USER MOD reduce.3.24.130724 H: found=0, std=0, add=1224, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 1150 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 101 THR OG1 : rot -105:sc= -0.856! USER MOD Set 1.2: A 103 ASN : amide:sc=-0.00257 K(o=-0.86,f=-1.9) USER MOD Single : A 1 PHE N :NH3+ -168:sc= 0.349 (180deg=0.206) USER MOD Single : A 2 LYS NZ :NH3+ -168:sc= -0.0107 (180deg=-0.144) USER MOD Single : A 3 TYR OH : rot 180:sc= 0.0253 USER MOD Single : A 10 TYR OH : rot 121:sc= -0.443 USER MOD Single : A 14 MET CE :methyl -140:sc= -1.93 (180deg=-4.06!) USER MOD Single : A 23 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 24 ASN : amide:sc= 1.13 K(o=1.1,f=-0.061) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 174:sc= 1.99 (180deg=1.83) USER MOD Single : A 31 THR OG1 : rot 59:sc= 0.863 USER MOD Single : A 34 LYS NZ :NH3+ 161:sc= 1.91 (180deg=0.44) USER MOD Single : A 38 LYS NZ :NH3+ 158:sc= -0.102 (180deg=-1.55!) USER MOD Single : A 42 TYR OH : rot -178:sc= 0.84 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN :FLIP amide:sc= -0.171 F(o=-5.7!,f=-0.17) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.787 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 167:sc= 1.28 (180deg=1.14) USER MOD Single : A 54 LYS NZ :NH3+ -167:sc= -0.0253 (180deg=-0.194) USER MOD Single : A 55 LYS NZ :NH3+ 158:sc= -0.0805 (180deg=-0.449) USER MOD Single : A 56 SER OG : rot 170:sc= -0.0573 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 170:sc= 1.02 (180deg=0.806) USER MOD Single : A 67 HIS : no HD1:sc= 0.184 K(o=0.18,f=-2.2!) USER MOD Single : A 69 MET CE :methyl -136:sc= -2.3! (180deg=-3.03!) USER MOD Single : A 71 LYS NZ :NH3+ -154:sc= 1.14 (180deg=0.676) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 173:sc= 1.27 (180deg=1.07) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ -156:sc= 1.1 (180deg=0.247) USER MOD Single : A 88 SER OG : rot -76:sc= 1.07 USER MOD Single : A 96 LYS NZ :NH3+ 174:sc= 0.452 (180deg=0.434) USER MOD Single : A 99 TYR OH : rot 100:sc= -0.181 USER MOD Single : A 100 TYR OH : rot -36:sc= 0.145 USER MOD Single : A 106 THR OG1 : rot 180:sc= -0.0575 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ -163:sc= 0.21 (180deg=-0.429) USER MOD Single : A 113 SER OG : rot -84:sc= -0.634 USER MOD Single : A 115 LYS NZ :NH3+ -122:sc= 1.22 (180deg=-0.137) USER MOD Single : A 119 LYS NZ :NH3+ -177:sc= -0.254 (180deg=-0.265) USER MOD Single : A 121 TYR OH : rot 30:sc= -0.161 USER MOD Single : A 122 LYS NZ :NH3+ -128:sc= 0.824 (180deg=-0.00455) USER MOD Single : A 124 MET CE :methyl -136:sc= -0.75 (180deg=-1.87!) USER MOD Single : A 125 SER OG : rot 123:sc= 1.28 USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 LYS NZ :NH3+ -167:sc= 1.28 (180deg=1.21) USER MOD Single : A 135 GLN : amide:sc= -0.511 K(o=-0.51,f=-5!) USER MOD Single : A 141 LYS NZ :NH3+ 138:sc= -0.0691 (180deg=-0.477) USER MOD Single : A 145 SER OG : rot 180:sc= 0 USER MOD Single : A 147 LYS NZ :NH3+ 169:sc= 1.21 (180deg=1.13) USER MOD Single : A 150 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 221 N PHE A 1 3.417 18.447 -10.370 1.00 1.03 N ATOM 222 CA PHE A 1 2.693 17.270 -10.831 1.00 1.07 C ATOM 223 C PHE A 1 1.213 17.367 -10.483 1.00 0.89 C ATOM 224 O PHE A 1 0.837 17.952 -9.468 1.00 0.81 O ATOM 225 CB PHE A 1 3.295 15.997 -10.218 1.00 1.39 C ATOM 226 CG PHE A 1 2.992 15.807 -8.752 1.00 0.93 C ATOM 227 CD1 PHE A 1 3.574 16.621 -7.790 1.00 1.15 C ATOM 228 CD2 PHE A 1 2.122 14.808 -8.339 1.00 1.11 C ATOM 229 CE1 PHE A 1 3.290 16.442 -6.449 1.00 1.47 C ATOM 230 CE2 PHE A 1 1.836 14.627 -6.999 1.00 1.14 C ATOM 231 CZ PHE A 1 2.421 15.445 -6.053 1.00 1.31 C ATOM 0 H1 PHE A 1 4.368 18.456 -10.790 1.00 1.03 H new ATOM 0 H2 PHE A 1 2.904 19.305 -10.657 1.00 1.03 H new ATOM 0 H3 PHE A 1 3.497 18.422 -9.333 1.00 1.03 H new ATOM 0 HA PHE A 1 2.788 17.221 -11.916 1.00 1.07 H new ATOM 0 HB2 PHE A 1 2.923 15.133 -10.768 1.00 1.39 H new ATOM 0 HB3 PHE A 1 4.376 16.020 -10.353 1.00 1.39 H new ATOM 0 HD1 PHE A 1 4.256 17.402 -8.092 1.00 1.15 H new ATOM 0 HD2 PHE A 1 1.663 14.164 -9.074 1.00 1.11 H new ATOM 0 HE1 PHE A 1 3.748 17.083 -5.710 1.00 1.47 H new ATOM 0 HE2 PHE A 1 1.156 13.846 -6.692 1.00 1.14 H new ATOM 0 HZ PHE A 1 2.199 15.305 -5.005 1.00 1.31 H new ATOM 241 N LYS A 2 0.382 16.790 -11.332 1.00 0.96 N ATOM 242 CA LYS A 2 -1.052 16.764 -11.097 1.00 0.98 C ATOM 243 C LYS A 2 -1.506 15.334 -10.863 1.00 1.01 C ATOM 244 O LYS A 2 -0.751 14.401 -11.141 1.00 1.42 O ATOM 245 CB LYS A 2 -1.810 17.371 -12.283 1.00 1.14 C ATOM 246 CG LYS A 2 -1.513 18.845 -12.511 1.00 1.62 C ATOM 247 CD LYS A 2 -2.276 19.385 -13.711 1.00 2.02 C ATOM 248 CE LYS A 2 -2.029 20.873 -13.911 1.00 2.67 C ATOM 249 NZ LYS A 2 -2.561 21.688 -12.786 1.00 3.15 N ATOM 0 H LYS A 2 0.676 16.331 -12.194 1.00 0.96 H new ATOM 0 HA LYS A 2 -1.271 17.362 -10.212 1.00 0.98 H new ATOM 0 HB2 LYS A 2 -1.558 16.815 -13.186 1.00 1.14 H new ATOM 0 HB3 LYS A 2 -2.881 17.246 -12.120 1.00 1.14 H new ATOM 0 HG2 LYS A 2 -1.782 19.414 -11.621 1.00 1.62 H new ATOM 0 HG3 LYS A 2 -0.443 18.982 -12.666 1.00 1.62 H new ATOM 0 HD2 LYS A 2 -1.976 18.842 -14.607 1.00 2.02 H new ATOM 0 HD3 LYS A 2 -3.343 19.208 -13.574 1.00 2.02 H new ATOM 0 HE2 LYS A 2 -0.958 21.051 -14.012 1.00 2.67 H new ATOM 0 HE3 LYS A 2 -2.495 21.195 -14.842 1.00 2.67 H new ATOM 0 HZ1 LYS A 2 -2.556 22.693 -13.053 1.00 3.15 H new ATOM 0 HZ2 LYS A 2 -3.535 21.392 -12.573 1.00 3.15 H new ATOM 0 HZ3 LYS A 2 -1.965 21.550 -11.945 1.00 3.15 H new ATOM 263 N TYR A 3 -2.716 15.155 -10.350 1.00 0.91 N ATOM 264 CA TYR A 3 -3.238 13.816 -10.097 1.00 0.94 C ATOM 265 C TYR A 3 -3.191 12.981 -11.373 1.00 1.01 C ATOM 266 O TYR A 3 -2.642 11.881 -11.387 1.00 0.90 O ATOM 267 CB TYR A 3 -4.671 13.888 -9.560 1.00 1.02 C ATOM 268 CG TYR A 3 -5.257 12.541 -9.193 1.00 1.12 C ATOM 269 CD1 TYR A 3 -4.759 11.815 -8.118 1.00 1.31 C ATOM 270 CD2 TYR A 3 -6.303 11.995 -9.924 1.00 1.36 C ATOM 271 CE1 TYR A 3 -5.288 10.583 -7.782 1.00 1.62 C ATOM 272 CE2 TYR A 3 -6.837 10.764 -9.594 1.00 1.78 C ATOM 273 CZ TYR A 3 -6.326 10.063 -8.525 1.00 1.87 C ATOM 274 OH TYR A 3 -6.853 8.834 -8.199 1.00 2.35 O ATOM 0 H TYR A 3 -3.352 15.913 -10.102 1.00 0.91 H new ATOM 0 HA TYR A 3 -2.612 13.339 -9.343 1.00 0.94 H new ATOM 0 HB2 TYR A 3 -4.687 14.532 -8.681 1.00 1.02 H new ATOM 0 HB3 TYR A 3 -5.307 14.357 -10.311 1.00 1.02 H new ATOM 0 HD1 TYR A 3 -3.945 12.220 -7.535 1.00 1.31 H new ATOM 0 HD2 TYR A 3 -6.706 12.541 -10.764 1.00 1.36 H new ATOM 0 HE1 TYR A 3 -4.891 10.031 -6.943 1.00 1.62 H new ATOM 0 HE2 TYR A 3 -7.652 10.354 -10.172 1.00 1.78 H new ATOM 0 HH TYR A 3 -7.578 8.614 -8.820 1.00 2.35 H new ATOM 284 N GLU A 4 -3.733 13.537 -12.449 1.00 1.38 N ATOM 285 CA GLU A 4 -3.777 12.855 -13.740 1.00 1.74 C ATOM 286 C GLU A 4 -2.431 12.895 -14.469 1.00 1.24 C ATOM 287 O GLU A 4 -2.354 12.529 -15.643 1.00 1.52 O ATOM 288 CB GLU A 4 -4.850 13.495 -14.626 1.00 2.44 C ATOM 289 CG GLU A 4 -6.269 13.303 -14.116 1.00 3.05 C ATOM 290 CD GLU A 4 -6.735 11.868 -14.225 1.00 3.65 C ATOM 291 OE1 GLU A 4 -7.044 11.423 -15.347 1.00 4.16 O ATOM 292 OE2 GLU A 4 -6.792 11.173 -13.192 1.00 3.95 O ATOM 0 H GLU A 4 -4.152 14.467 -12.454 1.00 1.38 H new ATOM 0 HA GLU A 4 -4.016 11.810 -13.544 1.00 1.74 H new ATOM 0 HB2 GLU A 4 -4.647 14.563 -14.711 1.00 2.44 H new ATOM 0 HB3 GLU A 4 -4.776 13.075 -15.629 1.00 2.44 H new ATOM 0 HG2 GLU A 4 -6.324 13.621 -13.075 1.00 3.05 H new ATOM 0 HG3 GLU A 4 -6.945 13.945 -14.681 1.00 3.05 H new ATOM 299 N ASP A 5 -1.371 13.327 -13.795 1.00 0.71 N ATOM 300 CA ASP A 5 -0.069 13.436 -14.451 1.00 0.73 C ATOM 301 C ASP A 5 0.828 12.262 -14.065 1.00 0.72 C ATOM 302 O ASP A 5 1.803 11.950 -14.755 1.00 0.90 O ATOM 303 CB ASP A 5 0.601 14.766 -14.098 1.00 1.07 C ATOM 304 CG ASP A 5 1.875 15.004 -14.882 1.00 1.83 C ATOM 305 OD1 ASP A 5 1.786 15.277 -16.098 1.00 2.15 O ATOM 306 OD2 ASP A 5 2.968 14.949 -14.284 1.00 2.57 O ATOM 0 H ASP A 5 -1.383 13.603 -12.813 1.00 0.71 H new ATOM 0 HA ASP A 5 -0.225 13.406 -15.529 1.00 0.73 H new ATOM 0 HB2 ASP A 5 -0.096 15.582 -14.289 1.00 1.07 H new ATOM 0 HB3 ASP A 5 0.827 14.783 -13.032 1.00 1.07 H new ATOM 311 N ILE A 6 0.484 11.612 -12.961 1.00 0.58 N ATOM 312 CA ILE A 6 1.196 10.424 -12.507 1.00 0.55 C ATOM 313 C ILE A 6 0.821 9.246 -13.404 1.00 0.54 C ATOM 314 O ILE A 6 -0.347 9.118 -13.781 1.00 0.58 O ATOM 315 CB ILE A 6 0.816 10.077 -11.046 1.00 0.55 C ATOM 316 CG1 ILE A 6 0.988 11.296 -10.136 1.00 0.63 C ATOM 317 CG2 ILE A 6 1.648 8.909 -10.528 1.00 0.56 C ATOM 318 CD1 ILE A 6 0.525 11.060 -8.712 1.00 0.69 C ATOM 0 H ILE A 6 -0.291 11.890 -12.359 1.00 0.58 H new ATOM 0 HA ILE A 6 2.267 10.621 -12.556 1.00 0.55 H new ATOM 0 HB ILE A 6 -0.233 9.782 -11.035 1.00 0.55 H new ATOM 0 HG12 ILE A 6 2.039 11.585 -10.124 1.00 0.63 H new ATOM 0 HG13 ILE A 6 0.432 12.134 -10.556 1.00 0.63 H new ATOM 0 HG21 ILE A 6 1.361 8.686 -9.500 1.00 0.56 H new ATOM 0 HG22 ILE A 6 1.473 8.033 -11.152 1.00 0.56 H new ATOM 0 HG23 ILE A 6 2.705 9.173 -10.561 1.00 0.56 H new ATOM 0 HD11 ILE A 6 0.677 11.966 -8.125 1.00 0.69 H new ATOM 0 HD12 ILE A 6 -0.534 10.801 -8.712 1.00 0.69 H new ATOM 0 HD13 ILE A 6 1.099 10.243 -8.274 1.00 0.69 H new ATOM 325 N PRO A 7 1.801 8.393 -13.778 1.00 0.53 N ATOM 326 CA PRO A 7 1.560 7.177 -14.562 1.00 0.55 C ATOM 327 C PRO A 7 0.261 6.475 -14.172 1.00 0.53 C ATOM 328 O PRO A 7 0.143 5.908 -13.081 1.00 0.52 O ATOM 329 CB PRO A 7 2.776 6.327 -14.213 1.00 0.55 C ATOM 330 CG PRO A 7 3.873 7.324 -14.074 1.00 0.60 C ATOM 331 CD PRO A 7 3.240 8.556 -13.477 1.00 0.54 C ATOM 0 HA PRO A 7 1.443 7.374 -15.628 1.00 0.55 H new ATOM 0 HB2 PRO A 7 2.623 5.768 -13.290 1.00 0.55 H new ATOM 0 HB3 PRO A 7 2.993 5.598 -14.994 1.00 0.55 H new ATOM 0 HG2 PRO A 7 4.668 6.943 -13.432 1.00 0.60 H new ATOM 0 HG3 PRO A 7 4.324 7.546 -15.041 1.00 0.60 H new ATOM 0 HD2 PRO A 7 3.420 8.618 -12.404 1.00 0.54 H new ATOM 0 HD3 PRO A 7 3.641 9.467 -13.921 1.00 0.54 H new ATOM 339 N ALA A 8 -0.713 6.525 -15.073 1.00 0.55 N ATOM 340 CA ALA A 8 -2.059 6.064 -14.774 1.00 0.54 C ATOM 341 C ALA A 8 -2.122 4.552 -14.629 1.00 0.55 C ATOM 342 O ALA A 8 -3.077 4.025 -14.060 1.00 0.56 O ATOM 343 CB ALA A 8 -3.036 6.543 -15.836 1.00 0.57 C ATOM 0 H ALA A 8 -0.592 6.882 -16.021 1.00 0.55 H new ATOM 0 HA ALA A 8 -2.346 6.494 -13.814 1.00 0.54 H new ATOM 0 HB1 ALA A 8 -4.038 6.188 -15.595 1.00 0.57 H new ATOM 0 HB2 ALA A 8 -3.035 7.633 -15.867 1.00 0.57 H new ATOM 0 HB3 ALA A 8 -2.737 6.152 -16.809 1.00 0.57 H new ATOM 349 N ASP A 9 -1.109 3.850 -15.122 1.00 0.55 N ATOM 350 CA ASP A 9 -1.068 2.402 -14.959 1.00 0.57 C ATOM 351 C ASP A 9 -0.822 2.078 -13.495 1.00 0.54 C ATOM 352 O ASP A 9 -1.304 1.079 -12.959 1.00 0.55 O ATOM 353 CB ASP A 9 0.029 1.772 -15.816 1.00 0.61 C ATOM 354 CG ASP A 9 -0.279 1.822 -17.296 1.00 0.93 C ATOM 355 OD1 ASP A 9 -0.962 0.902 -17.793 1.00 1.33 O ATOM 356 OD2 ASP A 9 0.165 2.775 -17.968 1.00 1.37 O ATOM 0 H ASP A 9 -0.319 4.250 -15.629 1.00 0.55 H new ATOM 0 HA ASP A 9 -2.023 1.990 -15.285 1.00 0.57 H new ATOM 0 HB2 ASP A 9 0.971 2.288 -15.628 1.00 0.61 H new ATOM 0 HB3 ASP A 9 0.168 0.734 -15.514 1.00 0.61 H new ATOM 361 N TYR A 10 -0.068 2.971 -12.862 1.00 0.52 N ATOM 362 CA TYR A 10 0.314 2.841 -11.468 1.00 0.50 C ATOM 363 C TYR A 10 -0.796 3.341 -10.554 1.00 0.49 C ATOM 364 O TYR A 10 -1.045 2.763 -9.499 1.00 0.51 O ATOM 365 CB TYR A 10 1.602 3.631 -11.219 1.00 0.52 C ATOM 366 CG TYR A 10 2.015 3.719 -9.765 1.00 0.53 C ATOM 367 CD1 TYR A 10 2.675 2.667 -9.142 1.00 0.59 C ATOM 368 CD2 TYR A 10 1.752 4.861 -9.021 1.00 0.59 C ATOM 369 CE1 TYR A 10 3.058 2.752 -7.818 1.00 0.66 C ATOM 370 CE2 TYR A 10 2.136 4.955 -7.700 1.00 0.66 C ATOM 371 CZ TYR A 10 2.787 3.899 -7.102 1.00 0.70 C ATOM 372 OH TYR A 10 3.171 3.991 -5.781 1.00 0.80 O ATOM 0 H TYR A 10 0.296 3.812 -13.310 1.00 0.52 H new ATOM 0 HA TYR A 10 0.485 1.788 -11.245 1.00 0.50 H new ATOM 0 HB2 TYR A 10 2.411 3.170 -11.786 1.00 0.52 H new ATOM 0 HB3 TYR A 10 1.475 4.641 -11.609 1.00 0.52 H new ATOM 0 HD1 TYR A 10 2.892 1.769 -9.702 1.00 0.59 H new ATOM 0 HD2 TYR A 10 1.238 5.690 -9.485 1.00 0.59 H new ATOM 0 HE1 TYR A 10 3.567 1.925 -7.346 1.00 0.66 H new ATOM 0 HE2 TYR A 10 1.927 5.853 -7.137 1.00 0.66 H new ATOM 0 HH TYR A 10 3.775 4.754 -5.668 1.00 0.80 H new ATOM 382 N ARG A 11 -1.469 4.418 -10.954 1.00 0.48 N ATOM 383 CA ARG A 11 -2.553 4.958 -10.138 1.00 0.49 C ATOM 384 C ARG A 11 -3.709 3.974 -10.110 1.00 0.50 C ATOM 385 O ARG A 11 -4.479 3.908 -9.154 1.00 0.54 O ATOM 386 CB ARG A 11 -3.025 6.315 -10.660 1.00 0.51 C ATOM 387 CG ARG A 11 -2.018 7.436 -10.477 1.00 0.48 C ATOM 388 CD ARG A 11 -2.604 8.767 -10.911 1.00 0.60 C ATOM 389 NE ARG A 11 -2.651 8.903 -12.366 1.00 0.88 N ATOM 390 CZ ARG A 11 -3.704 9.362 -13.036 1.00 1.19 C ATOM 391 NH1 ARG A 11 -4.815 9.683 -12.389 1.00 1.61 N ATOM 392 NH2 ARG A 11 -3.641 9.506 -14.354 1.00 1.73 N ATOM 0 H ARG A 11 -1.288 4.925 -11.820 1.00 0.48 H new ATOM 0 HA ARG A 11 -2.177 5.107 -9.126 1.00 0.49 H new ATOM 0 HB2 ARG A 11 -3.260 6.222 -11.720 1.00 0.51 H new ATOM 0 HB3 ARG A 11 -3.950 6.586 -10.151 1.00 0.51 H new ATOM 0 HG2 ARG A 11 -1.715 7.491 -9.431 1.00 0.48 H new ATOM 0 HG3 ARG A 11 -1.121 7.223 -11.058 1.00 0.48 H new ATOM 0 HD2 ARG A 11 -3.611 8.868 -10.506 1.00 0.60 H new ATOM 0 HD3 ARG A 11 -2.009 9.578 -10.491 1.00 0.60 H new ATOM 0 HE ARG A 11 -1.826 8.629 -12.900 1.00 0.88 H new ATOM 0 HH11 ARG A 11 -4.863 9.578 -11.376 1.00 1.61 H new ATOM 0 HH12 ARG A 11 -5.622 10.035 -12.904 1.00 1.61 H new ATOM 0 HH21 ARG A 11 -2.785 9.265 -14.853 1.00 1.73 H new ATOM 0 HH22 ARG A 11 -4.449 9.858 -14.868 1.00 1.73 H new ATOM 406 N ASP A 12 -3.795 3.203 -11.185 1.00 0.48 N ATOM 407 CA ASP A 12 -4.774 2.138 -11.328 1.00 0.50 C ATOM 408 C ASP A 12 -4.462 0.975 -10.387 1.00 0.52 C ATOM 409 O ASP A 12 -5.265 0.055 -10.235 1.00 0.62 O ATOM 410 CB ASP A 12 -4.763 1.645 -12.775 1.00 0.51 C ATOM 411 CG ASP A 12 -6.135 1.214 -13.242 1.00 0.76 C ATOM 412 OD1 ASP A 12 -7.020 2.081 -13.378 1.00 1.02 O ATOM 413 OD2 ASP A 12 -6.333 0.011 -13.493 