HB2 LEU A 22 11.447 -11.764 -3.664 1.00 0.52 H new ATOM 0 HB3 LEU A 22 12.223 -13.257 -3.175 1.00 0.52 H new ATOM 0 HG LEU A 22 12.094 -12.378 -0.746 1.00 0.59 H new ATOM 0 HD11 LEU A 22 10.366 -10.665 -0.304 1.00 0.52 H new ATOM 0 HD12 LEU A 22 11.691 -10.002 -1.290 1.00 0.52 H new ATOM 0 HD13 LEU A 22 10.143 -10.434 -2.054 1.00 0.52 H new ATOM 0 HD21 LEU A 22 9.701 -13.062 -0.554 1.00 0.93 H new ATOM 0 HD22 LEU A 22 9.505 -12.849 -2.310 1.00 0.93 H new ATOM 0 HD23 LEU A 22 10.578 -14.123 -1.682 1.00 0.93 H new ATOM 376 N GLU A 23 15.024 -13.274 -2.373 1.00 0.44 N ATOM 377 CA GLU A 23 15.946 -14.023 -1.472 1.00 0.42 C ATOM 378 C GLU A 23 17.207 -13.188 -1.237 1.00 0.38 C ATOM 379 O GLU A 23 17.836 -13.272 -0.202 1.00 0.37 O ATOM 380 CB GLU A 23 16.309 -15.367 -2.107 1.00 0.47 C ATOM 381 CG GLU A 23 16.920 -16.290 -1.052 1.00 1.13 C ATOM 382 CD GLU A 23 17.246 -17.643 -1.687 1.00 1.66 C ATOM 383 OE1 GLU A 23 17.534 -17.666 -2.873 1.00 2.28 O ATOM 384 OE2 GLU A 23 17.202 -18.635 -0.977 1.00 2.30 O ATOM 0 H GLU A 23 14.951 -13.634 -3.324 1.00 0.44 H new ATOM 0 HA GLU A 23 15.457 -14.210 -0.516 1.00 0.42 H new ATOM 0 HB2 GLU A 23 15.420 -15.829 -2.536 1.00 0.47 H new ATOM 0 HB3 GLU A 23 17.015 -15.215 -2.923 1.00 0.47 H new ATOM 0 HG2 GLU A 23 17.824 -15.842 -0.641 1.00 1.13 H new ATOM 0 HG3 GLU A 23 16.225 -16.423 -0.223 1.00 1.13 H new ATOM 391 N ILE A 24 17.572 -12.374 -2.190 1.00 0.39 N ATOM 392 CA ILE A 24 18.779 -11.523 -2.023 1.00 0.39 C ATOM 393 C ILE A 24 18.526 -10.542 -0.868 1.00 0.36 C ATOM 394 O ILE A 24 19.316 -10.424 0.044 1.00 0.37 O ATOM 395 CB ILE A 24 19.036 -10.769 -3.343 1.00 0.44 C ATOM 396 CG1 ILE A 24 19.749 -11.705 -4.330 1.00 0.52 C ATOM 397 CG2 ILE A 24 19.911 -9.536 -3.096 1.00 0.48 C ATOM 398 CD1 ILE A 24 19.680 -11.122 -5.744 1.00 0.89 C ATOM 0 H ILE A 24 17.083 -12.263 -3.078 1.00 0.39 H new ATOM 0 HA ILE A 24 19.657 -12.125 -1.788 1.00 0.39 H new ATOM 0 HB ILE A 24 18.080 -10.446 -3.755 1.00 0.44 H new ATOM 0 HG12 ILE A 24 20.789 -11.837 -4.032 1.00 0.52 H new ATOM 0 HG13 ILE A 24 19.284 -12.691 -4.311 1.00 0.52 H new ATOM 0 HG21 ILE A 24 20.082 -9.016 -4.039 1.00 0.48 H new ATOM 0 HG22 ILE A 24 19.408 -8.866 -2.399 1.00 0.48 H new ATOM 0 HG23 ILE A 24 20.867 -9.847 -2.675 1.00 0.48 H new ATOM 0 HD11 ILE A 24 20.188 -11.791 -6.439 1.00 0.89 H new ATOM 0 HD12 ILE A 24 18.637 -11.013 -6.042 1.00 0.89 H new ATOM 0 HD13 ILE A 24 20.166 -10.146 -5.759 1.00 0.89 H new ATOM 410 N LEU A 25 17.426 -9.842 -0.900 1.00 0.34 N ATOM 411 CA LEU A 25 17.127 -8.878 0.200 1.00 0.34 C ATOM 412 C LEU A 25 17.171 -9.614 1.544 1.00 0.32 C ATOM 413 O LEU A 25 17.549 -9.058 2.556 1.00 0.34 O ATOM 414 CB LEU A 25 15.733 -8.277 -0.010 1.00 0.36 C ATOM 415 CG LEU A 25 15.725 -7.385 -1.266 1.00 0.38 C ATOM 416 CD1 LEU A 25 14.285 -7.199 -1.752 1.00 0.44 C ATOM 417 CD2 LEU A 25 16.326 -6.005 -0.950 1.00 0.41 C ATOM 0 H LEU A 25 16.722 -9.894 -1.637 1.00 0.34 H new ATOM 0 HA LEU A 25 17.868 -8.079 0.197 1.00 0.34 H new ATOM 0 HB2 LEU A 25 14.997 -9.074 -0.116 1.00 0.36 H new ATOM 0 HB3 LEU A 25 15.446 -7.691 0.863 1.00 0.36 H new ATOM 0 HG LEU A 25 16.323 -7.868 -2.039 1.00 0.38 H new ATOM 0 HD11 LEU A 25 14.280 -6.568 -2.641 1.00 0.44 H new ATOM 0 HD12 LEU A 25 13.854 -8.171 -1.994 1.00 0.44 H new ATOM 0 HD13 LEU A 25 13.694 -6.726 -0.967 1.00 0.44 H new ATOM 0 HD21 LEU A 25 16.312 -5.388 -1.848 1.00 0.41 H new ATOM 0 HD22 LEU A 25 15.738 -5.522 -0.169 1.00 0.41 H new ATOM 0 HD23 LEU A 25 17.354 -6.125 -0.608 1.00 0.41 H new ATOM 429 N ARG A 26 16.790 -10.864 1.558 1.00 0.31 N ATOM 430 CA ARG A 26 16.809 -11.646 2.829 1.00 0.33 C ATOM 431 C ARG A 26 18.257 -11.899 3.250 1.00 0.31 C ATOM 432 O ARG A 26 18.586 -11.876 4.419 1.00 0.32 O ATOM 433 CB ARG A 26 16.100 -12.988 2.617 1.00 0.38 C ATOM 434 CG ARG A 26 14.586 -12.775 2.612 1.00 0.69 C ATOM 435 CD ARG A 26 13.885 -14.129 2.502 1.00 1.00 C ATOM 436 NE ARG A 26 12.430 -13.959 2.770 1.00 1.36 N ATOM 437 CZ ARG A 26 11.596 -14.905 2.439 1.00 1.86 C ATOM 438 NH1 ARG A 26 12.040 -15.992 1.870 1.00 2.36 N ATOM 439 NH2 ARG A 26 10.320 -14.765 2.674 1.00 2.46 N ATOM 0 H ARG A 26 16.465 -11.379 0.740 1.00 0.31 H new ATOM 0 HA ARG A 26 16.295 -11.082 3.608 1.00 0.33 H new ATOM 0 HB2 ARG A 26 16.418 -13.433 1.674 1.00 0.38 H new ATOM 0 HB3 ARG A 26 16.376 -13.685 3.408 1.00 0.38 H new ATOM 0 HG2 ARG A 26 14.276 -12.265 3.524 1.00 0.69 H new ATOM 0 HG3 ARG A 26 14.300 -12.136 1.777 1.00 0.69 H new ATOM 0 HD2 ARG A 26 14.036 -14.549 1.507 1.00 1.00 H new ATOM 0 HD3 ARG A 26 14.317 -14.833 3.214 1.00 1.00 H new ATOM 0 HE ARG A 26 12.087 -13.106 3.211 1.00 1.36 H new ATOM 0 HH11 ARG A 26 13.037 -16.100 1.685 1.00 2.36 H new ATOM 0 HH12 ARG A 26 11.390 -16.734 1.610 1.00 2.36 H new ATOM 0 HH21 ARG A 26 9.973 -13.914 3.117 1.00 2.46 H new ATOM 0 HH22 ARG A 26 9.669 -15.506 2.414 1.00 2.46 H new ATOM 453 N GLN A 27 19.133 -12.110 2.309 1.00 0.31 N ATOM 454 CA GLN A 27 20.565 -12.327 2.655 1.00 0.32 C ATOM 455 C GLN A 27 21.098 -11.087 3.369 1.00 0.31 C ATOM 456 O GLN A 27 21.825 -11.175 4.337 1.00 0.33 O ATOM 457 CB GLN A 27 21.355 -12.540 1.359 1.00 0.33 C ATOM 458 CG GLN A 27 21.009 -13.918 0.786 1.00 0.99 C ATOM 459 CD GLN A 27 21.751 -14.135 -0.534 1.00 1.48 C ATOM 460 OE1 GLN A 27 22.132 -13.189 -1.195 1.00 2.02 O ATOM 461 NE2 GLN A 27 21.970 -15.353 -0.950 1.00 2.23 N ATOM 0 H GLN A 27 18.919 -12.142 1.312 1.00 0.31 H new ATOM 0 HA GLN A 27 20.668 -13.197 3.303 1.00 0.32 H new ATOM 0 HB2 GLN A 27 21.112 -11.760 0.637 1.00 0.33 H new ATOM 0 HB3 GLN A 27 22.425 -12.471 1.555 1.00 0.33 H new ATOM 0 HG2 GLN A 27 21.282 -14.697 1.499 1.00 0.99 H new ATOM 0 HG3 GLN A 27 19.934 -13.995 0.626 1.00 0.99 H new ATOM 0 HE21 GLN A 27 21.650 -16.147 -0.395 1.00 2.23 H new ATOM 0 HE22 GLN A 27 22.461 -15.511 -1.830 1.00 2.23 H new ATOM 470 N GLN A 28 20.736 -9.927 2.891 1.00 0.30 N ATOM 471 CA GLN A 28 21.213 -8.669 3.530 1.00 0.31 C ATOM 472 C GLN A 28 20.525 -8.488 4.883 1.00 0.30 C ATOM 473 O GLN A 28 21.100 -7.960 5.815 1.00 0.34 O ATOM 474 CB GLN A 28 20.877 -7.481 2.623 1.00 0.33 C ATOM 475 CG GLN A 28 21.626 -6.239 3.108 1.00 1.10 C ATOM 476 CD GLN A 28 23.119 -6.394 2.813 1.00 1.61 C ATOM 477 OE1 GLN A 28 23.500 -7.113 1.910 1.00 2.28 O ATOM 478 NE2 GLN A 28 23.987 -5.747 3.541 1.00 2.28 N ATOM 0 H GLN A 28 20.128 -9.797 2.082 1.00 0.30 H new ATOM 0 HA GLN A 28 22.292 -8.723 3.678 1.00 0.31 H new ATOM 0 HB2 GLN A 28 21.154 -7.707 1.593 1.00 0.33 H new ATOM 0 HB3 GLN A 28 19.803 -7.297 2.631 1.00 0.33 H new ATOM 0 HG2 GLN A 28 21.237 -5.350 2.611 1.00 1.10 H new ATOM 0 HG3 GLN A 28 21.468 -6.101 4.178 1.00 1.10 H new ATOM 0 HE21 GLN A 28 23.668 -5.143 4.299 1.00 2.28 H new ATOM 0 HE22 GLN A 28 24.985 -5.845 3.352 1.00 2.28 H new ATOM 487 N VAL A 29 19.299 -8.922 5.002 1.00 0.27 N ATOM 488 CA VAL A 29 18.590 -8.771 6.305 1.00 0.28 C ATOM 489 C VAL A 29 19.091 -9.845 7.277 1.00 0.30 C ATOM 490 O VAL A 29 19.464 -9.556 8.397 1.00 0.33 O ATOM 491 CB VAL A 29 17.077 -8.912 6.085 1.00 0.27 C ATOM 492 CG1 VAL A 29 16.361 -9.122 7.431 1.00 0.30 C ATOM 493 CG2 VAL A 29 16.549 -7.638 5.414 1.00 0.27 C ATOM 0 H VAL A 29 18.762 -9.371 4.260 1.00 0.27 H new ATOM 0 HA VAL A 29 18.792 -7.786 6.727 1.00 0.28 H new ATOM 0 HB VAL A 29 16.884 -9.775 5.448 1.00 0.27 H new ATOM 0 HG11 VAL A 29 15.289 -9.221 7.261 1.00 0.30 H new ATOM 0 HG12 VAL A 29 16.738 -10.028 7.906 1.00 0.30 H new ATOM 0 HG13 VAL A 29 16.548 -8.267 8.080 1.00 0.30 H new ATOM 0 HG21 VAL A 29 15.475 -7.730 5.254 1.00 0.27 H new ATOM 0 HG22 VAL A 29 16.748 -6.780 6.055 1.00 0.27 H new ATOM 0 HG23 VAL A 29 17.048 -7.498 4.455 1.00 0.27 H new ATOM 503 N VAL A 30 19.097 -11.079 6.860 1.00 0.31 N ATOM 504 CA VAL A 30 19.568 -12.171 7.756 1.00 0.35 C ATOM 505 C VAL A 30 21.060 -12.000 8.050 1.00 0.37 C ATOM 506 O VAL A 30 21.507 -12.181 9.165 1.00 0.42 O ATOM 507 CB VAL A 30 19.346 -13.512 7.057 1.00 0.35 C ATOM 508 CG1 VAL A 30 19.821 -14.649 7.959 1.00 0.40 C ATOM 509 CG2 VAL A 30 17.859 -13.687 6.754 1.00 0.35 C ATOM 0 H VAL A 30 18.795 -11.380 5.933 1.00 0.31 H new ATOM 0 HA VAL A 30 19.013 -12.136 8.693 1.00 0.35 H new ATOM 0 HB VAL A 30 19.913 -13.532 6.126 1.00 0.35 H new ATOM 0 HG11 VAL A 30 19.661 -15.603 7.457 1.00 0.40 H new ATOM 0 HG12 VAL A 30 20.883 -14.525 8.172 1.00 0.40 H new ATOM 0 HG13 VAL A 30 19.259 -14.632 8.893 1.00 0.40 H new ATOM 0 HG21 VAL A 30 17.699 -14.643 6.255 1.00 0.35 H new ATOM 0 HG22 VAL A 30 17.293 -13.664 7.685 1.00 0.35 H new ATOM 0 HG23 VAL A 30 17.522 -12.879 6.105 1.00 0.35 H new ATOM 519 N SER A 31 21.837 -11.668 7.055 1.00 0.36 N ATOM 520 CA SER A 31 23.303 -11.507 7.282 1.00 0.39 C ATOM 521 C SER A 31 23.554 -10.500 8.408 1.00 0.42 C ATOM 522 O SER A 31 24.526 -10.598 9.130 1.00 0.47 O ATOM 523 CB SER A 31 23.977 -11.017 5.999 1.00 0.38 C ATOM 524 OG SER A 31 25.345 -10.739 6.265 1.00 1.36 O ATOM 0 H SER A 31 21.523 -11.502 6.099 1.00 0.36 H new ATOM 0 HA SER A 31 23.722 -12.472 7.565 1.00 0.39 H new ATOM 0 HB2 SER A 31 23.893 -11.773 5.218 1.00 0.38 H new ATOM 0 HB3 SER A 31 23.477 -10.121 5.631 1.00 0.38 H new ATOM 0 HG SER A 31 25.781 -10.426 5.445 1.00 1.36 H new ATOM 530 N GLU A 32 22.692 -9.530 8.568 1.00 0.42 N ATOM 531 CA GLU A 32 22.901 -8.526 9.651 1.00 0.47 C ATOM 532 C GLU A 32 22.388 -9.090 10.977 1.00 0.49 C ATOM 533 O GLU A 32 22.615 -8.524 12.029 1.00 0.54 O ATOM 534 CB GLU A 32 22.144 -7.241 9.317 1.00 0.48 C ATOM 535 CG GLU A 32 22.690 -6.632 8.017 1.00 0.79 C ATOM 536 CD GLU A 32 23.972 -5.846 8.310 1.00 1.50 C ATOM 537 OE1 GLU A 32 25.030 -6.454 8.309 1.00 2.22 O ATOM 538 OE2 GLU A 32 23.872 -4.651 8.533 1.00 2.23 O ATOM 0 H GLU A 32 21.857 -9.390 7.999 1.00 0.42 H new ATOM 0 HA GLU A 32 23.965 -8.306 9.736 1.00 0.47 H new ATOM 0 HB2 GLU A 32 21.080 -7.453 9.210 1.00 0.48 H new ATOM 0 HB3 GLU A 32 22.246 -6.526 10.134 1.00 0.48 H new ATOM 0 HG2 GLU A 32 22.894 -7.421 7.293 1.00 0.79 H new ATOM 0 HG3 GLU A 32 21.944 -5.975 7.571 1.00 0.79 H new ATOM 545 N GLY A 33 21.697 -10.204 10.933 1.00 0.47 N ATOM 546 CA GLY A 33 21.158 -10.828 12.186 1.00 0.50 C ATOM 547 C GLY A 33 19.649 -11.022 12.044 1.00 0.50 C ATOM 548 O GLY A 33 19.019 -11.662 12.858 1.00 0.66 O ATOM 0 H GLY A 33 21.481 -10.713 10.076 1.00 0.47 H new ATOM 0 HA2 GLY A 33 21.644 -11.787 12.367 1.00 0.50 H new ATOM 0 HA3 GLY A 33 21.376 -10.193 13.045 1.00 0.50 H new ATOM 552 N GLY A 34 19.071 -10.474 11.008 1.00 0.43 N ATOM 553 CA GLY A 34 17.598 -10.617 10.795 1.00 0.43 C ATOM 554 C GLY A 34 16.868 -9.397 11.410 1.00 0.43 C ATOM 555 O GLY A 34 17.015 -8.307 10.896 1.00 0.41 O ATOM 0 H GLY A 34 19.558 -9.930 10.295 1.00 0.43 H new ATOM 0 HA2 GLY A 34 17.379 -10.687 9.730 1.00 0.43 H new ATOM 0 HA3 GLY A 34 17.241 -11.538 11.255 1.00 0.43 H new ATOM 559 N PRO A 35 16.103 -9.577 12.485 1.00 0.47 N ATOM 560 CA PRO A 35 15.391 -8.437 13.104 1.00 0.51 C ATOM 561 C PRO A 35 16.390 -7.332 13.481 1.00 0.52 C ATOM 562 O PRO A 35 16.101 -6.157 13.375 