USER MOD reduce.3.24.130724 H: found=0, std=0, add=1053, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1052 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 88 ASN : amide:sc= 0.181 K(o=0.32,f=0.87) USER MOD Set 1.2: A 142 TYR OH : rot 150:sc= 0.144 USER MOD Set 2.1: A 40 HIS : no HE2:sc= 1.06 K(o=0.62,f=-7.3!) USER MOD Set 2.2: A 179 HIS : no HE2:sc= -0.439 K(o=0.62,f=-8.2!) USER MOD Set 3.1: A 36 SER OG : rot 14:sc= 0.411 USER MOD Set 3.2: A 130 ASN : amide:sc= -0.241 X(o=0.17,f=0.28) USER MOD Set 4.1: A 33 THR OG1 : rot 107:sc= 0.386 USER MOD Set 4.2: A 34 THR OG1 : rot -89:sc= 0.31 USER MOD Single : A 32 THR OG1 : rot 142:sc= 1.12 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 145:sc= 2.12 (180deg=0.627!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl 163:sc= -0.43 (180deg=-0.97) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= 0.62 K(o=0.62,f=0) USER MOD Single : A 58 THR OG1 : rot -40:sc= 0.00755 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 61 TYR OH : rot 180:sc= 0.285 USER MOD Single : A 64 ASN : amide:sc= 0.751 K(o=0.75,f=-0.048) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= -0.376 X(o=-0.38,f=-0.12) USER MOD Single : A 74 LYS NZ :NH3+ -159:sc= 0.317 (180deg=0.148) USER MOD Single : A 80 MET CE :methyl -125:sc= 0 (180deg=-0.65) USER MOD Single : A 84 THR OG1 : rot -26:sc= 0.961 USER MOD Single : A 85 ASN : amide:sc= -1.08 K(o=-1.1,f=-2.8!) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc=-0.00141 K(o=-0.0014,f=-0.86) USER MOD Single : A 94 ASN : amide:sc= 1.15 K(o=1.2,f=-0.026) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 ASN : amide:sc= 0.115 X(o=0.12,f=-0.029) USER MOD Single : A 105 GLN : amide:sc=-0.00237 X(o=-0.0024,f=-0.0024) USER MOD Single : A 106 THR OG1 : rot -170:sc= -0.634 USER MOD Single : A 108 LYS NZ :NH3+ 175:sc= 0.799 (180deg=0.781) USER MOD Single : A 110 SER OG : rot 170:sc= 0.383 USER MOD Single : A 113 MET CE :methyl 154:sc= 0 (180deg=-0.462) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 118 MET CE :methyl 142:sc= -1.12 (180deg=-2.5!) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 THR OG1 : rot 180:sc= -0.0454 USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 THR OG1 : rot 180:sc= 0 USER MOD Single : A 133 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 138 LYS NZ :NH3+ 159:sc= 1.26 (180deg=1.18) USER MOD Single : A 139 TYR OH : rot 14:sc= 0.861 USER MOD Single : A 140 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 145 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 146 SER OG : rot 180:sc= 0 USER MOD Single : A 162 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 173 ASN : amide:sc= -0.677 K(o=-0.68,f=-0.17) USER MOD Single : A 181 TYR OH : rot 120:sc= -0.0102 USER MOD Single : A 183 LYS NZ :NH3+ -115:sc= 0.844 (180deg=-0.0159) USER MOD Single : A 184 ASN : amide:sc= -1.78 K(o=-1.8,f=-1.2) USER MOD Single : A 185 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 167 N THR A 32 -0.785 -19.708 -2.296 1.00 1.04 N ATOM 168 CA THR A 32 0.023 -18.605 -2.854 1.00 0.89 C ATOM 169 C THR A 32 1.414 -19.022 -3.344 1.00 1.00 C ATOM 170 O THR A 32 1.880 -20.120 -3.039 1.00 1.15 O ATOM 171 CB THR A 32 0.259 -17.522 -1.792 1.00 0.89 C ATOM 172 OG1 THR A 32 0.995 -18.021 -0.693 1.00 1.31 O ATOM 173 CG2 THR A 32 -1.013 -16.894 -1.254 1.00 0.82 C ATOM 0 HA THR A 32 -0.560 -18.250 -3.704 1.00 0.89 H new ATOM 0 HB THR A 32 0.823 -16.752 -2.318 1.00 0.89 H new ATOM 0 HG1 THR A 32 1.619 -17.334 -0.378 1.00 1.31 H new ATOM 0 HG21 THR A 32 -0.760 -16.140 -0.509 1.00 0.82 H new ATOM 0 HG22 THR A 32 -1.562 -16.427 -2.072 1.00 0.82 H new ATOM 0 HG23 THR A 32 -1.633 -17.664 -0.794 1.00 0.82 H new ATOM 181 N THR A 33 2.120 -18.117 -4.035 1.00 0.98 N ATOM 182 CA THR A 33 3.549 -18.275 -4.373 1.00 1.07 C ATOM 183 C THR A 33 4.482 -17.626 -3.341 1.00 1.01 C ATOM 184 O THR A 33 5.677 -17.922 -3.320 1.00 1.26 O ATOM 185 CB THR A 33 3.866 -17.775 -5.794 1.00 1.19 C ATOM 186 OG1 THR A 33 3.727 -16.375 -5.928 1.00 1.59 O ATOM 187 CG2 THR A 33 2.955 -18.441 -6.826 1.00 1.35 C ATOM 0 H THR A 33 1.716 -17.246 -4.380 1.00 0.98 H new ATOM 0 HA THR A 33 3.742 -19.347 -4.345 1.00 1.07 H new ATOM 0 HB THR A 33 4.908 -18.042 -5.972 1.00 1.19 H new ATOM 0 HG1 THR A 33 4.614 -15.963 -5.989 1.00 1.59 H new ATOM 0 HG21 THR A 33 3.200 -18.070 -7.821 1.00 1.35 H new ATOM 0 HG22 THR A 33 3.099 -19.521 -6.796 1.00 1.35 H new ATOM 0 HG23 THR A 33 1.915 -18.208 -6.598 1.00 1.35 H new ATOM 195 N THR A 34 3.941 -16.771 -2.467 1.00 0.85 N ATOM 196 CA THR A 34 4.635 -16.019 -1.417 1.00 0.89 C ATOM 197 C THR A 34 3.709 -15.857 -0.195 1.00 0.78 C ATOM 198 O THR A 34 2.493 -15.743 -0.353 1.00 0.85 O ATOM 199 CB THR A 34 5.018 -14.630 -1.961 1.00 1.18 C ATOM 200 OG1 THR A 34 5.606 -14.684 -3.240 1.00 2.59 O ATOM 201 CG2 THR A 34 6.020 -13.928 -1.071 1.00 1.18 C ATOM 0 H THR A 34 2.940 -16.573 -2.475 1.00 0.85 H new ATOM 0 HA THR A 34 5.534 -16.557 -1.116 1.00 0.89 H new ATOM 0 HB THR A 34 4.073 -14.088 -1.999 1.00 1.18 H new ATOM 0 HG1 THR A 34 6.577 -14.784 -3.150 1.00 2.59 H new ATOM 0 HG21 THR A 34 6.261 -12.952 -1.493 1.00 1.18 H new ATOM 0 HG22 THR A 34 5.594 -13.798 -0.076 1.00 1.18 H new ATOM 0 HG23 THR A 34 6.928 -14.528 -1.001 1.00 1.18 H new ATOM 209 N THR A 35 4.250 -15.811 1.022 1.00 0.75 N ATOM 210 CA THR A 35 3.519 -15.583 2.292 1.00 0.78 C ATOM 211 C THR A 35 3.832 -14.234 2.958 1.00 0.50 C ATOM 212 O THR A 35 3.538 -14.026 4.132 1.00 0.46 O ATOM 213 CB THR A 35 3.700 -16.756 3.270 1.00 1.18 C ATOM 214 OG1 THR A 35 5.038 -17.197 3.310 1.00 1.39 O ATOM 215 CG2 THR A 35 2.823 -17.940 2.873 1.00 1.66 C ATOM 0 H THR A 35 5.252 -15.936 1.168 1.00 0.75 H new ATOM 0 HA THR A 35 2.466 -15.533 2.017 1.00 0.78 H new ATOM 0 HB THR A 35 3.409 -16.386 4.253 1.00 1.18 H new ATOM 0 HG1 THR A 35 5.118 -17.942 3.942 1.00 1.39 H new ATOM 0 HG21 THR A 35 2.970 -18.756 3.581 1.00 1.66 H new ATOM 0 HG22 THR A 35 1.776 -17.636 2.882 1.00 1.66 H new ATOM 0 HG23 THR A 35 3.095 -18.275 1.872 1.00 1.66 H new ATOM 223 N SER A 36 4.417 -13.284 2.227 1.00 0.50 N ATOM 224 CA SER A 36 4.600 -11.884 2.640 1.00 0.41 C ATOM 225 C SER A 36 4.536 -10.926 1.444 1.00 0.40 C ATOM 226 O SER A 36 4.717 -11.335 0.297 1.00 0.58 O ATOM 227 CB SER A 36 5.931 -11.712 3.382 1.00 0.57 C ATOM 228 OG SER A 36 5.847 -12.269 4.680 1.00 1.60 O ATOM 0 H SER A 36 4.791 -13.471 1.297 1.00 0.50 H new ATOM 0 HA SER A 36 3.780 -11.633 3.313 1.00 0.41 H new ATOM 0 HB2 SER A 36 6.732 -12.196 2.823 1.00 0.57 H new ATOM 0 HB3 SER A 36 6.183 -10.654 3.449 1.00 0.57 H new ATOM 0 HG SER A 36 5.050 -12.836 4.742 1.00 1.60 H new ATOM 234 N VAL A 37 4.272 -9.649 1.717 1.00 0.32 N ATOM 235 CA VAL A 37 4.219 -8.538 0.753 1.00 0.32 C ATOM 236 C VAL A 37 4.946 -7.311 1.318 1.00 0.33 C ATOM 237 O VAL A 37 4.872 -7.056 2.523 1.00 0.33 O ATOM 238 CB VAL A 37 2.766 -8.228 0.332 1.00 0.32 C ATOM 239 CG1 VAL A 37 1.909 -7.779 1.503 1.00 0.31 C ATOM 240 CG2 VAL A 37 2.668 -7.195 -0.796 1.00 0.33 C ATOM 0 H VAL A 37 4.078 -9.339 2.669 1.00 0.32 H new ATOM 0 HA VAL A 37 4.741 -8.836 -0.156 1.00 0.32 H new ATOM 0 HB VAL A 37 2.381 -9.175 -0.047 1.00 0.32 H new ATOM 0 HG11 VAL A 37 0.897 -7.573 1.155 1.00 0.31 H new ATOM 0 HG12 VAL A 37 1.881 -8.566 2.256 1.00 0.31 H new ATOM 0 HG13 VAL A 37 2.334 -6.875 1.939 1.00 0.31 H new ATOM 0 HG21 VAL A 37 1.620 -7.024 -1.043 1.00 0.33 H new ATOM 0 HG22 VAL A 37 3.122 -6.259 -0.472 1.00 0.33 H new ATOM 0 HG23 VAL A 37 3.192 -7.567 -1.676 1.00 0.33 H new ATOM 250 N THR A 38 5.630 -6.544 0.460 1.00 0.38 N ATOM 251 CA THR A 38 6.332 -5.304 0.853 1.00 0.39 C ATOM 252 C THR A 38 5.803 -4.093 0.085 1.00 0.37 C ATOM 253 O THR A 38 5.766 -4.093 -1.142 1.00 0.36 O ATOM 254 CB THR A 38 7.857 -5.406 0.692 1.00 0.49 C ATOM 255 OG1 THR A 38 8.326 -6.640 1.185 1.00 0.65 O ATOM 256 CG2 THR A 38 8.589 -4.316 1.476 1.00 0.55 C ATOM 0 H THR A 38 5.716 -6.763 -0.533 1.00 0.38 H new ATOM 0 HA THR A 38 6.124 -5.167 1.914 1.00 0.39 H new ATOM 0 HB THR A 38 8.056 -5.300 -0.374 1.00 0.49 H new ATOM 0 HG1 THR A 38 9.298 -6.689 1.073 1.00 0.65 H new ATOM 0 HG21 THR A 38 9.664 -4.426 1.334 1.00 0.55 H new ATOM 0 HG22 THR A 38 8.274 -3.336 1.118 1.00 0.55 H new ATOM 0 HG23 THR A 38 8.352 -4.408 2.536 1.00 0.55 H new ATOM 264 N VAL A 39 5.386 -3.047 0.796 1.00 0.44 N ATOM 265 CA VAL A 39 4.839 -1.804 0.216 1.00 0.47 C ATOM 266 C VAL A 39 5.897 -0.694 0.186 1.00 0.50 C ATOM 267 O VAL A 39 6.652 -0.541 1.147 1.00 0.55 O ATOM 268 CB VAL A 39 3.523 -1.411 0.921 1.00 0.53 C ATOM 269 CG1 VAL A 39 3.610 -1.419 2.444 1.00 0.64 C ATOM 270 CG2 VAL A 39 2.993 -0.042 0.492 1.00 0.56 C ATOM 0 H VAL A 39 5.416 -3.032 1.815 1.00 0.44 H new ATOM 0 HA VAL A 39 4.578 -1.976 -0.828 1.00 0.47 H new ATOM 0 HB VAL A 39 2.832 -2.191 0.600 1.00 0.53 H new ATOM 0 HG11 VAL A 39 2.646 -1.132 2.865 1.00 0.64 H new ATOM 0 HG12 VAL A 39 3.873 -2.419 2.788 1.00 0.64 H new ATOM 0 HG13 VAL A 39 4.373 -0.711 2.769 1.00 0.64 H new ATOM 0 HG21 VAL A 39 2.067 0.173 1.025 1.00 0.56 H new ATOM 0 HG22 VAL A 39 3.732 0.724 0.726 1.00 0.56 H new ATOM 0 HG23 VAL A 39 2.802 -0.046 -0.581 1.00 0.56 H new ATOM 280 N HIS A 40 5.948 0.057 -0.921 1.00 0.50 N ATOM 281 CA HIS A 40 6.992 1.057 -1.229 1.00 0.54 C ATOM 282 C HIS A 40 6.419 2.377 -1.798 1.00 0.82 C ATOM 283 O HIS A 40 5.896 2.400 -2.911 1.00 1.75 O ATOM 284 CB HIS A 40 7.951 0.449 -2.266 1.00 0.52 C ATOM 285 CG HIS A 40 8.612 -0.844 -1.864 1.00 0.47 C ATOM 286 ND1 HIS A 40 9.819 -0.971 -1.216 1.00 0.55 N ATOM 287 CD2 HIS A 40 8.163 -2.108 -2.145 1.00 0.46 C ATOM 288 CE1 HIS A 40 10.086 -2.281 -1.096 1.00 0.61 C ATOM 289 NE2 HIS A 40 9.102 -3.017 -1.641 1.00 0.56 N ATOM 0 H HIS A 40 5.243 -0.013 -1.655 1.00 0.50 H new ATOM 0 HA HIS A 40 7.499 1.302 -0.296 1.00 0.54 H new ATOM 0 HB2 HIS A 40 7.399 0.281 -3.191 1.00 0.52 H new ATOM 0 HB3 HIS A 40 8.729 1.180 -2.487 1.00 0.52 H new ATOM 0 HD1 HIS A 40 10.407 -0.206 -0.885 1.00 0.55 H new ATOM 0 HD2 HIS A 40 7.249 -2.358 -2.662 1.00 0.46 H new ATOM 0 HE1 HIS A 40 10.969 -2.688 -0.626 1.00 0.61 H new ATOM 297 N LYS A 41 6.526 3.505 -1.084 1.00 0.45 N ATOM 298 CA LYS A 41 5.910 4.784 -1.496 1.00 0.54 C ATOM 299 C LYS A 41 6.747 5.549 -2.530 1.00 0.53 C ATOM 300 O LYS A 41 7.912 5.880 -2.297 1.00 0.60 O ATOM 301 CB LYS A 41 5.607 5.647 -0.259 1.00 0.71 C ATOM 302 CG LYS A 41 4.973 7.013 -0.602 1.00 1.28 C ATOM 303 CD LYS A 41 3.533 6.940 -1.127 1.00 0.90 C ATOM 304 CE LYS A 41 3.045 8.364 -1.426 1.00 0.68 C ATOM 305 NZ LYS A 41 1.574 8.436 -1.585 1.00 1.03 N ATOM 0 H LYS A 41 7.040 3.562 -0.205 1.00 0.45 H new ATOM 0 HA LYS A 41 4.972 4.546 -1.997 1.00 0.54 H new ATOM 0 HB2 LYS A 41 4.935 5.099 0.401 1.00 0.71 H new ATOM 0 HB3 LYS A 41 6.532 5.813 0.294 1.00 0.71 H new ATOM 0 HG2 LYS A 41 4.988 7.639 0.290 1.00 1.28 H new ATOM 0 HG3 LYS A 41 5.593 7.508 -1.350 1.00 1.28 H new ATOM 0 HD2 LYS A 41 3.490 6.329 -2.029 1.00 0.90 H new ATOM 0 HD3 LYS A 41 2.886 6.466 -0.389 1.00 0.90 H new ATOM 0 HE2 LYS A 41 3.353 9.028 -0.618 1.00 0.68 H new ATOM 0 HE3 LYS A 41 3.524 8.726 -2.336 1.00 0.68 H new ATOM 0 HZ1 LYS A 41 1.228 9.340 -1.205 1.00 1.03 H new ATOM 0 HZ2 LYS A 41 1.330 8.368 -2.594 1.00 1.03 H new ATOM 0 HZ3 LYS A 41 1.130 7.650 -1.068 1.00 1.03 H new ATOM 319 N LEU A 42 6.096 5.918 -3.635 1.00 0.53 N ATOM 320 CA LEU A 42 6.658 6.713 -4.729 1.00 0.52 C ATOM 321 C LEU A 42 5.991 8.093 -4.866 1.00 0.52 C ATOM 322 O LEU A 42 4.825 8.276 -4.513 1.00 0.54 O ATOM 323 CB LEU A 42 6.508 5.942 -6.053 1.00 0.49 C ATOM 324 CG LEU A 42 7.098 4.528 -6.109 1.00 0.48 C ATOM 325 CD1 LEU A 42 7.061 4.056 -7.562 1.00 0.50 C ATOM 326 CD2 LEU A 42 8.547 4.450 -5.644 1.00 0.52 C ATOM 0 H LEU A 42 5.123 5.660 -3.799 1.00 0.53 H new ATOM 0 HA LEU A 42 7.709 6.882 -4.497 1.00 0.52 H new ATOM 0 HB2 LEU A 42 5.445 5.875 -6.287 1.00 0.49 H new ATOM 0 HB3 LEU A 42 6.971 6.533 -6.843 1.00 0.49 H new ATOM 0 HG LEU A 42 6.502 3.909 -5.439 1.00 0.48 H new ATOM 0 HD11 LEU A 42 7.476 3.050 -7.629 1.00 0.50 H new ATOM 0 HD12 LEU A 42 6.030 4.047 -7.915 1.00 0.50 H new ATOM 0 HD13 LEU A 42 7.650 4.734 -8.180 1.00 0.50 H new ATOM 0 HD21 LEU A 42 8.896 3.420 -5.712 1.00 0.52 H new ATOM 0 HD22 LEU A 42 9.167 5.085 -6.277 1.00 0.52 H new ATOM 0 HD23 LEU A 42 8.616 4.789 -4.611 1.00 0.52 H new ATOM 338 N LEU A 43 6.729 9.042 -5.447 1.00 0.52 N ATOM 339 CA LEU A 43 6.256 10.355 -5.908 1.00 0.53 C ATOM 340 C LEU A 43 6.941 10.733 -7.242 1.00 0.50 C ATOM 341 O LEU A 43 7.832 10.023 -7.716 1.00 0.48 O ATOM 342 CB LEU A 43 6.454 11.424 -4.808 1.00 0.64 C ATOM 343 CG LEU A 43 5.468 11.359 -3.621 1.00 0.65 C ATOM 344 CD1 LEU A 43 5.738 12.517 -2.658 1.00 1.66 C ATOM 345 CD2 LEU A 43 4.006 11.509 -4.047 1.00 0.96 C ATOM 0 H LEU A 43 7.726 8.911 -5.619 1.00 0.52 H new ATOM 0 HA LEU A 43 5.185 10.304 -6.103 1.00 0.53 H new ATOM 0 HB2 LEU A 43 7.468 11.334 -4.419 1.00 0.64 H new ATOM 0 HB3 LEU A 43 6.375 12.409 -5.267 1.00 0.64 H new ATOM 0 HG LEU A 43 5.621 10.381 -3.166 1.00 0.65 H new ATOM 0 HD11 LEU A 43 5.040 12.466 -1.823 1.00 1.66 H new ATOM 0 HD12 LEU A 43 6.759 12.447 -2.282 1.00 1.66 H new ATOM 0 HD13 LEU A 43 5.608 13.464 -3.182 1.00 1.66 H new ATOM 0 HD21 LEU A 43 3.364 11.455 -3.168 1.00 0.96 H new ATOM 0 HD22 LEU A 43 3.867 12.472 -4.539 1.00 0.96 H new ATOM 0 HD23 LEU A 43 3.744 10.708 -4.738 1.00 0.96 H new ATOM 357 N ALA A 44 6.518 11.833 -7.868 1.00 0.57 N ATOM 358 CA ALA A 44 7.104 12.363 -9.105 1.00 0.58 C ATOM 359 C ALA A 44 8.052 13.552 -8.834 1.00 0.74 C ATOM 360 O ALA A 44 8.122 14.042 -7.706 1.00 0.92 O ATOM 361 CB ALA A 44 5.958 12.734 -10.054 1.00 0.57 C ATOM 0 H ALA A 44 5.740 12.395 -7.522 1.00 0.57 H new ATOM 0 HA ALA A 44 7.728 11.601 -9.573 1.00 0.58 H new ATOM 0 HB1 ALA A 44 6.368 13.131 -10.982 1.00 0.57 H new ATOM 0 HB2 ALA A 44 5.363 11.847 -10.271 1.00 0.57 H new ATOM 0 HB3 ALA A 44 5.327 13.488 -9.585 1.00 0.57 H new ATOM 367 N THR A 45 8.772 14.035 -9.855 1.00 0.84 N ATOM 368 CA THR A 45 9.547 15.292 -9.757 1.00 1.00 C ATOM 369 C THR A 45 8.790 16.506 -10.299 1.00 1.06 C ATOM 370 O THR A 45 8.960 17.597 -9.763 1.00 1.17 O ATOM 371 CB THR A 45 10.938 15.203 -10.403 1.00 1.09 C ATOM 372 OG1 THR A 45 10.862 15.028 -11.800 1.00 1.15 O ATOM 373 CG2 THR A 45 11.788 14.061 -9.843 1.00 1.21 C ATOM 0 H THR A 45 8.838 13.577 -10.764 1.00 0.84 H new ATOM 0 HA THR A 45 9.691 15.437 -8.686 1.00 1.00 H new ATOM 0 HB THR A 45 11.411 16.155 -10.164 1.00 1.09 H new ATOM 0 HG1 THR A 45 11.767 14.978 -12.173 1.00 1.15 H new ATOM 0 HG21 THR A 45 12.758 14.052 -10.340 1.00 1.21 H new ATOM 0 HG22 THR A 45 11.930 14.205 -8.772 1.00 1.21 H new ATOM 0 HG23 THR A 45 11.282 13.111 -10.017 1.00 1.21 H new ATOM 381 N ASP A 46 7.927 16.347 -11.310 1.00 1.03 N ATOM 382 CA ASP A 46 7.092 17.407 -11.901 1.00 1.14 C ATOM 383 C ASP A 46 5.695 16.870 -12.300 1.00 1.21 C ATOM 384 O ASP A 46 5.256 16.981 -13.452 1.00 1.62 O ATOM 385 CB ASP A 46 7.854 18.070 -13.064 1.00 1.21 C ATOM 386 CG ASP A 46 7.228 19.392 -13.510 1.00 1.37 C ATOM 387 OD1 ASP A 46 7.363 20.405 -12.786 1.00 1.57 O ATOM 388 OD2 ASP A 46 6.592 19.451 -14.590 