1.00 0.99 O ATOM 0 H ASP A 12 -3.179 3.302 -11.992 1.00 0.48 H new ATOM 0 HA ASP A 12 -5.758 2.528 -11.069 1.00 0.50 H new ATOM 0 HB2 ASP A 12 -4.393 2.438 -13.424 1.00 0.51 H new ATOM 0 HB3 ASP A 12 -4.070 0.808 -12.867 1.00 0.51 H new ATOM 418 N LEU A 13 -3.281 1.008 -9.777 1.00 0.50 N ATOM 419 CA LEU A 13 -2.889 0.000 -8.798 1.00 0.53 C ATOM 420 C LEU A 13 -3.130 0.515 -7.382 1.00 0.62 C ATOM 421 O LEU A 13 -3.159 -0.259 -6.429 1.00 0.93 O ATOM 422 CB LEU A 13 -1.403 -0.362 -8.949 1.00 0.49 C ATOM 423 CG LEU A 13 -0.971 -0.894 -10.320 1.00 0.44 C ATOM 424 CD1 LEU A 13 0.523 -1.193 -10.326 1.00 0.78 C ATOM 425 CD2 LEU A 13 -1.765 -2.137 -10.690 1.00 0.88 C ATOM 0 H LEU A 13 -2.576 1.726 -9.945 1.00 0.50 H new ATOM 0 HA LEU A 13 -3.495 -0.889 -8.976 1.00 0.53 H new ATOM 0 HB2 LEU A 13 -0.810 0.524 -8.723 1.00 0.49 H new ATOM 0 HB3 LEU A 13 -1.155 -1.111 -8.197 1.00 0.49 H new ATOM 0 HG LEU A 13 -1.174 -0.126 -11.066 1.00 0.44 H new ATOM 0 HD11 LEU A 13 0.815 -1.570 -11.306 1.00 0.78 H new ATOM 0 HD12 LEU A 13 1.078 -0.280 -10.109 1.00 0.78 H new ATOM 0 HD13 LEU A 13 0.747 -1.943 -9.567 1.00 0.78 H new ATOM 0 HD21 LEU A 13 -1.442 -2.498 -11.667 1.00 0.88 H new ATOM 0 HD22 LEU A 13 -1.596 -2.912 -9.943 1.00 0.88 H new ATOM 0 HD23 LEU A 13 -2.827 -1.893 -10.726 1.00 0.88 H new ATOM 437 N MET A 14 -3.306 1.825 -7.254 1.00 0.55 N ATOM 438 CA MET A 14 -3.435 2.451 -5.945 1.00 0.64 C ATOM 439 C MET A 14 -4.859 2.334 -5.416 1.00 0.55 C ATOM 440 O MET A 14 -5.823 2.572 -6.143 1.00 0.53 O ATOM 441 CB MET A 14 -3.026 3.926 -5.993 1.00 0.82 C ATOM 442 CG MET A 14 -1.569 4.148 -6.355 1.00 0.97 C ATOM 443 SD MET A 14 -0.993 5.812 -5.952 1.00 1.15 S ATOM 444 CE MET A 14 -2.162 6.829 -6.852 1.00 1.04 C ATOM 0 H MET A 14 -3.362 2.473 -8.040 1.00 0.55 H new ATOM 0 HA MET A 14 -2.764 1.921 -5.269 1.00 0.64 H new ATOM 0 HB2 MET A 14 -3.654 4.444 -6.719 1.00 0.82 H new ATOM 0 HB3 MET A 14 -3.222 4.379 -5.021 1.00 0.82 H new ATOM 0 HG2 MET A 14 -0.953 3.418 -5.829 1.00 0.97 H new ATOM 0 HG3 MET A 14 -1.433 3.970 -7.422 1.00 0.97 H new ATOM 0 HE1 MET A 14 -1.639 7.674 -7.301 1.00 1.04 H new ATOM 0 HE2 MET A 14 -2.633 6.235 -7.636 1.00 1.04 H new ATOM 0 HE3 MET A 14 -2.926 7.198 -6.168 1.00 1.04 H new ATOM 454 N PRO A 15 -4.995 1.971 -4.133 1.00 0.62 N ATOM 455 CA PRO A 15 -6.299 1.804 -3.488 1.00 0.67 C ATOM 456 C PRO A 15 -6.963 3.138 -3.160 1.00 0.59 C ATOM 457 O PRO A 15 -6.283 4.166 -3.110 1.00 0.57 O ATOM 458 CB PRO A 15 -5.949 1.054 -2.203 1.00 0.88 C ATOM 459 CG PRO A 15 -4.564 1.492 -1.882 1.00 0.90 C ATOM 460 CD PRO A 15 -3.881 1.691 -3.206 1.00 0.74 C ATOM 0 HA PRO A 15 -7.012 1.285 -4.129 1.00 0.67 H new ATOM 0 HB2 PRO A 15 -6.640 1.302 -1.398 1.00 0.88 H new ATOM 0 HB3 PRO A 15 -6.001 -0.025 -2.347 1.00 0.88 H new ATOM 0 HG2 PRO A 15 -4.570 2.415 -1.302 1.00 0.90 H new ATOM 0 HG3 PRO A 15 -4.046 0.743 -1.283 1.00 0.90 H new ATOM 0 HD2 PRO A 15 -3.171 2.518 -3.171 1.00 0.74 H new ATOM 0 HD3 PRO A 15 -3.323 0.804 -3.506 1.00 0.74 H new ATOM 468 N PRO A 16 -8.293 3.145 -2.943 1.00 0.65 N ATOM 469 CA PRO A 16 -9.050 4.361 -2.626 1.00 0.70 C ATOM 470 C PRO A 16 -8.346 5.250 -1.602 1.00 0.71 C ATOM 471 O PRO A 16 -8.189 6.452 -1.825 1.00 0.74 O ATOM 472 CB PRO A 16 -10.355 3.816 -2.054 1.00 0.85 C ATOM 473 CG PRO A 16 -10.550 2.512 -2.745 1.00 0.96 C ATOM 474 CD PRO A 16 -9.173 1.957 -3.004 1.00 0.76 C ATOM 0 HA PRO A 16 -9.178 4.999 -3.501 1.00 0.70 H new ATOM 0 HB2 PRO A 16 -10.291 3.687 -0.974 1.00 0.85 H new ATOM 0 HB3 PRO A 16 -11.186 4.495 -2.245 1.00 0.85 H new ATOM 0 HG2 PRO A 16 -11.134 1.829 -2.128 1.00 0.96 H new ATOM 0 HG3 PRO A 16 -11.097 2.645 -3.678 1.00 0.96 H new ATOM 0 HD2 PRO A 16 -8.894 1.215 -2.256 1.00 0.76 H new ATOM 0 HD3 PRO A 16 -9.116 1.467 -3.976 1.00 0.76 H new ATOM 482 N GLU A 17 -7.905 4.643 -0.499 1.00 0.78 N ATOM 483 CA GLU A 17 -7.207 5.362 0.569 1.00 0.89 C ATOM 484 C GLU A 17 -6.112 6.272 0.007 1.00 0.84 C ATOM 485 O GLU A 17 -6.155 7.491 0.167 1.00 1.13 O ATOM 486 CB GLU A 17 -6.564 4.389 1.576 1.00 1.09 C ATOM 487 CG GLU A 17 -6.924 2.922 1.382 1.00 1.48 C ATOM 488 CD GLU A 17 -8.365 2.600 1.718 1.00 1.36 C ATOM 489 OE1 GLU A 17 -8.707 2.537 2.917 1.00 1.83 O ATOM 490 OE2 GLU A 17 -9.158 2.385 0.780 1.00 1.65 O ATOM 0 H GLU A 17 -8.020 3.645 -0.321 1.00 0.78 H new ATOM 0 HA GLU A 17 -7.959 5.967 1.076 1.00 0.89 H new ATOM 0 HB2 GLU A 17 -5.481 4.492 1.515 1.00 1.09 H new ATOM 0 HB3 GLU A 17 -6.856 4.688 2.583 1.00 1.09 H new ATOM 0 HG2 GLU A 17 -6.731 2.643 0.346 1.00 1.48 H new ATOM 0 HG3 GLU A 17 -6.270 2.311 2.004 1.00 1.48 H new ATOM 497 N ALA A 18 -5.151 5.668 -0.685 1.00 0.72 N ATOM 498 CA ALA A 18 -3.971 6.387 -1.163 1.00 0.73 C ATOM 499 C ALA A 18 -4.306 7.338 -2.310 1.00 0.62 C ATOM 500 O ALA A 18 -3.462 8.128 -2.738 1.00 0.72 O ATOM 501 CB ALA A 18 -2.898 5.400 -1.593 1.00 0.82 C ATOM 0 H ALA A 18 -5.165 4.678 -0.929 1.00 0.72 H new ATOM 0 HA ALA A 18 -3.597 6.992 -0.337 1.00 0.73 H new ATOM 0 HB1 ALA A 18 -2.023 5.945 -1.947 1.00 0.82 H new ATOM 0 HB2 ALA A 18 -2.617 4.775 -0.745 1.00 0.82 H new ATOM 0 HB3 ALA A 18 -3.283 4.771 -2.395 1.00 0.82 H new ATOM 507 N ARG A 19 -5.526 7.252 -2.810 1.00 0.52 N ATOM 508 CA ARG A 19 -5.968 8.115 -3.892 1.00 0.49 C ATOM 509 C ARG A 19 -6.738 9.311 -3.348 1.00 0.50 C ATOM 510 O ARG A 19 -6.639 10.402 -3.891 1.00 0.52 O ATOM 511 CB ARG A 19 -6.821 7.328 -4.885 1.00 0.52 C ATOM 512 CG ARG A 19 -6.025 6.277 -5.641 1.00 0.64 C ATOM 513 CD ARG A 19 -6.921 5.374 -6.472 1.00 0.72 C ATOM 514 NE ARG A 19 -7.689 6.113 -7.467 1.00 1.01 N ATOM 515 CZ ARG A 19 -8.034 5.619 -8.654 1.00 1.43 C ATOM 516 NH1 ARG A 19 -7.639 4.401 -9.012 1.00 1.46 N ATOM 517 NH2 ARG A 19 -8.772 6.347 -9.484 1.00 2.16 N ATOM 0 H ARG A 19 -6.231 6.591 -2.483 1.00 0.52 H new ATOM 0 HA ARG A 19 -5.088 8.490 -4.415 1.00 0.49 H new ATOM 0 HB2 ARG A 19 -7.638 6.844 -4.351 1.00 0.52 H new ATOM 0 HB3 ARG A 19 -7.271 8.019 -5.598 1.00 0.52 H new ATOM 0 HG2 ARG A 19 -5.302 6.768 -6.292 1.00 0.64 H new ATOM 0 HG3 ARG A 19 -5.458 5.673 -4.933 1.00 0.64 H new ATOM 0 HD2 ARG A 19 -6.310 4.623 -6.973 1.00 0.72 H new ATOM 0 HD3 ARG A 19 -7.605 4.840 -5.813 1.00 0.72 H new ATOM 0 HE ARG A 19 -7.979 7.064 -7.240 1.00 1.01 H new ATOM 0 HH11 ARG A 19 -7.070 3.842 -8.376 1.00 1.46 H new ATOM 0 HH12 ARG A 19 -7.905 4.026 -9.922 1.00 1.46 H new ATOM 0 HH21 ARG A 19 -9.073 7.283 -9.211 1.00 2.16 H new ATOM 0 HH22 ARG A 19 -9.038 5.971 -10.394 1.00 2.16 H new ATOM 531 N ASP A 20 -7.486 9.096 -2.266 1.00 0.53 N ATOM 532 CA ASP A 20 -8.259 10.163 -1.620 1.00 0.57 C ATOM 533 C ASP A 20 -7.391 11.381 -1.314 1.00 0.56 C ATOM 534 O ASP A 20 -7.766 12.516 -1.611 1.00 0.57 O ATOM 535 CB ASP A 20 -8.899 9.652 -0.325 1.00 0.63 C ATOM 536 CG ASP A 20 -9.671 10.732 0.409 1.00 0.80 C ATOM 537 OD1 ASP A 20 -10.850 10.965 0.066 1.00 1.06 O ATOM 538 OD2 ASP A 20 -9.113 11.352 1.341 1.00 0.98 O ATOM 0 H ASP A 20 -7.575 8.186 -1.814 1.00 0.53 H new ATOM 0 HA ASP A 20 -9.040 10.466 -2.318 1.00 0.57 H new ATOM 0 HB2 ASP A 20 -9.570 8.825 -0.557 1.00 0.63 H new ATOM 0 HB3 ASP A 20 -8.122 9.258 0.329 1.00 0.63 H new ATOM 543 N PHE A 21 -6.231 11.138 -0.725 1.00 0.57 N ATOM 544 CA PHE A 21 -5.295 12.204 -0.391 1.00 0.57 C ATOM 545 C PHE A 21 -4.837 12.965 -1.642 1.00 0.55 C ATOM 546 O PHE A 21 -5.090 14.161 -1.741 1.00 0.64 O ATOM 547 CB PHE A 21 -4.104 11.638 0.388 1.00 0.60 C ATOM 548 CG PHE A 21 -3.254 12.681 1.054 1.00 0.59 C ATOM 549 CD1 PHE A 21 -3.758 13.437 2.099 1.00 0.62 C ATOM 550 CD2 PHE A 21 -1.950 12.902 0.643 1.00 0.64 C ATOM 551 CE1 PHE A 21 -2.980 14.396 2.718 1.00 0.65 C ATOM 552 CE2 PHE A 21 -1.166 13.857 1.261 1.00 0.65 C ATOM 553 CZ PHE A 21 -1.682 14.604 2.299 1.00 0.63 C ATOM 0 H PHE A 21 -5.912 10.205 -0.466 1.00 0.57 H new ATOM 0 HA PHE A 21 -5.811 12.923 0.246 1.00 0.57 H new ATOM 0 HB2 PHE A 21 -4.475 10.949 1.147 1.00 0.60 H new ATOM 0 HB3 PHE A 21 -3.481 11.058 -0.293 1.00 0.60 H new ATOM 0 HD1 PHE A 21 -4.772 13.275 2.434 1.00 0.62 H new ATOM 0 HD2 PHE A 21 -1.541 12.321 -0.170 1.00 0.64 H new ATOM 0 HE1 PHE A 21 -3.387 14.982 3.529 1.00 0.65 H new ATOM 0 HE2 PHE A 21 -0.150 14.018 0.932 1.00 0.65 H new ATOM 0 HZ PHE A 21 -1.071 15.351 2.783 1.00 0.63 H new ATOM 563 N LEU A 22 -4.207 12.310 -2.603 1.00 0.56 N ATOM 564 CA LEU A 22 -3.732 13.034 -3.792 1.00 0.55 C ATOM 565 C LEU A 22 -4.869 13.378 -4.756 1.00 0.54 C ATOM 566 O LEU A 22 -4.643 14.047 -5.760 1.00 0.57 O ATOM 567 CB LEU A 22 -2.617 12.278 -4.516 1.00 0.56 C ATOM 568 CG LEU A 22 -1.232 12.388 -3.879 1.00 0.65 C ATOM 569 CD1 LEU A 22 -0.237 11.507 -4.615 1.00 1.04 C ATOM 570 CD2 LEU A 22 -0.764 13.838 -3.880 1.00 1.13 C ATOM 0 H LEU A 22 -4.012 11.309 -2.596 1.00 0.56 H new ATOM 0 HA LEU A 22 -3.316 13.974 -3.428 1.00 0.55 H new ATOM 0 HB2 LEU A 22 -2.891 11.224 -4.570 1.00 0.56 H new ATOM 0 HB3 LEU A 22 -2.558 12.645 -5.541 1.00 0.56 H new ATOM 0 HG LEU A 22 -1.296 12.045 -2.846 1.00 0.65 H new ATOM 0 HD11 LEU A 22 0.744 11.597 -4.148 1.00 1.04 H new ATOM 0 HD12 LEU A 22 -0.566 10.469 -4.569 1.00 1.04 H new ATOM 0 HD13 LEU A 22 -0.174 11.822 -5.657 1.00 1.04 H new ATOM 0 HD21 LEU A 22 0.224 13.902 -3.423 1.00 1.13 H new ATOM 0 HD22 LEU A 22 -0.714 14.203 -4.906 1.00 1.13 H new ATOM 0 HD23 LEU A 22 -1.467 14.447 -3.312 1.00 1.13 H new ATOM 582 N GLN A 23 -6.074 12.922 -4.472 1.00 0.52 N ATOM 583 CA GLN A 23 -7.259 13.483 -5.105 1.00 0.52 C ATOM 584 C GLN A 23 -7.475 14.916 -4.607 1.00 0.53 C ATOM 585 O GLN A 23 -7.898 15.796 -5.357 1.00 0.54 O ATOM 586 CB GLN A 23 -8.479 12.621 -4.772 1.00 0.53 C ATOM 587 CG GLN A 23 -9.708 12.932 -5.605 1.00 0.78 C ATOM 588 CD GLN A 23 -10.900 12.077 -5.218 1.00 1.38 C ATOM 589 OE1 GLN A 23 -11.060 11.698 -4.055 1.00 2.05 O ATOM 590 NE2 GLN A 23 -11.737 11.748 -6.190 1.00 2.06 N ATOM 0 H GLN A 23 -6.261 12.168 -3.811 1.00 0.52 H new ATOM 0 HA GLN A 23 -7.122 13.498 -6.186 1.00 0.52 H new ATOM 0 HB2 GLN A 23 -8.217 11.572 -4.910 1.00 0.53 H new ATOM 0 HB3 GLN A 23 -8.726 12.752 -3.718 1.00 0.53 H new ATOM 0 HG2 GLN A 23 -9.966 13.985 -5.488 1.00 0.78 H new ATOM 0 HG3 GLN A 23 -9.479 12.775 -6.659 1.00 0.78 H new ATOM 0 HE21 GLN A 23 -11.572 12.081 -7.140 1.00 2.06 H new ATOM 0 HE22 GLN A 23 -12.547 11.162 -5.989 1.00 2.06 H new ATOM 599 N ASN A 24 -7.166 15.126 -3.331 1.00 0.58 N ATOM 600 CA ASN A 24 -7.338 16.429 -2.688 1.00 0.65 C ATOM 601 C ASN A 24 -6.225 17.405 -3.054 1.00 0.60 C ATOM 602 O ASN A 24 -6.502 18.547 -3.432 1.00 0.63 O ATOM 603 CB ASN A 24 -7.416 16.277 -1.166 1.00 0.85 C ATOM 604 CG ASN A 24 -8.812 15.934 -0.683 1.00 1.10 C ATOM 605 OD1 ASN A 24 -9.607 16.821 -0.376 1.00 1.84 O ATOM 606 ND2 ASN A 24 -9.124 14.652 -0.612 1.00 1.21 N ATOM 0 H ASN A 24 -6.792 14.404 -2.715 1.00 0.58 H new ATOM 0 HA ASN A 24 -8.277 16.841 -3.058 1.00 0.65 H new ATOM 0 HB2 ASN A 24 -6.724 15.498 -0.847 1.00 0.85 H new ATOM 0 HB3 ASN A 24 -7.091 17.205 -0.695 1.00 0.85 H new ATOM 0 HD21 ASN A 24 -10.051 14.370 -0.294 1.00 1.21 H new ATOM 0 HD22 ASN A 24 -8.438 13.945 -0.875 1.00 1.21 H new ATOM 613 N LEU A 25 -4.972 16.970 -2.922 1.00 0.60 N ATOM 614 CA LEU A 25 -3.823 17.814 -3.240 1.00 0.65 C ATOM 615 C LEU A 25 -3.918 18.342 -4.667 1.00 0.64 C ATOM 616 O LEU A 25 -4.284 17.618 -5.593 1.00 0.64 O ATOM 617 CB LEU A 25 -2.510 17.047 -3.059 1.00 0.76 C ATOM 618 CG LEU A 25 -2.041 16.795 -1.621 1.00 0.59 C ATOM 619 CD1 LEU A 25 -1.668 18.092 -0.953 1.00 0.81 C ATOM 620 CD2 LEU A 25 -3.081 16.084 -0.790 1.00 1.05 C ATOM 0 H LEU A 25 -4.728 16.035 -2.596 1.00 0.60 H new ATOM 0 HA LEU A 25 -3.833 18.657 -2.549 1.00 0.65 H new ATOM 0 HB2 LEU A 25 -2.611 16.082 -3.556 1.00 0.76 H new ATOM 0 HB3 LEU A 25 -1.724 17.594 -3.580 1.00 0.76 H new ATOM 0 HG LEU A 25 -1.167 16.147 -1.687 1.00 0.59 H new ATOM 0 HD11 LEU A 25 -1.338 17.894 0.067 1.00 0.81 H new ATOM 0 HD12 LEU A 25 -0.861 18.569 -1.510 1.00 0.81 H new ATOM 0 HD13 LEU A 25 -2.535 18.753 -0.932 1.00 0.81 H new ATOM 0 HD21 LEU A 25 -2.698 15.930 0.219 1.00 1.05 H new ATOM 0 HD22 LEU A 25 -3.987 16.688 -0.746 1.00 1.05 H new ATOM 0 HD23 LEU A 25 -3.310 15.119 -1.242 1.00 1.05 H new ATOM 632 N SER A 26 -3.583 19.614 -4.832 1.00 0.73 N ATOM 633 CA SER A 26 -3.735 20.286 -6.110 1.00 0.83 C ATOM 634 C SER A 26 -2.398 20.835 -6.611 1.00 1.02 C ATOM 635 O SER A 26 -1.851 20.337 -7.598 1.00 1.78 O ATOM 636 CB SER A 26 -4.761 21.409 -5.979 1.00 0.93 C ATOM 637 OG SER A 26 -5.941 20.940 -5.344 1.00 1.72 O ATOM 0 H SER A 26 -3.202 20.202 -4.091 1.00 0.73 H new ATOM 0 HA SER A 26 -4.087 19.561 -6.843 1.00 0.83 H new ATOM 0 HB2 SER A 26 -4.335 22.232 -5.404 1.00 0.93 H new ATOM 0 HB3 SER A 26 -5.005 21.802 -6.966 1.00 0.93 H new ATOM 0 HG SER A 26 -6.585 21.674 -5.268 1.00 1.72 H new ATOM 643 N ASP A 27 -1.856 21.838 -5.920 1.00 0.96 N ATOM 644 CA ASP A 27 -0.606 22.466 -6.347 1.00 1.11 C ATOM 645 C ASP A 27 0.021 23.300 -5.227 1.00 1.13 C ATOM 646 O ASP A 27 1.189 23.105 -4.884 1.00 1.95 O ATOM 647 CB ASP A 27 -0.822 23.331 -7.604 1.00 1.42 C ATOM 648 CG ASP A 27 -1.726 24.528 -7.374 1.00 1.84 C ATOM 649 OD1 ASP A 27 -2.960 24.351 -7.308 1.00 2.19 O ATOM 650 OD2 ASP A 27 -1.207 25.659 -7.272 1.00 2.39 O ATOM 0 H ASP A 27 -2.259 22.230 -5.069 1.00 0.96 H new ATOM 0 HA ASP A 27 0.088 21.663 -6.594 1.00 1.11 H new ATOM 0 HB2 ASP A 27 0.145 23.682 -7.963 1.00 1.42 H new ATOM 0 HB3 ASP A 27 -1.249 22.711 -8.392 1.00 1.42 H new ATOM 655 N GLY A 28 -0.754 24.212 -4.644 1.00 0.93 N ATOM 656 CA GLY A 28 -0.237 25.061 -3.586 1.00 0.87 C ATOM 657 C GLY A 28 0.014 24.278 -2.319 1.00 0.75 C ATOM 658 O GLY A 28 0.914 24.590 -1.541 1.00 0.73 O ATOM 0 H GLY A 28 -1.731 24.377 -4.886 1.00 0.93 H new ATOM 0 HA2 GLY A 28 0.691 25.529 -3.915 1.00 0.87 H new ATOM 0 HA3 GLY A 28 -0.946 25.864 -3.384 1.00 0.87 H new ATOM 662 N ASP A 29 -0.788 23.250 -2.127 1.00 0.70 N ATOM 663 CA ASP A 29 -0.627 22.340 -1.011 1.00 0.67 C ATOM 664 C ASP A 29 0.592 21.448 -1.220 1.00 0.59 C ATOM 665 O ASP A 29 1.367 21.221 -0.302 1.00 0.60 O ATOM 666 CB ASP A 29 -1.893 21.494 -0.819 1.00 0.80 C ATOM 667 CG ASP A 29 -2.550 21.081 -2.129 1.00 1.47 C ATOM 