1.00 0.64 O ATOM 563 CB PRO A 35 14.706 -9.026 14.364 1.00 0.57 C ATOM 564 CG PRO A 35 15.003 -10.552 14.389 1.00 0.58 C ATOM 565 CD PRO A 35 15.884 -10.877 13.163 1.00 0.52 C ATOM 0 HA PRO A 35 14.665 -7.983 12.430 1.00 0.51 H new ATOM 0 HB2 PRO A 35 15.086 -8.547 15.266 1.00 0.57 H new ATOM 0 HB3 PRO A 35 13.631 -8.845 14.336 1.00 0.57 H new ATOM 0 HG2 PRO A 35 15.514 -10.827 15.311 1.00 0.58 H new ATOM 0 HG3 PRO A 35 14.075 -11.123 14.356 1.00 0.58 H new ATOM 0 HD2 PRO A 35 16.829 -11.327 13.466 1.00 0.52 H new ATOM 0 HD3 PRO A 35 15.390 -11.588 12.501 1.00 0.52 H new ATOM 573 N THR A 36 17.556 -7.706 13.930 1.00 0.50 N ATOM 574 CA THR A 36 18.568 -6.685 14.329 1.00 0.50 C ATOM 575 C THR A 36 19.150 -6.003 13.089 1.00 0.48 C ATOM 576 O THR A 36 20.101 -5.251 13.177 1.00 0.48 O ATOM 577 CB THR A 36 19.695 -7.364 15.108 1.00 0.51 C ATOM 578 OG1 THR A 36 20.379 -8.272 14.255 1.00 0.69 O ATOM 579 CG2 THR A 36 19.109 -8.122 16.300 1.00 0.80 C ATOM 0 H THR A 36 17.853 -8.676 14.038 1.00 0.50 H new ATOM 0 HA THR A 36 18.085 -5.934 14.954 1.00 0.50 H new ATOM 0 HB THR A 36 20.394 -6.609 15.469 1.00 0.51 H new ATOM 0 HG1 THR A 36 21.103 -8.707 14.753 1.00 0.69 H new ATOM 0 HG21 THR A 36 19.913 -8.606 16.855 1.00 0.80 H new ATOM 0 HG22 THR A 36 18.586 -7.424 16.954 1.00 0.80 H new ATOM 0 HG23 THR A 36 18.409 -8.878 15.942 1.00 0.80 H new ATOM 587 N ALA A 37 18.594 -6.249 11.936 1.00 0.48 N ATOM 588 CA ALA A 37 19.132 -5.601 10.708 1.00 0.48 C ATOM 589 C ALA A 37 18.781 -4.113 10.723 1.00 0.55 C ATOM 590 O ALA A 37 17.849 -3.692 11.379 1.00 1.10 O ATOM 591 CB ALA A 37 18.528 -6.261 9.468 1.00 0.42 C ATOM 0 H ALA A 37 17.795 -6.867 11.791 1.00 0.48 H new ATOM 0 HA ALA A 37 20.215 -5.718 10.682 1.00 0.48 H new ATOM 0 HB1 ALA A 37 18.925 -5.784 8.572 1.00 0.42 H new ATOM 0 HB2 ALA A 37 18.784 -7.320 9.458 1.00 0.42 H new ATOM 0 HB3 ALA A 37 17.444 -6.150 9.488 1.00 0.42 H new ATOM 597 N THR A 38 19.519 -3.312 10.007 1.00 0.45 N ATOM 598 CA THR A 38 19.225 -1.853 9.985 1.00 0.46 C ATOM 599 C THR A 38 17.790 -1.633 9.510 1.00 0.40 C ATOM 600 O THR A 38 17.147 -2.531 9.002 1.00 0.36 O ATOM 601 CB THR A 38 20.193 -1.150 9.031 1.00 0.48 C ATOM 602 OG1 THR A 38 20.250 -1.865 7.805 1.00 0.66 O ATOM 603 CG2 THR A 38 21.585 -1.101 9.661 1.00 0.66 C ATOM 0 H THR A 38 20.312 -3.604 9.437 1.00 0.45 H new ATOM 0 HA THR A 38 19.344 -1.442 10.988 1.00 0.46 H new ATOM 0 HB THR A 38 19.846 -0.134 8.843 1.00 0.48 H new ATOM 0 HG1 THR A 38 20.869 -1.415 7.192 1.00 0.66 H new ATOM 0 HG21 THR A 38 22.275 -0.600 8.981 1.00 0.66 H new ATOM 0 HG22 THR A 38 21.540 -0.552 10.602 1.00 0.66 H new ATOM 0 HG23 THR A 38 21.935 -2.116 9.850 1.00 0.66 H new ATOM 611 N ILE A 39 17.281 -0.446 9.673 1.00 0.47 N ATOM 612 CA ILE A 39 15.889 -0.161 9.235 1.00 0.45 C ATOM 613 C ILE A 39 15.818 -0.185 7.704 1.00 0.40 C ATOM 614 O ILE A 39 14.908 -0.741 7.123 1.00 0.38 O ATOM 615 CB ILE A 39 15.485 1.224 9.756 1.00 0.55 C ATOM 616 CG1 ILE A 39 15.241 1.144 11.268 1.00 0.73 C ATOM 617 CG2 ILE A 39 14.207 1.694 9.058 1.00 0.53 C ATOM 618 CD1 ILE A 39 15.213 2.555 11.860 1.00 0.73 C ATOM 0 H ILE A 39 17.772 0.343 10.093 1.00 0.47 H new ATOM 0 HA ILE A 39 15.209 -0.916 9.631 1.00 0.45 H new ATOM 0 HB ILE A 39 16.286 1.934 9.548 1.00 0.55 H new ATOM 0 HG12 ILE A 39 14.297 0.636 11.468 1.00 0.73 H new ATOM 0 HG13 ILE A 39 16.026 0.555 11.742 1.00 0.73 H new ATOM 0 HG21 ILE A 39 13.928 2.678 9.434 1.00 0.53 H new ATOM 0 HG22 ILE A 39 14.380 1.752 7.983 1.00 0.53 H new ATOM 0 HG23 ILE A 39 13.402 0.987 9.259 1.00 0.53 H new ATOM 0 HD11 ILE A 39 15.039 2.495 12.934 1.00 0.73 H new ATOM 0 HD12 ILE A 39 16.168 3.047 11.673 1.00 0.73 H new ATOM 0 HD13 ILE A 39 14.412 3.129 11.394 1.00 0.73 H new ATOM 630 N GLN A 40 16.769 0.422 7.052 1.00 0.42 N ATOM 631 CA GLN A 40 16.757 0.445 5.562 1.00 0.43 C ATOM 632 C GLN A 40 16.694 -0.986 5.028 1.00 0.35 C ATOM 633 O GLN A 40 16.184 -1.238 3.955 1.00 0.37 O ATOM 634 CB GLN A 40 18.029 1.125 5.054 1.00 0.53 C ATOM 635 CG GLN A 40 18.084 2.561 5.579 1.00 1.38 C ATOM 636 CD GLN A 40 19.379 3.227 5.112 1.00 1.91 C ATOM 637 OE1 GLN A 40 20.253 3.508 5.907 1.00 2.54 O ATOM 638 NE2 GLN A 40 19.541 3.492 3.844 1.00 2.43 N ATOM 0 H GLN A 40 17.556 0.904 7.487 1.00 0.42 H new ATOM 0 HA GLN A 40 15.885 0.999 5.214 1.00 0.43 H new ATOM 0 HB2 GLN A 40 18.907 0.571 5.386 1.00 0.53 H new ATOM 0 HB3 GLN A 40 18.044 1.124 3.964 1.00 0.53 H new ATOM 0 HG2 GLN A 40 17.223 3.124 5.219 1.00 1.38 H new ATOM 0 HG3 GLN A 40 18.034 2.563 6.668 1.00 1.38 H new ATOM 0 HE21 GLN A 40 18.807 3.256 3.176 1.00 2.43 H new ATOM 0 HE22 GLN A 40 20.401 3.935 3.521 1.00 2.43 H new ATOM 647 N SER A 41 17.214 -1.926 5.768 1.00 0.31 N ATOM 648 CA SER A 41 17.190 -3.341 5.301 1.00 0.28 C ATOM 649 C SER A 41 15.773 -3.902 5.433 1.00 0.24 C ATOM 650 O SER A 41 15.275 -4.570 4.549 1.00 0.25 O ATOM 651 CB SER A 41 18.151 -4.175 6.149 1.00 0.29 C ATOM 652 OG SER A 41 19.395 -3.496 6.254 1.00 1.32 O ATOM 0 H SER A 41 17.654 -1.776 6.676 1.00 0.31 H new ATOM 0 HA SER A 41 17.498 -3.382 4.256 1.00 0.28 H new ATOM 0 HB2 SER A 41 17.729 -4.341 7.140 1.00 0.29 H new ATOM 0 HB3 SER A 41 18.296 -5.156 5.696 1.00 0.29 H new ATOM 0 HG SER A 41 19.353 -2.848 6.988 1.00 1.32 H new ATOM 658 N ARG A 42 15.121 -3.639 6.531 1.00 0.22 N ATOM 659 CA ARG A 42 13.738 -4.159 6.718 1.00 0.21 C ATOM 660 C ARG A 42 12.781 -3.364 5.821 1.00 0.20 C ATOM 661 O ARG A 42 11.875 -3.909 5.223 1.00 0.20 O ATOM 662 CB ARG A 42 13.340 -4.005 8.202 1.00 0.24 C ATOM 663 CG ARG A 42 12.462 -5.190 8.650 1.00 0.52 C ATOM 664 CD ARG A 42 13.345 -6.409 8.984 1.00 0.82 C ATOM 665 NE ARG A 42 12.655 -7.669 8.560 1.00 1.50 N ATOM 666 CZ ARG A 42 11.405 -7.896 8.871 1.00 1.92 C ATOM 667 NH1 ARG A 42 10.770 -7.104 9.689 1.00 1.83 N ATOM 668 NH2 ARG A 42 10.805 -8.954 8.399 1.00 2.91 N ATOM 0 H ARG A 42 15.486 -3.087 7.307 1.00 0.22 H new ATOM 0 HA ARG A 42 13.687 -5.213 6.445 1.00 0.21 H new ATOM 0 HB2 ARG A 42 14.235 -3.953 8.821 1.00 0.24 H new ATOM 0 HB3 ARG A 42 12.799 -3.069 8.345 1.00 0.24 H new ATOM 0 HG2 ARG A 42 11.874 -4.907 9.523 1.00 0.52 H new ATOM 0 HG3 ARG A 42 11.756 -5.448 7.861 1.00 0.52 H new ATOM 0 HD2 ARG A 42 14.306 -6.322 8.478 1.00 0.82 H new ATOM 0 HD3 ARG A 42 13.550 -6.439 10.054 1.00 0.82 H new ATOM 0 HE ARG A 42 13.170 -8.363 8.018 1.00 1.50 H new ATOM 0 HH11 ARG A 42 11.248 -6.298 10.093 1.00 1.83 H new ATOM 0 HH12 ARG A 42 9.795 -7.290 9.925 1.00 1.83 H new ATOM 0 HH21 ARG A 42 11.311 -9.598 7.791 1.00 2.91 H new ATOM 0 HH22 ARG A 42 9.830 -9.137 8.638 1.00 2.91 H new ATOM 682 N PHE A 43 12.979 -2.077 5.731 1.00 0.22 N ATOM 683 CA PHE A 43 12.087 -1.237 4.883 1.00 0.24 C ATOM 684 C PHE A 43 11.982 -1.839 3.479 1.00 0.23 C ATOM 685 O PHE A 43 10.903 -1.976 2.936 1.00 0.23 O ATOM 686 CB PHE A 43 12.665 0.177 4.787 1.00 0.28 C ATOM 687 CG PHE A 43 11.750 1.040 3.953 1.00 0.38 C ATOM 688 CD1 PHE A 43 10.710 1.752 4.563 1.00 1.18 C ATOM 689 CD2 PHE A 43 11.940 1.129 2.569 1.00 1.40 C ATOM 690 CE1 PHE A 43 9.860 2.552 3.789 1.00 1.22 C ATOM 691 CE2 PHE A 43 11.091 1.929 1.795 1.00 1.48 C ATOM 692 CZ PHE A 43 10.051 2.640 2.405 1.00 0.70 C ATOM 0 H PHE A 43 13.723 -1.570 6.210 1.00 0.22 H new ATOM 0 HA PHE A 43 11.094 -1.201 5.332 1.00 0.24 H new ATOM 0 HB2 PHE A 43 12.776 0.604 5.784 1.00 0.28 H new ATOM 0 HB3 PHE A 43 13.659 0.145 4.341 1.00 0.28 H new ATOM 0 HD1 PHE A 43 10.563 1.684 5.631 1.00 1.18 H new ATOM 0 HD2 PHE A 43 12.742 0.580 2.098 1.00 1.40 H new ATOM 0 HE1 PHE A 43 9.058 3.101 4.260 1.00 1.22 H new ATOM 0 HE2 PHE A 43 11.238 1.998 0.727 1.00 1.48 H new ATOM 0 HZ PHE A 43 9.396 3.257 1.808 1.00 0.70 H new ATOM 702 N ASN A 44 13.087 -2.194 2.881 1.00 0.24 N ATOM 703 CA ASN A 44 13.038 -2.779 1.510 1.00 0.24 C ATOM 704 C ASN A 44 12.380 -4.160 1.558 1.00 0.22 C ATOM 705 O ASN A 44 11.663 -4.548 0.657 1.00 0.23 O ATOM 706 CB ASN A 44 14.464 -2.914 0.969 1.00 0.25 C ATOM 707 CG ASN A 44 14.418 -3.282 -0.516 1.00 0.95 C ATOM 708 OD1 ASN A 44 13.742 -4.215 -0.901 1.00 1.73 O ATOM 709 ND2 ASN A 44 15.113 -2.583 -1.372 1.00 1.67 N ATOM 0 H ASN A 44 14.021 -2.104 3.282 1.00 0.24 H new ATOM 0 HA ASN A 44 12.456 -2.127 0.859 1.00 0.24 H new ATOM 0 HB2 ASN A 44 15.005 -1.978 1.105 1.00 0.25 H new ATOM 0 HB3 ASN A 44 15.004 -3.679 1.527 1.00 0.25 H new ATOM 0 HD21 ASN A 44 15.088 -2.820 -2.364 1.00 1.67 H new ATOM 0 HD22 ASN A 44 15.681 -1.800 -1.049 1.00 1.67 H new ATOM 716 N TYR A 45 12.617 -4.908 2.599 1.00 0.21 N ATOM 717 CA TYR A 45 12.003 -6.262 2.695 1.00 0.20 C ATOM 718 C TYR A 45 10.479 -6.137 2.610 1.00 0.21 C ATOM 719 O TYR A 45 9.808 -6.970 2.031 1.00 0.22 O ATOM 720 CB TYR A 45 12.398 -6.902 4.030 1.00 0.20 C ATOM 721 CG TYR A 45 11.842 -8.308 4.113 1.00 0.21 C ATOM 722 CD1 TYR A 45 12.278 -9.287 3.210 1.00 1.12 C ATOM 723 CD2 TYR A 45 10.896 -8.635 5.094 1.00 1.33 C ATOM 724 CE1 TYR A 45 11.768 -10.589 3.288 1.00 1.05 C ATOM 725 CE2 TYR A 45 10.388 -9.938 5.171 1.00 1.43 C ATOM 726 CZ TYR A 45 10.823 -10.914 4.267 1.00 0.43 C ATOM 727 OH TYR A 45 10.322 -12.197 4.344 1.00 0.57 O ATOM 0 H TYR A 45 13.208 -4.641 3.386 1.00 0.21 H new ATOM 0 HA TYR A 45 12.358 -6.887 1.875 1.00 0.20 H new ATOM 0 HB2 TYR A 45 13.484 -6.925 4.125 1.00 0.20 H new ATOM 0 HB3 TYR A 45 12.018 -6.302 4.857 1.00 0.20 H new ATOM 0 HD1 TYR A 45 13.007 -9.037 2.454 1.00 1.12 H new ATOM 0 HD2 TYR A 45 10.559 -7.882 5.791 1.00 1.33 H new ATOM 0 HE1 TYR A 45 12.105 -11.343 2.592 1.00 1.05 H new ATOM 0 HE2 TYR A 45 9.660 -10.190 5.928 1.00 1.43 H new ATOM 0 HH TYR A 45 9.677 -12.253 5.080 1.00 0.57 H new ATOM 737 N ALA A 46 9.927 -5.099 3.177 1.00 0.22 N ATOM 738 CA ALA A 46 8.447 -4.918 3.126 1.00 0.24 C ATOM 739 C ALA A 46 8.038 -4.429 1.737 1.00 0.25 C ATOM 740 O ALA A 46 6.923 -4.633 1.299 1.00 0.28 O ATOM 741 CB ALA A 46 8.023 -3.886 4.172 1.00 0.26 C ATOM 0 H ALA A 46 10.436 -4.368 3.674 1.00 0.22 H new ATOM 0 HA ALA A 46 7.959 -5.870 3.334 1.00 0.24 H new ATOM 0 HB1 ALA A 46 6.942 -3.754 4.135 1.00 0.26 H new ATOM 0 HB2 ALA A 46 8.312 -4.233 5.164 1.00 0.26 H new ATOM 0 HB3 ALA A 46 8.512 -2.935 3.964 1.00 0.26 H new ATOM 747 N TRP A 47 8.929 -3.779 1.043 1.00 0.26 N ATOM 748 CA TRP A 47 8.591 -3.269 -0.314 1.00 0.29 C ATOM 749 C TRP A 47 8.371 -4.448 -1.267 1.00 0.29 C ATOM 750 O TRP A 47 7.404 -4.486 -2.001 1.00 0.29 O ATOM 751 CB TRP A 47 9.741 -2.388 -0.817 1.00 0.33 C ATOM 752 CG TRP A 47 9.522 -1.997 -2.246 1.00 0.34 C ATOM 753 CD1 TRP A 47 10.350 -2.319 -3.266 1.00 0.38 C ATOM 754 CD2 TRP A 47 8.438 -1.211 -2.832 1.00 0.35 C ATOM 755 NE1 TRP A 47 9.848 -1.785 -4.438 1.00 0.40 N ATOM 756 CE2 TRP A 47 8.673 -1.095 -4.224 1.00 0.38 C ATOM 757 CE3 TRP A 47 7.287 -0.596 -2.303 1.00 0.36 C ATOM 758 CZ2 TRP A 47 7.801 -0.394 -5.058 1.00 0.42 C ATOM 759 CZ3 TRP A 47 6.408 0.109 -3.144 1.00 0.42 C ATOM 760 CH2 TRP A 47 6.665 0.209 -4.517 1.00 0.44 C ATOM 0 H TRP A 47 9.878 -3.579 1.358 1.00 0.26 H new ATOM 0 HA TRP A 47 7.676 -2.678 -0.272 