1.00 2.61 O ATOM 0 H ASP A 46 7.784 15.442 -11.758 1.00 1.03 H new ATOM 0 HA ASP A 46 6.898 18.180 -11.158 1.00 1.14 H new ATOM 0 HB2 ASP A 46 8.886 18.247 -12.761 1.00 1.21 H new ATOM 0 HB3 ASP A 46 7.883 17.384 -13.910 1.00 1.21 H new ATOM 393 N GLY A 47 5.011 16.211 -11.356 1.00 0.98 N ATOM 394 CA GLY A 47 3.632 15.710 -11.516 1.00 0.97 C ATOM 395 C GLY A 47 3.473 14.496 -12.440 1.00 0.87 C ATOM 396 O GLY A 47 2.372 14.170 -12.880 1.00 0.97 O ATOM 0 H GLY A 47 5.406 16.005 -10.438 1.00 0.98 H new ATOM 0 HA2 GLY A 47 3.242 15.449 -10.532 1.00 0.97 H new ATOM 0 HA3 GLY A 47 3.012 16.520 -11.900 1.00 0.97 H new ATOM 400 N ASP A 48 4.575 13.809 -12.736 1.00 0.75 N ATOM 401 CA ASP A 48 4.696 12.692 -13.683 1.00 0.73 C ATOM 402 C ASP A 48 4.012 11.382 -13.247 1.00 0.64 C ATOM 403 O ASP A 48 4.282 10.326 -13.822 1.00 0.67 O ATOM 404 CB ASP A 48 6.187 12.412 -13.921 1.00 0.73 C ATOM 405 CG ASP A 48 6.995 13.681 -14.132 1.00 0.90 C ATOM 406 OD1 ASP A 48 7.472 14.266 -13.138 1.00 1.66 O ATOM 407 OD2 ASP A 48 7.150 14.127 -15.285 1.00 2.16 O ATOM 0 H ASP A 48 5.468 14.029 -12.294 1.00 0.75 H new ATOM 0 HA ASP A 48 4.176 13.011 -14.586 1.00 0.73 H new ATOM 0 HB2 ASP A 48 6.591 11.867 -13.068 1.00 0.73 H new ATOM 0 HB3 ASP A 48 6.297 11.767 -14.793 1.00 0.73 H new ATOM 412 N MET A 49 3.158 11.397 -12.218 1.00 0.58 N ATOM 413 CA MET A 49 2.585 10.170 -11.651 1.00 0.56 C ATOM 414 C MET A 49 1.744 9.394 -12.674 1.00 0.62 C ATOM 415 O MET A 49 1.701 8.168 -12.621 1.00 0.63 O ATOM 416 CB MET A 49 1.737 10.481 -10.411 1.00 0.57 C ATOM 417 CG MET A 49 2.485 11.116 -9.232 1.00 0.55 C ATOM 418 SD MET A 49 3.179 9.985 -7.982 1.00 0.60 S ATOM 419 CE MET A 49 4.423 9.049 -8.905 1.00 0.61 C ATOM 0 H MET A 49 2.846 12.252 -11.757 1.00 0.58 H new ATOM 0 HA MET A 49 3.426 9.539 -11.362 1.00 0.56 H new ATOM 0 HB2 MET A 49 0.928 11.149 -10.706 1.00 0.57 H new ATOM 0 HB3 MET A 49 1.276 9.555 -10.068 1.00 0.57 H new ATOM 0 HG2 MET A 49 3.300 11.718 -9.633 1.00 0.55 H new ATOM 0 HG3 MET A 49 1.803 11.800 -8.727 1.00 0.55 H new ATOM 0 HE1 MET A 49 5.103 8.561 -8.207 1.00 0.61 H new ATOM 0 HE2 MET A 49 3.930 8.295 -9.518 1.00 0.61 H new ATOM 0 HE3 MET A 49 4.986 9.727 -9.547 1.00 0.61 H new ATOM 429 N ASP A 50 1.136 10.087 -13.638 1.00 0.68 N ATOM 430 CA ASP A 50 0.278 9.501 -14.670 1.00 0.80 C ATOM 431 C ASP A 50 1.069 8.772 -15.779 1.00 0.77 C ATOM 432 O ASP A 50 0.687 7.666 -16.179 1.00 0.82 O ATOM 433 CB ASP A 50 -0.610 10.612 -15.243 1.00 0.99 C ATOM 434 CG ASP A 50 -1.471 11.268 -14.161 1.00 1.34 C ATOM 435 OD1 ASP A 50 -2.484 10.663 -13.749 1.00 2.26 O ATOM 436 OD2 ASP A 50 -1.144 12.393 -13.707 1.00 2.09 O ATOM 0 H ASP A 50 1.229 11.099 -13.725 1.00 0.68 H new ATOM 0 HA ASP A 50 -0.337 8.727 -14.211 1.00 0.80 H new ATOM 0 HB2 ASP A 50 0.015 11.368 -15.718 1.00 0.99 H new ATOM 0 HB3 ASP A 50 -1.254 10.198 -16.019 1.00 0.99 H new ATOM 441 N LYS A 51 2.210 9.323 -16.237 1.00 0.74 N ATOM 442 CA LYS A 51 3.131 8.617 -17.137 1.00 0.76 C ATOM 443 C LYS A 51 3.900 7.513 -16.410 1.00 0.67 C ATOM 444 O LYS A 51 4.017 6.427 -16.972 1.00 0.68 O ATOM 445 CB LYS A 51 4.012 9.600 -17.916 1.00 0.82 C ATOM 446 CG LYS A 51 4.916 10.470 -17.034 1.00 0.75 C ATOM 447 CD LYS A 51 5.545 11.626 -17.820 1.00 0.89 C ATOM 448 CE LYS A 51 6.531 11.074 -18.845 1.00 1.89 C ATOM 449 NZ LYS A 51 7.243 12.144 -19.580 1.00 2.22 N ATOM 0 H LYS A 51 2.514 10.265 -15.993 1.00 0.74 H new ATOM 0 HA LYS A 51 2.544 8.095 -17.893 1.00 0.76 H new ATOM 0 HB2 LYS A 51 4.635 9.039 -18.613 1.00 0.82 H new ATOM 0 HB3 LYS A 51 3.372 10.250 -18.513 1.00 0.82 H new ATOM 0 HG2 LYS A 51 4.335 10.870 -16.203 1.00 0.75 H new ATOM 0 HG3 LYS A 51 5.705 9.853 -16.603 1.00 0.75 H new ATOM 0 HD2 LYS A 51 4.768 12.202 -18.322 1.00 0.89 H new ATOM 0 HD3 LYS A 51 6.056 12.306 -17.139 1.00 0.89 H new ATOM 0 HE2 LYS A 51 7.258 10.439 -18.339 1.00 1.89 H new ATOM 0 HE3 LYS A 51 5.997 10.443 -19.555 1.00 1.89 H new ATOM 0 HZ1 LYS A 51 7.900 11.717 -20.264 1.00 2.22 H new ATOM 0 HZ2 LYS A 51 6.553 12.736 -20.086 1.00 2.22 H new ATOM 0 HZ3 LYS A 51 7.776 12.732 -18.908 1.00 2.22 H new ATOM 463 N ILE A 52 4.326 7.723 -15.154 1.00 0.60 N ATOM 464 CA ILE A 52 4.843 6.670 -14.264 1.00 0.54 C ATOM 465 C ILE A 52 3.840 5.515 -14.169 1.00 0.57 C ATOM 466 O ILE A 52 4.218 4.381 -14.430 1.00 0.58 O ATOM 467 CB ILE A 52 5.175 7.246 -12.865 1.00 0.52 C ATOM 468 CG1 ILE A 52 6.428 8.137 -12.968 1.00 0.54 C ATOM 469 CG2 ILE A 52 5.419 6.136 -11.818 1.00 0.52 C ATOM 470 CD1 ILE A 52 6.681 9.040 -11.760 1.00 0.53 C ATOM 0 H ILE A 52 4.321 8.646 -14.720 1.00 0.60 H new ATOM 0 HA ILE A 52 5.769 6.280 -14.686 1.00 0.54 H new ATOM 0 HB ILE A 52 4.315 7.828 -12.533 1.00 0.52 H new ATOM 0 HG12 ILE A 52 7.299 7.498 -13.113 1.00 0.54 H new ATOM 0 HG13 ILE A 52 6.339 8.761 -13.857 1.00 0.54 H new ATOM 0 HG21 ILE A 52 5.648 6.589 -10.854 1.00 0.52 H new ATOM 0 HG22 ILE A 52 4.525 5.520 -11.726 1.00 0.52 H new ATOM 0 HG23 ILE A 52 6.257 5.515 -12.135 1.00 0.52 H new ATOM 0 HD11 ILE A 52 7.584 9.627 -11.927 1.00 0.53 H new ATOM 0 HD12 ILE A 52 5.832 9.710 -11.623 1.00 0.53 H new ATOM 0 HD13 ILE A 52 6.807 8.427 -10.868 1.00 0.53 H new ATOM 482 N ALA A 53 2.562 5.770 -13.878 1.00 0.61 N ATOM 483 CA ALA A 53 1.548 4.717 -13.793 1.00 0.69 C ATOM 484 C ALA A 53 1.398 3.931 -15.113 1.00 0.73 C ATOM 485 O ALA A 53 1.175 2.725 -15.072 1.00 0.76 O ATOM 486 CB ALA A 53 0.224 5.349 -13.345 1.00 0.78 C ATOM 0 H ALA A 53 2.203 6.707 -13.696 1.00 0.61 H new ATOM 0 HA ALA A 53 1.866 3.979 -13.056 1.00 0.69 H new ATOM 0 HB1 ALA A 53 -0.543 4.577 -13.277 1.00 0.78 H new ATOM 0 HB2 ALA A 53 0.356 5.817 -12.369 1.00 0.78 H new ATOM 0 HB3 ALA A 53 -0.083 6.102 -14.070 1.00 0.78 H new ATOM 492 N ASN A 54 1.625 4.565 -16.271 1.00 0.76 N ATOM 493 CA ASN A 54 1.692 3.883 -17.570 1.00 0.83 C ATOM 494 C ASN A 54 3.028 3.145 -17.829 1.00 0.77 C ATOM 495 O ASN A 54 3.057 2.172 -18.582 1.00 0.82 O ATOM 496 CB ASN A 54 1.377 4.886 -18.685 1.00 0.94 C ATOM 497 CG ASN A 54 -0.115 5.071 -18.893 1.00 1.09 C ATOM 498 OD1 ASN A 54 -0.727 4.446 -19.754 1.00 1.26 O ATOM 499 ND2 ASN A 54 -0.747 5.914 -18.112 1.00 1.08 N ATOM 0 H ASN A 54 1.768 5.573 -16.333 1.00 0.76 H new ATOM 0 HA ASN A 54 0.940 3.094 -17.557 1.00 0.83 H new ATOM 0 HB2 ASN A 54 1.829 5.848 -18.443 1.00 0.94 H new ATOM 0 HB3 ASN A 54 1.831 4.545 -19.615 1.00 0.94 H new ATOM 0 HD21 ASN A 54 -1.752 6.053 -18.219 1.00 1.08 H new ATOM 0 HD22 ASN A 54 -0.234 6.431 -17.398 1.00 1.08 H new ATOM 506 N GLU A 55 4.140 3.577 -17.228 1.00 0.71 N ATOM 507 CA GLU A 55 5.416 2.834 -17.204 1.00 0.72 C ATOM 508 C GLU A 55 5.341 1.588 -16.294 1.00 0.70 C ATOM 509 O GLU A 55 6.006 0.587 -16.575 1.00 0.83 O ATOM 510 CB GLU A 55 6.588 3.726 -16.761 1.00 0.70 C ATOM 511 CG GLU A 55 6.992 4.844 -17.734 1.00 0.77 C ATOM 512 CD GLU A 55 7.377 4.353 -19.137 1.00 0.84 C ATOM 513 OE1 GLU A 55 6.465 4.147 -19.981 1.00 1.99 O ATOM 514 OE2 GLU A 55 8.590 4.178 -19.423 1.00 1.52 O ATOM 0 H GLU A 55 4.186 4.468 -16.734 1.00 0.71 H new ATOM 0 HA GLU A 55 5.595 2.505 -18.228 1.00 0.72 H new ATOM 0 HB2 GLU A 55 6.331 4.180 -15.804 1.00 0.70 H new ATOM 0 HB3 GLU A 55 7.457 3.091 -16.589 1.00 0.70 H new ATOM 0 HG2 GLU A 55 6.165 5.549 -17.823 1.00 0.77 H new ATOM 0 HG3 GLU A 55 7.834 5.392 -17.310 1.00 0.77 H new ATOM 521 N LEU A 56 4.529 1.630 -15.227 1.00 0.63 N ATOM 522 CA LEU A 56 4.355 0.528 -14.278 1.00 0.65 C ATOM 523 C LEU A 56 3.221 -0.452 -14.630 1.00 0.78 C ATOM 524 O LEU A 56 3.405 -1.660 -14.483 1.00 0.83 O ATOM 525 CB LEU A 56 4.143 1.088 -12.864 1.00 0.66 C ATOM 526 CG LEU A 56 5.220 2.024 -12.285 1.00 0.62 C ATOM 527 CD1 LEU A 56 5.049 2.110 -10.778 1.00 0.76 C ATOM 528 CD2 LEU A 56 6.659 1.591 -12.565 1.00 0.65 C ATOM 0 H LEU A 56 3.965 2.449 -14.998 1.00 0.63 H new ATOM 0 HA LEU A 56 5.274 -0.056 -14.332 1.00 0.65 H new ATOM 0 HB2 LEU A 56 3.195 1.626 -12.857 1.00 0.66 H new ATOM 0 HB3 LEU A 56 4.035 0.243 -12.184 1.00 0.66 H new ATOM 0 HG LEU A 56 5.071 2.983 -12.782 1.00 0.62 H new ATOM 0 HD11 LEU A 56 5.809 2.772 -10.363 1.00 0.76 H new ATOM 0 HD12 LEU A 56 4.059 2.504 -10.546 1.00 0.76 H new ATOM 0 HD13 LEU A 56 5.156 1.116 -10.342 1.00 0.76 H new ATOM 0 HD21 LEU A 56 7.348 2.309 -12.120 1.00 0.65 H new ATOM 0 HD22 LEU A 56 6.833 0.605 -12.133 1.00 0.65 H new ATOM 0 HD23 LEU A 56 6.824 1.550 -13.642 1.00 0.65 H new ATOM 540 N GLU A 57 2.060 0.009 -15.113 1.00 0.91 N ATOM 541 CA GLU A 57 0.915 -0.878 -15.418 1.00 1.12 C ATOM 542 C GLU A 57 1.195 -1.826 -16.601 1.00 1.18 C ATOM 543 O GLU A 57 0.627 -2.916 -16.696 1.00 1.32 O ATOM 544 CB GLU A 57 -0.376 -0.065 -15.644 1.00 1.27 C ATOM 545 CG GLU A 57 -0.524 0.547 -17.043 1.00 1.33 C ATOM 546 CD GLU A 57 -1.855 1.291 -17.171 1.00 1.99 C ATOM 547 OE1 GLU A 57 -2.911 0.612 -17.191 1.00 2.91 O ATOM 548 OE2 GLU A 57 -1.888 2.539 -17.280 1.00 2.68 O ATOM 0 H GLU A 57 1.882 0.995 -15.304 1.00 0.91 H new ATOM 0 HA GLU A 57 0.769 -1.511 -14.542 1.00 1.12 H new ATOM 0 HB2 GLU A 57 -1.232 -0.713 -15.455 1.00 1.27 H new ATOM 0 HB3 GLU A 57 -0.415 0.738 -14.907 1.00 1.27 H new ATOM 0 HG2 GLU A 57 0.301 1.233 -17.234 1.00 1.33 H new ATOM 0 HG3 GLU A 57 -0.467 -0.238 -17.797 1.00 1.33 H new ATOM 555 N THR A 58 2.110 -1.417 -17.485 1.00 1.12 N ATOM 556 CA THR A 58 2.640 -2.200 -18.614 1.00 1.18 C ATOM 557 C THR A 58 3.733 -3.204 -18.190 1.00 0.97 C ATOM 558 O THR A 58 4.256 -3.953 -19.019 1.00 0.99 O ATOM 559 CB THR A 58 3.135 -1.213 -19.684 1.00 1.40 C ATOM 560 OG1 THR A 58 3.216 -1.790 -20.963 1.00 1.70 O ATOM 561 CG2 THR A 58 4.519 -0.650 -19.367 1.00 1.26 C ATOM 0 H THR A 58 2.524 -0.486 -17.433 1.00 1.12 H new ATOM 0 HA THR A 58 1.844 -2.821 -19.024 1.00 1.18 H new ATOM 0 HB THR A 58 2.389 -0.418 -19.676 1.00 1.40 H new ATOM 0 HG1 THR A 58 3.574 -2.699 -20.890 1.00 1.70 H new ATOM 0 HG21 THR A 58 4.820 0.041 -20.155 1.00 1.26 H new ATOM 0 HG22 THR A 58 4.488 -0.122 -18.414 1.00 1.26 H new ATOM 0 HG23 THR A 58 5.239 -1.466 -19.306 1.00 1.26 H new ATOM 569 N GLY A 59 4.110 -3.201 -16.908 1.00 0.93 N ATOM 570 CA GLY A 59 5.037 -4.136 -16.277 1.00 0.82 C ATOM 571 C GLY A 59 4.315 -5.156 -15.390 1.00 0.81 C ATOM 572 O GLY A 59 3.189 -4.922 -14.951 1.00 0.93 O ATOM 0 H GLY A 59 3.756 -2.507 -16.250 1.00 0.93 H new ATOM 0 HA2 GLY A 59 5.601 -4.662 -17.047 1.00 0.82 H new ATOM 0 HA3 GLY A 59 5.758 -3.581 -15.677 1.00 0.82 H new ATOM 576 N ASN A 60 4.961 -6.282 -15.070 1.00 0.81 N ATOM 577 CA ASN A 60 4.387 -7.338 -14.214 1.00 0.88 C ATOM 578 C ASN A 60 4.461 -7.006 -12.709 1.00 0.83 C ATOM 579 O ASN A 60 4.691 -7.882 -11.863 1.00 0.97 O ATOM 580 CB ASN A 60 5.031 -8.695 -14.524 1.00 1.05 C ATOM 581 CG ASN A 60 4.968 -9.093 -15.987 1.00 1.24 C ATOM 582 OD1 ASN A 60 4.028 -8.777 -16.708 1.00 1.49 O ATOM 583 ND2 ASN A 60 5.944 -9.825 -16.462 1.00 1.65 N ATOM 0 H ASN A 60 5.904 -6.492 -15.398 1.00 0.81 H new ATOM 0 HA ASN A 60 3.325 -7.395 -14.453 1.00 0.88 H new ATOM 0 HB2 ASN A 60 6.075 -8.669 -14.210 1.00 1.05 H new ATOM 0 HB3 ASN A 60 4.538 -9.463 -13.928 1.00 1.05 H new ATOM 0 HD21 ASN A 60 5.924 -10.134 -17.434 1.00 1.65 H new ATOM 0 HD22 ASN A 60 6.725 -10.087 -15.860 1.00 1.65 H new ATOM 590 N TYR A 61 4.301 -5.730 -12.359 1.00 0.71 N ATOM 591 CA TYR A 61 4.466 -5.218 -10.998 1.00 0.62 C ATOM 592 C TYR A 61 3.261 -5.499 -10.084 1.00 0.64 C ATOM 593 O TYR A 61 3.237 -5.079 -8.926 1.00 0.65 O ATOM 594 CB TYR A 61 4.951 -3.764 -11.037 1.00 0.57 C ATOM 595 CG TYR A 61 6.163 -3.522 -11.932 1.00 0.60 C ATOM 596 CD1 TYR A 61 7.229 -4.446 -11.988 1.00 2.04 C ATOM 597 CD2 TYR A 61 6.224 -2.353 -12.711 1.00 1.73 C ATOM 598 CE1 TYR A 61 8.340 -4.200 -12.814 1.00 2.12 C ATOM 599 CE2 TYR A 61 7.353 -2.079 -13.508 1.00 1.71 C ATOM 600 CZ TYR A 61 8.421 -3.002 -13.550 1.00 0.78 C ATOM 601 OH TYR A 61 9.568 -2.722 -14.221 1.00 0.96 O ATOM 0 H TYR A 61 4.047 -5.005 -13.030 1.00 0.71 H new ATOM 0 HA TYR A 61 5.256 -5.785 -10.506 1.00 0.62 H new ATOM 0 HB2 TYR A 61 4.132 -3.131 -11.378 1.00 0.57 H new ATOM 0 HB3 TYR A 61 5.196 -3.449 -10.023 1.00 0.57 H new ATOM 0 HD1 TYR A 61 7.191 -5.347 -11.393 1.00 2.04 H new ATOM 0 HD2 TYR A 61 5.397 -1.658 -12.698 1.00 1.73 H new ATOM 0 HE1 TYR A 61 9.132 -4.931 -12.884 1.00 2.12 H new ATOM 0 HE2 TYR A 61 7.401 -1.167 -14.084 1.00 1.71 H new ATOM 0 HH TYR A 61 9.475 -1.863 -14.683 1.00 0.96 H new ATOM 611 N ALA A 62 2.309 -6.295 -10.583 1.00 0.77 N ATOM 612 CA ALA A 62 1.253 -6.929 -9.804 1.00 0.89 C ATOM 613 C ALA A 62 1.858 -7.827 -8.704 1.00 0.81 C ATOM 614 O ALA A 62 1.281 -7.958 -7.622 1.00 0.87 O ATOM 615 CB ALA A 62 0.423 -7.783 -10.771 1.00 1.31 C ATOM 0 H ALA A 62 2.256 -6.520 -11.576 1.00 0.77 H new ATOM 0 HA ALA A 62 0.635 -6.174 -9.318 1.00 0.89 H new ATOM 0 HB1 ALA A 62 -0.381 -8.276 -10.223 1.00 1.31 H new ATOM 0 HB2 ALA A 62 -0.003 -7.145 -11.545 1.00 1.31 H new ATOM 0 HB3 ALA A 62 1.062 -8.536 -11.232 1.00 1.31 H new ATOM 621 N GLY A 63 3.037 -8.419 -8.961 1.00 0.81 N ATOM 622 CA GLY A 63 3.806 -9.147 -7.944 1.00 0.91 C ATOM 623 C GLY A 63 5.272 -8.723 -7.851 1.00 0.81 C ATOM 624 O GLY A 63 5.762 -8.460 -6.756 1.00 0.95 O ATOM 0 H GLY A 63 3.481 -8.405 -9.879 1.00 0.81 H new ATOM 0 HA2 GLY A 63 3.334 -9.001 -6.973 1.00 0.91 H new ATOM 0 HA3 GLY A 63 3.760 -10.214 -8.163 1.00 0.91 H new ATOM 628 N ASN A 64 5.966 -8.639 -8.989 1.00 0.75 N ATOM 629 CA ASN A 64 7.407 -8.376 -9.040 1.00 0.82 C ATOM 630 C ASN A 64 7.740 -6.950 -8.573 1.00 0.65 C ATOM 631 O ASN A 64 6.981 -6.023 -8.867 1.00 0.67 O ATOM 632 CB ASN A 64 7.912 -8.602 -10.475 1.00 1.30 C ATOM 633 CG ASN A 64 7.627 -9.979 -11.004 1.00 1.47 C ATOM 634 OD1 ASN A 64 8.360 -10.932 -10.789 1.00 2.77 O ATOM 635 ND2 ASN A 64 6.556 -10.126 -11.729 1.00 1.89 N ATOM 0 H ASN A 64 5.540 -8.753 -9.909 1.00 0.75 H new ATOM 0 HA ASN A 64 7.908 -9.064 -8.360 1.00 0.82 H new ATOM 0 HB2 ASN A 64 7.450 -7.866 -11.134 1.00 1.30 H new ATOM 0 HB3 ASN A 64 8.987 -8.426 -10.505 1.00 1.30 H new ATOM 0 HD21 ASN A 64 6.326 -11.040 -12.120 1.00 1.89 H new ATOM 0 HD22 ASN A 64 5.947 -9.328 -11.906 1.00 1.89 H new ATOM 642 N LYS A 65 8.885 -6.733 -7.910 1.00 0.61 N ATOM 643 CA LYS A 65 9.326 -5.362 -7.585 1.00 0.56 C ATOM 644 C LYS A 65 9.723 -4.569 -8.839 1.00 0.66 C ATOM 645 O LYS A 65 10.221 -5.155 -9.805 1.00 0.85 O ATOM 646 CB LYS A 65 10.389 -5.338 -6.474 1.00 0.70 C ATOM 647 CG LYS A 65 11.842 -5.596 -6.903 1.00 1.11 C ATOM 648 CD LYS A 65 12.817 -5.400 -5.730 1.00 1.70 C ATOM 649 CE LYS A 65 12.914 -3.923 -5.319 1.00 1.80 C ATOM 650 NZ LYS A 65 13.786 -3.736 -4.139 1.00 3.06 N ATOM 0 H LYS A 65 9.514 -7.470 -7.592 1.00 0.61 H new ATOM 0 HA LYS A 65 8.465 -4.838 -7.170 1.00 0.56 H new ATOM 0 HB2 LYS A 65 10.347 -4.365 -5.984 1.00 0.70 H new ATOM 0 HB3 LYS A 65 10.117 -6.084 -5.727 1.00 0.70 H new ATOM 0 HG2 LYS A 65 11.934 -6.611 -7.289 1.00 1.11 H new ATOM 0 HG3 LYS A 65 12.108 -4.921 -7.716 1.00 1.11 H new ATOM 0 HD2 LYS A 65 12.487 -5.995 -4.878 1.00 1.70 H new ATOM 0 HD3 LYS A 65 13.804 -5.766 -6.011 1.00 1.70 H new ATOM 0 HE2 LYS A 65 13.302 -3.339 -6.153 1.00 1.80 H new ATOM 0 HE3 LYS A 65 11.917 -3.541 -5.098 1.00 1.80 H new ATOM 0 HZ1 LYS