668 OD1 ASP A 29 -1.844 20.924 -3.148 1.00 2.25 O ATOM 669 OD2 ASP A 29 -3.786 20.927 -2.149 1.00 1.74 O ATOM 0 H ASP A 29 -1.570 23.022 -2.741 1.00 0.70 H new ATOM 0 HA ASP A 29 -0.469 22.928 -0.107 1.00 0.67 H new ATOM 0 HB2 ASP A 29 -1.640 20.599 -0.250 1.00 0.80 H new ATOM 0 HB3 ASP A 29 -2.611 22.058 -0.223 1.00 0.80 H new ATOM 674 N LYS A 30 0.777 20.970 -2.439 1.00 0.63 N ATOM 675 CA LYS A 30 1.951 20.171 -2.781 1.00 0.65 C ATOM 676 C LYS A 30 3.233 20.977 -2.578 1.00 0.61 C ATOM 677 O LYS A 30 4.318 20.417 -2.412 1.00 0.65 O ATOM 678 CB LYS A 30 1.854 19.696 -4.227 1.00 0.78 C ATOM 679 CG LYS A 30 0.666 18.791 -4.486 1.00 0.92 C ATOM 680 CD LYS A 30 0.453 18.576 -5.971 1.00 0.89 C ATOM 681 CE LYS A 30 -0.707 17.638 -6.235 1.00 0.96 C ATOM 682 NZ LYS A 30 -1.086 17.635 -7.670 1.00 1.31 N ATOM 0 H LYS A 30 0.130 21.120 -3.213 1.00 0.63 H new ATOM 0 HA LYS A 30 1.983 19.304 -2.121 1.00 0.65 H new ATOM 0 HB2 LYS A 30 1.790 20.564 -4.883 1.00 0.78 H new ATOM 0 HB3 LYS A 30 2.769 19.165 -4.489 1.00 0.78 H new ATOM 0 HG2 LYS A 30 0.824 17.830 -3.996 1.00 0.92 H new ATOM 0 HG3 LYS A 30 -0.230 19.229 -4.047 1.00 0.92 H new ATOM 0 HD2 LYS A 30 0.265 19.534 -6.455 1.00 0.89 H new ATOM 0 HD3 LYS A 30 1.361 18.167 -6.415 1.00 0.89 H new ATOM 0 HE2 LYS A 30 -0.437 16.628 -5.926 1.00 0.96 H new ATOM 0 HE3 LYS A 30 -1.564 17.938 -5.632 1.00 0.96 H new ATOM 0 HZ1 LYS A 30 -1.813 16.910 -7.836 1.00 1.31 H new ATOM 0 HZ2 LYS A 30 -1.462 18.569 -7.932 1.00 1.31 H new ATOM 0 HZ3 LYS A 30 -0.249 17.424 -8.250 1.00 1.31 H new ATOM 696 N THR A 31 3.086 22.294 -2.564 1.00 0.60 N ATOM 697 CA THR A 31 4.205 23.196 -2.359 1.00 0.61 C ATOM 698 C THR A 31 4.749 23.076 -0.938 1.00 0.52 C ATOM 699 O THR A 31 5.938 23.284 -0.690 1.00 0.54 O ATOM 700 CB THR A 31 3.771 24.649 -2.606 1.00 0.68 C ATOM 701 OG1 THR A 31 3.209 24.772 -3.920 1.00 0.80 O ATOM 702 CG2 THR A 31 4.945 25.608 -2.460 1.00 0.76 C ATOM 0 H THR A 31 2.190 22.764 -2.694 1.00 0.60 H new ATOM 0 HA THR A 31 4.988 22.920 -3.066 1.00 0.61 H new ATOM 0 HB THR A 31 3.021 24.910 -1.859 1.00 0.68 H new ATOM 0 HG1 THR A 31 2.436 24.175 -4.003 1.00 0.80 H new ATOM 0 HG21 THR A 31 4.606 26.628 -2.641 1.00 0.76 H new ATOM 0 HG22 THR A 31 5.352 25.534 -1.452 1.00 0.76 H new ATOM 0 HG23 THR A 31 5.718 25.349 -3.183 1.00 0.76 H new ATOM 710 N VAL A 32 3.876 22.741 -0.003 1.00 0.50 N ATOM 711 CA VAL A 32 4.273 22.639 1.382 1.00 0.50 C ATOM 712 C VAL A 32 4.726 21.213 1.714 1.00 0.47 C ATOM 713 O VAL A 32 5.600 21.023 2.558 1.00 0.48 O ATOM 714 CB VAL A 32 3.146 23.113 2.330 1.00 0.57 C ATOM 715 CG1 VAL A 32 1.978 22.152 2.347 1.00 0.60 C ATOM 716 CG2 VAL A 32 3.681 23.332 3.727 1.00 0.85 C ATOM 0 H VAL A 32 2.893 22.537 -0.181 1.00 0.50 H new ATOM 0 HA VAL A 32 5.123 23.304 1.538 1.00 0.50 H new ATOM 0 HB VAL A 32 2.776 24.063 1.945 1.00 0.57 H new ATOM 0 HG11 VAL A 32 1.210 22.524 3.026 1.00 0.60 H new ATOM 0 HG12 VAL A 32 1.563 22.065 1.343 1.00 0.60 H new ATOM 0 HG13 VAL A 32 2.317 21.173 2.685 1.00 0.60 H new ATOM 0 HG21 VAL A 32 2.873 23.665 4.378 1.00 0.85 H new ATOM 0 HG22 VAL A 32 4.093 22.398 4.109 1.00 0.85 H new ATOM 0 HG23 VAL A 32 4.463 24.091 3.702 1.00 0.85 H new ATOM 720 N LEU A 33 4.161 20.217 1.027 1.00 0.48 N ATOM 721 CA LEU A 33 4.615 18.830 1.160 1.00 0.49 C ATOM 722 C LEU A 33 6.121 18.720 0.908 1.00 0.50 C ATOM 723 O LEU A 33 6.830 18.067 1.666 1.00 0.54 O ATOM 724 CB LEU A 33 3.880 17.921 0.156 1.00 0.53 C ATOM 725 CG LEU A 33 2.528 17.322 0.585 1.00 0.58 C ATOM 726 CD1 LEU A 33 2.684 16.458 1.817 1.00 0.98 C ATOM 727 CD2 LEU A 33 1.467 18.386 0.807 1.00 0.74 C ATOM 0 H LEU A 33 3.389 20.345 0.373 1.00 0.48 H new ATOM 0 HA LEU A 33 4.394 18.510 2.178 1.00 0.49 H new ATOM 0 HB2 LEU A 33 3.718 18.493 -0.757 1.00 0.53 H new ATOM 0 HB3 LEU A 33 4.546 17.096 -0.099 1.00 0.53 H new ATOM 0 HG LEU A 33 2.186 16.696 -0.239 1.00 0.58 H new ATOM 0 HD11 LEU A 33 1.714 16.047 2.099 1.00 0.98 H new ATOM 0 HD12 LEU A 33 3.375 15.643 1.604 1.00 0.98 H new ATOM 0 HD13 LEU A 33 3.075 17.061 2.637 1.00 0.98 H new ATOM 0 HD21 LEU A 33 0.533 17.911 1.108 1.00 0.74 H new ATOM 0 HD22 LEU A 33 1.795 19.069 1.590 1.00 0.74 H new ATOM 0 HD23 LEU A 33 1.310 18.942 -0.117 1.00 0.74 H new ATOM 739 N LYS A 34 6.613 19.361 -0.151 1.00 0.51 N ATOM 740 CA LYS A 34 8.040 19.283 -0.473 1.00 0.56 C ATOM 741 C LYS A 34 8.889 19.825 0.674 1.00 0.53 C ATOM 742 O LYS A 34 10.033 19.418 0.858 1.00 0.59 O ATOM 743 CB LYS A 34 8.377 20.033 -1.768 1.00 0.65 C ATOM 744 CG LYS A 34 8.060 21.517 -1.733 1.00 0.93 C ATOM 745 CD LYS A 34 8.736 22.260 -2.874 1.00 0.89 C ATOM 746 CE LYS A 34 8.334 23.729 -2.909 1.00 1.70 C ATOM 747 NZ LYS A 34 8.465 24.379 -1.579 1.00 2.41 N ATOM 0 H LYS A 34 6.059 19.930 -0.791 1.00 0.51 H new ATOM 0 HA LYS A 34 8.273 18.229 -0.622 1.00 0.56 H new ATOM 0 HB2 LYS A 34 9.438 19.905 -1.982 1.00 0.65 H new ATOM 0 HB3 LYS A 34 7.829 19.576 -2.592 1.00 0.65 H new ATOM 0 HG2 LYS A 34 6.981 21.661 -1.793 1.00 0.93 H new ATOM 0 HG3 LYS A 34 8.385 21.937 -0.781 1.00 0.93 H new ATOM 0 HD2 LYS A 34 9.818 22.182 -2.768 1.00 0.89 H new ATOM 0 HD3 LYS A 34 8.473 21.789 -3.821 1.00 0.89 H new ATOM 0 HE2 LYS A 34 8.956 24.257 -3.632 1.00 1.70 H new ATOM 0 HE3 LYS A 34 7.303 23.814 -3.253 1.00 1.70 H new ATOM 0 HZ1 LYS A 34 8.499 25.411 -1.699 1.00 2.41 H new ATOM 0 HZ2 LYS A 34 7.648 24.126 -0.987 1.00 2.41 H new ATOM 0 HZ3 LYS A 34 9.340 24.055 -1.119 1.00 2.41 H new ATOM 761 N GLU A 35 8.320 20.731 1.452 1.00 0.47 N ATOM 762 CA GLU A 35 9.022 21.308 2.583 1.00 0.47 C ATOM 763 C GLU A 35 9.022 20.341 3.758 1.00 0.46 C ATOM 764 O GLU A 35 10.019 20.212 4.468 1.00 0.57 O ATOM 765 CB GLU A 35 8.381 22.629 2.993 1.00 0.47 C ATOM 766 CG GLU A 35 8.376 23.671 1.891 1.00 0.61 C ATOM 767 CD GLU A 35 9.761 23.952 1.339 1.00 1.26 C ATOM 768 OE1 GLU A 35 10.490 24.779 1.930 1.00 1.47 O ATOM 769 OE2 GLU A 35 10.120 23.360 0.301 1.00 1.96 O ATOM 0 H GLU A 35 7.372 21.082 1.319 1.00 0.47 H new ATOM 0 HA GLU A 35 10.053 21.498 2.285 1.00 0.47 H new ATOM 0 HB2 GLU A 35 7.355 22.442 3.309 1.00 0.47 H new ATOM 0 HB3 GLU A 35 8.913 23.028 3.856 1.00 0.47 H new ATOM 0 HG2 GLU A 35 7.729 23.333 1.081 1.00 0.61 H new ATOM 0 HG3 GLU A 35 7.949 24.597 2.275 1.00 0.61 H new ATOM 776 N VAL A 36 7.900 19.654 3.954 1.00 0.41 N ATOM 777 CA VAL A 36 7.779 18.695 5.029 1.00 0.42 C ATOM 778 C VAL A 36 8.655 17.466 4.745 1.00 0.50 C ATOM 779 O VAL A 36 9.269 16.907 5.647 1.00 0.62 O ATOM 780 CB VAL A 36 6.292 18.305 5.259 1.00 0.43 C ATOM 781 CG1 VAL A 36 5.388 19.521 5.171 1.00 0.98 C ATOM 782 CG2 VAL A 36 5.812 17.205 4.330 1.00 0.74 C ATOM 0 H VAL A 36 7.064 19.749 3.377 1.00 0.41 H new ATOM 0 HA VAL A 36 8.136 19.153 5.951 1.00 0.42 H new ATOM 0 HB VAL A 36 6.237 17.901 6.270 1.00 0.43 H new ATOM 0 HG11 VAL A 36 4.354 19.218 5.336 1.00 0.98 H new ATOM 0 HG12 VAL A 36 5.679 20.247 5.930 1.00 0.98 H new ATOM 0 HG13 VAL A 36 5.481 19.973 4.183 1.00 0.98 H new ATOM 0 HG21 VAL A 36 4.767 16.980 4.542 1.00 0.74 H new ATOM 0 HG22 VAL A 36 5.910 