1.00 0.29 H new ATOM 0 HB2 TRP A 47 9.819 -1.494 -0.198 1.00 0.33 H new ATOM 0 HB3 TRP A 47 10.685 -2.924 -0.722 1.00 0.33 H new ATOM 0 HD1 TRP A 47 11.257 -2.899 -3.179 1.00 0.38 H new ATOM 0 HE1 TRP A 47 10.292 -1.889 -5.350 1.00 0.40 H new ATOM 0 HE3 TRP A 47 7.078 -0.666 -1.246 1.00 0.36 H new ATOM 0 HZ2 TRP A 47 8.004 -0.319 -6.116 1.00 0.42 H new ATOM 0 HZ3 TRP A 47 5.528 0.577 -2.728 1.00 0.42 H new ATOM 0 HH2 TRP A 47 5.985 0.752 -5.156 1.00 0.44 H new ATOM 771 N GLY A 48 9.262 -5.404 -1.279 1.00 0.29 N ATOM 772 CA GLY A 48 9.098 -6.562 -2.202 1.00 0.30 C ATOM 773 C GLY A 48 7.868 -7.380 -1.808 1.00 0.27 C ATOM 774 O GLY A 48 7.184 -7.928 -2.649 1.00 0.29 O ATOM 0 H GLY A 48 10.094 -5.432 -0.690 1.00 0.29 H new ATOM 0 HA2 GLY A 48 8.995 -6.207 -3.228 1.00 0.30 H new ATOM 0 HA3 GLY A 48 9.988 -7.191 -2.170 1.00 0.30 H new ATOM 778 N LEU A 49 7.577 -7.470 -0.540 1.00 0.25 N ATOM 779 CA LEU A 49 6.389 -8.258 -0.108 1.00 0.24 C ATOM 780 C LEU A 49 5.118 -7.592 -0.637 1.00 0.24 C ATOM 781 O LEU A 49 4.111 -8.237 -0.849 1.00 0.29 O ATOM 782 CB LEU A 49 6.342 -8.318 1.422 1.00 0.23 C ATOM 783 CG LEU A 49 7.479 -9.212 1.951 1.00 0.23 C ATOM 784 CD1 LEU A 49 7.688 -8.948 3.454 1.00 0.24 C ATOM 785 CD2 LEU A 49 7.141 -10.703 1.733 1.00 0.26 C ATOM 0 H LEU A 49 8.108 -7.034 0.213 1.00 0.25 H new ATOM 0 HA LEU A 49 6.459 -9.271 -0.505 1.00 0.24 H new ATOM 0 HB2 LEU A 49 6.435 -7.314 1.836 1.00 0.23 H new ATOM 0 HB3 LEU A 49 5.379 -8.709 1.749 1.00 0.23 H new ATOM 0 HG LEU A 49 8.392 -8.975 1.405 1.00 0.23 H new ATOM 0 HD11 LEU A 49 8.493 -9.582 3.826 1.00 0.24 H new ATOM 0 HD12 LEU A 49 7.950 -7.901 3.607 1.00 0.24 H new ATOM 0 HD13 LEU A 49 6.769 -9.174 3.994 1.00 0.24 H new ATOM 0 HD21 LEU A 49 7.955 -11.320 2.113 1.00 0.26 H new ATOM 0 HD22 LEU A 49 6.221 -10.949 2.264 1.00 0.26 H new ATOM 0 HD23 LEU A 49 7.007 -10.894 0.668 1.00 0.26 H new ATOM 797 N ILE A 50 5.151 -6.305 -0.849 1.00 0.24 N ATOM 798 CA ILE A 50 3.939 -5.609 -1.364 1.00 0.26 C ATOM 799 C ILE A 50 3.811 -5.832 -2.877 1.00 0.27 C ATOM 800 O ILE A 50 2.718 -5.869 -3.407 1.00 0.29 O ATOM 801 CB ILE A 50 4.033 -4.110 -1.057 1.00 0.28 C ATOM 802 CG1 ILE A 50 3.890 -3.904 0.455 1.00 0.32 C ATOM 803 CG2 ILE A 50 2.907 -3.360 -1.779 1.00 0.32 C ATOM 804 CD1 ILE A 50 4.237 -2.459 0.820 1.00 0.73 C ATOM 0 H ILE A 50 5.962 -5.707 -0.688 1.00 0.24 H new ATOM 0 HA ILE A 50 3.055 -6.017 -0.873 1.00 0.26 H new ATOM 0 HB ILE A 50 4.995 -3.727 -1.398 1.00 0.28 H new ATOM 0 HG12 ILE A 50 2.871 -4.132 0.767 1.00 0.32 H new ATOM 0 HG13 ILE A 50 4.548 -4.591 0.988 1.00 0.32 H new ATOM 0 HG21 ILE A 50 2.979 -2.295 -1.557 1.00 0.32 H new ATOM 0 HG22 ILE A 50 2.999 -3.514 -2.854 1.00 0.32 H new ATOM 0 HG23 ILE A 50 1.942 -3.737 -1.439 1.00 0.32 H new ATOM 0 HD11 ILE A 50 4.133 -2.321 1.896 1.00 0.73 H new ATOM 0 HD12 ILE A 50 5.264 -2.246 0.524 1.00 0.73 H new ATOM 0 HD13 ILE A 50 3.561 -1.780 0.300 1.00 0.73 H new ATOM 816 N LYS A 51 4.901 -5.987 -3.585 1.00 0.28 N ATOM 817 CA LYS A 51 4.800 -6.210 -5.059 1.00 0.31 C ATOM 818 C LYS A 51 4.298 -7.629 -5.325 1.00 0.31 C ATOM 819 O LYS A 51 3.875 -7.954 -6.417 1.00 0.36 O ATOM 820 CB LYS A 51 6.181 -6.026 -5.696 1.00 0.37 C ATOM 821 CG LYS A 51 6.722 -4.630 -5.359 1.00 0.72 C ATOM 822 CD LYS A 51 8.045 -4.377 -6.112 1.00 0.79 C ATOM 823 CE LYS A 51 7.765 -3.798 -7.510 1.00 0.87 C ATOM 824 NZ LYS A 51 7.673 -2.314 -7.420 1.00 1.58 N ATOM 0 H LYS A 51 5.849 -5.969 -3.210 1.00 0.28 H new ATOM 0 HA LYS A 51 4.102 -5.492 -5.491 1.00 0.31 H new ATOM 0 HB2 LYS A 51 6.866 -6.791 -5.330 1.00 0.37 H new ATOM 0 HB3 LYS A 51 6.113 -6.150 -6.777 1.00 0.37 H new ATOM 0 HG2 LYS A 51 5.988 -3.872 -5.632 1.00 0.72 H new ATOM 0 HG3 LYS A 51 6.884 -4.544 -4.285 1.00 0.72 H new ATOM 0 HD2 LYS A 51 8.668 -3.686 -5.544 1.00 0.79 H new ATOM 0 HD3 LYS A 51 8.603 -5.309 -6.203 1.00 0.79 H new ATOM 0 HE2 LYS A 51 8.559 -4.083 -8.200 1.00 0.87 H new ATOM 0 HE3 LYS A 51 6.836 -4.208 -7.906 1.00 0.87 H new ATOM 0 HZ1 LYS A 51 6.773 -1.996 -7.833 1.00 1.58 H new ATOM 0 HZ2 LYS A 51 7.718 -2.023 -6.422 1.00 1.58 H new ATOM 0 HZ3 LYS A 51 8.464 -1.885 -7.942 1.00 1.58 H new ATOM 838 N SER A 52 4.332 -8.476 -4.334 1.00 0.32 N ATOM 839 CA SER A 52 3.848 -9.868 -4.536 1.00 0.34 C ATOM 840 C SER A 52 2.371 -9.825 -4.937 1.00 0.35 C ATOM 841 O SER A 52 1.649 -8.909 -4.597 1.00 0.36 O ATOM 842 CB SER A 52 4.021 -10.666 -3.233 1.00 0.36 C ATOM 843 OG SER A 52 2.853 -11.438 -2.980 1.00 1.14 O ATOM 0 H SER A 52 4.673 -8.264 -3.396 1.00 0.32 H new ATOM 0 HA SER A 52 4.423 -10.354 -5.324 1.00 0.34 H new ATOM 0 HB2 SER A 52 4.890 -11.319 -3.309 1.00 0.36 H new ATOM 0 HB3 SER A 52 4.205 -9.986 -2.401 1.00 0.36 H new ATOM 0 HG SER A 52 3.098 -12.252 -2.493 1.00 1.14 H new ATOM 849 N THR A 53 1.923 -10.811 -5.664 1.00 0.38 N ATOM 850 CA THR A 53 0.497 -10.832 -6.101 1.00 0.41 C ATOM 851 C THR A 53 -0.387 -11.398 -4.985 1.00 0.40 C ATOM 852 O THR A 53 -1.559 -11.086 -4.899 1.00 0.52 O ATOM 853 CB THR A 53 0.358 -11.700 -7.352 1.00 0.46 C ATOM 854 OG1 THR A 53 0.723 -13.037 -7.043 1.00 0.51 O ATOM 855 CG2 THR A 53 1.271 -11.158 -8.453 1.00 0.49 C ATOM 0 H THR A 53 2.483 -11.605 -5.975 1.00 0.38 H new ATOM 0 HA THR A 53 0.179 -9.814 -6.325 1.00 0.41 H new ATOM 0 HB THR A 53 -0.676 -11.679 -7.698 1.00 0.46 H new ATOM 0 HG1 THR A 53 0.632 -13.594 -7.844 1.00 0.51 H new ATOM 0 HG21 THR A 53 1.172 -11.777 -9.345 1.00 0.49 H new ATOM 0 HG22 THR A 53 0.987 -10.133 -8.689 1.00 0.49 H new ATOM 0 HG23 THR A 53 2.306 -11.178 -8.110 1.00 0.49 H new ATOM 863 N ASP A 54 0.152 -12.227 -4.131 1.00 0.39 N ATOM 864 CA ASP A 54 -0.681 -12.800 -3.034 1.00 0.38 C ATOM 865 C ASP A 54 -0.891 -11.750 -1.939 1.00 0.37 C ATOM 866 O ASP A 54 -0.074 -10.881 -1.706 1.00 0.36 O ATOM 867 CB ASP A 54 -0.018 -14.051 -2.455 1.00 0.38 C ATOM 868 CG ASP A 54 0.321 -15.022 -3.588 1.00 1.31 C ATOM 869 OD1 ASP A 54 -0.592 -15.427 -4.288 1.00 1.86 O ATOM 870 OD2 ASP A 54 1.489 -15.344 -3.735 1.00 2.18 O ATOM 0 H ASP A 54 1.126 -12.530 -4.145 1.00 0.39 H new ATOM 0 HA ASP A 54 -1.651 -13.086 -3.441 1.00 0.38 H new ATOM 0 HB2 ASP A 54 0.888 -13.778 -1.913 1.00 0.38 H new ATOM 0 HB3 ASP A 54 -0.685 -14.530 -1.739 1.00 0.38 H new ATOM 875 N VAL A 55 -2.017 -11.843 -1.283 1.00 0.37 N ATOM 876 CA VAL A 55 -2.381 -10.889 -0.200 1.00 0.37 C ATOM 877 C VAL A 55 -1.648 -11.246 1.098 1.00 0.35 C ATOM 878 O VAL A 55 -1.555 -10.449 2.009 1.00 0.35 O ATOM 879 CB VAL A 55 -3.898 -10.951 0.013 1.00 0.39 C ATOM 880 CG1 VAL A 55 -4.279 -12.238 0.749 1.00 0.42 C ATOM 881 CG2 VAL A 55 -4.351 -9.741 0.829 1.00 0.40 C ATOM 0 H VAL A 55 -2.718 -12.562 -1.460 1.00 0.37 H new ATOM 0 HA VAL A 55 -2.086 -9.879 -0.485 1.00 0.37 H new ATOM 0 HB VAL A 55 -4.391 -10.942 -0.959 1.00 0.39 H new ATOM 0 HG11 VAL A 55 -5.359 -12.268 0.893 1.00 0.42 H new ATOM 0 HG12 VAL A 55 -3.967 -13.100 0.159 1.00 0.42 H new ATOM 0 HG13 VAL A 55 -3.782 -12.263 1.719 1.00 0.42 H new ATOM 0 HG21 VAL A 55 -5.430 -9.787 0.979 1.00 0.40 H new ATOM 0 HG22 VAL A 55 -3.849 -9.746 1.797 1.00 0.40 H new ATOM 0 HG23 VAL A 55 -4.098 -8.826 0.294 1.00 0.40 H new ATOM 891 N ASN A 56 -1.121 -12.432 1.179 1.00 0.34 N ATOM 892 CA ASN A 56 -0.382 -12.841 2.409 1.00 0.34 C ATOM 893 C ASN A 56 0.852 -11.948 2.586 1.00 0.31 C ATOM 894 O ASN A 56 1.198 -11.548 3.683 1.00 0.31 O ATOM 895 CB ASN A 56 0.065 -14.298 2.269 1.00 0.36 C ATOM 896 CG ASN A 56 0.704 -14.763 3.579 1.00 1.34 C ATOM 897 OD1 ASN A 56 1.876 -14.540 3.810 1.00 2.14 O ATOM 898 ND2 ASN A 56 -0.023 -15.405 4.452 1.00 2.11 N ATOM 0 H ASN A 56 -1.168 -13.140 0.446 1.00 0.34 H new ATOM 0 HA ASN A 56 -1.034 -12.737 3.276 1.00 0.34 H new ATOM 0 HB2 ASN A 56 -0.789 -14.930 2.024 1.00 0.36 H new ATOM 0 HB3 ASN A 56 0.778 -14.394 1.450 1.00 0.36 H new ATOM 0 HD21 ASN A 56 0.392 -15.720 5.329 1.00 2.11 H new ATOM 0 HD22 ASN A 56 -1.007 -15.592 4.258 1.00 2.11 H new ATOM 905 N ASP A 57 1.522 -11.643 1.512 1.00 0.30 N ATOM 906 CA ASP A 57 2.741 -10.792 1.603 1.00 0.30 C ATOM 907 C ASP A 57 2.355 -9.321 1.812 1.00 0.29 C ATOM 908 O ASP A 57 3.106 -8.553 2.381 1.00 0.28 O ATOM 909 CB ASP A 57 3.538 -10.937 0.306 1.00 0.33 C ATOM 910 CG ASP A 57 3.882 -12.412 0.086 1.00 0.42 C ATOM 911 OD1 ASP A 57 2.969 -13.180 -0.172 1.00 1.09 O ATOM 912 OD2 ASP A 57 5.050 -12.749 0.181 1.00 1.23 O ATOM 0 H ASP A 57 1.277 -11.948 0.570 1.00 0.30 H new ATOM 0 HA ASP A 57 3.344 -11.113 2.452 1.00 0.30 H new ATOM 0 HB2 ASP A 57 2.958 -10.558 -0.535 1.00 0.33 H new ATOM 0 HB3 ASP A 57 4.450 -10.343 0.358 1.00 0.33 H new ATOM 917 N GLU A 58 1.200 -8.916 1.353 1.00 0.33 N ATOM 918 CA GLU A 58 0.791 -7.488 1.526 1.00 0.36 C ATOM 919 C GLU A 58 0.459 -7.221 3.001 1.00 0.34 C ATOM 920 O GLU A 58 0.805 -6.191 3.544 1.00 0.34 O ATOM 921 CB GLU A 58 -0.447 -7.189 0.652 1.00 0.42 C ATOM 922 CG GLU A 58 -0.020 -6.683 -0.734 1.00 0.92 C ATOM 923 CD GLU A 58 0.732 -7.786 -1.480 1.00 1.66 C ATOM 924 OE1 GLU A 58 1.691 -8.300 -0.930 1.00 2.21 O ATOM 925 OE2 GLU A 58 0.338 -8.095 -2.593 1.00 2.45 O ATOM 0 H GLU A 58 0.525 -9.507 0.868 1.00 0.33 H new ATOM 0 HA GLU A 58 1.612 -6.840 1.218 1.00 0.36 H new ATOM 0 HB2 GLU A 58 -1.051 -8.090 0.546 1.00 0.42 H new ATOM 0 HB3 GLU A 58 -1.073 -6.442 1.141 1.00 0.42 H new ATOM 0 HG2 GLU A 58 -0.896 -6.377 -1.305 1.00 0.92 H new ATOM 0 HG3 GLU A 58 0.615 -5.803 -0.630 1.00 0.92 H new ATOM 932 N ARG A 59 -0.205 -8.135 3.653 1.00 0.33 N ATOM 933 CA ARG A 59 -0.550 -7.916 5.087 1.00 0.34 C ATOM 934 C ARG A 59 0.721 -8.000 5.931 1.00 0.30 C ATOM 935 O ARG A 59 0.811 -7.416 6.994 1.00 0.31 O ATOM 936 CB ARG A 59 -1.554 -8.975 5.553 1.00 0.40 C ATOM 937 CG ARG A 59 -0.992 -10.374 5.295 1.00 0.68 C ATOM 938 CD ARG A 59 -1.982 -11.422 5.806 1.00 0.95 C ATOM 939 NE ARG A 59 -2.249 -11.186 7.253 1.00 1.62 N ATOM 940 CZ ARG A 59 -3.264 -11.767 7.832 1.00 2.13 C ATOM 941 NH1 ARG A 59 -4.040 -12.561 7.146 1.00 2.23 N ATOM 942 NH2 ARG A 59 -3.501 -11.555 9.098 1.00 3.12 N ATOM 0 H ARG A 59 -0.523 -9.020 3.258 1.00 0.33 H new ATOM 0 HA ARG A 59 -1.000 -6.930 5.203 1.00 0.34 H new ATOM 0 HB2 ARG A 59 -1.763 -8.848 6.615 1.00 0.40 H new ATOM 0 HB3 ARG A 59 -2.499 -8.850 5.025 1.00 0.40 H new ATOM 0 HG2 ARG A 59 -0.814 -10.515 4.229 1.00 0.68 H new ATOM 0 HG3 ARG A 59 -0.031 -10.490 5.797 1.00 0.68 H new ATOM 0 HD2 ARG A 59 -2.912 -11.367 5.240 1.00 0.95 H new ATOM 0 HD3 ARG A 59 -1.577 -12.423 5.658 1.00 0.95 H new ATOM 0 HE ARG A 59 -1.639 -10.571 7.791 1.00 1.62 H new ATOM 0 HH11 ARG A 59 -3.853 -12.728 6.157 1.00 2.23 H new ATOM 0 HH12 ARG A 59 -4.833 -13.015 7.599 1.00 2.23 H new ATOM 0 HH21 ARG A 59 -2.893 -10.936 9.634 1.00 3.12 H new ATOM 0 HH22 ARG A 59 -4.294 -12.009 9.551 1.00 3.12 H new ATOM 956 N LEU A 60 1.712 -8.708 5.462 1.00 0.28 N ATOM 957 CA LEU A 60 2.978 -8.809 6.239 1.00 0.27 C ATOM 958 C LEU A 60 3.765 -7.502 6.086 1.00 0.25 C ATOM 959 O LEU A 60 4.278 -6.959 7.045 1.00 0.26 O ATOM 960 CB LEU A 60 3.806 -9.984 5.703 1.00 0.29 C ATOM 961 CG LEU