A 65 13.826 -2.726 -3.893 1.00 3.06 H new ATOM 0 HZ2 LYS A 65 13.403 -4.273 -3.335 1.00 3.06 H new ATOM 0 HZ3 LYS A 65 14.744 -4.077 -4.358 1.00 3.06 H new ATOM 664 N VAL A 66 9.530 -3.246 -8.819 1.00 0.56 N ATOM 665 CA VAL A 66 9.746 -2.384 -10.006 1.00 0.53 C ATOM 666 C VAL A 66 11.198 -2.470 -10.502 1.00 0.64 C ATOM 667 O VAL A 66 12.136 -2.249 -9.729 1.00 0.77 O ATOM 668 CB VAL A 66 9.331 -0.913 -9.786 1.00 0.49 C ATOM 669 CG1 VAL A 66 9.714 -0.008 -10.974 1.00 0.53 C ATOM 670 CG2 VAL A 66 7.810 -0.810 -9.642 1.00 0.42 C ATOM 0 H VAL A 66 9.222 -2.737 -7.990 1.00 0.56 H new ATOM 0 HA VAL A 66 9.085 -2.777 -10.779 1.00 0.53 H new ATOM 0 HB VAL A 66 9.854 -0.586 -8.887 1.00 0.49 H new ATOM 0 HG11 VAL A 66 9.400 1.015 -10.768 1.00 0.53 H new ATOM 0 HG12 VAL A 66 10.794 -0.034 -11.118 1.00 0.53 H new ATOM 0 HG13 VAL A 66 9.219 -0.365 -11.877 1.00 0.53 H new ATOM 0 HG21 VAL A 66 7.529 0.232 -9.487 1.00 0.42 H new ATOM 0 HG22 VAL A 66 7.333 -1.184 -10.548 1.00 0.42 H new ATOM 0 HG23 VAL A 66 7.484 -1.404 -8.788 1.00 0.42 H new ATOM 680 N GLY A 67 11.386 -2.780 -11.790 1.00 0.69 N ATOM 681 CA GLY A 67 12.693 -2.986 -12.427 1.00 0.81 C ATOM 682 C GLY A 67 13.525 -1.711 -12.561 1.00 0.76 C ATOM 683 O GLY A 67 14.685 -1.676 -12.142 1.00 0.91 O ATOM 0 H GLY A 67 10.608 -2.898 -12.439 1.00 0.69 H new ATOM 0 HA2 GLY A 67 13.257 -3.717 -11.848 1.00 0.81 H new ATOM 0 HA3 GLY A 67 12.540 -3.414 -13.418 1.00 0.81 H new ATOM 687 N VAL A 68 12.918 -0.654 -13.113 1.00 0.72 N ATOM 688 CA VAL A 68 13.537 0.666 -13.318 1.00 0.84 C ATOM 689 C VAL A 68 12.513 1.773 -13.071 1.00 0.71 C ATOM 690 O VAL A 68 11.494 1.854 -13.767 1.00 0.77 O ATOM 691 CB VAL A 68 14.098 0.802 -14.753 1.00 1.19 C ATOM 692 CG1 VAL A 68 14.713 2.186 -15.000 1.00 1.77 C ATOM 693 CG2 VAL A 68 15.183 -0.237 -15.072 1.00 1.69 C ATOM 0 H VAL A 68 11.953 -0.692 -13.440 1.00 0.72 H new ATOM 0 HA VAL A 68 14.360 0.761 -12.609 1.00 0.84 H new ATOM 0 HB VAL A 68 13.236 0.643 -15.400 1.00 1.19 H new ATOM 0 HG11 VAL A 68 15.095 2.238 -16.020 1.00 1.77 H new ATOM 0 HG12 VAL A 68 13.952 2.953 -14.858 1.00 1.77 H new ATOM 0 HG13 VAL A 68 15.530 2.352 -14.298 1.00 1.77 H new ATOM 0 HG21 VAL A 68 15.538 -0.091 -16.092 1.00 1.69 H new ATOM 0 HG22 VAL A 68 16.015 -0.119 -14.378 1.00 1.69 H new ATOM 0 HG23 VAL A 68 14.767 -1.240 -14.972 1.00 1.69 H new ATOM 703 N LEU A 69 12.781 2.654 -12.109 1.00 0.65 N ATOM 704 CA LEU A 69 12.029 3.893 -11.925 1.00 0.59 C ATOM 705 C LEU A 69 12.560 4.980 -12.873 1.00 0.61 C ATOM 706 O LEU A 69 13.777 5.074 -13.063 1.00 0.75 O ATOM 707 CB LEU A 69 12.121 4.343 -10.458 1.00 0.65 C ATOM 708 CG LEU A 69 11.403 3.402 -9.482 1.00 0.67 C ATOM 709 CD1 LEU A 69 11.673 3.836 -8.047 1.00 0.83 C ATOM 710 CD2 LEU A 69 9.896 3.426 -9.706 1.00 0.65 C ATOM 0 H LEU A 69 13.532 2.527 -11.430 1.00 0.65 H new ATOM 0 HA LEU A 69 10.980 3.720 -12.166 1.00 0.59 H new ATOM 0 HB2 LEU A 69 13.171 4.416 -10.174 1.00 0.65 H new ATOM 0 HB3 LEU A 69 11.696 5.342 -10.366 1.00 0.65 H new ATOM 0 HG LEU A 69 11.782 2.395 -9.657 1.00 0.67 H new ATOM 0 HD11 LEU A 69 11.160 3.163 -7.361 1.00 0.83 H new ATOM 0 HD12 LEU A 69 12.745 3.804 -7.853 1.00 0.83 H new ATOM 0 HD13 LEU A 69 11.308 4.852 -7.899 1.00 0.83 H new ATOM 0 HD21 LEU A 69 9.413 2.750 -9.001 1.00 0.65 H new ATOM 0 HD22 LEU A 69 9.522 4.438 -9.553 1.00 0.65 H new ATOM 0 HD23 LEU A 69 9.674 3.107 -10.724 1.00 0.65 H new ATOM 722 N PRO A 70 11.695 5.829 -13.453 1.00 0.55 N ATOM 723 CA PRO A 70 12.155 6.898 -14.338 1.00 0.57 C ATOM 724 C PRO A 70 12.971 7.965 -13.591 1.00 0.58 C ATOM 725 O PRO A 70 12.850 8.119 -12.374 1.00 0.57 O ATOM 726 CB PRO A 70 10.882 7.458 -14.968 1.00 0.57 C ATOM 727 CG PRO A 70 9.758 7.132 -13.999 1.00 0.56 C ATOM 728 CD PRO A 70 10.244 5.860 -13.286 1.00 0.54 C ATOM 0 HA PRO A 70 12.845 6.529 -15.097 1.00 0.57 H new ATOM 0 HB2 PRO A 70 10.964 8.534 -15.123 1.00 0.57 H new ATOM 0 HB3 PRO A 70 10.699 7.008 -15.944 1.00 0.57 H new ATOM 0 HG2 PRO A 70 9.589 7.946 -13.294 1.00 0.56 H new ATOM 0 HG3 PRO A 70 8.816 6.963 -14.521 1.00 0.56 H new ATOM 0 HD2 PRO A 70 9.974 5.878 -12.230 1.00 0.54 H new ATOM 0 HD3 PRO A 70 9.783 4.971 -13.718 1.00 0.54 H new ATOM 736 N ALA A 71 13.757 8.767 -14.320 1.00 0.65 N ATOM 737 CA ALA A 71 14.481 9.913 -13.751 1.00 0.71 C ATOM 738 C ALA A 71 13.530 10.945 -13.112 1.00 0.66 C ATOM 739 O ALA A 71 13.903 11.640 -12.164 1.00 0.77 O ATOM 740 CB ALA A 71 15.318 10.567 -14.858 1.00 0.84 C ATOM 0 H ALA A 71 13.910 8.641 -15.321 1.00 0.65 H new ATOM 0 HA ALA A 71 15.129 9.550 -12.953 1.00 0.71 H new ATOM 0 HB1 ALA A 71 15.860 11.419 -14.449 1.00 0.84 H new ATOM 0 HB2 ALA A 71 16.028 9.841 -15.254 1.00 0.84 H new ATOM 0 HB3 ALA A 71 14.661 10.906 -15.659 1.00 0.84 H new ATOM 746 N ASN A 72 12.285 10.999 -13.602 1.00 0.61 N ATOM 747 CA ASN A 72 11.190 11.817 -13.078 1.00 0.62 C ATOM 748 C ASN A 72 10.350 11.158 -11.957 1.00 0.62 C ATOM 749 O ASN A 72 9.328 11.709 -11.552 1.00 0.80 O ATOM 750 CB ASN A 72 10.334 12.293 -14.257 1.00 0.66 C ATOM 751 CG ASN A 72 9.696 11.181 -15.060 1.00 0.64 C ATOM 752 OD1 ASN A 72 10.099 10.881 -16.174 1.00 1.49 O ATOM 753 ND2 ASN A 72 8.714 10.499 -14.524 1.00 1.13 N ATOM 0 H ASN A 72 12.003 10.447 -14.412 1.00 0.61 H new ATOM 0 HA ASN A 72 11.637 12.670 -12.568 1.00 0.62 H new ATOM 0 HB2 ASN A 72 9.548 12.947 -13.878 1.00 0.66 H new ATOM 0 HB3 ASN A 72 10.956 12.893 -14.922 1.00 0.66 H new ATOM 0 HD21 ASN A 72 8.292 9.724 -15.036 1.00 1.13 H new ATOM 0 HD22 ASN A 72 8.372 10.743 -13.595 1.00 1.13 H new ATOM 760 N ALA A 73 10.734 9.973 -11.479 1.00 0.54 N ATOM 761 CA ALA A 73 10.190 9.342 -10.267 1.00 0.53 C ATOM 762 C ALA A 73 11.165 9.476 -9.085 1.00 0.57 C ATOM 763 O ALA A 73 12.384 9.513 -9.284 1.00 0.65 O ATOM 764 CB ALA A 73 9.897 7.867 -10.548 1.00 0.52 C ATOM 0 H ALA A 73 11.451 9.408 -11.934 1.00 0.54 H new ATOM 0 HA ALA A 73 9.266 9.852 -9.995 1.00 0.53 H new ATOM 0 HB1 ALA A 73 9.494 7.399 -9.650 1.00 0.52 H new ATOM 0 HB2 ALA A 73 9.170 7.788 -11.356 1.00 0.52 H new ATOM 0 HB3 ALA A 73 10.818 7.362 -10.838 1.00 0.52 H new ATOM 770 N LYS A 74 10.648 9.479 -7.854 1.00 0.56 N ATOM 771 CA LYS A 74 11.431 9.475 -6.607 1.00 0.67 C ATOM 772 C LYS A 74 10.769 8.617 -5.524 1.00 0.61 C ATOM 773 O LYS A 74 9.598 8.256 -5.631 1.00 0.55 O ATOM 774 CB LYS A 74 11.687 10.921 -6.152 1.00 0.89 C ATOM 775 CG LYS A 74 10.482 11.534 -5.428 1.00 0.94 C ATOM 776 CD LYS A 74 10.528 13.065 -5.495 1.00 1.12 C ATOM 777 CE LYS A 74 9.252 13.661 -4.904 1.00 1.59 C ATOM 778 NZ LYS A 74 9.162 15.109 -5.184 1.00 2.58 N ATOM 0 H LYS A 74 9.642 9.484 -7.688 1.00 0.56 H new ATOM 0 HA LYS A 74 12.398 9.010 -6.796 1.00 0.67 H new ATOM 0 HB2 LYS A 74 12.553 10.942 -5.490 1.00 0.89 H new ATOM 0 HB3 LYS A 74 11.934 11.533 -7.020 1.00 0.89 H new ATOM 0 HG2 LYS A 74 9.558 11.173 -5.880 1.00 0.94 H new ATOM 0 HG3 LYS A 74 10.475 11.211 -4.387 1.00 0.94 H new ATOM 0 HD2 LYS A 74 11.396 13.434 -4.949 1.00 1.12 H new ATOM 0 HD3 LYS A 74 10.642 13.387 -6.530 1.00 1.12 H new ATOM 0 HE2 LYS A 74 8.383 13.152 -5.320 1.00 1.59 H new ATOM 0 HE3 LYS A 74 9.234 13.494 -3.827 1.00 1.59 H new ATOM 0 HZ1 LYS A 74 8.514 15.554 -4.504 1.00 2.58 H new ATOM 0 HZ2 LYS A 74 10.105 15.539 -5.096 1.00 2.58 H new ATOM 0 HZ3 LYS A 74 8.804 15.254 -6.150 1.00 2.58 H new ATOM 792 N GLU A 75 11.537 8.290 -4.492 1.00 0.69 N ATOM 793 CA GLU A 75 11.184 7.310 -3.457 1.00 0.72 C ATOM 794 C GLU A 75 11.288 7.941 -2.059 1.00 0.74 C ATOM 795 O GLU A 75 12.273 8.631 -1.765 1.00 0.81 O ATOM 796 CB GLU A 75 12.118 6.089 -3.580 1.00 0.90 C ATOM 797 CG GLU A 75 12.066 5.413 -4.961 1.00 0.84 C ATOM 798 CD GLU A 75 13.200 4.393 -5.131 1.00 1.07 C ATOM 799 OE1 GLU A 75 13.069 3.234 -4.664 1.00 1.66 O ATOM 800 OE2 GLU A 75 14.235 4.725 -5.765 1.00 2.26 O ATOM 0 H GLU A 75 12.454 8.710 -4.342 1.00 0.69 H new ATOM 0 HA GLU A 75 10.153 6.987 -3.598 1.00 0.72 H new ATOM 0 HB2 GLU A 75 13.142 6.403 -3.376 1.00 0.90 H new ATOM 0 HB3 GLU A 75 11.851 5.359 -2.816 1.00 0.90 H new ATOM 0 HG2 GLU A 75 11.105 4.915 -5.087 1.00 0.84 H new ATOM 0 HG3 GLU A 75 12.137 6.171 -5.741 1.00 0.84 H new ATOM 807 N ILE A 76 10.291 7.715 -1.198 1.00 0.71 N ATOM 808 CA ILE A 76 10.193 8.304 0.152 1.00 0.69 C ATOM 809 C ILE A 76 9.761 7.270 1.194 1.00 0.67 C ATOM 810 O ILE A 76 9.038 6.328 0.883 1.00 0.77 O ATOM 811 CB ILE A 76 9.243 9.527 0.186 1.00 0.72 C ATOM 812 CG1 ILE A 76 7.852 9.212 -0.409 1.00 0.79 C ATOM 813 CG2 ILE A 76 9.893 10.738 -0.506 1.00 0.77 C ATOM 814 CD1 ILE A 76 6.795 10.271 -0.080 1.00 0.68 C ATOM 0 H ILE A 76 9.507 7.102 -1.421 1.00 0.71 H new ATOM 0 HA ILE A 76 11.195 8.649 0.408 1.00 0.69 H new ATOM 0 HB ILE A 76 9.077 9.779 1.233 1.00 0.72 H new ATOM 0 HG12 ILE A 76 7.940 9.122 -1.492 1.00 0.79 H new ATOM 0 HG13 ILE A 76 7.516 8.245 -0.035 1.00 0.79 H new ATOM 0 HG21 ILE A 76 9.210 11.587 -0.472 1.00 0.77 H new ATOM 0 HG22 ILE A 76 10.819 10.997 0.007 1.00 0.77 H new ATOM 0 HG23 ILE A 76 10.111 10.490 -1.545 1.00 0.77 H new ATOM 0 HD11 ILE A 76 5.843 9.987 -0.529 1.00 0.68 H new ATOM 0 HD12 ILE A 76 6.679 10.345 1.001 1.00 0.68 H new ATOM 0 HD13 ILE A 76 7.110 11.235 -0.478 1.00 0.68 H new ATOM 826 N ALA A 77 10.180 7.465 2.442 1.00 0.63 N ATOM 827 CA ALA A 77 9.783 6.669 3.605 1.00 0.62 C ATOM 828 C ALA A 77 9.084 7.529 4.683 1.00 0.60 C ATOM 829 O ALA A 77 9.007 8.755 4.570 1.00 0.75 O ATOM 830 CB ALA A 77 11.024 5.931 4.123 1.00 0.64 C ATOM 0 H ALA A 77 10.832 8.212 2.682 1.00 0.63 H new ATOM 0 HA ALA A 77 9.034 5.931 3.318 1.00 0.62 H new ATOM 0 HB1 ALA A 77 10.754 5.330 4.991 1.00 0.64 H new ATOM 0 HB2 ALA A 77 11.415 5.282 3.339 1.00 0.64 H new ATOM 0 HB3 ALA A 77 11.786 6.656 4.407 1.00 0.64 H new ATOM 836 N GLY A 78 8.574 6.874 5.729 1.00 0.51 N ATOM 837 CA GLY A 78 7.955 7.496 6.904 1.00 0.48 C ATOM 838 C GLY A 78 6.451 7.773 6.790 1.00 0.42 C ATOM 839 O GLY A 78 5.906 8.495 7.627 1.00 0.51 O ATOM 0 H GLY A 78 8.581 5.855 5.783 1.00 0.51 H new ATOM 0 HA2 GLY A 78 8.123 6.850 7.766 1.00 0.48 H new ATOM 0 HA3 GLY A 78 8.466 8.437 7.106 1.00 0.48 H new ATOM 843 N VAL A 79 5.769 7.213 5.787 1.00 0.40 N ATOM 844 CA VAL A 79 4.304 7.293 5.604 1.00 0.40 C ATOM 845 C VAL A 79 3.603 6.050 6.165 1.00 0.34 C ATOM 846 O VAL A 79 4.167 4.960 6.108 1.00 0.33 O ATOM 847 CB VAL A 79 3.949 7.562 4.127 1.00 0.51 C ATOM 848 CG1 VAL A 79 4.534 6.537 3.154 1.00 0.66 C ATOM 849 CG2 VAL A 79 2.442 7.646 3.884 1.00 0.58 C ATOM 0 H VAL A 79 6.229 6.673 5.054 1.00 0.40 H new ATOM 0 HA VAL A 79 3.931 8.141 6.179 1.00 0.40 H new ATOM 0 HB VAL A 79 4.407 8.531 3.928 1.00 0.51 H new ATOM 0 HG11 VAL A 79 4.241 6.793 2.136 1.00 0.66 H new ATOM 0 HG12 VAL A 79 5.621 6.542 3.231 1.00 0.66 H new ATOM 0 HG13 VAL A 79 4.157 5.544 3.401 1.00 0.66 H new ATOM 0 HG21 VAL A 79 2.254 7.837 2.827 1.00 0.58 H new ATOM 0 HG22 VAL A 79 1.974 6.705 4.172 1.00 0.58 H new ATOM 0 HG23 VAL A 79 2.022 8.457 4.479 1.00 0.58 H new ATOM 859 N MET A 80 2.392 6.224 6.707 1.00 0.36 N ATOM 860 CA MET A 80 1.536 5.193 7.314 1.00 0.34 C ATOM 861 C MET A 80 0.404 4.748 6.372 1.00 0.34 C ATOM 862 O MET A 80 -0.232 5.564 5.702 1.00 0.36 O ATOM 863 CB MET A 80 1.021 5.740 8.662 1.00 0.40 C ATOM 864 CG MET A 80 -0.255 5.137 9.258 1.00 0.56 C ATOM 865 SD MET A 80 -0.426 3.341 9.451 1.00 1.09 S ATOM 866 CE MET A 80 0.520 3.057 10.960 1.00 0.51 C ATOM 0 H MET A 80 1.955 7.145 6.736 1.00 0.36 H new ATOM 0 HA MET A 80 2.113 4.286 7.493 1.00 0.34 H new ATOM 0 HB2 MET A 80 1.818 5.618 9.395 1.00 0.40 H new ATOM 0 HB3 MET A 80 0.857 6.811 8.544 1.00 0.40 H new ATOM 0 HG2 MET A 80 -0.389 5.580 10.245 1.00 0.56 H new ATOM 0 HG3 MET A 80 -1.088 5.474 8.641 1.00 0.56 H new ATOM 0 HE1 MET A 80 1.289 2.308 10.772 1.00 0.51 H new ATOM 0 HE2 MET A 80 0.990 3.988 11.275 1.00 0.51 H new ATOM 0 HE3 MET A 80 -0.147 2.703 11.746 1.00 0.51 H new ATOM 876 N PHE A 81 0.138 3.441 6.335 1.00 0.32 N ATOM 877 CA PHE A 81 -0.933 2.808 5.551 1.00 0.30 C ATOM 878 C PHE A 81 -1.530 1.589 6.274 1.00 0.27 C ATOM 879 O PHE A 81 -0.861 0.908 7.056 1.00 0.27 O ATOM 880 CB PHE A 81 -0.423 2.427 4.143 1.00 0.32 C ATOM 881 CG PHE A 81 1.043 2.061 4.143 1.00 0.36 C ATOM 882 CD1 PHE A 81 1.436 0.855 4.746 1.00 1.62 C ATOM 883 CD2 PHE A 81 2.012 3.013 3.768 1.00 1.53 C ATOM 884 CE1 PHE A 81 2.786 0.625 5.029 1.00 1.73 C ATOM 885 CE2 PHE A 81 3.366 2.748 4.009 1.00 1.57 C ATOM 886 CZ PHE A 81 3.752 1.562 4.652 1.00 0.81 C ATOM 0 H PHE A 81 0.682 2.765 6.870 1.00 0.32 H new ATOM 0 HA PHE A 81 -1.736 3.537 5.441 1.00 0.30 H new ATOM 0 HB2 PHE A 81 -1.005 1.587 3.763 1.00 0.32 H new ATOM 0 HB3 PHE A 81 -0.587 3.262 3.462 1.00 0.32 H new ATOM 0 HD1 PHE A 81 0.697 0.107 4.991 1.00 1.62 H new ATOM 0 HD2 PHE A 81 1.713 3.939 3.299 1.00 1.53 H new ATOM 0 HE1 PHE A 81 3.083 -0.279 5.540 1.00 1.73 H new ATOM 0 HE2 PHE A 81 4.117 3.460 3.698 1.00 1.57 H new ATOM 0 HZ PHE A 81 4.796 1.373 4.856 1.00 0.81 H new ATOM 896 N VAL A 82 -2.798 1.300 5.973 1.00 0.25 N ATOM 897 CA VAL A 82 -3.639 0.264 6.597 1.00 0.25 C ATOM 898 C VAL A 82 -4.216 -0.683 5.523 1.00 0.25 C ATOM 899 O VAL A 82 -4.530 -0.239 4.416 1.00 0.26 O ATOM 900 CB VAL A 82 -4.755 0.903 7.462 1.00 0.27 C ATOM 901 CG1 VAL A 82 -4.247 2.045 8.361 1.00 0.30 C ATOM 902 CG2 VAL A 82 -5.903 1.502 6.643 1.00 0.29 C ATOM 0 H VAL A 82 -3.299 1.810 5.245 1.00 0.25 H new ATOM 0 HA VAL A 82 -3.017 -0.333 7.264 1.00 0.25 H new ATOM 0 HB VAL A 82 -5.107 0.060 8.057 1.00 0.27 H new ATOM 0 HG11 VAL A 82 -5.077 2.449 8.940 1.00 0.30 H new ATOM 0 HG12 VAL A 82 -3.484 1.662 9.039 1.00 0.30 H new ATOM 0 HG13 VAL A 82 -3.819 2.833 7.741 1.00 0.30 H new ATOM 0 HG21 VAL A 82 -6.645 1.930 7.316 1.00 0.29 H new ATOM 0 HG22 VAL A 82 -5.514 2.282 5.988 1.00 0.29 H new ATOM 0 HG23 VAL A 82 -6.367 0.721 6.041 1.00 0.29 H new ATOM 912 N TRP A 83 -4.384 -1.974 5.828 1.00 0.24 N ATOM 913 CA TRP A 83 -5.063 -2.952 4.964 1.00 0.23 C ATOM 914 C TRP A 83 -6.584 -3.007 5.194 1.00 0.24 C ATOM 915 O TRP A 83 -7.092 -2.867 6.309 1.00 0.27 O ATOM 916 CB TRP A 83 -4.430 -4.343 5.130 1.00 0.24 C ATOM 917 CG TRP A 83 -3.222 -4.622 4.281 1.00 0.25 C ATOM 918 CD1 TRP A 83 -2.022 -4.000 4.356 1.00 0.33 C ATOM 919 CD2 TRP A 83 -3.076 -5.633 3.233 1.00 0.24 C ATOM 920 NE1 TRP A 83 -1.176 -4.507 3.384 1.00 0.32 N ATOM 921 CE2 TRP A 83 -1.772 -5.521 2.661 1.00 0.28 C ATOM 922 CE3 TRP A 83 -3.914 -6.648 2.721 1.00 0.25 C ATOM 923 CZ2 TRP A 83 -1.338 -6.346 1.608 1.00 0.32 C ATOM 924 CZ3 TRP A 83 -3.475 -7.510 1.698 1.00 0.31 C ATOM 925 CH2 TRP A 83 -2.198 -7.350 1.130 1.00 0.35 C ATOM 0 H TRP A 83 -4.045 -2.379 6.701 1.00 0.24 H new ATOM 0 HA TRP A 83 -4.923 -2.617 3.936 1.00 0.23 H new ATOM 0 HB2 TRP A 83 -4.152 -4.471 6.176 1.00 0.24 H new ATOM 0 HB3 TRP A 83 -5.188 -5.094 4.907 1.00 0.24 H new ATOM 0 HD1 TRP A 83 -1.764 -3.227 5.065 1.00 0.33 H new ATOM 0 HE1 TRP A 83 -0.227 -4.172 3.222 1.00 0.32 H new ATOM 0 HE3 TRP A 83 -4.910 -6.765 3.122 1.00 0.25 H new ATOM 0 HZ2 TRP A 83 -0.359 -6.210 1.173 1.00 0.32 H new ATOM 0 HZ3 TRP A 83 -4.123 -8.299 1.347 1.00 0.31 H new ATOM 0 HH2 TRP A 83 -1.879 -7.998 0.327 1.00 0.35 H new ATOM 936 N THR A 84 -7.314 -3.264 4.108 1.00 0.23 N ATOM 937 CA THR A 84 -8.779 -3.407 4.061 1.00 0.25 C ATOM 938 C THR A 84 -9.240 -4.486 3.070 1.00 0.26 C ATOM 939 O THR A 84 -8.460 -4.954 2.239 1.00 0.29 O ATOM 940 CB THR A 84 -9.468 -2.087 3.645 1.00 0.27 C ATOM 941 OG1 THR A 84 -9.043 -1.695 2.370 1.00 0.33 O ATOM 942 CG2 THR A 84 -9.239 -0.884 4.549 1.00 0.28 C ATOM 0 H THR A 84 -6.884 -3.385 3.191 1.00 0.23 H new ATOM 0 HA THR A 84 -9.065 -3.692 5.074 1.00 0.25 H new ATOM 0 HB THR A 84 -10.526 -2.342 3.701 1.00 0.27 H new ATOM 0 HG1 THR A 84 -8.153 -2.066 2.194 1.00 0.33 H new ATOM 0 HG21 THR A 84 -9.774 -0.022 4.150 1.00 0.28 H new ATOM 0 HG22 THR A 84 -9.606 -1.107 5.551 1.00 0.28 H new ATOM 0 HG23 THR A 84 -8.173 -0.660 4.594 1.00 0.28 H new ATOM 950 N ASN A 85 -10.518 -4.871 3.126 1.00 0.31 N ATOM 951 CA ASN A 85 -11.181 -5.696 2.099 1.00 0.35 C ATOM 952 C ASN A 85 -11.875 -4.839 1.015 1.00 0.37 C ATOM 953 O ASN A 85 -11.885 -3.613 1.115 1.00 0.41 O ATOM 954 CB ASN A 85 -12.094 -6.724 2.790 1.00 0.44 C ATOM 955 CG ASN A 85 -11.329 -7.944 3.270 1.00 0.75 C ATOM 956 OD1 ASN A 85 -11.366 -8.316 4.429 1.00 2.22 O ATOM 957 ND2 ASN A 85 -10.640 -8.649 2.406 1.00 0.78 N ATOM 0 H ASN A 85 -11.136 -4.617 3.897 1.00 0.31 H new ATOM 0 HA ASN A 85 -10.434 -6.258 1.539 1.00 0.35 H new ATOM 0 HB2 ASN A 85 -12.591 -6.253 3.638 1.00 0.44 H new ATOM 0 HB3 ASN A 85 -12.875 -7.037 2.097 1.00 0.44 H new ATOM 0 HD21 ASN A 85 -10.149 -9.490 2.710 1.00 0.78 H new ATOM 0 HD22 ASN A 85 -10.595 -8.357 1.430 1.00 0.78 H new ATOM 964 N THR A 86 -12.443 -5.438 -0.042 1.00 0.49 N ATOM 965 CA THR A 86 -13.030 -4.682 -1.179 1.00 0.62 C ATOM 966 C THR A 86 -14.290 -3.897 -0.809 1.00 0.55 C ATOM 967 O THR A 86 -14.600 -2.883 -1.435 1.00 0.64 O ATOM 968 CB THR A 86 -13.263 -5.547 -2.429 1.00 0.96 C ATOM 969 OG1 THR A 86 -14.192 -6.585 -2.208 1.00 1.41 O ATOM 970 CG2 THR A 86 -11.959 -6.190 -2.868 1.00 1.44 C ATOM 0 H THR A 86 -12.513 -6.451 -0.141 1.00 0.49 H new ATOM 0 HA THR A 86 -12.266 -3.947 -1.434 1.00 0.62 H new ATOM 0 HB THR A 86 -13.658 -4.877 -3.193 1.00 0.96 H new ATOM 0 HG1 THR A 86 -14.306 -7.103 -3.032 1.00 1.41 H new ATOM 0 HG21 THR A 86 -12.134 -6.800 -3.754 1.00 1.44 H new ATOM 0 HG22 THR A 86 -11.231 -5.413 -3.101 1.00 1.44 H new ATOM 0 HG23 THR A 86 -11.575 -6.818 -2.065 1.00 1.44 H new ATOM 978 N ASN A 87 -14.947 -4.276 0.289 1.00 0.50 N ATOM 979 CA ASN A 87 -16.006 -3.487 0.942 1.00 0.53 C ATOM 980 C ASN A 87 -15.424 -2.368 1.842 1.00 0.47 C ATOM 981 O ASN A 87 -16.144 -1.785 2.656 1.00 0.51 O ATOM 982 CB ASN A 87 -16.994 -4.411 1.688 1.00 0.69 C ATOM 983 CG ASN A 87 -17.906 -5.210 0.771 1.00 1.15 C ATOM 984 OD1 ASN A 87 -17.973 -5.010 -0.436 1.00 1.56 O ATOM 985 ND2 ASN A 87 -18.680 -6.111 1.322 1.00 1.73 N ATOM 0 H ASN A 87 -14.757 -5.159 0.763 1.00 0.50 H new ATOM 0 HA ASN A 87 -16.574 -2.973 0.167 1.00 0.53 H new ATOM 0 HB2 ASN A 87 -16.428 -5.102 2.313 1.00 0.69 H new ATOM 0 HB3 ASN A 87 -17.607 -3.806 2.356 1.00 0.69 H new ATOM 0 HD21 ASN A 87 -19.334 -6.642 0.747 1.00 1.73 H new ATOM 0 HD22 ASN A 87 -18.629 -6.282 2.326 1.00 1.73 H new ATOM 992 N ASN A 88 -14.126 -2.064 1.701 1.00 0.43 N ATOM 993 CA ASN A 88 -13.377 -0.995 2.358 1.00 0.42 C ATOM 994 C ASN A 88 -13.447 -1.061 3.897 1.00 0.41 C ATOM 995 O ASN A 88 -13.470 -0.037 4.575 1.00 0.46 O ATOM 996 CB ASN A 88 -13.734 0.377 1.751 1.00 0.44 C ATOM 997 CG ASN A 88 -14.189 0.358 0.301 1.00 0.47 C ATOM 998 OD1 ASN A 88 -15.371 0.253 -0.004 1.00 0.58 O ATOM 999 ND2 ASN A 88 -13.293 0.463 -0.644 1.00 0.45 N ATOM 0 H ASN A 88 -13.530 -2.605 1.074 1.00 0.43 H new ATOM 0 HA ASN A 88 -12.318 -1.150 2.150 1.00 0.42 H new ATOM 0 HB2 ASN A 88 -14.523 0.826 2.354 1.00 0.44 H new ATOM 0 HB3 ASN A 88 -12.862 1.027 1.831 1.00 0.44 H new ATOM 0 HD21 ASN A 88 -13.581 0.457 -1.623 1.00 0.45 H new ATOM 0 HD22 ASN A 88 -12.306 0.551 -0.403 1.00 0.45 H new ATOM 1006 N GLU A 89 -13.546 -2.268 4.459 1.00 0.39 N ATOM 1007 CA GLU A 89 -13.539 -2.510 5.907 1.00 0.38 C ATOM 1008 C GLU A 89 -12.110 -2.660 6.416 1.00 0.33 C ATOM 1009 O GLU A 89 -11.317 -3.346 5.771 1.00 0.31 O ATOM 1010 CB GLU A 89 -14.332 -3.781 6.253 1.00 0.42 C ATOM 1011 CG GLU A 89 -15.808 -3.447 6.497 1.00 0.49 C ATOM 1012 CD GLU A 89 -16.582 -4.637 7.073 1.00 0.92 C ATOM 1013 OE1 GLU A 89 -17.141 -5.465 6.313 1.00 1.78 O ATOM 1014 OE2 GLU A 89 -16.685 -4.701 8.322 1.00 2.34 O ATOM 0 H GLU A 89 -13.635 -3.123 3.910 1.00 0.39 H new ATOM 0 HA GLU A 89 -14.009 -1.653 6.389 1.00 0.38 H new ATOM 0 HB2 GLU A 89 -14.246 -4.502 5.440 1.00 0.42 H new ATOM 0 HB3 GLU A 89 -13.908 -4.250 7.141 1.00 0.42 H new ATOM 0 HG2 GLU A 89 -15.879 -2.603 7.183 1.00 0.49 H new ATOM 0 HG3 GLU A 89 -16.268 -3.136 5.559 1.00 0.49 H new ATOM 1021 N ILE A 90 -11.793 -2.082 7.580 1.00 0.34 N ATOM 1022 CA ILE A 90 -10.467 -2.224 8.185 1.00 0.33 C ATOM 1023 C ILE A 90 -10.361 -3.607 8.816 1.00 0.33 C ATOM 1024 O ILE A 90 -11.177 -3.978 9.667 1.00 0.39 O ATOM 1025 CB ILE A 90 -10.121 -1.119 9.201 1.00 0.36 C ATOM 1026 CG1 ILE A 90 -10.485 0.269 8.643 1.00 0.37 C ATOM 1027 CG2 ILE A 90 -8.620 -1.195 9.539 1.00 0.39 C ATOM 1028 CD1 ILE A 90 -10.114 1.429 9.563 1.00 0.42 C ATOM 0 H ILE A 90 -12.440 -1.510 8.122 1.00 0.34 H new ATOM 0 HA ILE A 90 -9.731 -2.112 7.389 1.00 0.33 H new ATOM 0 HB ILE A 90 -10.703 -1.272 10.110 1.00 0.36 H new ATOM 0 HG12 ILE A 90 -9.985 0.406 7.684 1.00 0.37 H new ATOM 0 HG13 ILE A 90 -11.557 0.301 8.450 1.00 0.37 H new ATOM 0 HG21 ILE A 90 -8.369 -0.415 10.258 1.00 0.39 H new ATOM 0 HG22 ILE A 90 -8.393 -2.171 9.968 1.00 0.39 H new ATOM 0 HG23 ILE A 90 -8.035 -1.053 8.630 1.00 0.39 H new ATOM 0 HD11 ILE A 90 -10.404 2.370 9.096 1.00 0.42 H new ATOM 0 HD12 ILE A 90 -10.635 1.320 10.514 1.00 0.42 H new ATOM 0 HD13 ILE A 90 -9.038 1.426 9.736 1.00 0.42 H new ATOM 1040 N ILE A 91 -9.345 -4.354 8.399 1.00 0.29 N ATOM 1041 CA ILE A 91 -9.093 -5.723 8.854 1.00 0.29 C ATOM 1042 C ILE A 91 -7.746 -5.891 9.562 1.00 0.29 C ATOM 1043 O ILE A 91 -6.799 -5.123 9.398 1.00 0.30 O ATOM 1044 CB ILE A 91 -9.330 -6.747 7.723 1.00 0.29 C ATOM 1045 CG1 ILE A 91 -8.320 -6.630 6.565 1.00 0.29 C ATOM 1046 CG2 ILE A 91 -10.738 -6.582 7.156 1.00 0.34 C ATOM 1047 CD1 ILE A 91 -8.054 -7.966 5.869 1.00 0.59 C ATOM 0 H ILE A 91 -8.658 -4.022 7.722 1.00 0.29 H new ATOM 0 HA ILE A 91 -9.831 -5.938 9.627 1.00 0.29 H new ATOM 0 HB ILE A 91 -9.199 -7.730 8.176 1.00 0.29 H new ATOM 0 HG12 ILE A 91 -8.695 -5.914 5.834 1.00 0.29 H new ATOM 0 HG13 ILE A 91 -7.380 -6.232 6.948 1.00 0.29 H new ATOM 0 HG21 ILE A 91 -10.897 -7.308 6.359 1.00 0.34 H new ATOM 0 HG22 ILE A 91 -11.470 -6.746 7.947 1.00 0.34 H new ATOM 0 HG23 ILE A 91 -10.854 -5.574 6.757 1.00 0.34 H new ATOM 0 HD11 ILE A 91 -7.335 -7.820 5.063 1.00 0.59 H new ATOM 0 HD12 ILE A 91 -7.651 -8.678 6.590 1.00 0.59 H new ATOM 0 HD13 ILE A 91 -8.986 -8.354 5.458 1.00 0.59 H new ATOM 1059 N ASP A 92 -7.709 -6.902 10.414 1.00 0.33 N ATOM 1060 CA ASP A 92 -6.532 -7.487 11.037 1.00 0.35 C ATOM 1061 C ASP A 92 -5.956 -8.537 10.074 1.00 0.40 C ATOM 1062 O ASP A 92 -6.636 -9.039 9.177 1.00 0.44 O ATOM 1063 CB ASP A 92 -6.959 -8.055 12.402 1.00 0.42 C ATOM 1064 CG ASP A 92 -6.214 -9.301 12.870 1.00 0.88 C ATOM 1065 OD1 ASP A 92 -6.602 -10.415 12.451 1.00 2.68 O ATOM 1066 OD2 ASP A 92 -5.289 -9.184 13.703 1.00 1.26 O ATOM 0 H ASP A 92 -8.565 -7.371 10.711 1.00 0.33 H new ATOM 0 HA ASP A 92 -5.739 -6.763 11.224 1.00 0.35 H new ATOM 0 HB2 ASP A 92 -6.831 -7.276 13.154 1.00 0.42 H new ATOM 0 HB3 ASP A 92 -8.023 -8.286 12.360 1.00 0.42 H new ATOM 1071 N GLU A 93 -4.689 -8.876 10.270 1.00 0.43 N ATOM 1072 CA GLU A 93 -3.906 -9.698 9.327 1.00 0.50 C ATOM 1073 C GLU A 93 -4.438 -11.125 9.114 1.00 0.55 C ATOM 1074 O GLU A 93 -4.026 -11.794 8.172 1.00 0.70 O ATOM 1075 CB GLU A 93 -2.431 -9.721 9.759 1.00 0.57 C ATOM 1076 CG GLU A 93 -2.242 -10.586 11.008 1.00 0.72 C ATOM 1077 CD GLU A 93 -0.901 -10.363 11.694 1.00 0.99 C ATOM 1078 OE1 GLU A 93 0.160 -10.607 11.073 1.00 1.81 O ATOM 1079 OE2 GLU A 93 -0.922 -10.000 12.897 1.00 2.10 O ATOM 0 H GLU A 93 -4.160 -8.590 11.094 1.00 0.43 H new ATOM 0 HA GLU A 93 -4.009 -9.218 8.354 1.00 0.50 H new ATOM 0 HB2 GLU A 93 -1.816 -10.108 8.947 1.00 0.57 H new ATOM 0 HB3 GLU A 93 -2.091 -8.705 9.960 1.00 0.57 H new ATOM 0 HG2 GLU A 93 -3.044 -10.373 11.715 1.00 0.72 H new ATOM 0 HG3 GLU A 93 -2.331 -11.637 10.732 1.00 0.72 H new ATOM 1086 N ASN A 94 -5.358 -11.601 9.957 1.00 0.52 N ATOM 1087 CA ASN A 94 -5.997 -12.906 9.838 1.00 0.53 C ATOM 1088 C ASN A 94 -7.341 -12.818 9.065 1.00 0.51 C ATOM 1089 O ASN A 94 -8.057 -13.815 8.942 1.00 0.58 O ATOM 1090 CB ASN A 94 -6.148 -13.508 11.247 1.00 0.60 C ATOM 1091 CG ASN A 94 -4.887 -13.446 12.107 1.00 1.67 C ATOM 1092 OD1 ASN A 94 -4.043 -14.331 12.109 1.00 3.46 O ATOM 1093 ND2 ASN A 94 -4.708 -12.391 12.866 1.00 1.34 N ATOM 0 H ASN A 94 -5.686 -11.070 10.764 1.00 0.52 H new ATOM 0 HA ASN A 94 -5.372 -13.573 9.244 1.00 0.53 H new ATOM 0 HB2 ASN A 94 -6.951 -12.985 11.766 1.00 0.60 H new ATOM 0 HB3 ASN A 94 -6.455 -14.549 11.151 1.00 0.60 H new ATOM 0 HD21 ASN A 94 -3.873 -12.317 13.448 1.00 1.34 H new ATOM 0 HD22 ASN A 94 -5.404 -11.645 12.875 1.00 1.34 H new ATOM 1100 N GLY A 95 -7.720 -11.628 8.571 1.00 0.46 N ATOM 1101 CA GLY A 95 -8.986 -11.351 7.878 1.00 0.46 C ATOM 1102 C GLY A 95 -10.152 -10.976 8.800 1.00 0.46 C ATOM 1103 O GLY A 95 -11.265 -10.751 8.316 1.00 0.56 O ATOM 0 H GLY A 95 -7.128 -10.801 8.647 1.00 0.46 H new ATOM 0 HA2 GLY A 95 -8.826 -10.539 7.168 1.00 0.46 H new ATOM 0 HA3 GLY A 95 -9.267 -12.230 7.298 1.00 0.46 H new ATOM 1107 N GLN A 96 -9.905 -10.870 10.110 1.00 0.43 N ATOM 1108 CA GLN A 96 -10.878 -10.390 11.088 1.00 0.43 C ATOM 1109 C GLN A 96 -11.133 -8.898 10.871 1.00 0.38 C ATOM 1110 O GLN A 96 -10.212 -8.143 10.587 1.00 0.36 O ATOM 1111 CB GLN A 96 -10.364 -10.673 12.508 1.00 0.48 C ATOM 1112 CG GLN A 96 -11.308 -10.092 13.571 1.00 0.56 C ATOM 1113 CD GLN A 96 -10.904 -10.408 15.000 1.00 1.45 C ATOM 1114 OE1 GLN A 96 -9.746 -10.621 15.345 1.00 2.49 O ATOM 1115 NE2 GLN A 96 -11.850 -10.379 15.901 1.00 1.75 N ATOM 0 H GLN A 96 -9.007 -11.120 10.524 1.00 0.43 H new ATOM 0 HA GLN A 96 -11.824 -10.915 10.960 1.00 0.43 H new ATOM 0 HB2 GLN A 96 -10.267 -11.749 12.654 1.00 0.48 H new ATOM 0 HB3 GLN A 96 -9.369 -10.244 12.629 1.00 0.48 H new ATOM 0 HG2 GLN A 96 -11.353 -9.010 13.449 1.00 0.56 H new ATOM 0 HG3 GLN A 96 -12.314 -10.475 13.396 1.00 0.56 H new ATOM 0 HE21 GLN A 96 -12.815 -10.202 15.622 1.00 1.75 H new ATOM 0 HE22 GLN A 96 -11.623 -10.533 16.884 1.00 1.75 H new ATOM 1124 N THR A 97 -12.371 -8.453 11.047 1.00 0.44 N ATOM 1125 CA THR A 97 -12.793 -7.075 10.792 1.00 0.44 C ATOM 1126 C THR A 97 -12.936 -6.282 12.091 1.00 0.45 C ATOM 1127 O THR A 97 -13.303 -6.831 13.134 1.00 0.57 O ATOM 1128 CB THR A 97 -14.067 -7.049 9.944 1.00 0.54 C ATOM 1129 OG1 THR A 97 -15.188 -7.508 10.671 1.00 0.69 O ATOM 1130 CG2 THR A 97 -13.946 -7.910 8.682 1.00 0.53 C ATOM 0 H THR A 97 -13.128 -9.050 11.378 1.00 0.44 H new ATOM 0 HA THR A 97 -12.012 -6.578 10.216 1.00 0.44 H new ATOM 0 HB THR A 97 -14.203 -6.005 9.661 1.00 0.54 H new ATOM 0 HG1 THR A 97 -15.984 -7.476 10.100 1.00 0.69 H new ATOM 0 HG21 THR A 97 -14.876 -7.858 8.115 1.00 0.53 H new ATOM 0 HG22 THR A 97 -13.125 -7.541 8.067 1.00 0.53 H new ATOM 0 HG23 THR A 97 -13.751 -8.945 8.965 1.00 0.53 H new ATOM 1138 N LEU A 98 -12.613 -4.987 12.052 1.00 0.42 N ATOM 1139 CA LEU A 98 -12.503 -4.147 13.252 1.00 0.46 C ATOM 1140 C LEU A 98 -13.759 -3.304 13.541 1.00 0.53 C ATOM 1141 O LEU A 98 -13.818 -2.641 14.578 1.00 0.65 O ATOM 1142 CB LEU A 98 -11.215 -3.298 13.161 1.00 0.44 C ATOM 1143 CG LEU A 98 -9.890 -4.012 13.511 1.00 0.43 C ATOM 1144 CD1 LEU A 98 -9.828 -4.524 14.949 1.00 0.48 C ATOM 1145 CD2 LEU A 98 -9.536 -5.184 12.602 1.00 0.37 C ATOM 0 H LEU A 98 -12.419 -4.487 11.184 1.00 0.42 H new ATOM 0 HA LEU A 98 -12.431 -4.807 14.117 1.00 0.46 H new ATOM 0 HB2 LEU A 98 -11.135 -2.909 12.146 1.00 0.44 H new ATOM 0 HB3 LEU A 98 -11.325 -2.440 13.824 1.00 0.44 H new ATOM 0 HG LEU A 98 -9.163 -3.214 13.363 1.00 0.43 H new ATOM 0 HD11 LEU A 98 -8.869 -5.013 15.120 1.00 0.48 H new ATOM 0 HD12 LEU A 98 -9.936 -3.687 15.638 1.00 0.48 H new ATOM 0 HD13 LEU A 98 -10.634 -5.238 15.116 1.00 0.48 H new ATOM 0 HD21 LEU A 98 -8.591 -5.622 12.924 1.00 0.37 H new ATOM 0 HD22 LEU A 98 -10.322 -5.937 12.656 1.00 0.37 H new ATOM 0 HD23 LEU A 98 -9.441 -4.832 11.575 1.00 0.37 H new ATOM 1157 N GLY A 99 -14.767 -3.331 12.664 1.00 0.52 N ATOM 1158 CA GLY A 99 -16.012 -2.572 12.821 1.00 0.58 C ATOM 1159 C GLY A 99 -15.910 -1.127 12.326 1.00 0.59 C ATOM 1160 O GLY A 99 -16.633 -0.267 12.826 1.00 0.69 O ATOM 0 H GLY A 99 -14.741 -3.890 11.811 1.00 0.52 H new ATOM 0 HA2 GLY A 99 -16.809 -3.079 12.277 1.00 0.58 H new ATOM 0 HA3 GLY A 99 -16.296 -2.569 13.873 1.00 0.58 H new ATOM 1164 N VAL A 100 -14.997 -0.847 11.389 1.00 0.51 N ATOM 1165 CA VAL A 100 -14.774 0.478 10.798 1.00 0.52 C ATOM 1166 C VAL A 100 -14.486 0.333 9.297 1.00 0.47 C ATOM 1167 O VAL A 100 -14.019 -0.713 8.832 1.00 0.46 O ATOM 1168 CB VAL A 100 -13.709 1.269 11.596 1.00 0.66 C ATOM 1169 CG1 VAL A 100 -12.507 0.414 12.005 1.00 2.40 C ATOM 1170 CG2 VAL A 100 -13.264 2.575 10.919 1.00 2.38 C ATOM 0 H VAL A 100 -14.373 -1.559 11.009 1.00 0.51 H new ATOM 0 HA VAL A 100 -15.677 1.084 10.872 1.00 0.52 H new ATOM 0 HB VAL A 100 -14.223 1.561 12.512 1.00 0.66 H new ATOM 0 HG11 VAL A 100 -11.797 1.027 12.561 1.00 2.40 H new ATOM 0 HG12 VAL A 100 -12.844 -0.411 12.633 1.00 2.40 H new ATOM 0 HG13 VAL A 100 -12.023 0.017 11.113 1.00 2.40 H new ATOM 0 HG21 VAL A 100 -12.517 3.070 11.540 1.00 2.38 H new ATOM 0 HG22 VAL A 100 -12.834 2.351 9.943 1.00 2.38 H new ATOM 0 HG23 VAL A 100 -14.125 3.231 10.794 1.00 2.38 H new ATOM 1180 N ASN A 101 -14.820 1.372 8.535 1.00 0.50 N ATOM 1181 CA ASN A 101 -14.861 1.453 7.090 1.00 0.47 C ATOM 1182 C ASN A 101 -14.278 2.798 6.616 1.00 0.45 C ATOM 1183 O ASN A 101 -14.257 3.771 7.373 1.00 0.49 O ATOM 1184 CB ASN A 101 -16.345 1.263 6.736 1.00 0.57 C ATOM 1185 CG ASN A 101 -16.732 1.637 5.336 1.00 0.80 C ATOM 1186 OD1 ASN A 101 -17.571 2.496 5.103 1.00 1.34 O ATOM 1187 ND2 ASN A 101 -16.115 1.044 4.360 1.00 0.76 N ATOM 0 H ASN A 101 -15.093 2.258 8.961 1.00 0.50 H new ATOM 0 HA ASN A 101 -14.254 0.699 6.590 1.00 0.47 H new ATOM 0 HB2 ASN A 101 -16.608 0.218 6.899 1.00 0.57 H new ATOM 0 HB3 ASN A 101 -16.944 1.854 7.429 1.00 0.57 H new ATOM 0 HD21 ASN A 101 -16.329 1.294 3.395 1.00 0.76 H new ATOM 0 HD22 ASN A 101 -15.416 0.328 4.559 1.00 0.76 H new ATOM 1194 N ILE A 102 -13.783 2.838 5.376 1.00 0.43 N ATOM 1195 CA ILE A 102 -13.063 3.977 4.784 1.00 0.44 C ATOM 1196 C ILE A 102 -13.545 4.236 3.346 1.00 0.49 C ATOM 1197 O ILE A 102 -13.585 3.318 2.529 1.00 0.56 O ATOM 1198 CB ILE A 102 -11.525 3.761 4.830 1.00 0.38 C ATOM 1199 CG1 ILE A 102 -11.003 3.388 6.241 1.00 0.37 C ATOM 1200 CG2 ILE A 102 -10.833 5.053 4.359 1.00 0.41 C ATOM 1201 CD1 ILE A 102 -9.536 2.929 6.287 1.00 0.36 C ATOM 0 H ILE A 102 -13.874 2.053 4.731 1.00 0.43 H new ATOM 0 HA ILE A 102 -13.286 4.861 5.381 1.00 