17.534 3.295 1.00 0.74 H new ATOM 0 HG23 VAL A 36 6.414 16.310 4.484 1.00 0.74 H new ATOM 786 N PHE A 37 8.714 17.077 3.473 1.00 0.49 N ATOM 787 CA PHE A 37 9.597 16.024 2.994 1.00 0.54 C ATOM 788 C PHE A 37 11.075 16.372 3.058 1.00 0.59 C ATOM 789 O PHE A 37 11.894 15.515 3.385 1.00 0.66 O ATOM 790 CB PHE A 37 9.200 15.668 1.570 1.00 0.57 C ATOM 791 CG PHE A 37 8.074 14.679 1.588 1.00 0.57 C ATOM 792 CD1 PHE A 37 8.316 13.357 1.929 1.00 0.66 C ATOM 793 CD2 PHE A 37 6.778 15.067 1.317 1.00 0.74 C ATOM 794 CE1 PHE A 37 7.283 12.444 1.995 1.00 0.68 C ATOM 795 CE2 PHE A 37 5.742 14.157 1.374 1.00 0.83 C ATOM 796 CZ PHE A 37 5.994 12.844 1.716 1.00 0.71 C ATOM 0 H PHE A 37 8.141 17.492 2.739 1.00 0.49 H new ATOM 0 HA PHE A 37 9.473 15.173 3.664 1.00 0.54 H new ATOM 0 HB2 PHE A 37 8.898 16.566 1.032 1.00 0.57 H new ATOM 0 HB3 PHE A 37 10.055 15.250 1.038 1.00 0.57 H new ATOM 0 HD1 PHE A 37 9.325 13.038 2.146 1.00 0.66 H new ATOM 0 HD2 PHE A 37 6.572 16.095 1.057 1.00 0.74 H new ATOM 0 HE1 PHE A 37 7.484 11.418 2.265 1.00 0.68 H new ATOM 0 HE2 PHE A 37 4.734 14.473 1.151 1.00 0.83 H new ATOM 0 HZ PHE A 37 5.183 12.132 1.765 1.00 0.71 H new ATOM 806 N LYS A 38 11.442 17.614 2.765 1.00 0.60 N ATOM 807 CA LYS A 38 12.855 17.973 2.790 1.00 0.69 C ATOM 808 C LYS A 38 13.280 18.351 4.206 1.00 0.78 C ATOM 809 O LYS A 38 14.320 18.970 4.422 1.00 1.02 O ATOM 810 CB LYS A 38 13.177 19.096 1.800 1.00 0.75 C ATOM 811 CG LYS A 38 13.095 18.666 0.339 1.00 0.76 C ATOM 812 CD LYS A 38 13.517 19.779 -0.617 1.00 0.91 C ATOM 813 CE LYS A 38 12.395 20.779 -0.888 1.00 1.37 C ATOM 814 NZ LYS A 38 11.960 21.500 0.336 1.00 2.18 N ATOM 0 H LYS A 38 10.804 18.369 2.515 1.00 0.60 H new ATOM 0 HA LYS A 38 13.426 17.099 2.476 1.00 0.69 H new ATOM 0 HB2 LYS A 38 12.487 19.923 1.965 1.00 0.75 H new ATOM 0 HB3 LYS A 38 14.180 19.472 2.004 1.00 0.75 H new ATOM 0 HG2 LYS A 38 13.731 17.795 0.183 1.00 0.76 H new ATOM 0 HG3 LYS A 38 12.074 18.360 0.109 1.00 0.76 H new ATOM 0 HD2 LYS A 38 14.375 20.306 -0.199 1.00 0.91 H new ATOM 0 HD3 LYS A 38 13.842 19.339 -1.560 1.00 0.91 H new ATOM 0 HE2 LYS A 38 12.731 21.503 -1.631 1.00 1.37 H new ATOM 0 HE3 LYS A 38 11.542 20.254 -1.318 1.00 1.37 H new ATOM 0 HZ1 LYS A 38 11.495 22.391 0.067 1.00 2.18 H new ATOM 0 HZ2 LYS A 38 11.292 20.907 0.869 1.00 2.18 H new ATOM 0 HZ3 LYS A 38 12.788 21.707 0.930 1.00 2.18 H new ATOM 828 N ALA A 39 12.455 17.964 5.166 1.00 0.71 N ATOM 829 CA ALA A 39 12.766 18.133 6.572 1.00 0.87 C ATOM 830 C ALA A 39 12.938 16.768 7.223 1.00 0.82 C ATOM 831 O ALA A 39 12.996 16.648 8.447 1.00 1.56 O ATOM 832 CB ALA A 39 11.677 18.934 7.269 1.00 1.06 C ATOM 0 H ALA A 39 11.552 17.524 4.990 1.00 0.71 H new ATOM 0 HA ALA A 39 13.699 18.688 6.668 1.00 0.87 H new ATOM 0 HB1 ALA A 39 11.929 19.050 8.323 1.00 1.06 H new ATOM 0 HB2 ALA A 39 11.595 19.917 6.805 1.00 1.06 H new ATOM 0 HB3 ALA A 39 10.726 18.410 7.179 1.00 1.06 H new ATOM 838 N GLY A 40 13.017 15.740 6.385 1.00 0.78 N ATOM 839 CA GLY A 40 13.247 14.396 6.869 1.00 1.03 C ATOM 840 C GLY A 40 14.725 14.105 7.046 1.00 1.29 C ATOM 841 O GLY A 40 15.530 15.037 7.134 1.00 1.54 O ATOM 0 H GLY A 40 12.925 15.817 5.372 1.00 0.78 H new ATOM 0 HA2 GLY A 40 12.733 14.260 7.821 1.00 1.03 H new ATOM 0 HA3 GLY A 40 12.817 13.679 6.169 1.00 1.03 H new ATOM 845 N PRO A 41 15.129 12.828 7.088 1.00 1.37 N ATOM 846 CA PRO A 41 14.224 11.684 6.943 1.00 1.22 C ATOM 847 C PRO A 41 13.428 11.394 8.212 1.00 1.09 C ATOM 848 O PRO A 41 13.801 11.817 9.309 1.00 1.18 O ATOM 849 CB PRO A 41 15.177 10.534 6.641 1.00 1.37 C ATOM 850 CG PRO A 41 16.431 10.893 7.350 1.00 1.60 C ATOM 851 CD PRO A 41 16.525 12.392 7.289 1.00 1.68 C ATOM 0 HA PRO A 41 13.469 11.856 6.176 1.00 1.22 H new ATOM 0 HB2 PRO A 41 14.778 9.584 6.997 1.00 1.37 H new ATOM 0 HB3 PRO A 41 15.344 10.428 5.569 1.00 1.37 H new ATOM 0 HG2 PRO A 41 16.409 10.545 8.383 1.00 1.60 H new ATOM 0 HG3 PRO A 41 17.295 10.428 6.875 1.00 1.60 H new ATOM 0 HD2 PRO A 41 16.944 12.804 8.207 1.00 1.68 H new ATOM 0 HD3 PRO A 41 17.167 12.719 6.471 1.00 1.68 H new ATOM 859 N TYR A 42 12.331 10.677 8.047 1.00 0.99 N ATOM 860 CA TYR A 42 11.448 10.337 9.150 1.00 0.92 C ATOM 861 C TYR A 42 11.416 8.833 9.348 1.00 0.97 C ATOM 862 O TYR A 42 11.414 8.066 8.386 1.00 1.08 O ATOM 863 CB TYR A 42 10.041 10.863 8.871 1.00 0.85 C ATOM 864 CG TYR A 42 9.982 12.366 8.726 1.00 0.87 C ATOM 865 CD1 TYR A 42 10.309 13.195 9.791 1.00 0.90 C ATOM 866 CD2 TYR A 42 9.599 12.954 7.529 1.00 0.99 C ATOM 867 CE1 TYR A 42 10.254 14.568 9.668 1.00 1.02 C ATOM 868 CE2 TYR A 42 9.543 14.327 7.397 1.00 1.10 C ATOM 869 CZ TYR A 42 9.871 15.128 8.470 1.00 1.12 C ATOM 870 OH TYR A 42 9.822 16.497 8.342 1.00 1.28 O ATOM 0 H TYR A 42 12.026 10.313 7.144 1.00 0.99 H new ATOM 0 HA TYR A 42 11.824 10.801 10.062 1.00 0.92 H new ATOM 0 HB2 TYR A 42 9.663 10.402 7.959 1.00 0.85 H new ATOM 0 HB3 TYR A 42 9.379 10.557 9.681 1.00 0.85 H new ATOM 0 HD1 TYR A 42 10.611 12.758 10.731 1.00 0.90 H new ATOM 0 HD2 TYR A 42 9.341 12.328 6.688 1.00 0.99 H new ATOM 0 HE1 TYR A 42 10.510 15.199 10.506 1.00 1.02 H new ATOM 0 HE2 TYR A 42 9.244 14.771 6.459 1.00 1.10 H new ATOM 0 HH TYR A 42 9.504 16.731 7.445 1.00 1.28 H new ATOM 880 N LYS A 43 11.390 8.422 10.604 1.00 0.96 N ATOM 881 CA LYS A 43 11.385 7.010 10.956 1.00 1.01 C ATOM 882 C LYS A 43 10.002 6.413 10.726 1.00 0.98 C ATOM 883 O LYS A 43 9.829 5.194 10.703 1.00 1.06 O ATOM 884 CB LYS A 43 11.810 6.843 12.419 1.00 1.10 C ATOM 885 CG LYS A 43 11.993 5.397 12.855 1.00 1.72 C ATOM 886 CD LYS A 43 12.506 5.304 14.284 1.00 2.26 C ATOM 887 CE LYS A 43 13.892 5.913 14.423 1.00 2.94 C ATOM 888 NZ LYS A 43 14.388 5.843 15.820 1.00 3.51 N ATOM 0 H LYS A 43 11.372 9.053 11.406 1.00 0.96 H new ATOM 0 HA LYS A 43 12.094 6.479 10.321 1.00 1.01 H new ATOM 0 HB2 LYS A 43 12.746 7.379 12.577 1.00 1.10 H new ATOM 0 HB3 LYS A 43 11.062 7.311 13.059 1.00 1.10 H new ATOM 0 HG2 LYS A 43 11.043 4.869 12.774 1.00 1.72 H new ATOM 0 HG3 LYS A 43 12.693 4.900 12.183 1.00 1.72 H new ATOM 0 HD2 LYS A 43 11.814 5.816 14.953 1.00 2.26 H new ATOM 0 HD3 LYS A 43 12.535 4.259 14.593 1.00 2.26 H new ATOM 0 HE2 LYS A 43 14.586 5.391 13.764 1.00 2.94 H new ATOM 0 HE3 LYS A 43 13.866 6.953 14.098 1.00 2.94 H new ATOM 0 HZ1 LYS A 43 15.336 6.268 15.874 1.00 3.51 H new ATOM 0 HZ2 LYS A 43 13.739 6.363 16.445 1.00 3.51 H new ATOM 0 HZ3 LYS A 43 14.437 4.849 16.122 1.00 3.51 H new ATOM 902 N ASN A 44 9.021 7.277 10.525 1.00 0.88 N ATOM 903 CA ASN A 44 7.650 6.847 10.297 1.00 0.85 C ATOM 904 C ASN A 44 6.867 7.938 9.582 1.00 0.80 C ATOM 905 O ASN A 44 7.302 9.090 9.539 1.00 0.85 O ATOM 906 CB ASN A 44 6.959 6.493 11.623 1.00 0.89 C ATOM 907 CG ASN A 44 7.218 7.512 12.727 1.00 0.95 C ATOM 908 OD1 ASN A 44 7.523 8.746 12.350 1.00 1.52 O flip ATOM 909 ND2 ASN A 44 7.159 7.185 13.910 1.00 1.10 N flip ATOM 0 H ASN A 44 9.150 8.289 10.515 1.00 0.88 H new ATOM 0 HA ASN A 44 7.675 5.955 9.670 1.00 0.85 H new ATOM 0 HB2 ASN A 44 5.885 6.414 11.455 1.00 0.89 H new ATOM 0 HB3 ASN A 44 