A 60 5.162 -10.061 6.421 1.00 0.30 C ATOM 962 CD1 LEU A 60 4.956 -10.158 7.941 1.00 0.32 C ATOM 963 CD2 LEU A 60 5.916 -11.301 5.926 1.00 0.34 C ATOM 0 H LEU A 60 1.700 -9.218 4.579 1.00 0.28 H new ATOM 0 HA LEU A 60 2.758 -8.977 7.293 1.00 0.27 H new ATOM 0 HB2 LEU A 60 3.259 -10.916 5.845 1.00 0.29 H new ATOM 0 HB3 LEU A 60 3.962 -9.867 4.631 1.00 0.29 H new ATOM 0 HG LEU A 60 5.737 -9.161 6.203 1.00 0.30 H new ATOM 0 HD11 LEU A 60 5.925 -10.212 8.437 1.00 0.32 H new ATOM 0 HD12 LEU A 60 4.417 -9.278 8.292 1.00 0.32 H new ATOM 0 HD13 LEU A 60 4.379 -11.053 8.174 1.00 0.32 H new ATOM 0 HD21 LEU A 60 6.881 -11.365 6.430 1.00 0.34 H new ATOM 0 HD22 LEU A 60 5.331 -12.194 6.146 1.00 0.34 H new ATOM 0 HD23 LEU A 60 6.073 -11.226 4.850 1.00 0.34 H new ATOM 975 N GLY A 61 3.867 -6.995 4.885 1.00 0.22 N ATOM 976 CA GLY A 61 4.624 -5.726 4.668 1.00 0.21 C ATOM 977 C GLY A 61 3.964 -4.585 5.446 1.00 0.20 C ATOM 978 O GLY A 61 4.630 -3.771 6.053 1.00 0.21 O ATOM 0 H GLY A 61 3.459 -7.405 4.045 1.00 0.22 H new ATOM 0 HA2 GLY A 61 5.657 -5.849 4.993 1.00 0.21 H new ATOM 0 HA3 GLY A 61 4.650 -5.485 3.605 1.00 0.21 H new ATOM 982 N VAL A 62 2.661 -4.517 5.434 1.00 0.20 N ATOM 983 CA VAL A 62 1.967 -3.424 6.174 1.00 0.21 C ATOM 984 C VAL A 62 2.411 -3.458 7.642 1.00 0.22 C ATOM 985 O VAL A 62 2.740 -2.444 8.225 1.00 0.25 O ATOM 986 CB VAL A 62 0.436 -3.632 6.061 1.00 0.23 C ATOM 987 CG1 VAL A 62 -0.292 -3.078 7.298 1.00 0.28 C ATOM 988 CG2 VAL A 62 -0.092 -2.918 4.809 1.00 0.31 C ATOM 0 H VAL A 62 2.048 -5.169 4.945 1.00 0.20 H new ATOM 0 HA VAL A 62 2.222 -2.453 5.750 1.00 0.21 H new ATOM 0 HB VAL A 62 0.245 -4.703 5.993 1.00 0.23 H new ATOM 0 HG11 VAL A 62 -1.365 -3.238 7.191 1.00 0.28 H new ATOM 0 HG12 VAL A 62 0.064 -3.592 8.191 1.00 0.28 H new ATOM 0 HG13 VAL A 62 -0.092 -2.011 7.390 1.00 0.28 H new ATOM 0 HG21 VAL A 62 -1.169 -3.066 4.733 1.00 0.31 H new ATOM 0 HG22 VAL A 62 0.123 -1.852 4.880 1.00 0.31 H new ATOM 0 HG23 VAL A 62 0.394 -3.328 3.924 1.00 0.31 H new ATOM 998 N LYS A 63 2.407 -4.612 8.242 1.00 0.24 N ATOM 999 CA LYS A 63 2.811 -4.713 9.671 1.00 0.28 C ATOM 1000 C LYS A 63 4.247 -4.208 9.849 1.00 0.26 C ATOM 1001 O LYS A 63 4.565 -3.553 10.823 1.00 0.29 O ATOM 1002 CB LYS A 63 2.708 -6.174 10.108 1.00 0.33 C ATOM 1003 CG LYS A 63 2.893 -6.279 11.628 1.00 0.47 C ATOM 1004 CD LYS A 63 3.170 -7.734 12.026 1.00 0.58 C ATOM 1005 CE LYS A 63 1.919 -8.591 11.807 1.00 1.60 C ATOM 1006 NZ LYS A 63 0.749 -7.949 12.470 1.00 2.36 N ATOM 0 H LYS A 63 2.141 -5.494 7.804 1.00 0.24 H new ATOM 0 HA LYS A 63 2.153 -4.098 10.285 1.00 0.28 H new ATOM 0 HB2 LYS A 63 1.738 -6.581 9.822 1.00 0.33 H new ATOM 0 HB3 LYS A 63 3.466 -6.769 9.599 1.00 0.33 H new ATOM 0 HG2 LYS A 63 3.719 -5.643 11.946 1.00 0.47 H new ATOM 0 HG3 LYS A 63 1.999 -5.919 12.137 1.00 0.47 H new ATOM 0 HD2 LYS A 63 3.997 -8.129 11.436 1.00 0.58 H new ATOM 0 HD3 LYS A 63 3.473 -7.781 13.072 1.00 0.58 H new ATOM 0 HE2 LYS A 63 1.727 -8.706 10.740 1.00 1.60 H new ATOM 0 HE3 LYS A 63 2.076 -9.591 12.212 1.00 1.60 H new ATOM 0 HZ1 LYS A 63 -0.004 -8.654 12.605 1.00 2.36 H new ATOM 0 HZ2 LYS A 63 1.038 -7.571 13.395 1.00 2.36 H new ATOM 0 HZ3 LYS A 63 0.395 -7.174 11.874 1.00 2.36 H new ATOM 1020 N ILE A 64 5.117 -4.504 8.923 1.00 0.25 N ATOM 1021 CA ILE A 64 6.527 -4.036 9.048 1.00 0.25 C ATOM 1022 C ILE A 64 6.568 -2.511 8.892 1.00 0.22 C ATOM 1023 O ILE A 64 7.140 -1.808 9.702 1.00 0.22 O ATOM 1024 CB ILE A 64 7.379 -4.708 7.955 1.00 0.28 C ATOM 1025 CG1 ILE A 64 7.633 -6.173 8.337 1.00 0.33 C ATOM 1026 CG2 ILE A 64 8.724 -3.985 7.814 1.00 0.32 C ATOM 1027 CD1 ILE A 64 8.101 -6.954 7.106 1.00 0.35 C ATOM 0 H ILE A 64 4.913 -5.049 8.086 1.00 0.25 H new ATOM 0 HA ILE A 64 6.927 -4.303 10.026 1.00 0.25 H new ATOM 0 HB ILE A 64 6.844 -4.657 7.007 1.00 0.28 H new ATOM 0 HG12 ILE A 64 8.386 -6.229 9.123 1.00 0.33 H new ATOM 0 HG13 ILE A 64 6.722 -6.618 8.737 1.00 0.33 H new ATOM 0 HG21 ILE A 64 9.318 -4.469 7.038 1.00 0.32 H new ATOM 0 HG22 ILE A 64 8.551 -2.944 7.542 1.00 0.32 H new ATOM 0 HG23 ILE A 64 9.261 -4.028 8.762 1.00 0.32 H new ATOM 0 HD11 ILE A 64 8.280 -7.993 7.381 1.00 0.35 H new ATOM 0 HD12 ILE A 64 7.333 -6.910 6.334 1.00 0.35 H new ATOM 0 HD13 ILE A 64 9.023 -6.515 6.726 1.00 0.35 H new ATOM 1039 N LEU A 65 5.967 -2.000 7.856 1.00 0.20 N ATOM 1040 CA LEU A 65 5.966 -0.526 7.635 1.00 0.19 C ATOM 1041 C LEU A 65 5.421 0.190 8.870 1.00 0.19 C ATOM 1042 O LEU A 65 5.794 1.311 9.158 1.00 0.20 O ATOM 1043 CB LEU A 65 5.079 -0.187 6.430 1.00 0.22 C ATOM 1044 CG LEU A 65 5.793 -0.564 5.118 1.00 0.29 C ATOM 1045 CD1 LEU A 65 4.759 -0.746 4.004 1.00 0.69 C ATOM 1046 CD2 LEU A 65 6.774 0.543 4.703 1.00 0.42 C ATOM 0 H LEU A 65 5.473 -2.542 7.147 1.00 0.20 H new ATOM 0 HA LEU A 65 6.989 -0.198 7.448 1.00 0.19 H new ATOM 0 HB2 LEU A 65 4.133 -0.723 6.504 1.00 0.22 H new ATOM 0 HB3 LEU A 65 4.843 0.877 6.431 1.00 0.22 H new ATOM 0 HG LEU A 65 6.342 -1.492 5.278 1.00 0.29 H new ATOM 0 HD11 LEU A 65 5.266 -1.013 3.077 1.00 0.69 H new ATOM 0 HD12 LEU A 65 4.064 -1.540 4.279 1.00 0.69 H new ATOM 0 HD13 LEU A 65 4.209 0.185 3.862 1.00 0.69 H new ATOM 0 HD21 LEU A 65 7.270 0.260 3.774 1.00 0.42 H new ATOM 0 HD22 LEU A 65 6.229 1.475 4.554 1.00 0.42 H new ATOM 0 HD23 LEU A 65 7.520 0.680 5.486 1.00 0.42 H new ATOM 1058 N THR A 66 4.548 -0.435 9.612 1.00 0.21 N ATOM 1059 CA THR A 66 3.997 0.228 10.822 1.00 0.25 C ATOM 1060 C THR A 66 4.968 0.057 11.999 1.00 0.28 C ATOM 1061 O THR A 66 5.044 0.897 12.870 1.00 0.31 O ATOM 1062 CB THR A 66 2.633 -0.404 11.155 1.00 0.29 C ATOM 1063 OG1 THR A 66 1.996 -0.805 9.950 1.00 0.43 O ATOM 1064 CG2 THR A 66 1.752 0.614 11.875 1.00 0.36 C ATOM 0 H THR A 66 4.195 -1.375 9.431 1.00 0.21 H new ATOM 0 HA THR A 66 3.868 1.294 10.637 1.00 0.25 H new ATOM 0 HB THR A 66 2.785 -1.269 11.800 1.00 0.29 H new ATOM 0 HG1 THR A 66 2.327 -1.688 9.683 1.00 0.43 H new ATOM 0 HG21 THR A 66 0.788 0.161 12.108 1.00 0.36 H new ATOM 0 HG22 THR A 66 2.238 0.927 12.799 1.00 0.36 H new ATOM 0 HG23 THR A 66 1.599 1.482 11.233 1.00 0.36 H new ATOM 1072 N ASP A 67 5.745 -0.993 12.009 1.00 0.29 N ATOM 1073 CA ASP A 67 6.726 -1.165 13.120 1.00 0.34 C ATOM 1074 C ASP A 67 7.845 -0.149 12.917 1.00 0.32 C ATOM 1075 O ASP A 67 8.243 0.552 13.827 1.00 0.35 O ATOM 1076 CB ASP A 67 7.304 -2.582 13.097 1.00 0.40 C ATOM 1077 CG ASP A 67 6.229 -3.572 13.544 1.00 1.30 C ATOM 1078 OD1 ASP A 67 5.069 -3.320 13.264 1.00 1.94 O ATOM 1079 OD2 ASP A 67 6.583 -4.563 14.162 1.00 2.12 O ATOM 0 H ASP A 67 5.744 -1.731 11.305 1.00 0.29 H new ATOM 0 HA ASP A 67 6.237 -1.010 14.082 1.00 0.34 H new ATOM 0 HB2 ASP A 67 7.649 -2.830 12.093 1.00 0.40 H new ATOM 0 HB3 ASP A 67 8.170 -2.645 13.756 1.00 0.40 H new ATOM 1084 N ILE A 68 8.344 -0.062 11.718 1.00 0.30 N ATOM 1085 CA ILE A 68 9.428 0.906 11.408 1.00 0.29 C ATOM 1086 C ILE A 68 8.908 2.333 11.613 1.00 0.27 C ATOM 1087 O ILE A 68 9.652 3.236 11.927 1.00 0.31 O ATOM 1088 CB ILE A 68 9.841 0.708 9.947 1.00 0.30 C ATOM 1089 CG1 ILE A 68 10.375 -0.721 9.766 1.00 0.34 C ATOM 1090 CG2 ILE A 68 10.927 1.717 9.570 1.00 0.33 C ATOM 1091 CD1 ILE A 68 10.457 -1.067 8.276 1.00 0.35 C ATOM 0 H ILE A 68 8.041 -0.630 10.927 1.00 0.30 H new ATOM 0 HA ILE A 68 10.284 0.745 12.063 1.00 0.29 H new ATOM 0 HB ILE A 68 8.977 0.863 9.300 1.00 0.30 H new ATOM 0 HG12 ILE A 68 11.361 -0.810 10.223 1.00 0.34 H new ATOM 0 HG13 ILE A 68 9.722 -1.429 10.276 1.00 0.34 H new ATOM 0 HG21 ILE A 68 11.215 1.569 8.529 1.00 0.33 H new ATOM 0 HG22 ILE A 68 10.544 2.729 9.701 1.00 0.33 H new ATOM 0 HG23 ILE A 68 11.796 1.572 10.211 1.00 0.33 H new ATOM 0 HD11 ILE A 68 10.837 -2.082 8.159 1.00 0.35 H new ATOM 0 HD12 ILE A 68 9.464 -0.997 7.831 1.00 0.35 H new ATOM 0 HD13 ILE A 68 11.128 -0.368 7.777 1.00 0.35 H new ATOM 1103 N TYR A 69 7.627 2.532 11.453 1.00 0.26 N ATOM 1104 CA TYR A 69 7.056 3.894 11.652 1.00 0.26 C ATOM 1105 C TYR A 69 7.026 4.225 13.152 1.00 0.28 C ATOM 1106 O TYR A 69 7.376 5.312 13.565 1.00 0.34 O ATOM 1107 CB TYR A 69 5.634 3.956 11.081 1.00 0.29 C ATOM 1108 CG TYR A 69 4.990 5.266 11.482 1.00 0.27 C ATOM 1109 CD1 TYR A 69 4.339 5.372 12.716 1.00 1.22 C ATOM 1110 CD2 TYR A 69 5.053 6.372 10.626 1.00 1.25 C ATOM 1111 CE1 TYR A 69 3.749 6.584 13.096 1.00 1.23 C ATOM 1112 CE2 TYR A 69 4.464 7.585 11.006 1.00 1.28 C ATOM 1113 CZ TYR A 69 3.812 7.690 12.241 1.00 0.38 C ATOM 1114 OH TYR A 69 3.232 8.885 12.616 1.00 0.47 O ATOM 0 H TYR A 69 6.953 1.812 11.194 1.00 0.26 H new ATOM 0 HA TYR A 69 7.679 4.622 11.132 1.00 0.26 H new ATOM 0 HB2 TYR A 69 5.662 3.869 9.995 1.00 0.29 H new ATOM 0 HB3 TYR A 69 5.044 3.119 11.453 1.00 0.29 H new ATOM 0 HD1 TYR A 69 4.291 4.518 13.376 1.00 1.22 H new ATOM 0 HD2 TYR A 69 5.555 6.290 9.673 1.00 1.25 H new ATOM 0 HE1 TYR A 69 3.246 6.665 14.048 1.00 1.23 H new ATOM 0 HE2 TYR A 69 4.513 8.439 10.347 1.00 1.28 H new ATOM 0 HH TYR A 69 3.367 9.550 11.909 1.00 0.47 H new ATOM 1124 N LYS A 70 6.591 3.299 13.962 1.00 0.31 N ATOM 1125 CA LYS A 70 6.511 3.554 15.432 1.00 0.38 C ATOM 1126 C LYS A 70 7.905 3.543 16.071 1.00 0.38 C ATOM 1127 O LYS A 70 8.116 4.140 17.108 1.00 0.45 O ATOM 1128 CB LYS A 70 5.669 2.458 16.091 1.00 0.50 C ATOM 1129 CG LYS A 70 4.230 2.513 15.564 1.00 0.79 C ATOM 1130 CD LYS A 70 3.385 1.411 16.229 1.00 0.88 C ATOM 1131 CE LYS A 70 3.685 0.045 15.597 1.00 1.50 C ATOM 1132 NZ LYS A 70 2.672 -0.950 16.049 1.00 2.26 N ATOM 0 H LYS A 70 6.285 2.371 13.669 1.00 0.31 H new ATOM 0 HA LYS A 70 6.058 4.534 15.582 1.00 0.38 H new ATOM 0 HB2 LYS A 70 6.104 1.480 15.884 1.00 0.50 H new ATOM 0 HB3 LYS A 70 5.674 2.586 17.173 1.00 0.50 H new ATOM 0 HG2 LYS A 70 3.795 3.491 15.770 1.00 0.79 H new ATOM 0 HG3 LYS A 70 4.225 2.384 14.482 1.00 0.79 H new ATOM 0 HD2 LYS A 70 3.597 1.378 17.298 1.00 0.88 H new ATOM 0 HD3 LYS A 70 2.325 1.643 16.121 1.00 0.88 H new ATOM 0 HE2 LYS A 70 3.671 0.125 14.510 1.00 1.50 H new ATOM 0 HE3 LYS A 70 4.685 -0.285 15.879 1.00 1.50 H new ATOM 0 HZ1 LYS A 70 2.878 -1.874 15.619 1.00 2.26 H new ATOM 0 HZ2 LYS A 70 2.706 -1.034 17.085 1.00 2.26 H new ATOM 0 HZ3 LYS A 70 1.724 -0.637 15.759 1.00 2.26 H new ATOM 1146 N GLU A 71 8.853 2.851 15.486 1.00 0.40 N ATOM 1147 CA GLU A 71 10.223 2.780 16.095 1.00 0.52 C ATOM 1148 C GLU A 71 11.188 3.745 15.397 1.00 0.55 C ATOM 1149 O GLU A 71 12.082 4.287 16.017 1.00 1.13 O ATOM 1150 CB GLU A 71 10.755 1.351 15.954 1.00 0.63 C ATOM 1151 CG GLU A 71 11.974 1.166 16.861 1.00 0.99 C ATOM 1152 CD GLU A 71 12.559 -0.233 16.656 1.00 1.55 C ATOM 1153 OE1 GLU A 71 11.810 -1.117 16.273 1.00 2.13 O ATOM 1154 OE2 GLU A 71 13.746 -0.397 16.887 1.00 2.27 O ATOM 0 H GLU A 71 8.740 2.333 14.615 1.00 0.40 H new ATOM 0 HA GLU A 71 10.152 3.062 17.145 1.00 0.52 H new ATOM 0 HB2 GLU A 71 9.978 0.635 16.221 1.00 0.63 H new ATOM 0 HB3 GLU A 71 11.027 1.154 14.917 1.00 0.63 H new ATOM 0 HG2 GLU A 71 12.726 1.922 16.635 1.00 0.99 H new ATOM 0 HG3 GLU A 71 11.688 1.302 17.904 1.00 0.99 H new ATOM 1161 N ALA