0.44 H new ATOM 0 HB ILE A 102 -11.293 2.921 4.175 1.00 0.38 H new ATOM 0 HG12 ILE A 102 -11.119 4.252 6.896 1.00 0.37 H new ATOM 0 HG13 ILE A 102 -11.630 2.594 6.647 1.00 0.37 H new ATOM 0 HG21 ILE A 102 -9.752 4.917 4.386 1.00 0.41 H new ATOM 0 HG22 ILE A 102 -11.145 5.282 3.340 1.00 0.41 H new ATOM 0 HG23 ILE A 102 -11.112 5.876 5.017 1.00 0.41 H new ATOM 0 HD11 ILE A 102 -9.262 2.690 7.314 1.00 0.36 H new ATOM 0 HD12 ILE A 102 -9.412 2.044 5.663 1.00 0.36 H new ATOM 0 HD13 ILE A 102 -8.893 3.727 5.916 1.00 0.36 H new ATOM 1213 N ASP A 103 -13.867 5.484 2.998 1.00 0.57 N ATOM 1214 CA ASP A 103 -14.294 5.825 1.627 1.00 0.68 C ATOM 1215 C ASP A 103 -13.089 5.844 0.669 1.00 0.61 C ATOM 1216 O ASP A 103 -12.058 6.407 1.044 1.00 0.58 O ATOM 1217 CB ASP A 103 -14.970 7.201 1.581 1.00 0.88 C ATOM 1218 CG ASP A 103 -15.940 7.328 0.412 1.00 1.13 C ATOM 1219 OD1 ASP A 103 -17.149 7.005 0.557 1.00 2.26 O ATOM 1220 OD2 ASP A 103 -15.478 7.761 -0.667 1.00 1.97 O ATOM 0 H ASP A 103 -13.842 6.277 3.639 1.00 0.57 H new ATOM 0 HA ASP A 103 -15.005 5.060 1.315 1.00 0.68 H new ATOM 0 HB2 ASP A 103 -15.505 7.372 2.515 1.00 0.88 H new ATOM 0 HB3 ASP A 103 -14.207 7.976 1.504 1.00 0.88 H new ATOM 1225 N PRO A 104 -13.164 5.329 -0.577 1.00 0.66 N ATOM 1226 CA PRO A 104 -12.013 5.373 -1.478 1.00 0.63 C ATOM 1227 C PRO A 104 -11.695 6.791 -1.964 1.00 0.69 C ATOM 1228 O PRO A 104 -10.552 7.077 -2.315 1.00 0.68 O ATOM 1229 CB PRO A 104 -12.346 4.405 -2.608 1.00 0.67 C ATOM 1230 CG PRO A 104 -13.872 4.388 -2.668 1.00 0.78 C ATOM 1231 CD PRO A 104 -14.333 4.785 -1.266 1.00 0.76 C ATOM 0 HA PRO A 104 -11.096 5.074 -0.970 1.00 0.63 H new ATOM 0 HB2 PRO A 104 -11.916 4.737 -3.553 1.00 0.67 H new ATOM 0 HB3 PRO A 104 -11.947 3.411 -2.408 1.00 0.67 H new ATOM 0 HG2 PRO A 104 -14.244 5.086 -3.417 1.00 0.78 H new ATOM 0 HG3 PRO A 104 -14.244 3.400 -2.940 1.00 0.78 H new ATOM 0 HD2 PRO A 104 -15.132 5.525 -1.316 1.00 0.76 H new ATOM 0 HD3 PRO A 104 -14.731 3.923 -0.731 1.00 0.76 H new ATOM 1239 N GLN A 105 -12.689 7.678 -1.958 1.00 0.81 N ATOM 1240 CA GLN A 105 -12.580 9.068 -2.388 1.00 0.88 C ATOM 1241 C GLN A 105 -12.192 9.993 -1.227 1.00 0.92 C ATOM 1242 O GLN A 105 -11.273 10.800 -1.362 1.00 0.96 O ATOM 1243 CB GLN A 105 -13.916 9.485 -3.017 1.00 0.99 C ATOM 1244 CG GLN A 105 -14.414 8.513 -4.090 1.00 0.99 C ATOM 1245 CD GLN A 105 -13.451 8.431 -5.268 1.00 0.92 C ATOM 1246 OE1 GLN A 105 -13.400 9.305 -6.122 1.00 1.35 O ATOM 1247 NE2 GLN A 105 -12.591 7.438 -5.304 1.00 0.80 N ATOM 0 H GLN A 105 -13.628 7.437 -1.641 1.00 0.81 H new ATOM 0 HA GLN A 105 -11.783 9.158 -3.126 1.00 0.88 H new ATOM 0 HB2 GLN A 105 -14.669 9.565 -2.233 1.00 0.99 H new ATOM 0 HB3 GLN A 105 -13.808 10.476 -3.457 1.00 0.99 H new ATOM 0 HG2 GLN A 105 -14.540 7.522 -3.653 1.00 0.99 H new ATOM 0 HG3 GLN A 105 -15.394 8.832 -4.443 1.00 0.99 H new ATOM 0 HE21 GLN A 105 -12.628 6.706 -4.595 1.00 0.80 H new ATOM 0 HE22 GLN A 105 -11.887 7.400 -6.041 1.00 0.80 H new ATOM 1256 N THR A 106 -12.867 9.861 -0.079 1.00 0.93 N ATOM 1257 CA THR A 106 -12.688 10.761 1.083 1.00 0.97 C ATOM 1258 C THR A 106 -11.513 10.358 1.974 1.00 0.86 C ATOM 1259 O THR A 106 -10.920 11.216 2.629 1.00 0.91 O ATOM 1260 CB THR A 106 -13.975 10.892 1.929 1.00 1.04 C ATOM 1261 OG1 THR A 106 -14.139 9.830 2.835 1.00 0.94 O ATOM 1262 CG2 THR A 106 -15.223 10.965 1.055 1.00 1.13 C ATOM 0 H THR A 106 -13.557 9.126 0.078 1.00 0.93 H new ATOM 0 HA THR A 106 -12.459 11.737 0.655 1.00 0.97 H new ATOM 0 HB THR A 106 -13.855 11.821 2.487 1.00 1.04 H new ATOM 0 HG1 THR A 106 -15.035 9.873 3.230 1.00 0.94 H new ATOM 0 HG21 THR A 106 -16.106 11.056 1.688 1.00 1.13 H new ATOM 0 HG22 THR A 106 -15.157 11.832 0.397 1.00 1.13 H new ATOM 0 HG23 THR A 106 -15.300 10.059 0.454 1.00 1.13 H new ATOM 1270 N PHE A 107 -11.164 9.064 1.993 1.00 0.71 N ATOM 1271 CA PHE A 107 -10.164 8.468 2.902 1.00 0.60 C ATOM 1272 C PHE A 107 -10.465 8.742 4.400 1.00 0.59 C ATOM 1273 O PHE A 107 -9.558 8.737 5.241 1.00 0.69 O ATOM 1274 CB PHE A 107 -8.729 8.834 2.453 1.00 0.71 C ATOM 1275 CG PHE A 107 -8.009 7.915 1.474 1.00 0.59 C ATOM 1276 CD1 PHE A 107 -8.676 7.102 0.532 1.00 1.81 C ATOM 1277 CD2 PHE A 107 -6.601 7.878 1.525 1.00 1.38 C ATOM 1278 CE1 PHE A 107 -7.939 6.250 -0.299 1.00 1.80 C ATOM 1279 CE2 PHE A 107 -5.865 7.044 0.667 1.00 1.37 C ATOM 1280 CZ PHE A 107 -6.537 6.213 -0.241 1.00 0.57 C ATOM 0 H PHE A 107 -11.579 8.380 1.360 1.00 0.71 H new ATOM 0 HA PHE A 107 -10.239 7.383 2.823 1.00 0.60 H new ATOM 0 HB2 PHE A 107 -8.766 9.828 2.006 1.00 0.71 H new ATOM 0 HB3 PHE A 107 -8.112 8.910 3.349 1.00 0.71 H new ATOM 0 HD1 PHE A 107 -9.753 7.137 0.453 1.00 1.81 H new ATOM 0 HD2 PHE A 107 -6.079 8.501 2.236 1.00 1.38 H new ATOM 0 HE1 PHE A 107 -8.458 5.610 -0.997 1.00 1.80 H new ATOM 0 HE2 PHE A 107 -4.786 7.043 0.706 1.00 1.37 H new ATOM 0 HZ PHE A 107 -5.981 5.551 -0.889 1.00 0.57 H new ATOM 1290 N LYS A 108 -11.741 8.976 4.749 1.00 0.63 N ATOM 1291 CA LYS A 108 -12.213 9.232 6.124 1.00 0.65 C ATOM 1292 C LYS A 108 -12.868 7.987 6.738 1.00 0.59 C ATOM 1293 O LYS A 108 -13.388 7.131 6.019 1.00 0.56 O ATOM 1294 CB LYS A 108 -13.081 10.510 6.141 1.00 0.79 C ATOM 1295 CG LYS A 108 -14.592 10.284 5.975 1.00 0.85 C ATOM 1296 CD LYS A 108 -15.323 10.205 7.324 1.00 1.10 C ATOM 1297 CE LYS A 108 -16.602 9.374 7.209 1.00 1.59 C ATOM 1298 NZ LYS A 108 -17.326 9.326 8.495 1.00 2.45 N ATOM 0 H LYS A 108 -12.496 8.993 4.064 1.00 0.63 H new ATOM 0 HA LYS A 108 -11.367 9.431 6.782 1.00 0.65 H new ATOM 0 HB2 LYS A 108 -12.910 11.032 7.083 1.00 0.79 H new ATOM 0 HB3 LYS A 108 -12.740 11.171 5.344 1.00 0.79 H new ATOM 0 HG2 LYS A 108 -15.015 11.095 5.382 1.00 0.85 H new ATOM 0 HG3 LYS A 108 -14.760 9.362 5.419 1.00 0.85 H new ATOM 0 HD2 LYS A 108 -14.665 9.764 8.073 1.00 1.10 H new ATOM 0 HD3 LYS A 108 -15.568 11.210 7.668 1.00 1.10 H new ATOM 0 HE2 LYS A 108 -17.248 9.800 6.441 1.00 1.59 H new ATOM 0 HE3 LYS A 108 -16.353 8.362 6.891 1.00 1.59 H new ATOM 0 HZ1 LYS A 108 -18.230 8.828 8.366 1.00 2.45 H new ATOM 0 HZ2 LYS A 108 -16.750 8.822 9.199 1.00 2.45 H new ATOM 0 HZ3 LYS A 108 -17.509 10.295 8.827 1.00 2.45 H new ATOM 1312 N LEU A 109 -12.847 7.886 8.064 1.00 0.64 N ATOM 1313 CA LEU A 109 -13.270 6.722 8.851 1.00 0.61 C ATOM 1314 C LEU A 109 -14.743 6.796 9.285 1.00 0.66 C ATOM 1315 O LEU A 109 -15.214 7.836 9.754 1.00 0.71 O ATOM 1316 CB LEU A 109 -12.366 6.622 10.093 1.00 0.62 C ATOM 1317 CG LEU A 109 -10.896 6.304 9.770 1.00 0.58 C ATOM 1318 CD1 LEU A 109 -9.950 6.784 10.864 1.00 0.63 C ATOM 1319 CD2 LEU A 109 -10.703 4.801 9.662 1.00 0.52 C ATOM 0 H LEU A 109 -12.518 8.651 8.653 1.00 0.64 H new ATOM 0 HA LEU A 109 -13.176 5.837 8.221 1.00 0.61 H new ATOM 0 HB2 LEU A 109 -12.412 7.563 10.641 1.00 0.62 H new ATOM 0 HB3 LEU A 109 -12.758 5.849 10.754 1.00 0.62 H new ATOM 0 HG LEU A 109 -10.669 6.815 8.834 1.00 0.58 H new ATOM 0 HD11 LEU A 109 -8.924 6.537 10.592 1.00 0.63 H new ATOM 0 HD12 LEU A 109 -10.045 7.864 10.979 1.00 0.63 H new ATOM 0 HD13 LEU A 109 -10.203 6.295 11.805 1.00 0.63 H new ATOM 0 HD21 LEU A 109 -9.660 4.584 9.433 1.00 0.52 H new ATOM 0 HD22 LEU A 109 -10.973 4.331 10.608 1.00 0.52 H new ATOM 0 HD23 LEU A 109 -11.338 4.409 8.868 1.00 0.52 H new ATOM 1331 N SER A 110 -15.441 5.660 9.248 1.00 0.66 N ATOM 1332 CA SER A 110 -16.816 5.492 9.767 1.00 0.72 C ATOM 1333 C SER A 110 -16.925 5.507 11.305 1.00 0.81 C ATOM 1334 O SER A 110 -18.030 5.456 11.852 1.00 1.02 O ATOM 1335 CB SER A 110 -17.433 4.197 9.228 1.00 0.75 C ATOM 1336 OG SER A 110 -16.756 3.089 9.788 1.00 1.24 O ATOM 0 H SER A 110 -15.062 4.802 8.847 1.00 0.66 H new ATOM 0 HA SER A 110 -17.366 6.363 9.411 1.00 0.72 H new ATOM 0 HB2 SER A 110 -18.493 4.154 9.478 1.00 0.75 H new ATOM 0 HB3 SER A 110 -17.360 4.171 8.141 1.00 0.75 H new ATOM 0 HG SER A 110 -17.244 2.266 9.576 1.00 1.24 H new ATOM 1342 N GLY A 111 -15.795 5.604 12.010 1.00 0.75 N ATOM 1343 CA GLY A 111 -15.677 5.647 13.471 1.00 0.81 C ATOM 1344 C GLY A 111 -14.277 6.100 13.906 1.00 0.78 C ATOM 1345 O GLY A 111 -13.542 6.679 13.103 1.00 0.81 O ATOM 0 H GLY A 111 -14.886 5.658 11.551 1.00 0.75 H new ATOM 0 HA2 GLY A 111 -16.424 6.328 13.878 1.00 0.81 H new ATOM 0 HA3 GLY A 111 -15.886 4.660 13.884 1.00 0.81 H new ATOM 1349 N ALA A 112 -13.906 5.841 15.158 1.00 0.83 N ATOM 1350 CA ALA A 112 -12.564 6.075 15.695 1.00 0.83 C ATOM 1351 C ALA A 112 -11.547 4.988 15.266 1.00 0.76 C ATOM 1352 O ALA A 112 -11.926 3.928 14.753 1.00 0.78 O ATOM 1353 CB ALA A 112 -12.684 6.185 17.220 1.00 0.95 C ATOM 0 H ALA A 112 -14.548 5.451 15.848 1.00 0.83 H new ATOM 0 HA ALA A 112 -12.167 7.003 15.283 1.00 0.83 H new ATOM 0 HB1 ALA A 112 -11.698 6.360 17.651 1.00 0.95 H new ATOM 0 HB2 ALA A 112 -13.344 7.015 17.474 1.00 0.95 H new ATOM 0 HB3 ALA A 112 -13.096 5.259 17.620 1.00 0.95 H new ATOM 1359 N MET A 113 -10.252 5.240 15.494 1.00 0.77 N ATOM 1360 CA MET A 113 -9.144 4.336 15.143 1.00 0.74 C ATOM 1361 C MET A 113 -9.266 2.930 15.780 1.00 0.73 C ATOM 1362 O MET A 113 -9.682 2.813 16.940 1.00 0.92 O ATOM 1363 CB MET A 113 -7.797 4.983 15.531 1.00 0.87 C ATOM 1364 CG MET A 113 -7.169 5.762 14.367 1.00 1.15 C ATOM 1365 SD MET A 113 -6.122 4.721 13.308 1.00 1.31 S ATOM 1366 CE MET A 113 -6.143 5.621 11.742 1.00 1.14 C ATOM 0 H MET A 113 -9.935 6.101 15.940 1.00 0.77 H new ATOM 0 HA MET A 113 -9.193 4.186 14.064 1.00 0.74 H new ATOM 0 HB2 MET A 113 -7.949 5.655 16.375 1.00 0.87 H new ATOM 0 HB3 MET A 113 -7.106 4.208 15.861 1.00 0.87 H new ATOM 0 HG2 MET A 113 -7.961 6.206 13.764 1.00 1.15 H new ATOM 0 HG3 MET A 113 -6.573 6.583 14.765 1.00 1.15 H new ATOM 0 HE1 MET A 113 -5.237 5.394 11.180 1.00 1.14 H new ATOM 0 HE2 MET A 113 -7.015 5.321 11.162 1.00 1.14 H new ATOM 0 HE3 MET A 113 -6.189 6.692 11.939 1.00 1.14 H new ATOM 1376 N PRO A 114 -8.867 1.859 15.060 1.00 0.56 N ATOM 1377 CA PRO A 114 -8.939 0.468 15.517 1.00 0.51 C ATOM 1378 C PRO A 114 -7.800 0.061 16.471 1.00 0.60 C ATOM 1379 O PRO A 114 -6.758 0.719 16.547 1.00 0.77 O ATOM 1380 CB PRO A 114 -8.864 -0.363 14.235 1.00 0.42 C ATOM 1381 CG PRO A 114 -7.934 0.476 13.368 1.00 0.49 C ATOM 1382 CD PRO A 114 -8.366 1.892 13.692 1.00 0.54 C ATOM 0 HA PRO A 114 -9.851 0.314 16.094 1.00 0.51 H new ATOM 0 HB2 PRO A 114 -8.463 -1.360 14.418 1.00 0.42 H new ATOM 0 HB3 PRO A 114 -9.844 -0.493 13.775 1.00 0.42 H new ATOM 0 HG2 PRO A 114 -6.886 0.306 13.615 1.00 0.49 H new ATOM 0 HG3 PRO A 114 -8.053 0.249 12.309 1.00 0.49 H new ATOM 0 HD2 PRO A 114 -7.530 2.585 13.600 1.00 0.54 H new ATOM 0 HD3 PRO A 114 -9.139 2.231 13.002 1.00 0.54 H new ATOM 1390 N ALA A 115 -7.971 -1.083 17.139 1.00 0.60 N ATOM 1391 CA ALA A 115 -7.041 -1.635 18.127 1.00 0.73 C ATOM 1392 C ALA A 115 -5.884 -2.473 17.548 1.00 0.77 C ATOM 1393 O ALA A 115 -4.731 -2.275 17.935 1.00 1.31 O ATOM 1394 CB ALA A 115 -7.871 -2.484 19.092 1.00 0.83 C ATOM 0 H ALA A 115 -8.792 -1.672 17.001 1.00 0.60 H new ATOM 0 HA ALA A 115 -6.545 -0.796 18.615 1.00 0.73 H new ATOM 0 HB1 ALA A 115 -7.218 -2.918 19.849 1.00 0.83 H new ATOM 0 HB2 ALA A 115 -8.621 -1.857 19.575 1.00 0.83 H new ATOM 0 HB3 ALA A 115 -8.367 -3.283 18.540 1.00 0.83 H new ATOM 1400 N THR A 116 -6.193 -3.420 16.650 1.00 0.63 N ATOM 1401 CA THR A 116 -5.259 -4.458 16.143 1.00 0.63 C ATOM 1402 C THR A 116 -5.233 -4.574 14.611 1.00 0.48 C ATOM 1403 O THR A 116 -4.716 -5.540 14.047 1.00 0.51 O ATOM 1404 CB THR A 116 -5.560 -5.835 16.758 1.00 0.76 C ATOM 1405 OG1 THR A 116 -6.893 -6.218 16.501 1.00 0.84 O ATOM 1406 CG2 THR A 116 -5.386 -5.861 18.272 1.00 0.95 C ATOM 0 H THR A 116 -7.124 -3.494 16.240 1.00 0.63 H new ATOM 0 HA THR A 116 -4.270 -4.125 16.456 1.00 0.63 H new ATOM 0 HB THR A 116 -4.846 -6.517 16.296 1.00 0.76 H new ATOM 0 HG1 THR A 116 -7.063 -7.097 16.899 1.00 0.84 H new ATOM 0 HG21 THR A 116 -5.613 -6.859 18.647 1.00 0.95 H new ATOM 0 HG22 THR A 116 -4.357 -5.603 18.525 1.00 0.95 H new ATOM 0 HG23 THR A 116 -6.063 -5.139 18.729 1.00 0.95 H new ATOM 1414 N ALA A 117 -5.799 -3.581 13.918 1.00 0.40 N ATOM 1415 CA ALA A 117 -5.805 -3.507 12.450 1.00 0.34 C ATOM 1416 C ALA A 117 -4.401 -3.656 11.820 1.00 0.32 C ATOM 1417 O ALA A 117 -3.406 -3.205 12.388 1.00 0.38 O ATOM 1418 CB ALA A 117 -6.430 -2.175 12.028 1.00 0.34 C ATOM 0 H ALA A 117 -6.272 -2.795 14.364 1.00 0.40 H new ATOM 0 HA ALA A 117 -6.392 -4.349 12.083 1.00 0.34 H new ATOM 0 HB1 ALA A 117 -6.441 -2.107 10.940 1.00 0.34 H new ATOM 0 HB2 ALA A 117 -7.451 -2.116 12.405 1.00 0.34 H new ATOM 0 HB3 ALA A 117 -5.844 -1.352 12.437 1.00 0.34 H new ATOM 1424 N MET A 118 -4.335 -4.239 10.622 1.00 0.26 N ATOM 1425 CA MET A 118 -3.133 -4.472 9.826 1.00 0.25 C ATOM 1426 C MET A 118 -2.642 -3.160 9.213 1.00 0.25 C ATOM 1427 O MET A 118 -3.259 -2.620 8.298 1.00 0.43 O ATOM 1428 CB MET A 118 -3.491 -5.511 8.756 1.00 0.24 C ATOM 1429 CG MET A 118 -2.354 -5.835 7.785 1.00 0.27 C ATOM 1430 SD MET A 118 -2.644 -7.407 6.931 1.00 1.81 S ATOM 1431 CE MET A 118 -0.960 -7.992 6.635 1.00 0.59 C ATOM 0 H MET A 118 -5.174 -4.582 10.154 1.00 0.26 H new ATOM 0 HA MET A 118 -2.316 -4.850 10.441 1.00 0.25 H new ATOM 0 HB2 MET A 118 -3.804 -6.431 9.250 1.00 0.24 H new ATOM 0 HB3 MET A 118 -4.347 -5.148 8.187 1.00 0.24 H new ATOM 0 HG2 MET A 118 -2.259 -5.033 7.053 1.00 0.27 H new ATOM 0 HG3 MET A 118 -1.411 -5.883 8.329 1.00 0.27 H new ATOM 0 HE1 MET A 118 -0.921 -9.073 6.770 1.00 0.59 H new ATOM 0 HE2 MET A 118 -0.662 -7.743 5.617 1.00 0.59 H new ATOM 0 HE3 MET A 118 -0.280 -7.514 7.340 1.00 0.59 H new ATOM 1441 N LYS A 119 -1.552 -2.621 9.748 1.00 0.33 N ATOM 1442 CA LYS A 119 -1.001 -1.293 9.411 1.00 0.34 C ATOM 1443 C LYS A 119 0.480 -1.172 9.779 1.00 0.41 C ATOM 1444 O LYS A 119 0.928 -1.823 10.722 1.00 0.58 O ATOM 1445 CB LYS A 119 -1.825 -0.219 10.132 1.00 0.36 C ATOM 1446 CG LYS A 119 -1.831 -0.346 11.663 1.00 0.45 C ATOM 1447 CD LYS A 119 -3.184 0.095 12.230 1.00 0.57 C ATOM 1448 CE LYS A 119 -3.296 -0.248 13.719 1.00 0.78 C ATOM 1449 NZ LYS A 119 -2.471 0.637 14.576 1.00 0.93 N ATOM 0 H LYS A 119 -1.000 -3.107 10.455 1.00 0.33 H new ATOM 0 HA LYS A 119 -1.067 -1.155 8.332 1.00 0.34 H new ATOM 0 HB2 LYS A 119 -1.435 0.763 9.862 1.00 0.36 H new ATOM 0 HB3 LYS A 119 -2.853 -0.264 9.772 1.00 0.36 H new ATOM 0 HG2 LYS A 119 -1.628 -1.378 11.949 1.00 0.45 H new ATOM 0 HG3 LYS A 119 -1.035 0.265 12.088 1.00 0.45 H new ATOM 0 HD2 LYS A 119 -3.308 1.169 12.091 1.00 0.57 H new ATOM 0 HD3 LYS A 119 -3.989 -0.392 11.680 1.00 0.57 H new ATOM 0 HE2 LYS A 119 -4.339 -0.175 14.027 1.00 0.78 H new ATOM 0 HE3 LYS A 119 -2.990 -1.283 13.873 1.00 0.78 H new ATOM 0 HZ1 LYS A 119 -2.585 0.360 15.572 1.00 0.93 H new ATOM 0 HZ2 LYS A 119 -1.471 0.549 14.304 1.00 0.93 H new ATOM 0 HZ3 LYS A 119 -2.778 1.623 14.454 1.00 0.93 H new ATOM 1463 N LYS A 120 1.242 -0.338 9.063 1.00 0.33 N ATOM 1464 CA LYS A 120 2.690 -0.121 9.283 1.00 0.35 C ATOM 1465 C LYS A 120 3.156 1.184 8.620 1.00 0.37 C ATOM 1466 O LYS A 120 2.388 1.800 7.883 1.00 0.75 O ATOM 1467 CB LYS A 120 3.464 -1.362 8.767 1.00 0.58 C ATOM 1468 CG LYS A 120 4.834 -1.577 9.432 1.00 0.52 C ATOM 1469 CD LYS A 120 5.383 -2.983 9.139 1.00 