7.303 5.513 11.954 1.00 0.89 H new ATOM 0 HD21 ASN A 44 6.921 6.226 14.163 1.00 1.10 H new ATOM 0 HD22 ASN A 44 7.348 7.873 14.639 1.00 1.10 H new ATOM 916 N THR A 45 5.707 7.583 9.051 1.00 0.77 N ATOM 917 CA THR A 45 4.852 8.537 8.361 1.00 0.76 C ATOM 918 C THR A 45 4.324 9.592 9.338 1.00 0.74 C ATOM 919 O THR A 45 4.090 10.742 8.967 1.00 0.92 O ATOM 920 CB THR A 45 3.663 7.815 7.698 1.00 0.84 C ATOM 921 OG1 THR A 45 4.132 6.653 6.995 1.00 1.05 O ATOM 922 CG2 THR A 45 2.934 8.733 6.727 1.00 1.18 C ATOM 0 H THR A 45 5.334 6.634 9.085 1.00 0.77 H new ATOM 0 HA THR A 45 5.448 9.028 7.592 1.00 0.76 H new ATOM 0 HB THR A 45 2.966 7.519 8.482 1.00 0.84 H new ATOM 0 HG1 THR A 45 3.373 6.196 6.576 1.00 1.05 H new ATOM 0 HG21 THR A 45 2.100 8.196 6.275 1.00 1.18 H new ATOM 0 HG22 THR A 45 2.557 9.604 7.263 1.00 1.18 H new ATOM 0 HG23 THR A 45 3.622 9.058 5.947 1.00 1.18 H new ATOM 930 N GLU A 46 4.165 9.181 10.589 1.00 0.72 N ATOM 931 CA GLU A 46 3.633 10.035 11.647 1.00 0.71 C ATOM 932 C GLU A 46 4.408 11.347 11.771 1.00 0.66 C ATOM 933 O GLU A 46 3.814 12.416 11.922 1.00 0.65 O ATOM 934 CB GLU A 46 3.650 9.288 12.980 1.00 0.79 C ATOM 935 CG GLU A 46 2.739 8.068 13.011 1.00 1.41 C ATOM 936 CD GLU A 46 3.335 6.853 12.325 1.00 1.82 C ATOM 937 OE1 GLU A 46 3.228 6.745 11.086 1.00 2.12 O ATOM 938 OE2 GLU A 46 3.897 5.986 13.023 1.00 2.24 O ATOM 0 H GLU A 46 4.403 8.240 10.902 1.00 0.72 H new ATOM 0 HA GLU A 46 2.606 10.286 11.381 1.00 0.71 H new ATOM 0 HB2 GLU A 46 4.671 8.973 13.197 1.00 0.79 H new ATOM 0 HB3 GLU A 46 3.352 9.973 13.774 1.00 0.79 H new ATOM 0 HG2 GLU A 46 2.515 7.817 14.048 1.00 1.41 H new ATOM 0 HG3 GLU A 46 1.792 8.318 12.532 1.00 1.41 H new ATOM 945 N GLU A 47 5.730 11.261 11.697 1.00 0.67 N ATOM 946 CA GLU A 47 6.585 12.442 11.762 1.00 0.67 C ATOM 947 C GLU A 47 6.334 13.371 10.572 1.00 0.60 C ATOM 948 O GLU A 47 6.424 14.592 10.695 1.00 0.58 O ATOM 949 CB GLU A 47 8.058 12.032 11.819 1.00 0.73 C ATOM 950 CG GLU A 47 8.533 11.638 13.206 1.00 0.98 C ATOM 951 CD GLU A 47 9.934 11.057 13.203 1.00 1.64 C ATOM 952 OE1 GLU A 47 10.105 9.911 12.733 1.00 2.26 O ATOM 953 OE2 GLU A 47 10.868 11.738 13.678 1.00 2.03 O ATOM 0 H GLU A 47 6.236 10.382 11.591 1.00 0.67 H new ATOM 0 HA GLU A 47 6.338 12.988 12.673 1.00 0.67 H new ATOM 0 HB2 GLU A 47 8.219 11.195 11.139 1.00 0.73 H new ATOM 0 HB3 GLU A 47 8.669 12.859 11.457 1.00 0.73 H new ATOM 0 HG2 GLU A 47 8.508 12.513 13.856 1.00 0.98 H new ATOM 0 HG3 GLU A 47 7.842 10.908 13.628 1.00 0.98 H new ATOM 960 N SER A 48 6.006 12.791 9.425 1.00 0.58 N ATOM 961 CA SER A 48 5.689 13.578 8.242 1.00 0.54 C ATOM 962 C SER A 48 4.316 14.228 8.404 1.00 0.51 C ATOM 963 O SER A 48 4.074 15.328 7.909 1.00 0.49 O ATOM 964 CB SER A 48 5.724 12.698 6.987 1.00 0.57 C ATOM 965 OG SER A 48 5.545 13.468 5.809 1.00 1.19 O ATOM 0 H SER A 48 5.953 11.781 9.289 1.00 0.58 H new ATOM 0 HA SER A 48 6.438 14.362 8.128 1.00 0.54 H new ATOM 0 HB2 SER A 48 6.677 12.170 6.937 1.00 0.57 H new ATOM 0 HB3 SER A 48 4.943 11.940 7.050 1.00 0.57 H new ATOM 0 HG SER A 48 5.574 12.879 5.026 1.00 1.19 H new ATOM 971 N ILE A 49 3.426 13.538 9.112 1.00 0.51 N ATOM 972 CA ILE A 49 2.112 14.079 9.435 1.00 0.49 C ATOM 973 C ILE A 49 2.269 15.291 10.342 1.00 0.49 C ATOM 974 O ILE A 49 1.593 16.307 10.178 1.00 0.47 O ATOM 975 CB ILE A 49 1.228 13.018 10.132 1.00 0.51 C ATOM 976 CG1 ILE A 49 0.997 11.827 9.198 1.00 0.52 C ATOM 977 CG2 ILE A 49 -0.100 13.623 10.569 1.00 0.50 C ATOM 978 CD1 ILE A 49 0.154 10.727 9.807 1.00 0.55 C ATOM 0 H ILE A 49 3.593 12.599 9.474 1.00 0.51 H new ATOM 0 HA ILE A 49 1.624 14.373 8.506 1.00 0.49 H new ATOM 0 HB ILE A 49 1.748 12.666 11.023 1.00 0.51 H new ATOM 0 HG12 ILE A 49 0.514 12.180 8.287 1.00 0.52 H new ATOM 0 HG13 ILE A 49 1.962 11.413 8.907 1.00 0.52 H new ATOM 0 HG21 ILE A 49 -0.705 12.859 11.057 1.00 0.50 H new ATOM 0 HG22 ILE A 49 0.084 14.440 11.267 1.00 0.50 H new ATOM 0 HG23 ILE A 49 -0.631 14.004 9.697 1.00 0.50 H new ATOM 0 HD11 ILE A 49 0.035 9.919 9.086 1.00 0.55 H new ATOM 0 HD12 ILE A 49 0.645 10.345 10.702 1.00 0.55 H new ATOM 0 HD13 ILE A 49 -0.826 11.124 10.072 1.00 0.55 H new ATOM 985 N ALA A 50 3.191 15.170 11.284 1.00 0.52 N ATOM 986 CA ALA A 50 3.537 16.258 12.185 1.00 0.53 C ATOM 987 C ALA A 50 4.089 17.448 11.412 1.00 0.50 C ATOM 988 O ALA A 50 3.700 18.594 11.654 1.00 0.50 O ATOM 989 CB ALA A 50 4.557 15.770 13.191 1.00 0.57 C ATOM 0 H ALA A 50 3.721 14.314 11.446 1.00 0.52 H new ATOM 0 HA ALA A 50 2.637 16.584 12.706 1.00 0.53 H new ATOM 0 HB1 ALA A 50 4.818 16.583 13.868 1.00 0.57 H new ATOM 0 HB2 ALA A 50 4.137 14.943 13.763 1.00 0.57 H new ATOM 0 HB3 ALA A 50 5.451 15.432 12.668 1.00 0.57 H new ATOM 995 N ALA A 51 5.002 17.170 10.485 1.00 0.49 N ATOM 996 CA ALA A 51 5.574 18.200 9.629 1.00 0.48 C ATOM 997 C ALA A 51 4.485 18.941 8.866 1.00 0.45 C ATOM 998 O ALA A 51 4.544 20.163 8.704 1.00 0.47 O ATOM 999 CB ALA A 51 6.579 17.591 8.661 1.00 0.50 C ATOM 0 H ALA A 51 5.362 16.232 10.308 1.00 0.49 H new ATOM 0 HA ALA A 51 6.092 18.918 10.265 1.00 0.48 H new ATOM 0 HB1 ALA A 51 6.997 18.375 8.029 1.00 0.50 H new ATOM 0 HB2 ALA A 51 7.381 17.112 9.223 1.00 0.50 H new ATOM 0 HB3 ALA A 51 6.080 16.849 8.037 1.00 0.50 H new ATOM 1005 N LEU A 52 3.484 18.196 8.419 1.00 0.42 N ATOM 1006 CA LEU A 52 2.359 18.777 7.698 1.00 0.40 C ATOM 1007 C LEU A 52 1.469 19.589 8.620 1.00 0.39 C ATOM 1008 O LEU A 52 1.047 20.677 8.256 1.00 0.40 O ATOM 1009 CB LEU A 52 1.536 17.696 6.999 1.00 0.40 C ATOM 1010 CG LEU A 52 2.008 17.317 5.601 1.00 0.41 C ATOM 1011 CD1 LEU A 52 1.300 16.057 5.132 1.00 0.45 C ATOM 1012 CD2 LEU A 52 1.746 18.463 4.636 1.00 0.41 C ATOM 0 H LEU A 52 3.428 17.185 8.543 1.00 0.42 H new ATOM 0 HA LEU A 52 2.772 19.445 6.943 1.00 0.40 H new ATOM 0 HB2 LEU A 52 1.541 16.801 7.621 1.00 0.40 H new ATOM 0 HB3 LEU A 52 0.502 18.035 6.936 1.00 0.40 H new ATOM 0 HG LEU A 52 3.080 17.121 5.630 1.00 0.41 H new ATOM 0 HD11 LEU A 52 1.646 15.796 4.132 1.00 0.45 H new ATOM 0 HD12 LEU A 52 1.521 15.239 5.817 1.00 0.45 H new ATOM 0 HD13 LEU A 52 0.224 16.231 5.110 1.00 0.45 H new ATOM 0 HD21 LEU A 52 2.086 18.184 3.639 1.00 0.41 H new ATOM 0 HD22 LEU A 52 0.678 18.678 4.608 1.00 0.41 H new ATOM 0 HD23 LEU A 52 2.286 19.350 4.969 1.00 0.41 H new ATOM 1024 N LYS A 53 1.203 19.082 9.809 1.00 0.39 N ATOM 1025 CA LYS A 53 0.322 19.774 10.745 1.00 0.39 C ATOM 1026 C LYS A 53 0.877 21.148 11.123 1.00 0.40 C ATOM 1027 O LYS A 53 0.123 22.098 11.332 1.00 0.45 O ATOM 1028 CB LYS A 53 0.113 18.935 12.000 1.00 0.41 C ATOM 1029 CG LYS A 53 -0.792 17.735 11.790 1.00 0.42 C ATOM 1030 CD LYS A 53 -0.915 16.924 13.063 1.00 0.52 C ATOM 1031 CE LYS A 53 -1.950 15.824 12.937 1.00 0.52 C ATOM 1032 NZ LYS A 53 -2.033 15.011 14.177 1.00 1.22 N ATOM 0 H LYS A 53 1.579 18.199 10.153 1.00 0.39 H new ATOM 0 HA LYS A 53 -0.637 19.920 10.248 1.00 0.39 H new ATOM 0 HB2 LYS A 53 1.082 18.589 12.360 1.00 0.41 H new ATOM 0 HB3 LYS A 53 -0.311 19.566 12.781 1.00 0.41 H new ATOM 0 HG2 LYS A 53 -1.779 18.070 11.470 1.00 