A 72 11.035 3.961 14.119 1.00 0.59 N ATOM 1162 CA ALA A 72 11.972 4.885 13.404 1.00 0.57 C ATOM 1163 C ALA A 72 11.455 6.324 13.478 1.00 0.65 C ATOM 1164 O ALA A 72 10.615 6.659 14.290 1.00 1.23 O ATOM 1165 CB ALA A 72 12.088 4.456 11.936 1.00 0.60 C ATOM 0 H ALA A 72 10.308 3.542 13.539 1.00 0.59 H new ATOM 0 HA ALA A 72 12.951 4.837 13.880 1.00 0.57 H new ATOM 0 HB1 ALA A 72 12.770 5.127 11.414 1.00 0.60 H new ATOM 0 HB2 ALA A 72 12.471 3.437 11.884 1.00 0.60 H new ATOM 0 HB3 ALA A 72 11.106 4.498 11.466 1.00 0.60 H new ATOM 1171 N GLU A 73 11.946 7.171 12.617 1.00 0.71 N ATOM 1172 CA GLU A 73 11.488 8.586 12.598 1.00 0.77 C ATOM 1173 C GLU A 73 11.963 9.211 11.275 1.00 0.65 C ATOM 1174 O GLU A 73 12.765 8.618 10.585 1.00 1.06 O ATOM 1175 CB GLU A 73 12.091 9.346 13.782 1.00 1.08 C ATOM 1176 CG GLU A 73 11.540 10.776 13.808 1.00 1.79 C ATOM 1177 CD GLU A 73 11.783 11.393 15.186 1.00 2.15 C ATOM 1178 OE1 GLU A 73 12.886 11.256 15.688 1.00 2.60 O ATOM 1179 OE2 GLU A 73 10.860 11.989 15.717 1.00 2.62 O ATOM 0 H GLU A 73 12.653 6.940 11.919 1.00 0.71 H new ATOM 0 HA GLU A 73 10.402 8.638 12.677 1.00 0.77 H new ATOM 0 HB2 GLU A 73 11.851 8.836 14.715 1.00 1.08 H new ATOM 0 HB3 GLU A 73 13.178 9.365 13.700 1.00 1.08 H new ATOM 0 HG2 GLU A 73 12.024 11.377 13.038 1.00 1.79 H new ATOM 0 HG3 GLU A 73 10.473 10.770 13.584 1.00 1.79 H new ATOM 1186 N SER A 74 11.489 10.382 10.897 1.00 0.75 N ATOM 1187 CA SER A 74 11.937 10.976 9.599 1.00 0.62 C ATOM 1188 C SER A 74 11.435 10.091 8.452 1.00 0.55 C ATOM 1189 O SER A 74 10.912 10.570 7.466 1.00 0.63 O ATOM 1190 CB SER A 74 13.466 11.065 9.559 1.00 0.82 C ATOM 1191 OG SER A 74 13.995 9.865 9.012 1.00 1.55 O ATOM 0 H SER A 74 10.821 10.942 11.427 1.00 0.75 H new ATOM 0 HA SER A 74 11.530 11.982 9.496 1.00 0.62 H new ATOM 0 HB2 SER A 74 13.776 11.919 8.957 1.00 0.82 H new ATOM 0 HB3 SER A 74 13.858 11.224 10.563 1.00 0.82 H new ATOM 0 HG SER A 74 13.967 9.157 9.689 1.00 1.55 H new ATOM 1197 N ARG A 75 11.573 8.798 8.586 1.00 0.48 N ATOM 1198 CA ARG A 75 11.090 7.872 7.529 1.00 0.45 C ATOM 1199 C ARG A 75 9.564 7.805 7.598 1.00 0.42 C ATOM 1200 O ARG A 75 8.954 6.836 7.191 1.00 0.50 O ATOM 1201 CB ARG A 75 11.673 6.478 7.774 1.00 0.52 C ATOM 1202 CG ARG A 75 13.206 6.551 7.743 1.00 0.81 C ATOM 1203 CD ARG A 75 13.816 5.149 7.965 1.00 1.10 C ATOM 1204 NE ARG A 75 14.984 5.239 8.899 1.00 1.49 N ATOM 1205 CZ ARG A 75 15.903 6.158 8.752 1.00 2.08 C ATOM 1206 NH1 ARG A 75 15.888 6.950 7.716 1.00 2.63 N ATOM 1207 NH2 ARG A 75 16.863 6.259 9.630 1.00 2.72 N ATOM 0 H ARG A 75 12.004 8.344 9.391 1.00 0.48 H new ATOM 0 HA ARG A 75 11.403 8.227 6.547 1.00 0.45 H new ATOM 0 HB2 ARG A 75 11.336 6.096 8.737 1.00 0.52 H new ATOM 0 HB3 ARG A 75 11.316 5.784 7.013 1.00 0.52 H new ATOM 0 HG2 ARG A 75 13.538 6.952 6.785 1.00 0.81 H new ATOM 0 HG3 ARG A 75 13.560 7.235 8.515 1.00 0.81 H new ATOM 0 HD2 ARG A 75 13.063 4.477 8.376 1.00 1.10 H new ATOM 0 HD3 ARG A 75 14.134 4.727 7.012 1.00 1.10 H new ATOM 0 HE ARG A 75 15.064 4.570 9.665 1.00 1.49 H new ATOM 0 HH11 ARG A 75 15.156 6.856 7.012 1.00 2.63 H new ATOM 0 HH12 ARG A 75 16.609 7.664 7.609 1.00 2.63 H new ATOM 0 HH21 ARG A 75 16.894 5.623 10.427 1.00 2.72 H new ATOM 0 HH22 ARG A 75 17.582 6.974 9.520 1.00 2.72 H new ATOM 1221 N ARG A 76 8.942 8.837 8.103 1.00 0.41 N ATOM 1222 CA ARG A 76 7.458 8.847 8.192 1.00 0.47 C ATOM 1223 C ARG A 76 6.872 9.090 6.801 1.00 0.43 C ATOM 1224 O ARG A 76 5.931 8.444 6.388 1.00 0.45 O ATOM 1225 CB ARG A 76 7.013 9.969 9.134 1.00 0.57 C ATOM 1226 CG ARG A 76 7.657 9.773 10.508 1.00 1.08 C ATOM 1227 CD ARG A 76 7.029 10.745 11.509 1.00 1.14 C ATOM 1228 NE ARG A 76 6.967 12.108 10.909 1.00 1.76 N ATOM 1229 CZ ARG A 76 6.206 13.024 11.444 1.00 2.01 C ATOM 1230 NH1 ARG A 76 5.496 12.746 12.503 1.00 1.55 N ATOM 1231 NH2 ARG A 76 6.155 14.217 10.918 1.00 3.05 N ATOM 0 H ARG A 76 9.402 9.675 8.458 1.00 0.41 H new ATOM 0 HA ARG A 76 7.107 7.889 8.576 1.00 0.47 H new ATOM 0 HB2 ARG A 76 7.298 10.937 8.723 1.00 0.57 H new ATOM 0 HB3 ARG A 76 5.927 9.970 9.227 1.00 0.57 H new ATOM 0 HG2 ARG A 76 7.516 8.746 10.845 1.00 1.08 H new ATOM 0 HG3 ARG A 76 8.732 9.943 10.445 1.00 1.08 H new ATOM 0 HD2 ARG A 76 6.028 10.409 11.778 1.00 1.14 H new ATOM 0 HD3 ARG A 76 7.616 10.767 12.427 1.00 1.14 H new ATOM 0 HE ARG A 76 7.520 12.325 10.080 1.00 1.76 H new ATOM 0 HH11 ARG A 76 5.536 11.813 12.913 1.00 1.55 H new ATOM 0 HH12 ARG A 76 4.902 13.462 12.921 1.00 1.55 H new ATOM 0 HH21 ARG A 76 6.709 14.433 10.090 1.00 3.05 H new ATOM 0 HH22 ARG A 76 5.561 14.933 11.335 1.00 3.05 H new ATOM 1245 N ARG A 77 7.426 10.022 6.074 1.00 0.40 N ATOM 1246 CA ARG A 77 6.903 10.313 4.711 1.00 0.43 C ATOM 1247 C ARG A 77 6.963 9.040 3.865 1.00 0.39 C ATOM 1248 O ARG A 77 5.993 8.653 3.243 1.00 0.39 O ATOM 1249 CB ARG A 77 7.753 11.409 4.044 1.00 0.48 C ATOM 1250 CG ARG A 77 7.507 12.787 4.712 1.00 1.10 C ATOM 1251 CD ARG A 77 8.559 13.054 5.797 1.00 1.24 C ATOM 1252 NE ARG A 77 9.903 13.177 5.165 1.00 1.80 N ATOM 1253 CZ ARG A 77 10.895 13.697 5.836 1.00 2.30 C ATOM 1254 NH1 ARG A 77 10.712 14.102 7.062 1.00 2.43 N ATOM 1255 NH2 ARG A 77 12.071 13.810 5.281 1.00 3.22 N ATOM 0 H ARG A 77 8.218 10.594 6.366 1.00 0.40 H new ATOM 0 HA ARG A 77 5.872 10.658 4.788 1.00 0.43 H new ATOM 0 HB2 ARG A 77 8.809 11.149 4.116 1.00 0.48 H new ATOM 0 HB3 ARG A 77 7.511 11.467 2.983 1.00 0.48 H new ATOM 0 HG2 ARG A 77 7.544 13.574 3.959 1.00 1.10 H new ATOM 0 HG3 ARG A 77 6.509 12.812 5.150 1.00 1.10 H new ATOM 0 HD2 ARG A 77 8.315 13.968 6.339 1.00 1.24 H new ATOM 0 HD3 ARG A 77 8.560 12.243 6.525 1.00 1.24 H new ATOM 0 HE ARG A 77 10.048 12.855 4.208 1.00 1.80 H new ATOM 0 HH11 ARG A 77 9.794 14.013 7.497 1.00 2.43 H new ATOM 0 HH12 ARG A 77 11.487 14.508 7.586 1.00 2.43 H new ATOM 0 HH21 ARG A 77 12.215 13.492 4.323 1.00 3.22 H new ATOM 0 HH22 ARG A 77 12.846 14.216 5.806 1.00 3.22 H new ATOM 1269 N GLU A 78 8.089 8.384 3.835 1.00 0.36 N ATOM 1270 CA GLU A 78 8.199 7.138 3.026 1.00 0.36 C ATOM 1271 C GLU A 78 7.196 6.105 3.543 1.00 0.30 C ATOM 1272 O GLU A 78 6.615 5.353 2.784 1.00 0.32 O ATOM 1273 CB GLU A 78 9.615 6.571 3.156 1.00 0.40 C ATOM 1274 CG GLU A 78 10.601 7.466 2.403 1.00 0.91 C ATOM 1275 CD GLU A 78 10.667 8.837 3.078 1.00 1.56 C ATOM 1276 OE1 GLU A 78 10.604 8.879 4.295 1.00 2.33 O ATOM 1277 OE2 GLU A 78 10.781 9.821 2.366 1.00 2.13 O ATOM 0 H GLU A 78 8.936 8.656 4.334 1.00 0.36 H new ATOM 0 HA GLU A 78 7.987 7.364 1.981 1.00 0.36 H new ATOM 0 HB2 GLU A 78 9.896 6.508 4.207 1.00 0.40 H new ATOM 0 HB3 GLU A 78 9.650 5.558 2.755 1.00 0.40 H new ATOM 0 HG2 GLU A 78 11.589 7.007 2.392 1.00 0.91 H new ATOM 0 HG3 GLU A 78 10.289 7.575 1.364 1.00 0.91 H new ATOM 1284 N CYS A 79 6.997 6.055 4.831 1.00 0.27 N ATOM 1285 CA CYS A 79 6.043 5.065 5.405 1.00 0.25 C ATOM 1286 C CYS A 79 4.605 5.462 5.061 1.00 0.23 C ATOM 1287 O CYS A 79 3.837 4.666 4.558 1.00 0.24 O ATOM 1288 CB CYS A 79 6.210 5.026 6.925 1.00 0.29 C ATOM 1289 SG CYS A 79 7.809 4.285 7.337 1.00 1.19 S ATOM 0 H CYS A 79 7.456 6.659 5.513 1.00 0.27 H new ATOM 0 HA CYS A 79 6.251 4.081 4.985 1.00 0.25 H new ATOM 0 HB2 CYS A 79 6.148 6.034 7.334 1.00 0.29 H new ATOM 0 HB3 CYS A 79 5.403 4.449 7.376 1.00 0.29 H new ATOM 0 HG CYS A 79 8.720 5.212 7.376 1.00 1.19 H new ATOM 1295 N LEU A 80 4.233 6.684 5.328 1.00 0.23 N ATOM 1296 CA LEU A 80 2.844 7.123 5.017 1.00 0.23 C ATOM 1297 C LEU A 80 2.547 6.845 3.543 1.00 0.21 C ATOM 1298 O LEU A 80 1.476 6.391 3.190 1.00 0.21 O ATOM 1299 CB LEU A 80 2.707 8.625 5.297 1.00 0.26 C ATOM 1300 CG LEU A 80 2.918 8.902 6.798 1.00 0.27 C ATOM 1301 CD1 LEU A 80 3.255 10.381 7.006 1.00 0.34 C ATOM 1302 CD2 LEU A 80 1.647 8.561 7.588 1.00 0.42 C ATOM 0 H LEU A 80 4.830 7.396 5.748 1.00 0.23 H new ATOM 0 HA LEU A 80 2.137 6.576 5.641 1.00 0.23 H new ATOM 0 HB2 LEU A 80 3.438 9.181 4.710 1.00 0.26 H new ATOM 0 HB3 LEU A 80 1.721 8.972 4.990 1.00 0.26 H new ATOM 0 HG LEU A 80 3.739 8.280 7.155 1.00 0.27 H new ATOM 0 HD11 LEU A 80 3.404 10.574 8.068 1.00 0.34 H new ATOM 0 HD12 LEU A 80 4.167 10.627 6.461 1.00 0.34 H new ATOM 0 HD13 LEU A 80 2.435 10.997 6.637 1.00 0.34 H new ATOM 0 HD21 LEU A 80 1.812 8.762 8.647 1.00 0.42 H new ATOM 0 HD22 LEU A 80 0.819 9.172 7.227 1.00 0.42 H new ATOM 0 HD23 LEU A 80 1.406 7.507 7.452 1.00 0.42 H new ATOM 1314 N TYR A 81 3.489 7.108 2.681 1.00 0.22 N ATOM 1315 CA TYR A 81 3.266 6.853 1.230 1.00 0.23 C ATOM 1316 C TYR A 81 3.214 5.340 0.982 1.00 0.22 C ATOM 1317 O TYR A 81 2.309 4.835 0.347 1.00 0.22 O ATOM 1318 CB TYR A 81 4.420 7.466 0.430 1.00 0.26 C ATOM 1319 CG TYR A 81 4.048 7.538 -1.034 1.00 0.30 C ATOM 1320 CD1 TYR A 81 3.089 8.462 -1.464 1.00 1.26 C ATOM 1321 CD2 TYR A 81 4.662 6.684 -1.960 1.00 1.05 C ATOM 1322 CE1 TYR A 81 2.743 8.534 -2.818 1.00 1.31 C ATOM 1323 CE2 TYR A 81 4.315 6.756 -3.315 1.00 1.04 C ATOM 1324 CZ TYR A 81 3.356 7.681 -3.743 1.00 0.46 C ATOM 1325 OH TYR A 81 3.012 7.753 -5.077 1.00 0.55 O ATOM 0 H TYR A 81 4.405 7.489 2.919 1.00 0.22 H new ATOM 0 HA TYR A 81 2.324 7.303 0.916 1.00 0.23 H new ATOM 0 HB2 TYR A 81 4.646 8.464 0.807 1.00 0.26 H new ATOM 0 HB3 TYR A 81 5.321 6.866 0.556 1.00 0.26 H new ATOM 0 HD1 TYR A 81 2.616 9.120 -0.750 1.00 1.26 H new ATOM 0 HD2 TYR A 81 5.402 5.971 -1.629 1.00 1.05 H new ATOM 0 HE1 TYR A 81 2.003 9.248 -3.149 1.00 1.31 H new ATOM 0 HE2 TYR A 81 4.787 6.098 -4.029 1.00 1.04 H new ATOM 0 HH TYR A 81 3.530 7.094 -5.584 1.00 0.55 H new ATOM 1335 N TYR A 82 4.184 4.618 1.476 1.00 0.23 N ATOM 1336 CA TYR A 82 4.206 3.138 1.270 1.00 0.23 C ATOM 1337 C TYR A 82 2.992 2.491 1.954 1.00 0.22 C ATOM 1338 O TYR A 82 2.450 1.518 1.468 1.00 0.24 O ATOM 1339 CB TYR A 82 5.503 2.564 1.874 1.00 0.25 C ATOM 1340 CG TYR A 82 6.637 2.647 0.870 1.00 0.25 C ATOM 1341 CD1 TYR A 82 6.923 3.859 0.226 1.00 1.30 C ATOM 1342 CD2 TYR A 82 7.408 1.509 0.588 1.00 1.13 C ATOM 1343 CE1 TYR A 82 7.975 3.932 -0.695 1.00 1.33 C ATOM 1344 CE2 TYR A 82 8.458 1.584 -0.334 1.00 1.12 C ATOM 1345 CZ TYR A 82 8.742 2.795 -0.975 1.00 0.31 C ATOM 1346 OH TYR A 82 9.778 2.869 -1.882 1.00 0.36 O ATOM 0 H TYR A 82 4.966 4.990 2.016 1.00 0.23 H new ATOM 0 HA TYR A 82 4.166 2.922 0.202 1.00 0.23 H new ATOM 0 HB2 TYR A 82 5.767 3.116 2.776 1.00 0.25 H new ATOM 0 HB3 TYR A 82 5.346 1.527 2.169 1.00 0.25 H new ATOM 0 HD1 TYR A 82 6.332 4.737 0.440 1.00 1.30 H new ATOM 0 HD2 TYR A 82 7.191 0.574 1.083 1.00 1.13 H new ATOM 0 HE1 TYR A 82 8.195 4.866 -1.190 1.00 1.33 H new ATOM 0 HE2 TYR A 82 9.049 0.707 -0.551 1.00 1.12 H new ATOM 0 HH TYR A 82 10.209 1.992 -1.959 1.00 0.36 H new ATOM 1356 N LEU A 83 2.554 3.012 3.068 1.00 0.21 N ATOM 1357 CA LEU A 83 1.377 2.404 3.747 1.00 0.20 C ATOM 1358 C LEU A 83 0.140 2.633 2.888 1.00 0.20 C ATOM 1359 O LEU A 83 -0.706 1.769 2.771 1.00 0.25 O ATOM 1360 CB LEU A 83 1.183 3.043 5.128 1.00 0.20 C ATOM 1361 CG LEU A 83 2.262 2.531 6.107 1.00 0.22 C ATOM 1362 CD1 LEU A 83 2.420 3.520 7.266 1.00 0.24 C ATOM 1363 CD2 LEU