0.79 C ATOM 1470 CE LYS A 120 6.887 -3.108 9.427 1.00 0.92 C ATOM 1471 NZ LYS A 120 7.231 -2.963 10.862 1.00 1.66 N ATOM 0 H LYS A 120 0.868 0.221 8.296 1.00 0.33 H new ATOM 0 HA LYS A 120 2.895 -0.008 10.348 1.00 0.35 H new ATOM 0 HB2 LYS A 120 2.852 -2.250 8.928 1.00 0.58 H new ATOM 0 HB3 LYS A 120 3.607 -1.264 7.691 1.00 0.58 H new ATOM 0 HG2 LYS A 120 5.538 -0.827 9.071 1.00 0.52 H new ATOM 0 HG3 LYS A 120 4.744 -1.437 10.509 1.00 0.52 H new ATOM 0 HD2 LYS A 120 4.841 -3.712 9.741 1.00 0.79 H new ATOM 0 HD3 LYS A 120 5.196 -3.230 8.094 1.00 0.79 H new ATOM 0 HE2 LYS A 120 7.236 -4.078 9.075 1.00 0.92 H new ATOM 0 HE3 LYS A 120 7.422 -2.350 8.855 1.00 0.92 H new ATOM 0 HZ1 LYS A 120 8.259 -3.058 10.984 1.00 1.66 H new ATOM 0 HZ2 LYS A 120 6.927 -2.027 11.199 1.00 1.66 H new ATOM 0 HZ3 LYS A 120 6.748 -3.702 11.411 1.00 1.66 H new ATOM 1485 N LEU A 121 4.401 1.594 8.879 1.00 0.35 N ATOM 1486 CA LEU A 121 5.082 2.694 8.189 1.00 0.35 C ATOM 1487 C LEU A 121 6.263 2.200 7.344 1.00 0.36 C ATOM 1488 O LEU A 121 6.962 1.280 7.776 1.00 0.38 O ATOM 1489 CB LEU A 121 5.549 3.758 9.197 1.00 0.37 C ATOM 1490 CG LEU A 121 4.372 4.498 9.853 1.00 0.37 C ATOM 1491 CD1 LEU A 121 4.060 4.005 11.262 1.00 0.42 C ATOM 1492 CD2 LEU A 121 4.626 6.001 9.923 1.00 0.42 C ATOM 0 H LEU A 121 4.980 1.157 9.596 1.00 0.35 H new ATOM 0 HA LEU A 121 4.360 3.145 7.508 1.00 0.35 H new ATOM 0 HB2 LEU A 121 6.152 3.282 9.970 1.00 0.37 H new ATOM 0 HB3 LEU A 121 6.191 4.478 8.690 1.00 0.37 H new ATOM 0 HG LEU A 121 3.515 4.286 9.213 1.00 0.37 H new ATOM 0 HD11 LEU A 121 3.220 4.569 11.667 1.00 0.42 H new ATOM 0 HD12 LEU A 121 3.804 2.946 11.229 1.00 0.42 H new ATOM 0 HD13 LEU A 121 4.933 4.147 11.899 1.00 0.42 H new ATOM 0 HD21 LEU A 121 3.774 6.493 10.392 1.00 0.42 H new ATOM 0 HD22 LEU A 121 5.524 6.191 10.511 1.00 0.42 H new ATOM 0 HD23 LEU A 121 4.762 6.394 8.916 1.00 0.42 H new ATOM 1504 N THR A 122 6.529 2.808 6.179 1.00 0.36 N ATOM 1505 CA THR A 122 7.732 2.474 5.387 1.00 0.37 C ATOM 1506 C THR A 122 8.994 3.034 6.034 1.00 0.46 C ATOM 1507 O THR A 122 9.019 4.189 6.451 1.00 0.56 O ATOM 1508 CB THR A 122 7.666 2.894 3.908 1.00 0.46 C ATOM 1509 OG1 THR A 122 7.253 4.228 3.730 1.00 0.55 O ATOM 1510 CG2 THR A 122 6.740 2.020 3.065 1.00 0.56 C ATOM 0 H THR A 122 5.937 3.527 5.763 1.00 0.36 H new ATOM 0 HA THR A 122 7.768 1.385 5.388 1.00 0.37 H new ATOM 0 HB THR A 122 8.695 2.771 3.569 1.00 0.46 H new ATOM 0 HG1 THR A 122 7.231 4.439 2.773 1.00 0.55 H new ATOM 0 HG21 THR A 122 6.743 2.375 2.034 1.00 0.56 H new ATOM 0 HG22 THR A 122 7.088 0.987 3.095 1.00 0.56 H new ATOM 0 HG23 THR A 122 5.727 2.073 3.464 1.00 0.56 H new ATOM 1518 N GLU A 123 10.051 2.225 6.135 1.00 0.49 N ATOM 1519 CA GLU A 123 11.257 2.607 6.900 1.00 0.61 C ATOM 1520 C GLU A 123 12.382 3.243 6.066 1.00 0.65 C ATOM 1521 O GLU A 123 12.895 4.307 6.421 1.00 0.77 O ATOM 1522 CB GLU A 123 11.778 1.432 7.741 1.00 0.68 C ATOM 1523 CG GLU A 123 11.933 0.107 6.987 1.00 0.75 C ATOM 1524 CD GLU A 123 12.777 -0.873 7.798 1.00 1.15 C ATOM 1525 OE1 GLU A 123 12.296 -1.361 8.849 1.00 2.23 O ATOM 1526 OE2 GLU A 123 13.946 -1.117 7.425 1.00 1.85 O ATOM 0 H GLU A 123 10.104 1.303 5.701 1.00 0.49 H new ATOM 0 HA GLU A 123 10.925 3.402 7.568 1.00 0.61 H new ATOM 0 HB2 GLU A 123 12.745 1.708 8.161 1.00 0.68 H new ATOM 0 HB3 GLU A 123 11.099 1.277 8.579 1.00 0.68 H new ATOM 0 HG2 GLU A 123 10.951 -0.324 6.792 1.00 0.75 H new ATOM 0 HG3 GLU A 123 12.401 0.285 6.019 1.00 0.75 H new ATOM 1533 N ALA A 124 12.783 2.558 4.996 1.00 0.61 N ATOM 1534 CA ALA A 124 13.885 2.874 4.075 1.00 0.74 C ATOM 1535 C ALA A 124 13.923 1.873 2.897 1.00 0.93 C ATOM 1536 O ALA A 124 14.314 2.215 1.782 1.00 1.44 O ATOM 1537 CB ALA A 124 15.213 2.769 4.844 1.00 0.70 C ATOM 0 H ALA A 124 12.310 1.696 4.725 1.00 0.61 H new ATOM 0 HA ALA A 124 13.735 3.879 3.681 1.00 0.74 H new ATOM 0 HB1 ALA A 124 16.041 3.001 4.174 1.00 0.70 H new ATOM 0 HB2 ALA A 124 15.210 3.475 5.674 1.00 0.70 H new ATOM 0 HB3 ALA A 124 15.331 1.756 5.230 1.00 0.70 H new ATOM 1543 N GLU A 125 13.521 0.625 3.163 1.00 0.88 N ATOM 1544 CA GLU A 125 13.436 -0.491 2.219 1.00 1.38 C ATOM 1545 C GLU A 125 11.980 -0.988 2.030 1.00 1.43 C ATOM 1546 O GLU A 125 11.755 -2.151 1.687 1.00 2.48 O ATOM 1547 CB GLU A 125 14.372 -1.605 2.715 1.00 1.71 C ATOM 1548 CG GLU A 125 15.867 -1.238 2.669 1.00 1.90 C ATOM 1549 CD GLU A 125 16.764 -2.439 3.004 1.00 3.27 C ATOM 1550 OE1 GLU A 125 16.501 -3.567 2.517 1.00 3.97 O ATOM 1551 OE2 GLU A 125 17.768 -2.285 3.742 1.00 4.45 O ATOM 0 H GLU A 125 13.229 0.352 4.101 1.00 0.88 H new ATOM 0 HA GLU A 125 13.754 -0.160 1.231 1.00 1.38 H new ATOM 0 HB2 GLU A 125 14.103 -1.861 3.740 1.00 1.71 H new ATOM 0 HB3 GLU A 125 14.209 -2.497 2.111 1.00 1.71 H new ATOM 0 HG2 GLU A 125 16.118 -0.863 1.677 1.00 1.90 H new ATOM 0 HG3 GLU A 125 16.064 -0.430 3.374 1.00 1.90 H new ATOM 1558 N GLY A 126 10.990 -0.123 2.284 1.00 0.54 N ATOM 1559 CA GLY A 126 9.556 -0.440 2.302 1.00 0.44 C ATOM 1560 C GLY A 126 9.007 -0.748 3.703 1.00 0.43 C ATOM 1561 O GLY A 126 9.578 -0.318 4.705 1.00 0.56 O ATOM 0 H GLY A 126 11.174 0.859 2.491 1.00 0.54 H new ATOM 0 HA2 GLY A 126 9.002 0.400 1.882 1.00 0.44 H new ATOM 0 HA3 GLY A 126 9.375 -1.298 1.654 1.00 0.44 H new ATOM 1565 N ALA A 127 7.873 -1.451 3.764 1.00 0.36 N ATOM 1566 CA ALA A 127 7.265 -2.050 4.965 1.00 0.36 C ATOM 1567 C ALA A 127 6.751 -3.476 4.696 1.00 0.36 C ATOM 1568 O ALA A 127 6.029 -3.676 3.717 1.00 0.34 O ATOM 1569 CB ALA A 127 6.113 -1.162 5.453 1.00 0.34 C ATOM 0 H ALA A 127 7.318 -1.631 2.928 1.00 0.36 H new ATOM 0 HA ALA A 127 8.034 -2.118 5.734 1.00 0.36 H new ATOM 0 HB1 ALA A 127 5.663 -1.605 6.341 1.00 0.34 H new ATOM 0 HB2 ALA A 127 6.496 -0.171 5.696 1.00 0.34 H new ATOM 0 HB3 ALA A 127 5.361 -1.078 4.669 1.00 0.34 H new ATOM 1575 N LYS A 128 7.068 -4.444 5.573 1.00 0.42 N ATOM 1576 CA LYS A 128 6.671 -5.863 5.453 1.00 0.41 C ATOM 1577 C LYS A 128 5.345 -6.189 6.151 1.00 0.38 C ATOM 1578 O LYS A 128 5.148 -5.879 7.327 1.00 0.47 O ATOM 1579 CB LYS A 128 7.791 -6.773 5.992 1.00 0.50 C ATOM 1580 CG LYS A 128 7.515 -8.268 5.731 1.00 0.80 C ATOM 1581 CD LYS A 128 8.541 -9.168 6.427 1.00 0.86 C ATOM 1582 CE LYS A 128 8.149 -10.640 6.240 1.00 1.01 C ATOM 1583 NZ LYS A 128 8.872 -11.508 7.196 1.00 1.26 N ATOM 0 H LYS A 128 7.623 -4.259 6.409 1.00 0.42 H new ATOM 0 HA LYS A 128 6.514 -6.051 4.391 1.00 0.41 H new ATOM 0 HB2 LYS A 128 8.736 -6.495 5.526 1.00 0.50 H new ATOM 0 HB3 LYS A 128 7.903 -6.609 7.064 1.00 0.50 H new ATOM 0 HG2 LYS A 128 6.514 -8.519 6.082 1.00 0.80 H new ATOM 0 HG3 LYS A 128 7.533 -8.459 4.658 1.00 0.80 H new ATOM 0 HD2 LYS A 128 9.534 -8.991 6.014 1.00 0.86 H new ATOM 0 HD3 LYS A 128 8.590 -8.927 7.489 1.00 0.86 H new ATOM 0 HE2 LYS A 128 7.074 -10.754 6.381 1.00 1.01 H new ATOM 0 HE3 LYS A 128 8.372 -10.952 5.220 1.00 1.01 H new ATOM 0 HZ1 LYS A 128 8.589 -12.498 7.049 1.00 1.26 H new ATOM 0 HZ2 LYS A 128 9.897 -11.414 7.044 1.00 1.26 H new ATOM 0 HZ3 LYS A 128 8.639 -11.223 8.169 1.00 1.26 H new ATOM 1597 N PHE A 129 4.497 -6.927 5.439 1.00 0.34 N ATOM 1598 CA PHE A 129 3.195 -7.453 5.838 1.00 0.32 C ATOM 1599 C PHE A 129 3.184 -8.968 5.565 1.00 0.32 C ATOM 1600 O PHE A 129 3.361 -9.387 4.421 1.00 0.34 O ATOM 1601 CB PHE A 129 2.164 -6.692 5.000 1.00 0.29 C ATOM 1602 CG PHE A 129 1.950 -5.259 5.440 1.00 0.28 C ATOM 1603 CD1 PHE A 129 2.834 -4.258 5.000 1.00 1.64 C ATOM 1604 CD2 PHE A 129 0.894 -4.918 6.303 1.00 1.62 C ATOM 1605 CE1 PHE A 129 2.645 -2.934 5.409 1.00 1.65 C ATOM 1606 CE2 PHE A 129 0.693 -3.586 6.698 1.00 1.62 C ATOM 1607 CZ PHE A 129 1.566 -2.588 6.240 1.00 0.32 C ATOM 0 H PHE A 129 4.725 -7.196 4.482 1.00 0.34 H new ATOM 0 HA PHE A 129 2.971 -7.319 6.896 1.00 0.32 H new ATOM 0 HB2 PHE A 129 2.483 -6.698 3.958 1.00 0.29 H new ATOM 0 HB3 PHE A 129 1.212 -7.221 5.045 1.00 0.29 H new ATOM 0 HD1 PHE A 129 3.657 -4.511 4.348 1.00 1.64 H new ATOM 0 HD2 PHE A 129 0.230 -5.689 6.666 1.00 1.62 H new ATOM 0 HE1 PHE A 129 3.335 -2.170 5.083 1.00 1.65 H new ATOM 0 HE2 PHE A 129 -0.129 -3.331 7.351 1.00 1.62 H new ATOM 0 HZ PHE A 129 1.409 -1.558 6.525 1.00 0.32 H new ATOM 1617 N ASN A 130 3.005 -9.808 6.589 1.00 0.43 N ATOM 1618 CA ASN A 130 2.942 -11.265 6.416 1.00 0.48 C ATOM 1619 C ASN A 130 1.511 -11.682 6.027 1.00 0.46 C ATOM 1620 O ASN A 130 0.555 -11.364 6.735 1.00 0.64 O ATOM 1621 CB ASN A 130 3.457 -11.960 7.684 1.00 0.75 C ATOM 1622 CG ASN A 130 3.543 -13.471 7.556 1.00 1.09 C ATOM 1623 OD1 ASN A 130 4.460 -14.014 6.956 1.00 1.91 O ATOM 1624 ND2 ASN A 130 2.618 -14.207 8.119 1.00 1.14 N ATOM 0 H ASN A 130 2.900 -9.501 7.556 1.00 0.43 H new ATOM 0 HA ASN A 130 3.592 -11.582 5.600 1.00 0.48 H new ATOM 0 HB2 ASN A 130 4.444 -11.568 7.928 1.00 0.75 H new ATOM 0 HB3 ASN A 130 2.800 -11.711 8.517 1.00 0.75 H new ATOM 0 HD21 ASN A 130 2.666 -15.224 8.055 1.00 1.14 H new ATOM 0 HD22 ASN A 130 1.849 -13.764 8.622 1.00 1.14 H new ATOM 1631 N THR A 131 1.364 -12.387 4.905 1.00 0.43 N ATOM 1632 CA THR A 131 0.080 -12.720 4.255 1.00 0.41 C ATOM 1633 C THR A 131 -0.299 -14.199 4.369 1.00 0.46 C ATOM 1634 O THR A 131 -1.328 -14.611 3.827 1.00 0.57 O ATOM 1635 CB THR A 131 0.089 -12.296 2.777 1.00 0.43 C ATOM 1636 OG1 THR A 131 1.182 -12.875 2.101 1.00 0.46 O ATOM 1637 CG2 THR A 131 0.199 -10.783 2.615 1.00 0.49 C ATOM 0 H THR A 131 2.165 -12.761 4.397 1.00 0.43 H new ATOM 0 HA THR A 131 -0.680 -12.157 4.796 1.00 0.41 H new ATOM 0 HB THR A 131 -0.856 -12.639 2.355 1.00 0.43 H new ATOM 0 HG1 THR A 131 1.171 -12.596 1.162 1.00 0.46 H new ATOM 0 HG21 THR A 131 0.202 -10.530 1.555 1.00 0.49 H new ATOM 0 HG22 THR A 131 -0.650 -10.302 3.101 1.00 0.49 H new ATOM 0 HG23 THR A 131 1.124 -10.434 3.074 1.00 0.49 H new ATOM 1645 N ALA A 132 0.474 -15.001 5.116 1.00 0.47 N ATOM 1646 CA ALA A 132 0.146 -16.399 5.422 1.00 0.52 C ATOM 1647 C ALA A 132 -1.230 -16.560 6.096 1.00 0.58 C ATOM 1648 O ALA A 132 -1.875 -17.599 5.971 1.00 0.80 O ATOM 1649 CB ALA A 132 1.216 -16.959 6.368 1.00 0.62 C ATOM 0 H ALA A 132 1.354 -14.692 5.529 1.00 0.47 H new ATOM 0 HA ALA A 132 0.115 -16.939 4.476 1.00 0.52 H new ATOM 0 HB1 ALA A 132 0.985 -17.998 6.604 1.00 0.62 H new ATOM 0 HB2 ALA A 132 2.192 -16.905 5.886 1.00 0.62 H new ATOM 0 HB3 ALA A 132 1.232 -16.373 7.287 1.00 0.62 H new ATOM 1655 N ASN A 133 -1.681 -15.527 6.811 1.00 0.56 N ATOM 1656 CA ASN A 133 -2.894 -15.538 7.619 1.00 0.69 C ATOM 1657 C ASN A 133 -4.147 -15.107 6.833 1.00 0.65 C ATOM 1658 O ASN A 133 -5.257 -15.331 7.321 1.00 0.79 O ATOM 1659 CB ASN A 133 -2.647 -14.652 8.847 1.00 0.89 C ATOM 1660 CG ASN A 133 -1.408 -15.029 9.625 1.00 0.87 C ATOM 1661 OD1 ASN A 133 -0.337 -14.480 9.409 1.00 1.72 O ATOM 1662 ND2 ASN A 133 -1.499 -15.972 10.524 1.00 1.64 N ATOM 0 H ASN A 133 -1.193 -14.632 6.842 1.00 0.56 H new ATOM 0 HA ASN A 133 -3.107 -16.560 7.931 1.00 0.69 H new ATOM 0 HB2 ASN A 133 -2.562 -13.614 8.525 1.00 0.89 H new ATOM 0 HB3 ASN A 133 -3.512 -14.711 9.507 1.00 0.89 H new ATOM 0 HD21 ASN A 133 -0.673 -16.255 11.052 1.00 1.64 H new ATOM 0 HD22 ASN A 133 -2.396 -16.425 10.699 1.00 1.64 H new ATOM 1669 N LEU A 134 -4.009 -14.518 5.634 1.00 0.53 N ATOM 1670 CA LEU A 134 -5.142 -14.158 4.789 1.00 0.53 C ATOM 1671 C LEU A 134 -5.672 -15.316 3.925 1.00 0.59 C ATOM 1672 O LEU A 134 -4.877 -16.093 3.393 1.00 0.64 O ATOM 1673 CB LEU A 134 -4.759 -13.019 3.823 1.00 0.49 C ATOM 1674 CG LEU A 134 -4.744 -11.584 4.362 1.00 0.50 C ATOM 1675 CD1 LEU A 134 -5.853 -11.302 5.374 1.00 0.60 C ATOM 1676 CD2 LEU A 134 -3.391 -11.189 4.922 1.00 0.45 C ATOM 0 H LEU A 134 -3.103 -14.281 5.229 1.00 0.53 H new ATOM 0 HA LEU A 134 -5.923 -13.859 5.488 1.00 0.53 H new ATOM 0 HB2 LEU A 134 -3.766 -13.237 3.429 1.00 0.49 H new ATOM 0 HB3 LEU A 134 -5.450 -13.051 2.981 1.00 0.49 H new ATOM 0 HG LEU A 134 -4.944 -10.957 3.493 1.00 0.50 H new ATOM 0 HD11 LEU A 134 -5.782 -10.269 5.713 1.00 0.60 H new ATOM 0 HD12 LEU A 134 -6.823 -11.464 4.905 1.00 0.60 H new ATOM 0 HD13 LEU A 134 -5.746 -11.972 6.227 1.00 0.60 H new ATOM 0 HD21 LEU A 134 -3.435 -10.164 5.290 1.00 0.45 H new ATOM 0 HD22 LEU A 134 -3.127 -11.858 5.741 1.00 0.45 H new ATOM 0 HD23 LEU A 134 -2.638 -11.261 4.138 1.00 0.45 H new ATOM 1688 N PRO A 135 -6.995 -15.378 3.689 1.00 0.63 N ATOM 1689 CA PRO A 135 -7.564 -16.232 2.657 1.00 0.72 C ATOM 1690 C PRO A 135 -7.418 -15.588 1.267 1.00 0.70 C ATOM 1691 O PRO A 135 -7.140 -14.391 1.117 1.00 0.63 O ATOM 1692 CB PRO A 135 -9.029 -16.425 3.035 1.00 0.77 C ATOM 1693 CG PRO A 135 -9.372 -15.118 3.761 1.00 0.70 C ATOM 1694 CD PRO A 135 -8.051 -14.675 4.405 1.00 0.63 C ATOM 0 HA PRO A 135 -7.047 -17.190 2.599 1.00 0.72 H new ATOM 0 HB2 PRO A 135 -9.656 -16.575 2.156 1.00 0.77 H new ATOM 0 HB3 PRO A 135 -9.169 -17.293 3.679 1.00 0.77 H new ATOM 0 HG2 PRO A 135 -9.747 -14.366 3.067 1.00 0.70 H new ATOM 0 HG3 PRO A 135 -10.147 -15.273 4.512 1.00 0.70 H new ATOM 0 HD2 PRO A 135 -7.922 -13.595 4.327 1.00 0.63 H new ATOM 0 HD3 PRO A 135 -8.033 -14.922 5.466 1.00 0.63 H new ATOM 1702 N ALA A 136 -7.656 -16.393 0.238 1.00 0.80 N ATOM 1703 CA ALA A 136 -7.486 -16.070 -1.168 1.00 0.83 C ATOM 1704 C ALA A 136 -8.627 -15.179 -1.686 1.00 0.88 C ATOM 1705 O ALA A 136 -9.597 -15.661 -2.278 1.00 1.11 O ATOM 1706 CB ALA A 136 -7.424 -17.413 -1.893 1.00 0.93 C ATOM 0 H ALA A 136 -7.993 -17.346 0.375 1.00 0.80 H new ATOM 0 HA ALA A 136 -6.579 -15.491 -1.341 1.00 0.83 H new ATOM 0 HB1 ALA A 136 -7.296 -17.244 -2.962 1.00 0.93 H new ATOM 0 HB2 ALA A 136 -6.582 -17.993 -1.514 1.00 0.93 H new ATOM 0 HB3 ALA A 136 -8.350 -17.962 -1.721 1.00 0.93 H new ATOM 1712 N ALA A 137 -8.516 -13.873 -1.460 1.00 0.75 N ATOM 1713 CA ALA A 137 -9.500 -12.870 -1.871 1.00 0.76 C ATOM 1714 C ALA A 137 -8.819 -11.598 -2.427 1.00 0.70 C ATOM 1715 O ALA A 137 -7.586 -11.536 -2.511 1.00 0.67 O ATOM 1716 CB ALA A 137 -10.382 -12.576 -0.647 1.00 0.79 C ATOM 0 H ALA A 137 -7.717 -13.469 -0.972 1.00 0.75 H new ATOM 0 HA ALA A 137 -10.115 -13.245 -2.689 1.00 0.76 H new ATOM 0 HB1 ALA A 137 -11.132 -11.830 -0.910 1.00 0.79 H new ATOM 0 HB2 ALA A 137 -10.878 -13.493 -0.327 1.00 0.79 H new ATOM 0 HB3 ALA A 137 -9.762 -12.196 0.165 1.00 0.79 H new ATOM 1722 N LYS A 138 -9.606 -10.574 -2.789 1.00 0.71 N ATOM 1723 CA LYS A 138 -9.087 -9.224 -3.076 1.00 0.64 C ATOM 1724 C LYS A 138 -9.133 -8.337 -1.830 1.00 0.54 C ATOM 1725 O LYS A 138 -9.971 -8.511 -0.940 1.00 0.55 O ATOM 1726 CB LYS A 138 -9.787 -8.571 -4.279 1.00 0.81 C ATOM 1727 CG LYS A 138 -9.175 -9.058 -5.604 1.00 1.04 C ATOM 1728 CD LYS A 138 -9.760 -8.359 -6.839 1.00 1.57 C ATOM 1729 CE LYS A 138 -9.532 -6.842 -6.811 1.00 3.13 C ATOM 1730 NZ LYS A 138 -9.680 -6.222 -8.148 1.00 3.96 N ATOM 0 H LYS A 138 -10.618 -10.656 -2.891 1.00 0.71 H new ATOM 0 HA LYS A 138 -8.040 -9.335 -3.359 1.00 0.64 H new ATOM 0 HB2 LYS A 138 -10.851 -8.807 -4.257 1.00 0.81 H new ATOM 0 HB3 LYS A 138 -9.699 -7.487 -4.211 1.00 0.81 H new ATOM 0 HG2 LYS A 138 -8.098 -8.895 -5.580 1.00 1.04 H new ATOM 0 HG3 LYS A 138 -9.333 -10.133 -5.695 1.00 1.04 H new ATOM 0 HD2 LYS A 138 -9.307 -8.776 -7.739 1.00 1.57 H new ATOM 0 HD3 