A 83 1.865 1.161 6.679 1.00 0.25 C ATOM 0 H LEU A 83 2.957 3.825 3.533 1.00 0.21 H new ATOM 0 HA LEU A 83 1.539 1.334 3.878 1.00 0.20 H new ATOM 0 HB2 LEU A 83 1.241 4.128 5.046 1.00 0.20 H new ATOM 0 HB3 LEU A 83 0.191 2.805 5.511 1.00 0.20 H new ATOM 0 HG LEU A 83 3.202 2.437 5.562 1.00 0.22 H new ATOM 0 HD11 LEU A 83 3.182 3.155 7.954 1.00 0.24 H new ATOM 0 HD12 LEU A 83 2.719 4.493 6.876 1.00 0.24 H new ATOM 0 HD13 LEU A 83 1.471 3.617 7.794 1.00 0.24 H new ATOM 0 HD21 LEU A 83 2.637 0.816 7.367 1.00 0.25 H new ATOM 0 HD22 LEU A 83 0.918 1.250 7.212 1.00 0.25 H new ATOM 0 HD23 LEU A 83 1.758 0.444 5.865 1.00 0.25 H new ATOM 1375 N THR A 84 0.025 3.773 2.263 1.00 0.19 N ATOM 1376 CA THR A 84 -1.154 4.027 1.396 1.00 0.19 C ATOM 1377 C THR A 84 -1.168 2.997 0.266 1.00 0.22 C ATOM 1378 O THR A 84 -2.198 2.457 -0.087 1.00 0.24 O ATOM 1379 CB THR A 84 -1.030 5.438 0.806 1.00 0.20 C ATOM 1380 OG1 THR A 84 -0.841 6.375 1.859 1.00 0.22 O ATOM 1381 CG2 THR A 84 -2.295 5.801 0.029 1.00 0.18 C ATOM 0 H THR A 84 0.698 4.538 2.317 1.00 0.19 H new ATOM 0 HA THR A 84 -2.076 3.947 1.971 1.00 0.19 H new ATOM 0 HB THR A 84 -0.177 5.464 0.128 1.00 0.20 H new ATOM 0 HG1 THR A 84 0.098 6.366 2.140 1.00 0.22 H new ATOM 0 HG21 THR A 84 -2.193 6.805 -0.384 1.00 0.18 H new ATOM 0 HG22 THR A 84 -2.441 5.088 -0.782 1.00 0.18 H new ATOM 0 HG23 THR A 84 -3.155 5.770 0.698 1.00 0.18 H new ATOM 1389 N ILE A 85 -0.026 2.723 -0.305 1.00 0.23 N ATOM 1390 CA ILE A 85 0.035 1.732 -1.414 1.00 0.27 C ATOM 1391 C ILE A 85 -0.187 0.323 -0.863 1.00 0.29 C ATOM 1392 O ILE A 85 -0.992 -0.432 -1.372 1.00 0.31 O ATOM 1393 CB ILE A 85 1.403 1.807 -2.094 1.00 0.29 C ATOM 1394 CG1 ILE A 85 1.568 3.200 -2.717 1.00 0.31 C ATOM 1395 CG2 ILE A 85 1.486 0.724 -3.180 1.00 0.32 C ATOM 1396 CD1 ILE A 85 2.954 3.331 -3.348 1.00 0.61 C ATOM 0 H ILE A 85 0.867 3.144 -0.050 1.00 0.23 H new ATOM 0 HA ILE A 85 -0.744 1.959 -2.141 1.00 0.27 H new ATOM 0 HB ILE A 85 2.199 1.640 -1.368 1.00 0.29 H new ATOM 0 HG12 ILE A 85 0.799 3.363 -3.472 1.00 0.31 H new ATOM 0 HG13 ILE A 85 1.433 3.967 -1.954 1.00 0.31 H new ATOM 0 HG21 ILE A 85 2.459 0.772 -3.669 1.00 0.32 H new ATOM 0 HG22 ILE A 85 1.357 -0.258 -2.725 1.00 0.32 H new ATOM 0 HG23 ILE A 85 0.701 0.888 -3.918 1.00 0.32 H new ATOM 0 HD11 ILE A 85 3.061 4.323 -3.787 1.00 0.61 H new ATOM 0 HD12 ILE A 85 3.717 3.188 -2.583 1.00 0.61 H new ATOM 0 HD13 ILE A 85 3.073 2.575 -4.124 1.00 0.61 H new ATOM 1408 N GLY A 86 0.517 -0.037 0.174 1.00 0.30 N ATOM 1409 CA GLY A 86 0.341 -1.396 0.754 1.00 0.33 C ATOM 1410 C GLY A 86 -1.083 -1.536 1.288 1.00 0.33 C ATOM 1411 O GLY A 86 -1.652 -2.610 1.292 1.00 0.39 O ATOM 0 H GLY A 86 1.206 0.551 0.644 1.00 0.30 H new ATOM 0 HA2 GLY A 86 0.534 -2.155 -0.004 1.00 0.33 H new ATOM 0 HA3 GLY A 86 1.060 -1.557 1.557 1.00 0.33 H new ATOM 1415 N CYS A 87 -1.665 -0.461 1.743 1.00 0.29 N ATOM 1416 CA CYS A 87 -3.049 -0.538 2.279 1.00 0.30 C ATOM 1417 C CYS A 87 -4.054 -0.607 1.121 1.00 0.35 C ATOM 1418 O CYS A 87 -5.045 -1.307 1.189 1.00 0.42 O ATOM 1419 CB CYS A 87 -3.335 0.701 3.128 1.00 0.29 C ATOM 1420 SG CYS A 87 -2.391 0.607 4.670 1.00 1.29 S ATOM 0 H CYS A 87 -1.241 0.466 1.766 1.00 0.29 H new ATOM 0 HA CYS A 87 -3.147 -1.434 2.893 1.00 0.30 H new ATOM 0 HB2 CYS A 87 -3.065 1.602 2.578 1.00 0.29 H new ATOM 0 HB3 CYS A 87 -4.401 0.768 3.345 1.00 0.29 H new ATOM 0 HG CYS A 87 -1.201 1.096 4.481 1.00 1.29 H new ATOM 1426 N TYR A 88 -3.810 0.124 0.064 1.00 0.33 N ATOM 1427 CA TYR A 88 -4.752 0.118 -1.094 1.00 0.40 C ATOM 1428 C TYR A 88 -4.971 -1.317 -1.587 1.00 0.43 C ATOM 1429 O TYR A 88 -6.053 -1.682 -2.004 1.00 0.52 O ATOM 1430 CB TYR A 88 -4.151 0.971 -2.217 1.00 0.46 C ATOM 1431 CG TYR A 88 -4.982 0.836 -3.469 1.00 0.48 C ATOM 1432 CD1 TYR A 88 -6.070 1.690 -3.682 1.00 1.37 C ATOM 1433 CD2 TYR A 88 -4.662 -0.141 -4.418 1.00 1.24 C ATOM 1434 CE1 TYR A 88 -6.838 1.568 -4.845 1.00 1.37 C ATOM 1435 CE2 TYR A 88 -5.430 -0.264 -5.581 1.00 1.28 C ATOM 1436 CZ TYR A 88 -6.518 0.590 -5.795 1.00 0.59 C ATOM 1437 OH TYR A 88 -7.274 0.471 -6.944 1.00 0.66 O ATOM 0 H TYR A 88 -2.995 0.727 -0.047 1.00 0.33 H new ATOM 0 HA TYR A 88 -5.715 0.529 -0.790 1.00 0.40 H new ATOM 0 HB2 TYR A 88 -4.110 2.016 -1.909 1.00 0.46 H new ATOM 0 HB3 TYR A 88 -3.126 0.656 -2.415 1.00 0.46 H new ATOM 0 HD1 TYR A 88 -6.317 2.443 -2.949 1.00 1.37 H new ATOM 0 HD2 TYR A 88 -3.822 -0.800 -4.253 1.00 1.24 H new ATOM 0 HE1 TYR A 88 -7.677 2.228 -5.010 1.00 1.37 H new ATOM 0 HE2 TYR A 88 -5.183 -1.018 -6.314 1.00 1.28 H new ATOM 0 HH TYR A 88 -6.917 -0.255 -7.497 1.00 0.66 H new ATOM 1447 N LYS A 89 -3.951 -2.129 -1.546 1.00 0.43 N ATOM 1448 CA LYS A 89 -4.103 -3.537 -2.017 1.00 0.51 C ATOM 1449 C LYS A 89 -5.012 -4.304 -1.053 1.00 0.36 C ATOM 1450 O LYS A 89 -5.624 -5.288 -1.416 1.00 0.37 O ATOM 1451 CB LYS A 89 -2.731 -4.209 -2.100 1.00 0.70 C ATOM 1452 CG LYS A 89 -1.920 -3.571 -3.235 1.00 1.00 C ATOM 1453 CD LYS A 89 -0.718 -4.453 -3.571 1.00 1.24 C ATOM 1454 CE LYS A 89 0.082 -3.806 -4.705 1.00 1.56 C ATOM 1455 NZ LYS A 89 1.148 -4.741 -5.162 1.00 2.05 N ATOM 0 H LYS A 89 -3.021 -1.881 -1.208 1.00 0.43 H new ATOM 0 HA LYS A 89 -4.554 -3.541 -3.009 1.00 0.51 H new ATOM 0 HB2 LYS A 89 -2.202 -4.099 -1.153 1.00 0.70 H new ATOM 0 HB3 LYS A 89 -2.847 -5.278 -2.278 1.00 0.70 H new ATOM 0 HG2 LYS A 89 -2.548 -3.445 -4.117 1.00 1.00 H new ATOM 0 HG3 LYS A 89 -1.583 -2.578 -2.939 1.00 1.00 H new ATOM 0 HD2 LYS A 89 -0.087 -4.579 -2.691 1.00 1.24 H new ATOM 0 HD3 LYS A 89 -1.053 -5.447 -3.868 1.00 1.24 H new ATOM 0 HE2 LYS A 89 -0.580 -3.559 -5.535 1.00 1.56 H new ATOM 0 HE3 LYS A 89 0.526 -2.871 -4.363 1.00 1.56 H new ATOM 0 HZ1 LYS A 89 1.998 -4.199 -5.420 1.00 2.05 H new ATOM 0 HZ2 LYS A 89 1.380 -5.405 -4.396 1.00 2.05 H new ATOM 0 HZ3 LYS A 89 0.812 -5.273 -5.990 1.00 2.05 H new ATOM 1469 N LEU A 90 -5.125 -3.844 0.165 1.00 0.32 N ATOM 1470 CA LEU A 90 -6.018 -4.520 1.156 1.00 0.47 C ATOM 1471 C LEU A 90 -7.313 -3.715 1.261 1.00 0.56 C ATOM 1472 O LEU A 90 -8.034 -3.820 2.230 1.00 0.89 O ATOM 1473 CB LEU A 90 -5.351 -4.533 2.537 1.00 0.55 C ATOM 1474 CG LEU A 90 -3.930 -5.095 2.445 1.00 0.57 C ATOM 1475 CD1 LEU A 90 -3.254 -4.975 3.815 1.00 0.71 C ATOM 1476 CD2 LEU A 90 -3.985 -6.568 2.030 1.00 0.56 C ATOM 0 H LEU A 90 -4.634 -3.023 0.520 1.00 0.32 H new ATOM 0 HA LEU A 90 -6.213 -5.543 0.833 1.00 0.47 H new ATOM 0 HB2 LEU A 90 -5.322 -3.522 2.942 1.00 0.55 H new ATOM 0 HB3 LEU A 90 -5.942 -5.136 3.226 1.00 0.55 H new ATOM 0 HG LEU A 90 -3.362 -4.534 1.703 1.00 0.57 H new ATOM 0 HD11 LEU A 90 -2.241 -5.374 3.757 1.00 0.71 H new ATOM 0 HD12 LEU A 90 -3.215 -3.927 4.111 1.00 0.71 H new ATOM 0 HD13 LEU A 90 -3.824 -5.539 4.553 1.00 0.71 H new ATOM 0 HD21 LEU A 90 -2.972 -6.966 1.965 1.00 0.56 H new ATOM 0 HD22 LEU A 90 -4.550 -7.134 2.770 1.00 0.56 H new ATOM 0 HD23 LEU A 90 -4.472 -6.654 1.058 1.00 0.56 H new ATOM 1488 N GLY A 91 -7.589 -2.881 0.290 1.00 0.56 N ATOM 1489 CA GLY A 91 -8.802 -2.009 0.331 1.00 0.91 C ATOM 1490 C GLY A 91 -9.129 -1.540 1.747 1.00 0.69 C ATOM 1491 O GLY A 91 -10.256 -1.196 2.048 1.00 0.69 O ATOM 0 H GLY A 91 -7.014 -2.766 -0.544 1.00 0.56 H new ATOM 0 HA2 GLY A 91 -8.645 -1.141 -0.310 1.00 0.91 H new ATOM 0 HA3 GLY A 91 -9.654 -2.555 -0.075 1.00 0.91 H new ATOM 1495 N GLU A 92 -8.149 -1.431 2.592 1.00 0.54 N ATOM 1496 CA GLU A 92 -8.406 -0.876 3.946 1.00 0.42 C ATOM 1497 C GLU A 92 -8.374 0.643 3.768 1.00 0.34 C ATOM 1498 O GLU A 92 -7.727 1.356 4.507 1.00 0.39 O ATOM 1499 CB GLU A 92 -7.283 -1.297 4.901 1.00 0.44 C ATOM 1500 CG GLU A 92 -7.473 -2.751 5.334 1.00 0.55 C ATOM 1501 CD GLU A 92 -8.694 -2.864 6.248 1.00 1.42 C ATOM 1502 OE1 GLU A 92 -8.692 -2.229 7.290 1.00 2.06 O ATOM 1503 OE2 GLU A 92 -9.610 -3.586 5.892 1.00 2.18 O ATOM 0 H GLU A 92 -7.183 -1.701 2.406 1.00 0.54 H new ATOM 0 HA GLU A 92 -9.351 -1.228 4.359 1.00 0.42 H new ATOM 0 HB2 GLU A 92 -6.316 -1.180 4.411 1.00 0.44 H new ATOM 0 HB3 GLU A 92 -7.278 -0.647 5.776 1.00 0.44 H new ATOM 0 HG2 GLU A 92 -7.603 -3.387 4.458 1.00 0.55 H new ATOM 0 HG3 GLU A 92 -6.583 -3.104 5.855 1.00 0.55 H new ATOM 1510 N TYR A 93 -9.008 1.127 2.726 1.00 0.33 N ATOM 1511 CA TYR A 93 -8.951 2.587 2.418 1.00 0.31 C ATOM 1512 C TYR A 93 -9.165 3.453 3.666 1.00 0.25 C ATOM 1513 O TYR A 93 -8.862 4.630 3.643 1.00 0.27 O ATOM 1514 CB TYR A 93 -9.990 2.974 1.355 1.00 0.41 C ATOM 1515 CG TYR A 93 -10.088 1.924 0.268 1.00 0.53 C ATOM 1516 CD1 TYR A 93 -9.091 1.829 -0.710 1.00 1.28 C ATOM 1517 CD2 TYR A 93 -11.196 1.065 0.221 1.00 1.42 C ATOM 1518 CE1 TYR A 93 -9.198 0.874 -1.730 1.00 1.35 C ATOM 1519 CE2 TYR A 93 -11.305 0.113 -0.799 1.00 1.57 C ATOM 1520 CZ TYR A 93 -10.306 0.017 -1.775 1.00 0.95 C ATOM 1521 OH TYR A 93 -10.413 -0.921 -2.781 1.00 1.19 O ATOM 0 H TYR A 93 -9.563 0.570 2.076 1.00 0.33 H new ATOM 0 HA TYR A 93 -7.949 2.776 2.033 1.00 0.31 H new ATOM 0 HB2 TYR A 93 -10.964 3.103 1.827 1.00 0.41 H new ATOM 0 HB3 TYR A 93 -9.720 3.933 0.913 1.00 0.41 H new ATOM 0 HD1 TYR A 93 -8.239 2.492 -0.678 1.00 1.28 H new ATOM 0 HD2 TYR A 93 -11.967 1.138 0.974 1.00 1.42 H new ATOM 0 HE1 TYR A 93 -8.426 0.798 -2.482 1.00 1.35 H new ATOM 0 HE2 TYR A 93 -12.159 -0.547 -0.833 1.00 1.57 H new ATOM 0 HH TYR A 93 -11.240 -1.433 -2.664 1.00 1.19 H new ATOM 1531 N SER A 94 -9.648 2.934 4.761 1.00 0.24 N ATOM 1532 CA SER A 94 -9.814 3.817 5.952 1.00 0.28 C ATOM 1533 C SER A 94 -8.434 4.169 6.494 1.00 0.29 C ATOM 1534 O SER A 94 -8.168 5.290 6.880 1.00 0.39 O ATOM 1535 CB SER A 94 -10.615 3.085 7.032 1.00 0.30 C ATOM 1536 OG SER A 94 -9.886 1.946 7.473 1.00 1.12 O ATOM 0 H SER A 94 -9.929 1.961 4.884 1.00 0.24 H new ATOM 0 HA SER A 94 -10.348 4.724 5.668 1.00 0.28 H new ATOM 0 HB2 SER A 94 -10.809 3.753 7.871 1.00 0.30 H new ATOM 0 HB3 SER A 94 -11.584 2.779 6.637 1.00 0.30 H new ATOM 0 HG SER A 94 -9.228 2.219 8.146 1.00 1.12 H new ATOM 1542 N MET A 95 -7.552 3.215 6.511 1.00 0.27 N ATOM 1543 CA MET A 95 -6.179 3.478 7.012 1.00 0.36 C ATOM 1544 C MET A 95 -5.403 4.254 5.950 1.00 0.26 C ATOM 1545 O MET A 95 -4.735 5.227 6.239 1.00 0.26 O ATOM 1546 CB MET A 95 -5.484 2.146 7.289 1.00 0.48 C ATOM 1547 CG MET A 95 -6.437 1.220 8.046 1.00 0.81 C ATOM 1548 SD MET A 95 -7.074 2.061 9.516 1.00 1.25 S ATOM 1549 CE MET A 95 -5.484 2.331 10.330 1.00 0.83 C ATOM 0 H MET A 95 -7.723 2.259 6.198 1.00 0.27 H new ATOM 0 HA MET A 95 -6.221 4.062 7.931 1.00 0.36 H new ATOM 0 HB2 MET A 95 -5.177 1.682 6.352 1.00 0.48 H new ATOM 0 HB3 MET A 95 -4.579 2.311 7.874 1.00 0.48 H new ATOM 0 HG2 MET A 95 -7.263 0.925 7.398 1.00 0.81 H new ATOM 0 HG3 MET A 95 -5.917 0.307 8.335 1.00 0.81 H new ATOM 0 HE1 MET A 95 -5.615 2.280 11.411 1.00 0.83 H new ATOM 0 HE2 MET A 95 -4.778 1.563 10.013 1.00 0.83 H new ATOM 0 HE3 MET A 95 -5.098 3.313 10.057 1.00 0.83 H new ATOM 1559 N ALA A 96 -5.495 3.833 4.719 1.00 0.23 N ATOM 1560 CA ALA A 96 -4.775 4.545 3.631 1.00 0.20 C ATOM 1561 C ALA A 96 -5.244 6.003 3.596 1.00 0.18 C ATOM 1562 O ALA A 96 -4.452 6.918 3.492 1.00 0.19 O ATOM 1563 CB ALA A 96 -5.084 3.867 2.292 1.00 0.23 C ATOM 0 H ALA A 96 -6.040 3.024 4.421 1.00 0.23 H new ATOM 0 HA ALA A 96 -3.700 4.512 3.809 1.00 0.20 H new ATOM 0 HB1 ALA A 96 -4.558 4.386 1.491 1.00 0.23 H new ATOM 0 HB2 ALA A 96 -4.757 2.828 2.327 1.00 0.23 H new ATOM 0 HB3 ALA A 96 -6.157 3.904 2.105 1.00 0.23 H new ATOM 1569 N LYS A 97 -6.531 6.222 3.675 1.00 0.19 N ATOM 1570 CA LYS A 97 -7.058 7.617 3.639 1.00 0.21 C ATOM 1571 C LYS A 97 -6.458 8.442 4.775 1.00 0.21 C ATOM 1572 O LYS A 97 -6.014 9.553 4.568 1.00 0.22 O ATOM 1573 CB LYS A 97 -8.586 7.603 3.788 1.00 0.29 C ATOM 1574 CG LYS A 97 -9.104 9.044 3.930 1.00 0.44 C ATOM 1575 CD LYS A 97 -10.625 9.079 3.761 1.00 0.78 C ATOM 1576 CE LYS A 97 -11.294 8.343 4.926 1.00 1.07 C ATOM 1577 NZ LYS A 97 -12.744 8.683 4.954 1.00 2.10 N ATOM 0 H LYS A 97 -7.240 5.494 3.763 1.00 0.19 H new ATOM 0 HA LYS A 97 -6.783 8.063 2.683 1.00 0.21 H new ATOM 0 HB2 LYS A 97 -9.042 7.126 2.920 1.00 0.29 H new ATOM 0 HB3 LYS A 97 -8.871 7.016 4.661 1.00 0.29 H new ATOM 0 HG2 LYS A 97 -8.830 9.442 4.907 1.00 0.44 H new ATOM 0 HG3 LYS A 97 -8.633 9.683 3.183 1.00 0.44 H new ATOM 0 HD2 LYS A 97 -10.972 10.112 3.724 1.00 0.78 H new ATOM 0 HD3 LYS A 97 -10.906 8.614 2.816 1.00 0.78 H new ATOM 0 HE2 LYS A 97 -11.163 7.267 4.815 1.00 1.07 H new ATOM 0 HE3 LYS A 97 -10.824 8.626 5.868 1.00 1.07 H new ATOM 0 HZ1 LYS A 97 -13.202 8.185 5.744 1.00 2.10 H new ATOM 0 HZ2 LYS A 97 -12.858 9.709 5.079 1.00 2.10 H new ATOM 0 HZ3 LYS A 97 -13.186 8.392 4.059 1.00 2.10 H new ATOM 1591 N ARG A 98 -6.462 7.947 5.981 1.00 0.22 N ATOM 1592 CA ARG A 98 -5.912 8.757 7.106 1.00 0.25 C ATOM 1593 C ARG A 98 -4.413 9.017 6.917 1.00 0.20 C ATOM 1594 O ARG A 98 -3.931 10.097 7.193 1.00 0.21 O ATOM 1595 CB ARG A 98 -6.135 8.003 8.421 1.00 0.33 C ATOM 1596 CG ARG A 98 -7.624 8.032 8.783 1.00 1.18 C ATOM 1597 CD ARG A 98 -7.879 7.115 9.981 1.00 1.28 C ATOM 1598 NE ARG A 98 -6.974 7.496 11.102 1.00 1.90 N ATOM 1599 CZ ARG A 98 -7.212 7.063 12.310 1.00 2.29 C ATOM 1600 NH1 ARG A 98 -8.244 6.297 12.537 1.00 2.29 N ATOM 1601 NH2 ARG A 98 -6.419 7.398 13.291 1.00 3.20 N ATOM 0 H ARG A 98 -6.818 7.026 6.236 1.00 0.22 H new ATOM 0 HA ARG A 98 -6.426 9.718 7.127 1.00 0.25 H new ATOM 0 HB2 ARG A 98 -5.794 6.972 8.323 1.00 0.33 H new ATOM 0 HB3 ARG A 98 -5.548 8.459 9.218 1.00 0.33 H new ATOM 0 HG2 ARG A 98 -7.931 9.051 9.020 1.00 1.18 H new ATOM 0 HG3 ARG A 98 -8.222 7.709 7.931 1.00 1.18 H new ATOM 0 HD2 ARG A 98 -8.919 7.193 10.297 1.00 1.28 H new ATOM 0 HD3 ARG A 98 -7.709 6.076 9.699 1.00 1.28 H new ATOM 0 HE ARG A 98 -6.168 8.096 10.925 1.00 1.90 H new ATOM 0 HH11 ARG A 98 -8.864 6.037 11.770 1.00 2.29 H new ATOM 0 HH12 ARG A 98 -8.430 5.959 13.481 1.00 2.29 H new ATOM 0 HH21 ARG A 98 -5.614 7.998 13.113 1.00 3.20 H new ATOM 0 HH22 ARG A 98 -6.605 7.060 14.235 1.00 3.20 H new ATOM 1615 N TYR A 99 -3.663 8.047 6.469 1.00 0.21 N ATOM 1616 CA TYR A 99 -2.200 8.283 6.299 1.00 0.22 C ATOM 1617 C TYR A 99 -1.953 9.227 5.116 1.00 0.19 C ATOM 1618 O TYR A 99 -1.251 10.210 5.238 1.00 0.21 O ATOM 1619 CB TYR A 99 -1.471 6.955 6.045 1.00 0.27 C ATOM 1620 CG TYR A 99 -1.498 6.067 7.282 1.00 0.29 C ATOM 1621 CD1 TYR A 99 -0.987 6.530 8.508 1.00 1.17 C ATOM 1622 CD2 TYR A 99 -2.017 4.764 7.197 1.00 1.32 C ATOM 1623 CE1 TYR A 99 -1.001 5.698 9.633 1.00 1.18 C ATOM 1624 CE2 TYR A 99 -2.024 3.936 8.327 1.00 1.34 C ATOM 1625 CZ TYR A 99 -1.518 4.403 9.542 1.00 0.40 C ATOM 1626 OH TYR A 99 -1.525 3.583 10.651 1.00 0.47 O ATOM 0 H TYR A 99 -3.993 7.115 6.217 1.00 0.21 H new ATOM 0 HA TYR A 99 -1.816 8.736 7.213 1.00 0.22 H new ATOM 0 HB2 TYR A 99 -1.939 6.434 5.210 1.00 0.27 H new ATOM 0 HB3 TYR A 99 -0.438 7.153 5.759 1.00 0.27 H new ATOM 0 HD1 TYR A 99 -0.583 7.529 8.581 1.00 1.17 H new ATOM 0 HD2 TYR A 99 -2.411 4.400 6.259 1.00 1.32 H new ATOM 0 HE1 TYR A 99 -0.611 6.058 10.574 1.00 1.18 H new ATOM 0 HE2 TYR A 99 -2.422 2.934 8.258 1.00 1.34 H new ATOM 0 HH TYR A 99 -1.920 2.718 10.415 1.00 0.47 H new ATOM 1636 N VAL A 100 -2.512 8.939 3.971 1.00 0.18 N ATOM 1637 CA VAL A 100 -2.281 9.834 2.798 1.00 0.19 C ATOM 1638 C VAL A 100 -2.840 11.228 3.109 1.00 0.21 C ATOM 1639 O VAL A 100 -2.293 12.232 2.700 1.00 0.22 O ATOM 1640 CB VAL A 100 -2.953 9.243 1.544 1.00 0.19 C ATOM 1641 CG1 VAL A 100 -4.462 9.520 1.559 1.00 0.22 C ATOM 1642 CG2 VAL A 100 -2.335 9.871 0.289 1.00 0.20 C ATOM 0 H VAL A 100 -3.112 8.133 3.797 1.00 0.18 H new ATOM 0 HA VAL A 100 -1.212 9.917 2.603 1.00 0.19 H new ATOM 0 HB VAL A 100 -2.793 8.165 1.538 1.00 0.19 H new ATOM 0 HG11 VAL A 100 -4.919 9.095 0.665 1.00 0.22 H new ATOM 0 HG12 VAL A 100 -4.906 9.066 2.445 1.00 0.22 H new ATOM 0 HG13 VAL A 100 -4.634 10.596 1.578 1.00 0.22 H new ATOM 0 HG21 VAL A 100 -2.810 9.453 -0.599 1.00 0.20 H new ATOM 0 HG22 VAL A 100 -2.488 10.950 0.309 1.00 0.20 H new ATOM 0 HG23 VAL A 100 -1.267 9.657 0.263 1.00 0.20 H new ATOM 1652 N ASP A 101 -3.923 11.294 3.835 1.00 0.23 N ATOM 1653 CA ASP A 101 -4.512 12.620 4.178 1.00 0.27 C ATOM 1654 C ASP A 101 -3.464 13.470 4.900 1.00 0.26 C ATOM 1655 O ASP A 101 -3.270 14.629 4.593 1.00 0.29 O ATOM 1656 CB ASP A 101 -5.720 12.419 5.097 1.00 0.30 C ATOM 1657 CG ASP A 101 -6.270 13.780 5.526 1.00 0.97 C ATOM 1658 OD1 ASP A 101 -6.689 14.528 4.658 1.00 1.60 O ATOM 1659 OD2 ASP A 101 -6.264 14.052 6.716 1.00 1.79 O ATOM 0 H ASP A 101 -4.425 10.487 4.205 1.00 0.23 H new ATOM 0 HA ASP A 101 -4.827 13.125 3.265 1.00 0.27 H new ATOM 0 HB2 ASP A 101 -6.492 11.850 4.580 1.00 0.30 H new ATOM 0 HB3 ASP A 101 -5.430 11.840 5.974 1.00 0.30 H new ATOM 1664 N THR A 102 -2.789 12.900 5.862 1.00 0.25 N ATOM 1665 CA THR A 102 -1.754 13.668 6.611 1.00 0.26 C ATOM 1666 C THR A 102 -0.613 14.051 5.663 1.00 0.26 C ATOM 1667 O THR A 102 -0.091 15.147 5.715 1.00 0.27 O ATOM 1668 CB THR A 102 -1.210 12.797 7.751 1.00 0.27 C ATOM 1669 OG1 THR A 102 -2.222 12.624 8.733 1.00 0.32 O ATOM 1670 CG2 THR A 102 0.010 13.468 8.389 1.00 0.29 C ATOM 0 H THR A 102 -2.911 11.933 6.162 1.00 0.25 H new ATOM 0 HA THR A 102 -2.195 14.576 7.023 1.00 0.26 H new ATOM 0 HB THR A 102 -0.914 11.827 7.351 1.00 0.27 H new ATOM 0 HG1 THR A 102 -1.878 12.067 9.462 1.00 0.32 H new ATOM 0 HG21 THR A 102 0.389 12.842 9.197 1.00 0.29 H new ATOM 0 HG22 THR A 102 0.788 13.599 7.637 1.00 0.29 H new ATOM 0 HG23 THR A 102 -0.277 14.441 8.788 1.00 0.29 H new ATOM 1678 N LEU A 103 -0.218 13.151 4.806 1.00 0.25 N ATOM 1679 CA LEU A 103 0.893 13.457 3.862 1.00 0.27 C ATOM 1680 C LEU A 103 0.462 14.559 2.891 1.00 0.29 C ATOM 1681 O LEU A 103 1.192 15.500 2.649 1.00 0.31 O ATOM 1682 CB LEU A 103 1.254 12.191 3.074 1.00 0.29 C ATOM 1683 CG LEU A 103 2.531 12.422 2.241 1.00 0.34 C ATOM 1684 CD1 LEU A 103 3.780 12.303 3.125 1.00 0.36 C ATOM 1685 CD2 LEU A 103 2.607 11.373 1.128 1.00 0.41 C ATOM 0 H LEU A 103 -0.617 12.216 4.718 1.00 0.25 H new ATOM 0 HA LEU A 103 1.761 13.798 4.426 1.00 0.27 H new ATOM 0 HB2 LEU A 103 1.406 11.358 3.761 1.00 0.29 H new ATOM 0 HB3 LEU A 103 0.429 11.916 2.417 1.00 0.29 H new ATOM 0 HG LEU A 103 2.492 13.424 1.813 1.00 0.34 H new ATOM 0 HD11 LEU A 103 4.671 12.469 2.520 1.00 0.36 H new ATOM 0 HD12 LEU A 103 3.736 13.049 3.919 1.00 0.36 H new ATOM 0 HD13 LEU A 103 3.821 11.307 3.565 1.00 0.36 H new ATOM 0 HD21 LEU A 103 3.509 11.534 0.537 1.00 0.41 H new ATOM 0 HD22 LEU A 103 2.635 10.376 1.569 1.00 0.41 H new ATOM 0 HD23 LEU A 103 1.732 11.461 0.485 1.00 0.41 H new ATOM 1697 N PHE A 104 -0.704 14.450 2.315 1.00 0.29 N ATOM 1698 CA PHE A 104 -1.142 15.496 1.349 1.00 0.32 C ATOM 1699 C PHE A 104 -1.223 16.851 2.058 1.00 0.37 C ATOM 1700 O PHE A 104 -0.982 17.886 1.468 1.00 0.41 O ATOM 1701 CB PHE A 104 -2.511 15.128 0.767 1.00 0.33 C ATOM 1702 CG PHE A 104 -3.010 16.256 -0.110 1.00 0.40 C ATOM 1703 CD1 PHE A 104 -2.389 16.512 -1.339 1.00 1.17 C ATOM 1704 CD2 PHE A 104 -4.090 17.047 0.305 1.00 1.23 C ATOM 1705 CE1 PHE A 104 -2.846 17.556 -2.152 1.00 1.19 C ATOM 1706 CE2 PHE A 104 -4.548 18.091 -0.509 1.00 1.29 C ATOM 1707 CZ PHE A 104 -3.926 18.345 -1.737 1.00 0.60 C ATOM 0 H PHE A 104 -1.366 13.690 2.469 1.00 0.29 H new ATOM 0 HA PHE A 104 -0.418 15.560 0.537 1.00 0.32 H new ATOM 0 HB2 PHE A 104 -2.435 14.209 0.186 1.00 0.33 H new ATOM 0 HB3 PHE A 104 -3.221 14.939 1.572 1.00 0.33 H new ATOM 0 HD1 PHE A 104 -1.557 15.903 -1.660 1.00 1.17 H new ATOM 0 HD2 PHE A 104 -4.569 16.852 1.253 1.00 1.23 H new ATOM 0 HE1 PHE A 104 -2.366 17.753 -3.099 1.00 1.19 H new ATOM 0 HE2 PHE A 104 -5.381 18.700 -0.189 1.00 1.29 H new ATOM 0 HZ PHE A 104 -4.279 19.150 -2.365 1.00 0.60 H new ATOM 1717 N GLU A 105 -1.554 16.857 3.320 1.00 0.42 N ATOM 1718 CA GLU A 105 -1.643 18.148 4.056 1.00 0.52 C ATOM 1719 C GLU A 105 -0.283 18.846 4.005 1.00 0.56 C ATOM 1720 O GLU A 105 -0.209 20.050 3.858 1.00 0.61 O ATOM 1721 CB GLU A 105 -2.043 17.874 5.509 1.00 0.58 C ATOM 1722 CG GLU A 105 -2.524 19.166 6.165 1.00 1.20 C ATOM 1723 CD GLU A 105 -3.067 18.853 7.559 1.00 1.75 C ATOM 1724 OE1 GLU A 105 -3.069 17.689 7.925 1.00 2.31 O ATOM 1725 OE2 GLU A 105 -3.473 19.782 8.236 1.00 2.47 O ATOM 0 H GLU A 105 -1.766 16.026 3.872 1.00 0.42 H new ATOM 0 HA GLU A 105 -2.393 18.791 3.597 1.00 0.52 H new ATOM 0 HB2 GLU A 105 -2.832 17.122 5.543 1.00 0.58 H new ATOM 0 HB3 GLU A 105 -1.194 17.470 6.060 1.00 0.58 H new ATOM 0 HG2 GLU A 105 -1.703 19.880 6.234 1.00 1.20 H new ATOM 0 HG3 GLU A 105 -3.300 19.630 5.556 1.00 1.20 H new ATOM 1838 N GLN A 112 2.022 13.012 -7.841 1.00 0.54 N ATOM 1839 CA GLN A 112 1.816 11.550 -7.626 1.00 0.49 C ATOM 1840 C GLN A 112 1.030 11.344 -6.335 1.00 0.39 C ATOM 1841 O GLN A 112 0.293 10.390 -6.184 1.00 0.37 O ATOM 1842 CB GLN A 112 3.176 10.856 -7.511 1.00 0.54 C ATOM 1843 CG GLN A 112 3.844 10.805 -8.886 1.00 1.05 C ATOM 1844 CD GLN A 112 4.178 12.225 -9.346 1.00 1.82 C ATOM 1845 OE1 GLN A 112 3.342 12.860 -10.121 1.00 2.54 O flip ATOM 1846 NE2 GLN A 112 5.210 12.762 -8.997 1.00 2.56 N flip ATOM 0 HA GLN A 112 1.264 11.127 -8.465 1.00 0.49 H new ATOM 0 HB2 GLN A 112 3.811 11.393 -6.807 1.00 0.54 H new ATOM 0 HB3 GLN A 112 3.049 9.847 -7.120 1.00 0.54 H new ATOM 0 HG2 GLN A 112 4.752 10.204 -8.838 1.00 1.05 H new ATOM 0 HG3 GLN A 112 3.181 10.325 -9.606 1.00 1.05 H new ATOM 0 HE21 GLN A 112 5.864 12.266 -8.391 1.00 2.56 H new ATOM 0 HE22 GLN A 112 5.423 13.709 -9.310 1.00 2.56 H new ATOM 1855 N VAL A 113 1.176 12.245 -5.408 1.00 0.37 N ATOM 1856 CA VAL A 113 0.435 12.129 -4.124 1.00 0.32 C ATOM 1857 C VAL A 113 -1.025 12.478 -4.389 1.00 0.32 C ATOM 1858 O VAL A 113 -1.932 11.774 -3.993 1.00 0.30 O ATOM 1859 CB VAL A 113 1.017 13.112 -3.104 1.00 0.35 C ATOM 1860 CG1 VAL A 113 0.229 13.022 -1.796 1.00 0.41 C ATOM 1861 CG2 VAL A 113 2.484 12.764 -2.839 1.00 0.40 C ATOM 0 H VAL A 113 1.781 13.063 -5.485 1.00 0.37 H new ATOM 0 HA VAL A 113 0.520 11.117 -3.728 1.00 0.32 H new ATOM 0 HB VAL A 113 0.948 14.125 -3.499 1.00 0.35 H new ATOM 0 HG11 VAL A 113 0.645 13.722 -1.072 1.00 0.41 