LYS A 138 -10.829 -8.563 -6.897 1.00 1.57 H new ATOM 0 HE2 LYS A 138 -10.241 -6.384 -6.121 1.00 3.13 H new ATOM 0 HE3 LYS A 138 -8.533 -6.635 -6.426 1.00 3.13 H new ATOM 0 HZ1 LYS A 138 -9.872 -5.206 -8.040 1.00 3.96 H new ATOM 0 HZ2 LYS A 138 -8.802 -6.353 -8.690 1.00 3.96 H new ATOM 0 HZ3 LYS A 138 -10.470 -6.672 -8.654 1.00 3.96 H new ATOM 1744 N TYR A 139 -8.212 -7.384 -1.782 1.00 0.48 N ATOM 1745 CA TYR A 139 -7.939 -6.478 -0.666 1.00 0.41 C ATOM 1746 C TYR A 139 -7.598 -5.082 -1.206 1.00 0.40 C ATOM 1747 O TYR A 139 -7.370 -4.907 -2.405 1.00 0.46 O ATOM 1748 CB TYR A 139 -6.772 -7.031 0.174 1.00 0.38 C ATOM 1749 CG TYR A 139 -7.037 -8.382 0.806 1.00 0.40 C ATOM 1750 CD1 TYR A 139 -6.887 -9.551 0.036 1.00 0.49 C ATOM 1751 CD2 TYR A 139 -7.459 -8.474 2.147 1.00 0.42 C ATOM 1752 CE1 TYR A 139 -7.219 -10.799 0.585 1.00 0.56 C ATOM 1753 CE2 TYR A 139 -7.740 -9.738 2.705 1.00 0.45 C ATOM 1754 CZ TYR A 139 -7.625 -10.896 1.922 1.00 0.47 C ATOM 1755 OH TYR A 139 -7.908 -12.102 2.463 1.00 0.50 O ATOM 0 H TYR A 139 -7.592 -7.209 -2.573 1.00 0.48 H new ATOM 0 HA TYR A 139 -8.822 -6.401 -0.032 1.00 0.41 H new ATOM 0 HB2 TYR A 139 -5.889 -7.108 -0.460 1.00 0.38 H new ATOM 0 HB3 TYR A 139 -6.537 -6.315 0.962 1.00 0.38 H new ATOM 0 HD1 TYR A 139 -6.517 -9.487 -0.977 1.00 0.49 H new ATOM 0 HD2 TYR A 139 -7.567 -7.581 2.745 1.00 0.42 H new ATOM 0 HE1 TYR A 139 -7.161 -11.688 -0.026 1.00 0.56 H new ATOM 0 HE2 TYR A 139 -8.045 -9.815 3.738 1.00 0.45 H new ATOM 0 HH TYR A 139 -7.573 -12.811 1.875 1.00 0.50 H new ATOM 1765 N LYS A 140 -7.541 -4.084 -0.321 1.00 0.37 N ATOM 1766 CA LYS A 140 -7.124 -2.712 -0.649 1.00 0.37 C ATOM 1767 C LYS A 140 -6.240 -2.108 0.438 1.00 0.34 C ATOM 1768 O LYS A 140 -6.479 -2.342 1.623 1.00 0.50 O ATOM 1769 CB LYS A 140 -8.342 -1.807 -0.909 1.00 0.40 C ATOM 1770 CG LYS A 140 -9.110 -2.164 -2.180 1.00 0.45 C ATOM 1771 CD LYS A 140 -10.231 -1.158 -2.457 1.00 0.56 C ATOM 1772 CE LYS A 140 -11.042 -1.755 -3.606 1.00 0.72 C ATOM 1773 NZ LYS A 140 -12.071 -0.837 -4.143 1.00 1.75 N ATOM 0 H LYS A 140 -7.787 -4.205 0.661 1.00 0.37 H new ATOM 0 HA LYS A 140 -6.533 -2.773 -1.563 1.00 0.37 H new ATOM 0 HB2 LYS A 140 -9.018 -1.869 -0.057 1.00 0.40 H new ATOM 0 HB3 LYS A 140 -8.007 -0.772 -0.976 1.00 0.40 H new ATOM 0 HG2 LYS A 140 -8.424 -2.189 -3.027 1.00 0.45 H new ATOM 0 HG3 LYS A 140 -9.532 -3.164 -2.083 1.00 0.45 H new ATOM 0 HD2 LYS A 140 -10.852 -1.010 -1.574 1.00 0.56 H new ATOM 0 HD3 LYS A 140 -9.825 -0.183 -2.728 1.00 0.56 H new ATOM 0 HE2 LYS A 140 -10.363 -2.037 -4.411 1.00 0.72 H new ATOM 0 HE3 LYS A 140 -11.526 -2.669 -3.262 1.00 0.72 H new ATOM 0 HZ1 LYS A 140 -12.583 -1.305 -4.918 1.00 1.75 H new ATOM 0 HZ2 LYS A 140 -12.740 -0.586 -3.388 1.00 1.75 H new ATOM 0 HZ3 LYS A 140 -11.614 0.026 -4.501 1.00 1.75 H new ATOM 1787 N ILE A 141 -5.270 -1.284 0.050 1.00 0.28 N ATOM 1788 CA ILE A 141 -4.454 -0.479 0.970 1.00 0.28 C ATOM 1789 C ILE A 141 -4.938 0.973 0.948 1.00 0.28 C ATOM 1790 O ILE A 141 -5.219 1.532 -0.115 1.00 0.32 O ATOM 1791 CB ILE A 141 -2.939 -0.598 0.681 1.00 0.32 C ATOM 1792 CG1 ILE A 141 -2.422 -2.050 0.784 1.00 0.33 C ATOM 1793 CG2 ILE A 141 -2.120 0.240 1.675 1.00 0.33 C ATOM 1794 CD1 ILE A 141 -2.502 -2.787 -0.550 1.00 0.37 C ATOM 0 H ILE A 141 -5.020 -1.151 -0.930 1.00 0.28 H new ATOM 0 HA ILE A 141 -4.586 -0.874 1.978 1.00 0.28 H new ATOM 0 HB ILE A 141 -2.812 -0.238 -0.340 1.00 0.32 H new ATOM 0 HG12 ILE A 141 -1.389 -2.042 1.131 1.00 0.33 H new ATOM 0 HG13 ILE A 141 -3.005 -2.589 1.531 1.00 0.33 H new ATOM 0 HG21 ILE A 141 -1.059 0.138 1.449 1.00 0.33 H new ATOM 0 HG22 ILE A 141 -2.410 1.288 1.593 1.00 0.33 H new ATOM 0 HG23 ILE A 141 -2.310 -0.110 2.689 1.00 0.33 H new ATOM 0 HD11 ILE A 141 -2.128 -3.803 -0.427 1.00 0.37 H new ATOM 0 HD12 ILE A 141 -3.538 -2.820 -0.886 1.00 0.37 H new ATOM 0 HD13 ILE A 141 -1.897 -2.265 -1.291 1.00 0.37 H new ATOM 1806 N TYR A 142 -5.004 1.573 2.135 1.00 0.28 N ATOM 1807 CA TYR A 142 -5.376 2.965 2.371 1.00 0.29 C ATOM 1808 C TYR A 142 -4.245 3.700 3.097 1.00 0.29 C ATOM 1809 O TYR A 142 -3.692 3.184 4.063 1.00 0.31 O ATOM 1810 CB TYR A 142 -6.683 2.996 3.168 1.00 0.30 C ATOM 1811 CG TYR A 142 -7.911 2.797 2.307 1.00 0.31 C ATOM 1812 CD1 TYR A 142 -8.293 1.518 1.851 1.00 1.72 C ATOM 1813 CD2 TYR A 142 -8.661 3.925 1.939 1.00 1.82 C ATOM 1814 CE1 TYR A 142 -9.439 1.367 1.049 1.00 1.70 C ATOM 1815 CE2 TYR A 142 -9.809 3.778 1.150 1.00 1.86 C ATOM 1816 CZ TYR A 142 -10.206 2.500 0.717 1.00 0.37 C ATOM 1817 OH TYR A 142 -11.333 2.366 -0.018 1.00 0.46 O ATOM 0 H TYR A 142 -4.789 1.077 3.000 1.00 0.28 H new ATOM 0 HA TYR A 142 -5.535 3.481 1.424 1.00 0.29 H new ATOM 0 HB2 TYR A 142 -6.653 2.219 3.932 1.00 0.30 H new ATOM 0 HB3 TYR A 142 -6.762 3.951 3.687 1.00 0.30 H new ATOM 0 HD1 TYR A 142 -7.704 0.653 2.118 1.00 1.72 H new ATOM 0 HD2 TYR A 142 -8.353 4.907 2.265 1.00 1.82 H new ATOM 0 HE1 TYR A 142 -9.728 0.390 0.691 1.00 1.70 H new ATOM 0 HE2 TYR A 142 -10.389 4.646 0.874 1.00 1.86 H new ATOM 0 HH TYR A 142 -11.969 3.070 0.227 1.00 0.46 H new ATOM 1827 N GLU A 143 -3.894 4.901 2.639 1.00 0.36 N ATOM 1828 CA GLU A 143 -2.772 5.697 3.163 1.00 0.39 C ATOM 1829 C GLU A 143 -3.291 6.774 4.127 1.00 0.44 C ATOM 1830 O GLU A 143 -4.162 7.561 3.752 1.00 0.67 O ATOM 1831 CB GLU A 143 -2.006 6.292 1.973 1.00 0.47 C ATOM 1832 CG GLU A 143 -0.642 6.862 2.366 1.00 0.60 C ATOM 1833 CD GLU A 143 0.045 7.474 1.143 1.00 0.78 C ATOM 1834 OE1 GLU A 143 0.461 6.731 0.233 1.00 1.90 O ATOM 1835 OE2 GLU A 143 0.162 8.722 1.060 1.00 1.51 O ATOM 0 H GLU A 143 -4.390 5.363 1.876 1.00 0.36 H new ATOM 0 HA GLU A 143 -2.087 5.072 3.737 1.00 0.39 H new ATOM 0 HB2 GLU A 143 -1.867 5.521 1.215 1.00 0.47 H new ATOM 0 HB3 GLU A 143 -2.606 7.081 1.519 1.00 0.47 H new ATOM 0 HG2 GLU A 143 -0.765 7.619 3.140 1.00 0.60 H new ATOM 0 HG3 GLU A 143 -0.018 6.074 2.787 1.00 0.60 H new ATOM 1842 N ILE A 144 -2.787 6.816 5.366 1.00 0.62 N ATOM 1843 CA ILE A 144 -3.340 7.640 6.453 1.00 0.63 C ATOM 1844 C ILE A 144 -2.212 8.415 7.163 1.00 0.65 C ATOM 1845 O ILE A 144 -1.457 7.839 7.940 1.00 0.67 O ATOM 1846 CB ILE A 144 -4.108 6.731 7.456 1.00 0.60 C ATOM 1847 CG1 ILE A 144 -5.089 5.698 6.841 1.00 0.58 C ATOM 1848 CG2 ILE A 144 -4.840 7.588 8.504 1.00 0.64 C ATOM 1849 CD1 ILE A 144 -6.342 6.245 6.142 1.00 0.53 C ATOM 0 H ILE A 144 -1.972 6.272 5.648 1.00 0.62 H new ATOM 0 HA ILE A 144 -4.037 8.368 6.037 1.00 0.63 H new ATOM 0 HB ILE A 144 -3.326 6.126 7.914 1.00 0.60 H new ATOM 0 HG12 ILE A 144 -4.536 5.096 6.120 1.00 0.58 H new ATOM 0 HG13 ILE A 144 -5.413 5.026 7.636 1.00 0.58 H new ATOM 0 HG21 ILE A 144 -5.372 6.938 9.198 1.00 0.64 H new ATOM 0 HG22 ILE A 144 -4.115 8.189 9.053 1.00 0.64 H new ATOM 0 HG23 ILE A 144 -5.552 8.245 8.004 1.00 0.64 H new ATOM 0 HD11 ILE A 144 -6.937 5.415 5.760 1.00 0.53 H new ATOM 0 HD12 ILE A 144 -6.935 6.819 6.854 1.00 0.53 H new ATOM 0 HD13 ILE A 144 -6.045 6.890 5.315 1.00 0.53 H new ATOM 1861 N HIS A 145 -2.147 9.743 7.015 1.00 0.80 N ATOM 1862 CA HIS A 145 -1.143 10.577 7.714 1.00 0.92 C ATOM 1863 C HIS A 145 -1.412 10.757 9.226 1.00 0.91 C ATOM 1864 O HIS A 145 -0.564 11.267 9.963 1.00 1.28 O ATOM 1865 CB HIS A 145 -1.040 11.948 7.028 1.00 1.32 C ATOM 1866 CG HIS A 145 -0.405 11.914 5.661 1.00 1.44 C ATOM 1867 ND1 HIS A 145 0.932 11.737 5.375 1.00 2.78 N ATOM 1868 CD2 HIS A 145 -1.038 12.141 4.471 1.00 2.39 C ATOM 1869 CE1 HIS A 145 1.096 11.840 4.044 1.00 3.50 C ATOM 1870 NE2 HIS A 145 -0.080 12.103 3.452 1.00 3.22 N ATOM 0 H HIS A 145 -2.779 10.273 6.415 1.00 0.80 H new ATOM 0 HA HIS A 145 -0.197 10.040 7.643 1.00 0.92 H new ATOM 0 HB2 HIS A 145 -2.040 12.373 6.940 1.00 1.32 H new ATOM 0 HB3 HIS A 145 -0.464 12.618 7.666 1.00 1.32 H new ATOM 0 HD2 HIS A 145 -2.095 12.319 4.340 1.00 2.39 H new ATOM 0 HE1 HIS A 145 2.037 11.727 3.526 1.00 3.50 H new ATOM 0 HE2 HIS A 145 -0.243 12.247 2.455 1.00 3.22 H new ATOM 1878 N SER A 146 -2.597 10.361 9.700 1.00 0.77 N ATOM 1879 CA SER A 146 -3.108 10.644 11.050 1.00 0.92 C ATOM 1880 C SER A 146 -2.474 9.822 12.189 1.00 1.21 C ATOM 1881 O SER A 146 -2.742 10.128 13.351 1.00 1.76 O ATOM 1882 CB SER A 146 -4.625 10.413 11.076 1.00 1.05 C ATOM 1883 OG SER A 146 -5.293 10.912 9.925 1.00 1.95 O ATOM 0 H SER A 146 -3.251 9.816 9.138 1.00 0.77 H new ATOM 0 HA SER A 146 -2.836 11.682 11.242 1.00 0.92 H new ATOM 0 HB2 SER A 146 -4.821 9.344 11.165 1.00 1.05 H new ATOM 0 HB3 SER A 146 -5.042 10.889 11.964 1.00 1.05 H new ATOM 0 HG SER A 146 -6.254 10.733 10.001 1.00 1.95 H new ATOM 2086 N LYS A 162 -2.533 13.616 -2.450 1.00 1.19 N ATOM 2087 CA LYS A 162 -3.709 12.728 -2.451 1.00 1.32 C ATOM 2088 C LYS A 162 -3.380 11.375 -3.093 1.00 1.12 C ATOM 2089 O LYS A 162 -3.392 11.222 -4.321 1.00 1.27 O ATOM 2090 CB LYS A 162 -4.894 13.449 -3.134 1.00 1.74 C ATOM 2091 CG LYS A 162 -6.291 13.060 -2.616 1.00 1.62 C ATOM 2092 CD LYS A 162 -6.832 11.722 -3.143 1.00 1.61 C ATOM 2093 CE LYS A 162 -7.111 11.696 -4.650 1.00 1.70 C ATOM 2094 NZ LYS A 162 -8.246 12.572 -5.029 1.00 2.41 N ATOM 0 HA LYS A 162 -4.003 12.505 -1.425 1.00 1.32 H new ATOM 0 HB2 LYS A 162 -4.765 14.524 -3.008 1.00 1.74 H new ATOM 0 HB3 LYS A 162 -4.853 13.246 -4.204 1.00 1.74 H new ATOM 0 HG2 LYS A 162 -6.259 13.018 -1.527 1.00 1.62 H new ATOM 0 HG3 LYS A 162 -6.994 13.849 -2.884 1.00 1.62 H new ATOM 0 HD2 LYS A 162 -6.115 10.936 -2.906 1.00 1.61 H new ATOM 0 HD3 LYS A 162 -7.753 11.483 -2.612 1.00 1.61 H new ATOM 0 HE2 LYS A 162 -6.217 12.011 -5.188 1.00 1.70 H new ATOM 0 HE3 LYS A 162 -7.326 10.673 -4.960 1.00 1.70 H new ATOM 0 HZ1 LYS A 162 -8.396 12.521 -6.057 1.00 2.41 H new ATOM 0 HZ2 LYS A 162 -9.107 12.257 -4.537 1.00 2.41 H new ATOM 0 HZ3 LYS A 162 -8.032 13.553 -4.759 1.00 2.41 H new ATOM 2108 N ALA A 163 -3.098 10.387 -2.249 1.00 0.90 N ATOM 2109 CA ALA A 163 -2.930 8.995 -2.647 1.00 0.72 C ATOM 2110 C ALA A 163 -4.289 8.352 -2.956 1.00 0.67 C ATOM 2111 O ALA A 163 -5.272 8.577 -2.241 1.00 0.78 O ATOM 2112 CB ALA A 163 -2.171 8.245 -1.549 1.00 0.79 C ATOM 0 H ALA A 163 -2.977 10.536 -1.247 1.00 0.90 H new ATOM 0 HA ALA A 163 -2.343 8.941 -3.564 1.00 0.72 H new ATOM 0 HB1 ALA A 163 -2.043 7.203 -1.842 1.00 0.79 H new ATOM 0 HB2 ALA A 163 -1.193 8.704 -1.404 1.00 0.79 H new ATOM 0 HB3 ALA A 163 -2.736 8.293 -0.618 1.00 0.79 H new ATOM 2118 N VAL A 164 -4.342 7.545 -4.015 1.00 0.62 N ATOM 2119 CA VAL A 164 -5.538 6.778 -4.404 1.00 0.59 C ATOM 2120 C VAL A 164 -5.415 5.321 -3.930 1.00 0.50 C ATOM 2121 O VAL A 164 -4.295 4.800 -3.888 1.00 0.52 O ATOM 2122 CB VAL A 164 -5.850 6.875 -5.907 1.00 0.66 C ATOM 2123 CG1 VAL A 164 -6.481 8.232 -6.208 1.00 0.82 C ATOM 2124 CG2 VAL A 164 -4.620 6.673 -6.793 1.00 0.88 C ATOM 0 H VAL A 164 -3.548 7.400 -4.639 1.00 0.62 H new ATOM 0 HA VAL A 164 -6.393 7.230 -3.902 1.00 0.59 H new ATOM 0 HB VAL A 164 -6.542 6.066 -6.141 1.00 0.66 H new ATOM 0 HG11 VAL A 164 -6.703 8.302 -7.273 1.00 0.82 H new ATOM 0 HG12 VAL A 164 -7.404 8.339 -5.638 1.00 0.82 H new ATOM 0 HG13 VAL A 164 -5.788 9.026 -5.929 1.00 0.82 H new ATOM 0 HG21 VAL A 164 -4.909 6.754 -7.841 1.00 0.88 H new ATOM 0 HG22 VAL A 164 -3.876 7.435 -6.562 1.00 0.88 H new ATOM 0 HG23 VAL A 164 -4.197 5.686 -6.608 1.00 0.88 H new ATOM 2134 N PRO A 165 -6.522 4.657 -3.543 1.00 0.48 N ATOM 2135 CA PRO A 165 -6.467 3.357 -2.879 1.00 0.44 C ATOM 2136 C PRO A 165 -6.049 2.241 -3.840 1.00 0.43 C ATOM 2137 O PRO A 165 -6.562 2.114 -4.957 1.00 0.70 O ATOM 2138 CB PRO A 165 -7.847 3.134 -2.259 1.00 0.47 C ATOM 2139 CG PRO A 165 -8.770 3.970 -3.145 1.00 0.49 C ATOM 2140 CD PRO A 165 -7.896 5.129 -3.622 1.00 0.50 C ATOM 0 HA PRO A 165 -5.702 3.340 -2.103 1.00 0.44 H new ATOM 0 HB2 PRO A 165 -8.127 2.080 -2.268 1.00 0.47 H new ATOM 0 HB3 PRO A 165 -7.879 3.463 -1.220 1.00 0.47 H new ATOM 0 HG2 PRO A 165 -9.149 3.387 -3.984 1.00 0.49 H new ATOM 0 HG3 PRO A 165 -9.636 4.329 -2.589 1.00 0.49 H new ATOM 0 HD2 PRO A 165 -8.152 5.416 -4.642 1.00 0.50 H new ATOM 0 HD3 PRO A 165 -8.042 6.010 -2.997 1.00 0.50 H new ATOM 2148 N ILE A 166 -5.106 1.423 -3.379 1.00 0.39 N ATOM 2149 CA ILE A 166 -4.431 0.399 -4.179 1.00 0.45 C ATOM 2150 C ILE A 166 -5.137 -0.932 -3.952 1.00 0.49 C ATOM 2151 O ILE A 166 -5.125 -1.438 -2.832 1.00 0.70 O ATOM 2152 CB ILE A 166 -2.921 0.293 -3.836 1.00 0.57 C ATOM 2153 CG1 ILE A 166 -2.214 1.650 -3.606 1.00 0.68 C ATOM 2154 CG2 ILE A 166 -2.222 -0.465 -4.977 1.00 0.63 C ATOM 2155 CD1 ILE A 166 -2.263 2.100 -2.136 1.00 1.36 C ATOM 0 H ILE A 166 -4.780 1.453 -2.413 1.00 0.39 H new ATOM 0 HA ILE A 166 -4.487 0.678 -5.231 1.00 0.45 H new ATOM 0 HB ILE A 166 -2.849 -0.235 -2.885 1.00 0.57 H new ATOM 0 HG12 ILE A 166 -1.174 1.572 -3.924 1.00 0.68 H new ATOM 0 HG13 ILE A 166 -2.683 2.410 -4.231 1.00 0.68 H new ATOM 0 HG21 ILE A 166 -1.158 -0.552 -4.758 1.00 0.63 H new ATOM 0 HG22 ILE A 166 -2.656 -1.461 -5.072 1.00 0.63 H new ATOM 0 HG23 ILE A 166 -2.357 0.080 -5.912 1.00 0.63 H new ATOM 0 HD11 ILE A 166 -1.752 3.057 -2.031 1.00 1.36 H new ATOM 0 HD12 ILE A 166 -3.302 2.206 -1.822 1.00 1.36 H new ATOM 0 HD13 ILE A 166 -1.770 1.356 -1.511 1.00 1.36 H new ATOM 2167 N GLU A 167 -5.752 -1.500 -4.990 1.00 0.45 N ATOM 2168 CA GLU A 167 -6.321 -2.852 -4.923 1.00 0.49 C ATOM 2169 C GLU A 167 -5.265 -3.924 -5.211 1.00 0.52 C ATOM 2170 O GLU A 167 -4.381 -3.730 -6.050 1.00 0.66 O ATOM 2171 CB GLU A 167 -7.572 -2.984 -5.800 1.00 0.58 C ATOM 2172 CG GLU A 167 -7.306 -2.908 -7.309 1.00 1.66 C ATOM 2173 CD GLU A 167 -8.612 -2.799 -8.100 1.00 1.94 C ATOM 2174 OE1 GLU A 167 -9.610 -3.473 -7.747 1.00 2.35 O ATOM 2175 OE2 GLU A 167 -8.661 -2.023 -9.086 1.00 3.09 O ATOM 0 H GLU A 167 -5.871 -1.043 -5.894 1.00 0.45 H new ATOM 0 HA GLU A 167 -6.653 -3.024 -3.899 1.00 0.49 H new ATOM 0 HB2 GLU A 167 -8.057 -3.935 -5.577 1.00 0.58 H new ATOM 0 HB3 GLU A 167 -8.275 -2.196 -5.528 1.00 0.58 H new ATOM 0 HG2 GLU A 167 -6.674 -2.047 -7.526 1.00 1.66 H new ATOM 0 HG3 GLU A 167 -6.758 -3.794 -7.629 1.00 1.66 H new ATOM 2182 N ILE A 168 -5.352 -5.045 -4.492 1.00 0.46 N ATOM 2183 CA ILE A 168 -4.373 -6.130 -4.512 1.00 0.48 C ATOM 2184 C ILE A 168 -5.065 -7.488 -4.315 1.00 0.48 C ATOM 2185 O ILE A 168 -6.083 -7.598 -3.632 1.00 0.48 O ATOM 2186 CB ILE A 168 -3.276 -5.843 -3.453 1.00 0.44 C ATOM 2187 CG1 ILE A 168 -2.049 -6.753 -3.657 1.00 0.49 C ATOM 2188 CG2 ILE A 168 -3.809 -5.953 -2.012 1.00 0.39 C ATOM 2189 CD1 ILE A 168 -0.830 -6.355 -2.813 1.00 0.47 C ATOM 0 H ILE A 168 -6.132 -5.227 -3.860 1.00 0.46 H new ATOM 0 HA ILE A 168 -3.885 -6.182 -5.485 1.00 0.48 H new ATOM 0 HB ILE A 168 -2.962 -4.809 -3.600 1.00 0.44 H new ATOM 0 HG12 ILE A 168 -2.326 -7.779 -3.415 1.00 0.49 H new ATOM 0 HG13 ILE A 168 -1.769 -6.738 -4.710 1.00 0.49 H new ATOM 0 HG21 ILE A 168 -3.003 -5.743 -1.309 1.00 0.39 H new ATOM 0 HG22 ILE A 168 -4.614 -5.233 -1.866 1.00 0.39 H new ATOM 0 HG23 ILE A 168 -4.187 -6.961 -1.840 1.00 0.39 H new ATOM 0 HD11 ILE A 168 -0.009 -7.043 -3.013 1.00 0.47 H new ATOM 0 HD12 ILE A 168 -0.525 -5.341 -3.071 1.00 0.47 H new ATOM 0 HD13 ILE A 168 -1.090 -6.398 -1.755 1.00 0.47 H new ATOM 2201 N GLU A 169 -4.494 -8.542 -4.889 1.00 0.54 N