H new ATOM 0 HG12 VAL A 113 -0.816 13.271 -1.983 1.00 0.41 H new ATOM 0 HG13 VAL A 113 0.295 12.009 -1.400 1.00 0.41 H new ATOM 0 HG21 VAL A 113 2.898 13.464 -2.113 1.00 0.40 H new ATOM 0 HG22 VAL A 113 2.552 11.750 -2.445 1.00 0.40 H new ATOM 0 HG23 VAL A 113 3.048 12.831 -3.770 1.00 0.40 H new ATOM 1871 N GLY A 114 -1.248 13.568 -5.067 1.00 0.37 N ATOM 1872 CA GLY A 114 -2.644 13.978 -5.378 1.00 0.40 C ATOM 1873 C GLY A 114 -3.324 12.853 -6.158 1.00 0.38 C ATOM 1874 O GLY A 114 -4.497 12.584 -5.992 1.00 0.38 O ATOM 0 H GLY A 114 -0.523 14.193 -5.419 1.00 0.37 H new ATOM 0 HA2 GLY A 114 -3.191 14.184 -4.458 1.00 0.40 H new ATOM 0 HA3 GLY A 114 -2.646 14.898 -5.963 1.00 0.40 H new ATOM 1878 N ALA A 115 -2.586 12.193 -7.006 1.00 0.38 N ATOM 1879 CA ALA A 115 -3.167 11.080 -7.805 1.00 0.38 C ATOM 1880 C ALA A 115 -3.308 9.828 -6.926 1.00 0.33 C ATOM 1881 O ALA A 115 -4.348 9.195 -6.907 1.00 0.34 O ATOM 1882 CB ALA A 115 -2.254 10.791 -8.999 1.00 0.43 C ATOM 0 H ALA A 115 -1.598 12.379 -7.181 1.00 0.38 H new ATOM 0 HA ALA A 115 -4.155 11.362 -8.168 1.00 0.38 H new ATOM 0 HB1 ALA A 115 -2.674 9.976 -9.589 1.00 0.43 H new ATOM 0 HB2 ALA A 115 -2.173 11.684 -9.619 1.00 0.43 H new ATOM 0 HB3 ALA A 115 -1.265 10.507 -8.640 1.00 0.43 H new ATOM 1888 N LEU A 116 -2.296 9.460 -6.192 1.00 0.31 N ATOM 1889 CA LEU A 116 -2.439 8.252 -5.333 1.00 0.29 C ATOM 1890 C LEU A 116 -3.624 8.465 -4.391 1.00 0.26 C ATOM 1891 O LEU A 116 -4.470 7.605 -4.229 1.00 0.25 O ATOM 1892 CB LEU A 116 -1.160 8.033 -4.515 1.00 0.32 C ATOM 1893 CG LEU A 116 -1.317 6.808 -3.597 1.00 0.27 C ATOM 1894 CD1 LEU A 116 -1.579 5.545 -4.434 1.00 0.49 C ATOM 1895 CD2 LEU A 116 -0.032 6.625 -2.782 1.00 0.68 C ATOM 0 H LEU A 116 -1.393 9.932 -6.149 1.00 0.31 H new ATOM 0 HA LEU A 116 -2.607 7.373 -5.956 1.00 0.29 H new ATOM 0 HB2 LEU A 116 -0.312 7.888 -5.185 1.00 0.32 H new ATOM 0 HB3 LEU A 116 -0.946 8.919 -3.917 1.00 0.32 H new ATOM 0 HG LEU A 116 -2.163 6.967 -2.928 1.00 0.27 H new ATOM 0 HD11 LEU A 116 -1.688 4.686 -3.772 1.00 0.49 H new ATOM 0 HD12 LEU A 116 -2.493 5.675 -5.013 1.00 0.49 H new ATOM 0 HD13 LEU A 116 -0.742 5.377 -5.111 1.00 0.49 H new ATOM 0 HD21 LEU A 116 -0.136 5.759 -2.129 1.00 0.68 H new ATOM 0 HD22 LEU A 116 0.809 6.471 -3.458 1.00 0.68 H new ATOM 0 HD23 LEU A 116 0.146 7.515 -2.178 1.00 0.68 H new ATOM 1907 N LYS A 117 -3.689 9.607 -3.764 1.00 0.27 N ATOM 1908 CA LYS A 117 -4.813 9.876 -2.830 1.00 0.28 C ATOM 1909 C LYS A 117 -6.130 9.743 -3.592 1.00 0.28 C ATOM 1910 O LYS A 117 -7.157 9.417 -3.030 1.00 0.29 O ATOM 1911 CB LYS A 117 -4.680 11.295 -2.270 1.00 0.33 C ATOM 1912 CG LYS A 117 -5.884 11.621 -1.383 1.00 0.78 C ATOM 1913 CD LYS A 117 -5.627 12.935 -0.640 1.00 0.86 C ATOM 1914 CE LYS A 117 -6.899 13.371 0.091 1.00 1.44 C ATOM 1915 NZ LYS A 117 -7.916 13.818 -0.902 1.00 2.16 N ATOM 0 H LYS A 117 -3.012 10.364 -3.859 1.00 0.27 H new ATOM 0 HA LYS A 117 -4.792 9.163 -2.006 1.00 0.28 H new ATOM 0 HB2 LYS A 117 -3.759 11.383 -1.694 1.00 0.33 H new ATOM 0 HB3 LYS A 117 -4.615 12.013 -3.087 1.00 0.33 H new ATOM 0 HG2 LYS A 117 -6.785 11.704 -1.990 1.00 0.78 H new ATOM 0 HG3 LYS A 117 -6.053 10.814 -0.670 1.00 0.78 H new ATOM 0 HD2 LYS A 117 -4.812 12.808 0.072 1.00 0.86 H new ATOM 0 HD3 LYS A 117 -5.317 13.708 -1.344 1.00 0.86 H new ATOM 0 HE2 LYS A 117 -7.292 12.544 0.683 1.00 1.44 H new ATOM 0 HE3 LYS A 117 -6.673 14.181 0.785 1.00 1.44 H new ATOM 0 HZ1 LYS A 117 -8.710 14.270 -0.406 1.00 2.16 H new ATOM 0 HZ2 LYS A 117 -7.484 14.500 -1.558 1.00 2.16 H new ATOM 0 HZ3 LYS A 117 -8.264 12.996 -1.436 1.00 2.16 H new ATOM 1929 N SER A 118 -6.105 10.013 -4.871 1.00 0.29 N ATOM 1930 CA SER A 118 -7.350 9.927 -5.683 1.00 0.31 C ATOM 1931 C SER A 118 -7.839 8.478 -5.778 1.00 0.29 C ATOM 1932 O SER A 118 -9.022 8.235 -5.868 1.00 0.30 O ATOM 1933 CB SER A 118 -7.080 10.463 -7.091 1.00 0.34 C ATOM 1934 OG SER A 118 -6.513 9.431 -7.887 1.00 1.35 O ATOM 0 H SER A 118 -5.271 10.290 -5.388 1.00 0.29 H new ATOM 0 HA SER A 118 -8.121 10.525 -5.198 1.00 0.31 H new ATOM 0 HB2 SER A 118 -8.007 10.817 -7.541 1.00 0.34 H new ATOM 0 HB3 SER A 118 -6.402 11.315 -7.044 1.00 0.34 H new ATOM 0 HG SER A 118 -5.817 8.968 -7.375 1.00 1.35 H new ATOM 1940 N MET A 119 -6.966 7.505 -5.735 1.00 0.26 N ATOM 1941 CA MET A 119 -7.450 6.091 -5.803 1.00 0.25 C ATOM 1942 C MET A 119 -8.139 5.760 -4.476 1.00 0.23 C ATOM 1943 O MET A 119 -9.167 5.114 -4.428 1.00 0.24 O ATOM 1944 CB MET A 119 -6.256 5.147 -6.021 1.00 0.26 C ATOM 1945 CG MET A 119 -5.897 5.090 -7.510 1.00 0.61 C ATOM 1946 SD MET A 119 -5.438 6.748 -8.085 1.00 1.03 S ATOM 1947 CE MET A 119 -3.832 6.327 -8.809 1.00 0.69 C ATOM 0 H MET A 119 -5.956 7.623 -5.657 1.00 0.26 H new ATOM 0 HA MET A 119 -8.149 5.967 -6.631 1.00 0.25 H new ATOM 0 HB2 MET A 119 -5.398 5.494 -5.445 1.00 0.26 H new ATOM 0 HB3 MET A 119 -6.501 4.148 -5.659 1.00 0.26 H new ATOM 0 HG2 MET A 119 -5.071 4.397 -7.670 1.00 0.61 H new ATOM 0 HG3 MET A 119 -6.744 4.715 -8.085 1.00 0.61 H new ATOM 0 HE1 MET A 119 -3.374 7.224 -9.226 1.00 0.69 H new ATOM 0 HE2 MET A 119 -3.182 5.913 -8.038 1.00 0.69 H new ATOM 0 HE3 MET A 119 -3.971 5.590 -9.600 1.00 0.69 H new ATOM 1957 N VAL A 120 -7.570 6.229 -3.406 1.00 0.21 N ATOM 1958 CA VAL A 120 -8.143 6.005 -2.055 1.00 0.20 C ATOM 1959 C VAL A 120 -9.409 6.836 -1.866 1.00 0.22 C ATOM 1960 O VAL A 120 -10.406 6.357 -1.363 1.00 0.22 O ATOM 1961 CB VAL A 120 -7.120 6.469 -1.019 1.00 0.20 C ATOM 1962 CG1 VAL A 120 -7.594 6.054 0.374 1.00 0.20 C ATOM 1963 CG2 VAL A 120 -5.770 5.813 -1.311 1.00 0.23 C ATOM 0 H VAL A 120 -6.707 6.773 -3.412 1.00 0.21 H new ATOM 0 HA VAL A 120 -8.382 4.948 -1.940 1.00 0.20 H new ATOM 0 HB VAL A 120 -7.016 7.553 -1.065 1.00 0.20 H new ATOM 0 HG11 VAL A 120 -6.868 6.382 1.118 1.00 0.20 H new ATOM 0 HG12 VAL A 120 -8.560 6.514 0.582 1.00 0.20 H new ATOM 0 HG13 VAL A 120 -7.692 4.969 0.417 1.00 0.20 H new ATOM 0 HG21 VAL A 120 -5.038 6.142 -0.573 1.00 0.23 H new ATOM 0 HG22 VAL A 120 -5.874 4.729 -1.260 1.00 0.23 H new ATOM 0 HG23 VAL A 120 -5.434 6.099 -2.308 1.00 0.23 H new ATOM 1973 N GLU A 121 -9.378 8.082 -2.237 1.00 0.25 N ATOM 1974 CA GLU A 121 -10.579 8.938 -2.044 1.00 0.29 C ATOM 1975 C GLU A 121 -11.657 8.590 -3.075 1.00 0.28 C ATOM 1976 O GLU A 121 -12.831 8.570 -2.768 1.00 0.31 O ATOM 1977 CB GLU A 121 -10.171 10.413 -2.179 1.00 0.35 C ATOM 1978 CG GLU A 121 -11.133 11.287 -1.371 1.00 1.07 C ATOM 1979 CD GLU A 121 -10.775 12.763 -1.556 1.00 1.63 C ATOM 1980 OE1 GLU A 121 -10.151 13.083 -2.554 1.00 2.27 O ATOM 1981 OE2 GLU A 121 -11.134 13.550 -0.695 1.00 2.20 O ATOM 0 H GLU A 121 -8.576 8.545 -2.665 1.00 0.25 H new ATOM 0 HA GLU A 121 -10.991 8.762 -1.050 1.00 0.29 H new ATOM 0 HB2 GLU A 121 -9.150 10.553 -1.823 1.00 0.35 H new ATOM 0 HB3 GLU A 121 -10.186 10.711 -3.227 1.00 0.35 H new ATOM 0 HG2 GLU A 121 -12.159 11.109 -1.694 1.00 1.07 H new ATOM 0 HG3 GLU A 121 -11.081 11.021 -0.315 1.00 1.07 H new ATOM 1988 N ASP A 122 -11.280 8.314 -4.290 1.00 0.28 N ATOM 1989 CA ASP A 122 -12.312 7.974 -5.304 1.00 0.30 C ATOM 1990 C ASP A 122 -12.946 6.637 -4.938 1.00 0.28 C ATOM 1991 O ASP A 122 -14.100 6.399 -5.210 1.00 0.31 O ATOM 1992 CB ASP A 122 -11.683 7.872 -6.696 1.00 0.34 C ATOM 1993 CG ASP A 122 -11.105 9.230 -7.101 1.00 1.16 C ATOM 1994 OD1 ASP A 122 -11.366 10.195 -6.402 1.00 1.92 O ATOM 1995 OD2 ASP A 122 -10.413 9.281 -8.105 1.00 1.89 O ATOM 0 H ASP A 122 -10.315 8.309 -4.622 1.00 0.28 H new ATOM 0 HA ASP A 122 -13.068 8.759 -5.318 1.00 0.30 H new ATOM 0 HB2 ASP A 122 -10.897 7.117 -6.696 1.00 0.34 H new ATOM 0 HB3 ASP A 122 -12.431 7.553 -7.422 1.00 0.34 H new ATOM 2000 N LYS A 123 -12.200 5.756 -4.330 1.00 0.27 N ATOM 2001 CA LYS A 123 -12.769 4.430 -3.968 1.00 0.27 C ATOM 2002 C LYS A 123 -13.644 4.536 -2.717 1.00 0.26 C ATOM 2003 O LYS A 123 -14.601 3.802 -2.572 1.00 0.28 O ATOM 2004 CB LYS A 123 -11.631 3.435 -3.704 1.00 0.27 C ATOM 2005 CG LYS A 123 -10.985 2.989 -5.029 1.00 0.93 C ATOM 2006 CD LYS A 123 -11.780 1.830 -5.665 1.00 1.10 C ATOM 2007 CE LYS A 123 -11.433 0.494 -4.992 1.00 1.43 C ATOM 2008 NZ LYS A 123 -11.883 -0.627 -5.866 1.00 1.95 N ATOM 0 H LYS A 123 -11.224 5.898 -4.069 1.00 0.27 H new ATOM 0 HA LYS A 123 -13.384 4.083 -4.798 1.00 0.27 H new ATOM 0 HB2 LYS A 123 -10.879 3.895 -3.063 1.00 0.27 H new ATOM 0 HB3 LYS A 123 -12.016 2.566 -3.170 1.00 0.27 H new ATOM 0 HG2 LYS A 123 -10.945 3.831 -5.720 1.00 0.93 H new ATOM 0 HG3 LYS A 123 -9.957 2.675 -4.850 1.00 0.93 H new ATOM 0 HD2 LYS A 123 -12.849 2.022 -5.571 1.00 1.10 H new ATOM 0 HD3 LYS A 123 -11.558 1.773 -6.731 1.00 1.10 H new ATOM 0 HE2 LYS A 123 -10.359 0.428 -4.820 1.00 1.43 H new ATOM 0 HE3 LYS A 123 -11.917 0.428 -4.017 1.00 1.43 H new ATOM 0 HZ1 LYS A 123 -11.650 -1.534 -5.414 1.00 1.95 H new ATOM 0 HZ2 LYS A 123 -12.911 -0.565 -6.008 1.00 1.95 H new ATOM 0 HZ3 LYS A 123 -11.402 -0.565 -6.786 1.00 1.95 H new ATOM 2022 N ILE A 124 -13.351 5.433 -1.807 1.00 0.27 N ATOM 2023 CA ILE A 124 -14.217 5.529 -0.596 1.00 0.29 C ATOM 2024 C ILE A 124 -15.482 6.309 -0.969 1.00 0.35 C ATOM 2025 O ILE A 124 -16.533 6.127 -0.387 1.00 0.43 O ATOM 2026 CB ILE A 124 -13.458 6.212 0.548 1.00 0.29 C ATOM 2027 CG1 ILE A 124 -12.351 5.275 1.044 1.00 0.27 C ATOM 2028 CG2 ILE A 124 -14.418 6.516 1.698 1.00 0.34 C ATOM 2029 CD1 ILE A 124 -11.417 6.027 1.998 1.00 0.30 C ATOM 0 H ILE A 124 -12.569 6.087 -1.849 1.00 0.27 H new ATOM 0 HA ILE A 124 -14.496 4.534 -0.250 1.00 0.29 H new ATOM 0 HB ILE A 124 -13.022 7.145 0.189 1.00 0.29 H new ATOM 0 HG12 ILE A 124 -12.790 4.417 1.553 1.00 0.27 H new ATOM 0 HG13 ILE A 124 -11.784 4.888 0.197 1.00 0.27 H new ATOM 0 HG21 ILE A 124 -13.873 7.001 2.508 1.00 0.34 H new ATOM 0 HG22 ILE A 124 -15.210 7.177 1.346 1.00 0.34 H new ATOM 0 HG23 ILE A 124 -14.856 5.587 2.061 1.00 0.34 H new ATOM 0 HD11 ILE A 124 -10.633 5.354 2.346 1.00 0.30 H new ATOM 0 HD12 ILE A 124 -10.965 6.870 1.476 1.00 0.30 H new ATOM 0 HD13 ILE A 124 -11.987 6.392 2.852 1.00 0.30 H new ATOM 2041 N GLN A 125 -15.393 7.150 -1.963 1.00 0.35 N ATOM 2042 CA GLN A 125 -16.581 7.927 -2.426 1.00 0.40 C ATOM 2043 C GLN A 125 -17.350 7.132 -3.498 1.00 0.43 C ATOM 2044 O GLN A 125 -18.555 6.988 -3.428 1.00 0.54 O ATOM 2045 CB GLN A 125 -16.088 9.253 -3.039 1.00 0.53 C ATOM 2046 CG GLN A 125 -15.954 10.331 -1.951 1.00 1.22 C ATOM 2047 CD GLN A 125 -15.232 9.763 -0.726 1.00 1.81 C ATOM 2048 OE1 GLN A 125 -15.817 9.632 0.331 1.00 2.27 O ATOM 2049 NE2 GLN A 125 -13.979 9.421 -0.825 1.00 2.64 N ATOM 0 H GLN A 125 -14.535 7.335 -2.482 1.00 0.35 H new ATOM 0 HA GLN A 125 -17.244 8.117 -1.582 1.00 0.40 H new ATOM 0 HB2 GLN A 125 -15.126 9.099 -3.528 1.00 0.53 H new ATOM 0 HB3 GLN A 125 -16.786 9.587 -3.807 1.00 0.53 H new ATOM 0 HG2 GLN A 125 -15.403 11.186 -2.343 1.00 1.22 H new ATOM 0 HG3 GLN A 125 -16.941 10.693 -1.664 1.00 1.22 H new ATOM 0 HE21 GLN A 125 -13.489 9.531 -1.713 1.00 2.64 H new ATOM 0 HE22 GLN A 125 -13.488 9.043 -0.015 1.00 2.64 H new