ATOM 2202 CA GLU A 169 -4.911 -9.938 -4.707 1.00 0.55 C ATOM 2203 C GLU A 169 -3.734 -10.769 -4.163 1.00 0.53 C ATOM 2204 O GLU A 169 -2.569 -10.388 -4.340 1.00 0.62 O ATOM 2205 CB GLU A 169 -5.430 -10.460 -6.057 1.00 0.67 C ATOM 2206 CG GLU A 169 -6.278 -11.729 -5.944 1.00 0.80 C ATOM 2207 CD GLU A 169 -6.665 -12.215 -7.342 1.00 1.08 C ATOM 2208 OE1 GLU A 169 -7.688 -11.751 -7.895 1.00 1.77 O ATOM 2209 OE2 GLU A 169 -5.936 -13.066 -7.909 1.00 2.12 O ATOM 0 H GLU A 169 -3.697 -8.449 -5.519 1.00 0.54 H new ATOM 0 HA GLU A 169 -5.714 -10.019 -3.974 1.00 0.55 H new ATOM 0 HB2 GLU A 169 -6.023 -9.680 -6.534 1.00 0.67 H new ATOM 0 HB3 GLU A 169 -4.580 -10.659 -6.710 1.00 0.67 H new ATOM 0 HG2 GLU A 169 -5.721 -12.505 -5.420 1.00 0.80 H new ATOM 0 HG3 GLU A 169 -7.174 -11.528 -5.357 1.00 0.80 H new ATOM 2216 N LEU A 170 -3.993 -11.905 -3.506 1.00 0.52 N ATOM 2217 CA LEU A 170 -2.921 -12.757 -2.970 1.00 0.54 C ATOM 2218 C LEU A 170 -1.997 -13.283 -4.091 1.00 0.57 C ATOM 2219 O LEU A 170 -2.492 -13.595 -5.183 1.00 0.60 O ATOM 2220 CB LEU A 170 -3.492 -13.932 -2.156 1.00 0.66 C ATOM 2221 CG LEU A 170 -3.761 -13.683 -0.660 1.00 0.79 C ATOM 2222 CD1 LEU A 170 -2.512 -13.352 0.161 1.00 1.67 C ATOM 2223 CD2 LEU A 170 -4.744 -12.544 -0.463 1.00 1.58 C ATOM 0 H LEU A 170 -4.934 -12.257 -3.332 1.00 0.52 H new ATOM 0 HA LEU A 170 -2.325 -12.134 -2.303 1.00 0.54 H new ATOM 0 HB2 LEU A 170 -4.428 -14.243 -2.621 1.00 0.66 H new ATOM 0 HB3 LEU A 170 -2.800 -14.770 -2.241 1.00 0.66 H new ATOM 0 HG LEU A 170 -4.164 -14.630 -0.301 1.00 0.79 H new ATOM 0 HD11 LEU A 170 -2.793 -13.192 1.202 1.00 1.67 H new ATOM 0 HD12 LEU A 170 -1.806 -14.180 0.099 1.00 1.67 H new ATOM 0 HD13 LEU A 170 -2.047 -12.448 -0.233 1.00 1.67 H new ATOM 0 HD21 LEU A 170 -4.915 -12.391 0.603 1.00 1.58 H new ATOM 0 HD22 LEU A 170 -4.337 -11.632 -0.900 1.00 1.58 H new ATOM 0 HD23 LEU A 170 -5.688 -12.789 -0.950 1.00 1.58 H new ATOM 2235 N PRO A 171 -0.678 -13.407 -3.826 1.00 0.63 N ATOM 2236 CA PRO A 171 0.330 -13.672 -4.846 1.00 0.74 C ATOM 2237 C PRO A 171 0.154 -15.044 -5.488 1.00 0.84 C ATOM 2238 O PRO A 171 0.377 -16.076 -4.856 1.00 0.84 O ATOM 2239 CB PRO A 171 1.696 -13.510 -4.172 1.00 0.72 C ATOM 2240 CG PRO A 171 1.399 -13.700 -2.690 1.00 0.72 C ATOM 2241 CD PRO A 171 -0.037 -13.221 -2.534 1.00 0.67 C ATOM 0 HA PRO A 171 0.232 -12.968 -5.672 1.00 0.74 H new ATOM 0 HB2 PRO A 171 2.410 -14.249 -4.534 1.00 0.72 H new ATOM 0 HB3 PRO A 171 2.125 -12.528 -4.371 1.00 0.72 H new ATOM 0 HG2 PRO A 171 1.506 -14.743 -2.393 1.00 0.72 H new ATOM 0 HG3 PRO A 171 2.082 -13.120 -2.069 1.00 0.72 H new ATOM 0 HD2 PRO A 171 -0.553 -13.789 -1.760 1.00 0.67 H new ATOM 0 HD3 PRO A 171 -0.066 -12.173 -2.234 1.00 0.67 H new ATOM 2249 N LEU A 172 -0.245 -15.030 -6.757 1.00 1.08 N ATOM 2250 CA LEU A 172 -0.485 -16.192 -7.602 1.00 1.13 C ATOM 2251 C LEU A 172 -0.028 -15.887 -9.042 1.00 1.20 C ATOM 2252 O LEU A 172 -0.822 -15.885 -9.985 1.00 1.50 O ATOM 2253 CB LEU A 172 -1.975 -16.553 -7.448 1.00 1.22 C ATOM 2254 CG LEU A 172 -2.374 -17.936 -7.978 1.00 1.59 C ATOM 2255 CD1 LEU A 172 -1.599 -19.058 -7.286 1.00 1.95 C ATOM 2256 CD2 LEU A 172 -3.863 -18.134 -7.706 1.00 2.71 C ATOM 0 H LEU A 172 -0.419 -14.154 -7.250 1.00 1.08 H new ATOM 0 HA LEU A 172 0.096 -17.067 -7.310 1.00 1.13 H new ATOM 0 HB2 LEU A 172 -2.238 -16.498 -6.392 1.00 1.22 H new ATOM 0 HB3 LEU A 172 -2.569 -15.799 -7.964 1.00 1.22 H new ATOM 0 HG LEU A 172 -2.147 -17.978 -9.043 1.00 1.59 H new ATOM 0 HD11 LEU A 172 -1.912 -20.020 -7.691 1.00 1.95 H new ATOM 0 HD12 LEU A 172 -0.531 -18.922 -7.458 1.00 1.95 H new ATOM 0 HD13 LEU A 172 -1.800 -19.032 -6.215 1.00 1.95 H new ATOM 0 HD21 LEU A 172 -4.173 -19.112 -8.074 1.00 2.71 H new ATOM 0 HD22 LEU A 172 -4.048 -18.074 -6.633 1.00 2.71 H new ATOM 0 HD23 LEU A 172 -4.433 -17.357 -8.216 1.00 2.71 H new ATOM 2268 N ASN A 173 1.246 -15.511 -9.185 1.00 1.21 N ATOM 2269 CA ASN A 173 1.845 -14.968 -10.419 1.00 1.32 C ATOM 2270 C ASN A 173 3.320 -15.413 -10.612 1.00 1.53 C ATOM 2271 O ASN A 173 4.134 -14.759 -11.258 1.00 3.26 O ATOM 2272 CB ASN A 173 1.636 -13.442 -10.378 1.00 1.50 C ATOM 2273 CG ASN A 173 2.047 -12.738 -11.642 1.00 2.15 C ATOM 2274 OD1 ASN A 173 1.368 -12.775 -12.658 1.00 3.25 O ATOM 2275 ND2 ASN A 173 3.174 -12.082 -11.623 1.00 2.59 N ATOM 0 H ASN A 173 1.917 -15.577 -8.420 1.00 1.21 H new ATOM 0 HA ASN A 173 1.355 -15.371 -11.305 1.00 1.32 H new ATOM 0 HB2 ASN A 173 0.584 -13.234 -10.183 1.00 1.50 H new ATOM 0 HB3 ASN A 173 2.202 -13.030 -9.543 1.00 1.50 H new ATOM 0 HD21 ASN A 173 3.495 -11.595 -12.460 1.00 2.59 H new ATOM 0 HD22 ASN A 173 3.735 -12.056 -10.771 1.00 2.59 H new ATOM 2282 N ASP A 174 3.691 -16.529 -9.990 1.00 1.04 N ATOM 2283 CA ASP A 174 5.033 -17.147 -9.992 1.00 1.23 C ATOM 2284 C ASP A 174 6.167 -16.194 -9.556 1.00 1.03 C ATOM 2285 O ASP A 174 7.308 -16.296 -10.021 1.00 1.22 O ATOM 2286 CB ASP A 174 5.301 -17.877 -11.320 1.00 1.69 C ATOM 2287 CG ASP A 174 4.289 -18.992 -11.548 1.00 3.05 C ATOM 2288 OD1 ASP A 174 4.492 -20.115 -11.024 1.00 4.09 O ATOM 2289 OD2 ASP A 174 3.243 -18.737 -12.190 1.00 4.17 O ATOM 0 H ASP A 174 3.027 -17.067 -9.433 1.00 1.04 H new ATOM 0 HA ASP A 174 5.033 -17.905 -9.209 1.00 1.23 H new ATOM 0 HB2 ASP A 174 5.255 -17.166 -12.145 1.00 1.69 H new ATOM 0 HB3 ASP A 174 6.309 -18.292 -11.313 1.00 1.69 H new ATOM 2294 N VAL A 175 5.859 -15.263 -8.651 1.00 0.87 N ATOM 2295 CA VAL A 175 6.831 -14.353 -8.028 1.00 0.82 C ATOM 2296 C VAL A 175 7.366 -14.962 -6.732 1.00 0.84 C ATOM 2297 O VAL A 175 6.660 -15.726 -6.066 1.00 0.91 O ATOM 2298 CB VAL A 175 6.308 -12.914 -7.892 1.00 0.76 C ATOM 2299 CG1 VAL A 175 5.640 -12.463 -9.199 1.00 0.91 C ATOM 2300 CG2 VAL A 175 5.309 -12.720 -6.758 1.00 0.63 C ATOM 0 H VAL A 175 4.905 -15.115 -8.321 1.00 0.87 H new ATOM 0 HA VAL A 175 7.684 -14.247 -8.699 1.00 0.82 H new ATOM 0 HB VAL A 175 7.187 -12.311 -7.663 1.00 0.76 H new ATOM 0 HG11 VAL A 175 5.275 -11.442 -9.087 1.00 0.91 H new ATOM 0 HG12 VAL A 175 6.366 -12.502 -10.011 1.00 0.91 H new ATOM 0 HG13 VAL A 175 4.804 -13.124 -9.428 1.00 0.91 H new ATOM 0 HG21 VAL A 175 4.989 -11.679 -6.729 1.00 0.63 H new ATOM 0 HG22 VAL A 175 4.443 -13.362 -6.922 1.00 0.63 H new ATOM 0 HG23 VAL A 175 5.779 -12.981 -5.810 1.00 0.63 H new ATOM 2310 N VAL A 176 8.627 -14.684 -6.402 1.00 0.84 N ATOM 2311 CA VAL A 176 9.273 -15.181 -5.173 1.00 0.89 C ATOM 2312 C VAL A 176 8.932 -14.267 -3.996 1.00 0.76 C ATOM 2313 O VAL A 176 8.615 -14.747 -2.909 1.00 0.85 O ATOM 2314 CB VAL A 176 10.798 -15.321 -5.366 1.00 1.06 C ATOM 2315 CG1 VAL A 176 11.475 -15.874 -4.111 1.00 1.48 C ATOM 2316 CG2 VAL A 176 11.139 -16.262 -6.530 1.00 1.38 C ATOM 0 H VAL A 176 9.238 -14.105 -6.978 1.00 0.84 H new ATOM 0 HA VAL A 176 8.888 -16.176 -4.951 1.00 0.89 H new ATOM 0 HB VAL A 176 11.165 -14.317 -5.579 1.00 1.06 H new ATOM 0 HG11 VAL A 176 12.548 -15.959 -4.284 1.00 1.48 H new ATOM 0 HG12 VAL A 176 11.295 -15.200 -3.273 1.00 1.48 H new ATOM 0 HG13 VAL A 176 11.066 -16.858 -3.880 1.00 1.48 H new ATOM 0 HG21 VAL A 176 12.222 -16.335 -6.634 1.00 1.38 H new ATOM 0 HG22 VAL A 176 10.726 -17.251 -6.331 1.00 1.38 H new ATOM 0 HG23 VAL A 176 10.711 -15.869 -7.453 1.00 1.38 H new ATOM 2326 N ASP A 177 8.908 -12.955 -4.230 1.00 0.66 N ATOM 2327 CA ASP A 177 8.498 -11.920 -3.278 1.00 0.62 C ATOM 2328 C ASP A 177 7.440 -11.007 -3.920 1.00 0.45 C ATOM 2329 O ASP A 177 7.598 -10.599 -5.074 1.00 0.49 O ATOM 2330 CB ASP A 177 9.710 -11.081 -2.859 1.00 0.84 C ATOM 2331 CG ASP A 177 10.720 -11.816 -1.981 1.00 1.60 C ATOM 2332 OD1 ASP A 177 10.566 -11.757 -0.734 1.00 2.25 O ATOM 2333 OD2 ASP A 177 11.728 -12.327 -2.529 1.00 3.01 O ATOM 0 H ASP A 177 9.187 -12.565 -5.131 1.00 0.66 H new ATOM 0 HA ASP A 177 8.073 -12.402 -2.397 1.00 0.62 H new ATOM 0 HB2 ASP A 177 10.218 -10.727 -3.756 1.00 0.84 H new ATOM 0 HB3 ASP A 177 9.357 -10.199 -2.324 1.00 0.84 H new ATOM 2338 N ALA A 178 6.388 -10.653 -3.174 1.00 0.36 N ATOM 2339 CA ALA A 178 5.334 -9.747 -3.635 1.00 0.32 C ATOM 2340 C ALA A 178 5.580 -8.303 -3.173 1.00 0.31 C ATOM 2341 O ALA A 178 6.047 -8.087 -2.047 1.00 0.33 O ATOM 2342 CB ALA A 178 3.980 -10.253 -3.133 1.00 0.34 C ATOM 0 H ALA A 178 6.244 -10.992 -2.223 1.00 0.36 H new ATOM 0 HA ALA A 178 5.340 -9.736 -4.725 1.00 0.32 H new ATOM 0 HB1 ALA A 178 3.192 -9.582 -3.474 1.00 0.34 H new ATOM 0 HB2 ALA A 178 3.798 -11.254 -3.524 1.00 0.34 H new ATOM 0 HB3 ALA A 178 3.984 -10.284 -2.043 1.00 0.34 H new ATOM 2348 N HIS A 179 5.221 -7.318 -4.005 1.00 0.32 N ATOM 2349 CA HIS A 179 5.370 -5.897 -3.676 1.00 0.33 C ATOM 2350 C HIS A 179 4.174 -5.004 -4.080 1.00 0.32 C ATOM 2351 O HIS A 179 3.225 -5.441 -4.744 1.00 0.40 O ATOM 2352 CB HIS A 179 6.702 -5.355 -4.238 1.00 0.36 C ATOM 2353 CG HIS A 179 7.934 -6.099 -3.787 1.00 0.42 C ATOM 2354 ND1 HIS A 179 8.842 -5.670 -2.850 1.00 0.51 N ATOM 2355 CD2 HIS A 179 8.380 -7.304 -4.258 1.00 0.44 C ATOM 2356 CE1 HIS A 179 9.799 -6.602 -2.731 1.00 0.57 C ATOM 2357 NE2 HIS A 179 9.563 -7.623 -3.573 1.00 0.52 N ATOM 0 H HIS A 179 4.818 -7.485 -4.927 1.00 0.32 H new ATOM 0 HA HIS A 179 5.386 -5.845 -2.587 1.00 0.33 H new ATOM 0 HB2 HIS A 179 6.658 -5.382 -5.327 1.00 0.36 H new ATOM 0 HB3 HIS A 179 6.802 -4.309 -3.949 1.00 0.36 H new ATOM 0 HD1 HIS A 179 8.796 -4.792 -2.333 1.00 0.51 H new ATOM 0 HD2 HIS A 179 7.906 -7.903 -5.021 1.00 0.44 H new ATOM 0 HE1 HIS A 179 10.639 -6.541 -2.055 1.00 0.57 H new ATOM 2365 N VAL A 180 4.223 -3.745 -3.627 1.00 0.30 N ATOM 2366 CA VAL A 180 3.260 -2.661 -3.899 1.00 0.33 C ATOM 2367 C VAL A 180 3.989 -1.338 -4.134 1.00 0.36 C ATOM 2368 O VAL A 180 4.919 -1.035 -3.385 1.00 0.36 O ATOM 2369 CB VAL A 180 2.300 -2.397 -2.717 1.00 0.41 C ATOM 2370 CG1 VAL A 180 0.946 -1.955 -3.252 1.00 0.54 C ATOM 2371 CG2 VAL A 180 2.111 -3.536 -1.717 1.00 0.44 C ATOM 0 H VAL A 180 4.983 -3.433 -3.022 1.00 0.30 H new ATOM 0 HA VAL A 180 2.701 -2.993 -4.774 1.00 0.33 H new ATOM 0 HB VAL A 180 2.791 -1.614 -2.139 1.00 0.41 H new ATOM 0 HG11 VAL A 180 0.269 -1.769 -2.419 1.00 0.54 H new ATOM 0 HG12 VAL A 180 1.065 -1.041 -3.834 1.00 0.54 H new ATOM 0 HG13 VAL A 180 0.533 -2.738 -3.887 1.00 0.54 H new ATOM 0 HG21 VAL A 180 1.415 -3.224 -0.938 1.00 0.44 H new ATOM 0 HG22 VAL A 180 1.712 -4.410 -2.232 1.00 0.44 H new ATOM 0 HG23 VAL A 180 3.071 -3.788 -1.267 1.00 0.44 H new ATOM 2381 N TYR A 181 3.503 -0.505 -5.060 1.00 0.43 N ATOM 2382 CA TYR A 181 4.060 0.826 -5.345 1.00 0.47 C ATOM 2383 C TYR A 181 2.999 1.952 -5.375 1.00 0.57 C ATOM 2384 O TYR A 181 2.624 2.437 -6.451 1.00 0.76 O ATOM 2385 CB TYR A 181 4.908 0.759 -6.611 1.00 0.54 C ATOM 2386 CG TYR A 181 6.225 0.040 -6.383 1.00 0.61 C ATOM 2387 CD1 TYR A 181 7.336 0.769 -5.926 1.00 1.96 C ATOM 2388 CD2 TYR A 181 6.323 -1.355 -6.539 1.00 1.48 C ATOM 2389 CE1 TYR A 181 8.566 0.128 -5.691 1.00 2.05 C ATOM 2390 CE2 TYR A 181 7.537 -2.011 -6.256 1.00 1.50 C ATOM 2391 CZ TYR A 181 8.669 -1.268 -5.856 1.00 0.88 C ATOM 2392 OH TYR A 181 9.856 -1.896 -5.645 1.00 1.05 O ATOM 0 H TYR A 181 2.699 -0.738 -5.643 1.00 0.43 H new ATOM 0 HA TYR A 181 4.705 1.107 -4.513 1.00 0.47 H new ATOM 0 HB2 TYR A 181 4.348 0.248 -7.394 1.00 0.54 H new ATOM 0 HB3 TYR A 181 5.105 1.770 -6.968 1.00 0.54 H new ATOM 0 HD1 TYR A 181 7.245 1.831 -5.754 1.00 1.96 H new ATOM 0 HD2 TYR A 181 5.468 -1.922 -6.876 1.00 1.48 H new ATOM 0 HE1 TYR A 181 9.428 0.703 -5.385 1.00 2.05 H new ATOM 0 HE2 TYR A 181 7.602 -3.085 -6.345 1.00 1.50 H new ATOM 0 HH TYR A 181 9.754 -2.557 -4.928 1.00 1.05 H new ATOM 2402 N PRO A 182 2.490 2.383 -4.203 1.00 0.52 N ATOM 2403 CA PRO A 182 1.560 3.505 -4.069 1.00 0.63 C ATOM 2404 C PRO A 182 2.178 4.847 -4.480 1.00 0.77 C ATOM 2405 O PRO A 182 3.382 5.076 -4.343 1.00 0.79 O ATOM 2406 CB PRO A 182 1.100 3.499 -2.610 1.00 0.62 C ATOM 2407 CG PRO A 182 2.208 2.763 -1.867 1.00 0.62 C ATOM 2408 CD PRO A 182 2.715 1.768 -2.909 1.00 0.46 C ATOM 0 HA PRO A 182 0.716 3.385 -4.749 1.00 0.63 H new ATOM 0 HB2 PRO A 182 0.972 4.512 -2.230 1.00 0.62 H new ATOM 0 HB3 PRO A 182 0.141 2.992 -2.498 1.00 0.62 H new ATOM 0 HG2 PRO A 182 2.995 3.442 -1.540 1.00 0.62 H new ATOM 0 HG3 PRO A 182 1.832 2.259 -0.977 1.00 0.62 H new ATOM 0 HD2 PRO A 182 3.773 1.554 -2.759 1.00 0.46 H new ATOM 0 HD3 PRO A 182 2.184 0.819 -2.832 1.00 0.46 H new ATOM 2416 N LYS A 183 1.323 5.734 -4.999 1.00 0.93 N ATOM 2417 CA LYS A 183 1.662 6.992 -5.690 1.00 1.02 C ATOM 2418 C LYS A 183 0.731 8.122 -5.208 1.00 1.12 C ATOM 2419 O LYS A 183 0.231 8.081 -4.084 1.00 1.85 O ATOM 2420 CB LYS A 183 1.571 6.697 -7.212 1.00 1.01 C ATOM 2421 CG LYS A 183 2.742 5.815 -7.696 1.00 1.21 C ATOM 2422 CD LYS A 183 2.662 5.366 -9.164 1.00 1.56 C ATOM 2423 CE LYS A 183 1.408 4.557 -9.520 1.00 1.31 C ATOM 2424 NZ LYS A 183 1.278 3.290 -8.757 1.00 2.13 N ATOM 0 H LYS A 183 0.315 5.589 -4.947 1.00 0.93 H new ATOM 0 HA LYS A 183 2.670 7.342 -5.466 1.00 1.02 H new ATOM 0 HB2 LYS A 183 0.626 6.199 -7.430 1.00 1.01 H new ATOM 0 HB3 LYS A 183 1.571 7.636 -7.765 1.00 1.01 H new ATOM 0 HG2 LYS A 183 3.673 6.364 -7.551 1.00 1.21 H new ATOM 0 HG3 LYS A 183 2.793 4.928 -7.064 1.00 1.21 H new ATOM 0 HD2 LYS A 183 2.702 6.249 -9.802 1.00 1.56 H new ATOM 0 HD3 LYS A 183 3.542 4.766 -9.395 1.00 1.56 H new ATOM 0 HE2 LYS A 183 0.526 5.172 -9.339 1.00 1.31 H new ATOM 0 HE3 LYS A 183 1.424 4.329 -10.586 1.00 1.31 H new ATOM 0 HZ1 LYS A 183 1.349 2.483 -9.409 1.00 2.13 H new ATOM 0 HZ2 LYS A 183 2.038 3.231 -8.050 1.00 2.13 H new ATOM 0 HZ3 LYS A 183 0.356 3.267 -8.277 1.00 2.13 H new ATOM 2438 N ASN A 184 0.537 9.162 -6.017 0.49 0.57 N ATOM 2439 CA ASN A 184 -0.507 10.181 -5.860 0.49 0.47 C ATOM 2440 C ASN A 184 -1.170 10.437 -7.225 0.49 0.52 C ATOM 2441 O ASN A 184 -0.614 10.054 -8.255 0.49 0.69 O ATOM 2442 CB ASN A 184 0.031 11.444 -5.170 0.49 0.71 C ATOM 2443 CG ASN A 184 0.519 12.488 -6.125 0.49 2.26 C ATOM 2444 OD1 ASN A 184 -0.230 13.176 -6.799 0.49 3.96 O ATOM 2445 ND2 ASN A 184 1.794 12.673 -6.204 0.49 2.83 N ATOM 0 H ASN A 184 1.125 9.327 -6.834 0.49 0.57 H new ATOM 0 HA ASN A 184 -1.285 9.819 -5.188 0.49 0.47 H new ATOM 0 HB2 ASN A 184 -0.756 11.872 -4.549 0.49 0.71 H new ATOM 0 HB3 ASN A 184 0.847 11.164 -4.503 0.49 0.71 H new ATOM 0 HD21 ASN A 184 2.168 13.390 -6.826 0.49 2.83 H new ATOM 0 HD22 ASN A 184 2.428 12.103 -5.644 0.49 2.83 H new ATOM 2452 N THR A 185 -2.338 11.081 -7.244 0.49 0.71 N ATOM 2453 CA THR A 185 -2.957 11.579 -8.494 0.49 0.96 C ATOM 2454 C THR A 185 -3.259 13.081 -8.466 0.49 1.22 C ATOM 2455 O THR A 185 -3.260 13.746 -9.504 0.49 2.50 O ATOM 2456 CB THR A 185 -4.215 10.761 -8.814 0.49 1.03 C ATOM 2457 OG1 THR A 185 -4.622 11.013 -10.135 0.49 1.51 O ATOM 2458 CG2 THR A 185 -5.400 11.052 -7.896 0.49 0.99 C ATOM 0 H THR A 185 -2.885 11.276 -6.406 0.49 0.71 H new ATOM 0 HA THR A 185 -2.226 11.444 -9.291 0.49 0.96 H new ATOM 0 HB THR A 185 -3.931 9.719 -8.664 0.49 1.03 H new ATOM 0 HG1 THR A 185 -5.425 10.488 -10.336 0.49 1.51 H new ATOM 0 HG21 THR A 185 -6.248 10.433 -8.189 0.49 0.99 H new ATOM 0 HG22 THR A 185 -5.126 10.827 -6.865 0.49 0.99 H new ATOM 0 HG23 THR A 185 -5.673 12.104 -7.977 0.49 0.99 H new