0.42 H new ATOM 0 HG3 LYS A 53 -0.394 17.109 10.992 1.00 0.42 H new ATOM 0 HD2 LYS A 53 0.052 16.485 13.308 1.00 0.52 H new ATOM 0 HD3 LYS A 53 -1.185 17.583 13.888 1.00 0.52 H new ATOM 0 HE2 LYS A 53 -2.924 16.263 12.722 1.00 0.52 H new ATOM 0 HE3 LYS A 53 -1.698 15.180 12.095 1.00 0.52 H new ATOM 0 HZ1 LYS A 53 -2.887 14.418 14.147 1.00 1.22 H new ATOM 0 HZ2 LYS A 53 -1.192 14.404 14.251 1.00 1.22 H new ATOM 0 HZ3 LYS A 53 -2.078 15.641 15.003 1.00 1.22 H new ATOM 1046 N LYS A 54 2.198 21.240 11.207 1.00 0.39 N ATOM 1047 CA LYS A 54 2.866 22.482 11.578 1.00 0.41 C ATOM 1048 C LYS A 54 2.834 23.503 10.438 1.00 0.41 C ATOM 1049 O LYS A 54 2.671 24.701 10.671 1.00 0.47 O ATOM 1050 CB LYS A 54 4.313 22.195 11.986 1.00 0.44 C ATOM 1051 CG LYS A 54 5.099 23.433 12.383 1.00 1.24 C ATOM 1052 CD LYS A 54 6.528 23.085 12.767 1.00 1.63 C ATOM 1053 CE LYS A 54 7.324 24.326 13.139 1.00 2.24 C ATOM 1054 NZ LYS A 54 7.462 25.266 11.995 1.00 3.05 N ATOM 0 H LYS A 54 2.833 20.463 11.022 1.00 0.39 H new ATOM 0 HA LYS A 54 2.328 22.911 12.423 1.00 0.41 H new ATOM 0 HB2 LYS A 54 4.312 21.494 12.821 1.00 0.44 H new ATOM 0 HB3 LYS A 54 4.823 21.703 11.157 1.00 0.44 H new ATOM 0 HG2 LYS A 54 5.106 24.142 11.555 1.00 1.24 H new ATOM 0 HG3 LYS A 54 4.606 23.926 13.221 1.00 1.24 H new ATOM 0 HD2 LYS A 54 6.521 22.391 13.607 1.00 1.63 H new ATOM 0 HD3 LYS A 54 7.015 22.575 11.936 1.00 1.63 H new ATOM 0 HE2 LYS A 54 6.834 24.835 13.969 1.00 2.24 H new ATOM 0 HE3 LYS A 54 8.314 24.031 13.486 1.00 2.24 H new ATOM 0 HZ1 LYS A 54 8.184 25.980 12.218 1.00 3.05 H new ATOM 0 HZ2 LYS A 54 7.747 24.739 11.145 1.00 3.05 H new ATOM 0 HZ3 LYS A 54 6.551 25.737 11.821 1.00 3.05 H new ATOM 1068 N LYS A 55 2.990 23.035 9.209 1.00 0.42 N ATOM 1069 CA LYS A 55 3.065 23.932 8.064 1.00 0.48 C ATOM 1070 C LYS A 55 1.696 24.185 7.438 1.00 0.47 C ATOM 1071 O LYS A 55 1.411 25.295 6.987 1.00 0.58 O ATOM 1072 CB LYS A 55 4.026 23.393 7.032 1.00 0.55 C ATOM 1073 CG LYS A 55 5.453 23.337 7.530 1.00 1.23 C ATOM 1074 CD LYS A 55 6.418 23.178 6.381 1.00 1.16 C ATOM 1075 CE LYS A 55 6.625 24.485 5.628 1.00 1.03 C ATOM 1076 NZ LYS A 55 7.236 25.535 6.486 1.00 1.48 N ATOM 0 H LYS A 55 3.067 22.044 8.979 1.00 0.42 H new ATOM 0 HA LYS A 55 3.435 24.890 8.429 1.00 0.48 H new ATOM 0 HB2 LYS A 55 3.710 22.393 6.736 1.00 0.55 H new ATOM 0 HB3 LYS A 55 3.982 24.018 6.140 1.00 0.55 H new ATOM 0 HG2 LYS A 55 5.686 24.247 8.082 1.00 1.23 H new ATOM 0 HG3 LYS A 55 5.568 22.505 8.224 1.00 1.23 H new ATOM 0 HD2 LYS A 55 7.376 22.821 6.758 1.00 1.16 H new ATOM 0 HD3 LYS A 55 6.043 22.419 5.694 1.00 1.16 H new ATOM 0 HE2 LYS A 55 7.264 24.307 4.763 1.00 1.03 H new ATOM 0 HE3 LYS A 55 5.667 24.840 5.249 1.00 1.03 H new ATOM 0 HZ1 LYS A 55 7.695 26.250 5.886 1.00 1.48 H new ATOM 0 HZ2 LYS A 55 6.497 25.988 7.060 1.00 1.48 H new ATOM 0 HZ3 LYS A 55 7.944 25.102 7.113 1.00 1.48 H new ATOM 1090 N SER A 56 0.857 23.167 7.407 1.00 0.39 N ATOM 1091 CA SER A 56 -0.498 23.310 6.904 1.00 0.39 C ATOM 1092 C SER A 56 -1.432 22.408 7.705 1.00 0.38 C ATOM 1093 O SER A 56 -1.651 21.250 7.345 1.00 0.38 O ATOM 1094 CB SER A 56 -0.561 22.967 5.412 1.00 0.40 C ATOM 1095 OG SER A 56 -1.842 23.249 4.870 1.00 1.16 O ATOM 0 H SER A 56 1.091 22.227 7.726 1.00 0.39 H new ATOM 0 HA SER A 56 -0.815 24.346 7.020 1.00 0.39 H new ATOM 0 HB2 SER A 56 0.197 23.536 4.874 1.00 0.40 H new ATOM 0 HB3 SER A 56 -0.328 21.912 5.269 1.00 0.40 H new ATOM 0 HG SER A 56 -1.808 23.175 3.893 1.00 1.16 H new ATOM 1101 N PRO A 57 -1.967 22.940 8.823 1.00 0.41 N ATOM 1102 CA PRO A 57 -2.721 22.170 9.823 1.00 0.43 C ATOM 1103 C PRO A 57 -3.677 21.148 9.218 1.00 0.44 C ATOM 1104 O PRO A 57 -3.630 19.959 9.546 1.00 0.45 O ATOM 1105 CB PRO A 57 -3.509 23.256 10.544 1.00 0.48 C ATOM 1106 CG PRO A 57 -2.617 24.444 10.505 1.00 0.58 C ATOM 1107 CD PRO A 57 -1.873 24.366 9.198 1.00 0.45 C ATOM 0 HA PRO A 57 -2.060 21.577 10.455 1.00 0.43 H new ATOM 0 HB2 PRO A 57 -4.458 23.455 10.047 1.00 0.48 H new ATOM 0 HB3 PRO A 57 -3.740 22.966 11.569 1.00 0.48 H new ATOM 0 HG2 PRO A 57 -3.194 25.367 10.570 1.00 0.58 H new ATOM 0 HG3 PRO A 57 -1.926 24.440 11.348 1.00 0.58 H new ATOM 0 HD2 PRO A 57 -2.324 25.009 8.442 1.00 0.45 H new ATOM 0 HD3 PRO A 57 -0.836 24.683 9.309 1.00 0.45 H new ATOM 1115 N GLU A 58 -4.541 21.642 8.334 1.00 0.47 N ATOM 1116 CA GLU A 58 -5.564 20.830 7.688 1.00 0.51 C ATOM 1117 C GLU A 58 -4.970 19.668 6.903 1.00 0.47 C ATOM 1118 O GLU A 58 -5.548 18.584 6.888 1.00 0.47 O ATOM 1119 CB GLU A 58 -6.429 21.674 6.744 1.00 0.65 C ATOM 1120 CG GLU A 58 -7.183 22.812 7.417 1.00 1.44 C ATOM 1121 CD GLU A 58 -6.277 23.948 7.835 1.00 1.92 C ATOM 1122 OE1 GLU A 58 -5.695 24.605 6.945 1.00 2.45 O ATOM 1123 OE2 GLU A 58 -6.127 24.181 9.053 1.00 2.42 O ATOM 0 H GLU A 58 -4.549 22.620 8.046 1.00 0.47 H new ATOM 0 HA GLU A 58 -6.181 20.427 8.491 1.00 0.51 H new ATOM 0 HB2 GLU A 58 -5.791 22.090 5.964 1.00 0.65 H new ATOM 0 HB3 GLU A 58 -7.149 21.020 6.252 1.00 0.65 H new ATOM 0 HG2 GLU A 58 -7.943 23.192 6.735 1.00 1.44 H new ATOM 0 HG3 GLU A 58 -7.705 22.428 8.294 1.00 1.44 H new ATOM 1130 N LEU A 59 -3.814 19.866 6.273 1.00 0.46 N ATOM 1131 CA LEU A 59 -3.251 18.815 5.436 1.00 0.48 C ATOM 1132 C LEU A 59 -2.808 17.658 6.313 1.00 0.43 C ATOM 1133 O LEU A 59 -2.938 16.491 5.949 1.00 0.47 O ATOM 1134 CB LEU A 59 -2.074 19.319 4.601 1.00 0.56 C ATOM 1135 CG LEU A 59 -2.437 20.261 3.450 1.00 0.67 C ATOM 1136 CD1 LEU A 59 -1.201 20.580 2.625 1.00 1.15 C ATOM 1137 CD2 LEU A 59 -3.519 19.650 2.569 1.00 1.42 C ATOM 0 H LEU A 59 -3.262 20.722 6.324 1.00 0.46 H new ATOM 0 HA LEU A 59 -4.024 18.484 4.742 1.00 0.48 H new ATOM 0 HB2 LEU A 59 -1.376 19.833 5.262 1.00 0.56 H new ATOM 0 HB3 LEU A 59 -1.548 18.458 4.190 1.00 0.56 H new ATOM 0 HG LEU A 59 -2.827 21.186 3.874 1.00 0.67 H new ATOM 0 HD11 LEU A 59 -1.471 21.251 1.809 1.00 1.15 H new ATOM 0 HD12 LEU A 59 -0.455 21.061 3.258 1.00 1.15 H new ATOM 0 HD13 LEU A 59 -0.789 19.658 2.215 1.00 1.15 H new ATOM 0 HD21 LEU A 59 -3.760 20.338 1.759 1.00 1.42 H new ATOM 0 HD22 LEU A 59 -3.160 18.709 2.152 1.00 1.42 H new ATOM 0 HD23 LEU A 59 -4.412 19.465 3.165 1.00 1.42 H new ATOM 1149 N GLY A 60 -2.291 18.017 7.486 1.00 0.37 N ATOM 1150 CA GLY A 60 -1.899 17.034 8.470 1.00 0.36 C ATOM 1151 C GLY A 60 -3.078 16.211 8.939 1.00 0.35 C ATOM 1152 O GLY A 60 -2.933 15.042 9.273 1.00 0.36 O ATOM 0 H GLY A 60 -2.137 18.984 7.770 1.00 0.37 H new ATOM 0 HA2 GLY A 60 -1.142 16.375 8.045 1.00 0.36 H new ATOM 0 HA3 GLY A 60 -1.443 17.535 9.323 1.00 0.36 H new ATOM 1156 N ALA A 61 -4.248 16.830 8.968 1.00 0.37 N ATOM 1157 CA ALA A 61 -5.474 16.125 9.312 1.00 0.42 C ATOM 1158 C ALA A 61 -5.919 15.231 8.159 1.00 0.44 C ATOM 1159 O ALA A 61 -6.388 14.113 8.374 1.00 0.48 O ATOM 1160 CB ALA A 61 -6.569 17.115 9.673 1.00 0.45 C ATOM 0 H ALA A 61 -4.375 17.820 8.757 1.00 0.37 H new ATOM 0 HA ALA A 61 -5.279 15.494 10.179 1.00 0.42 H new ATOM 0 HB1 ALA A 61 -7.480 16.573 9.928 1.00 0.45 H new ATOM 0 HB2 ALA A 61 -6.252 17.713 10.527 1.00 0.45 H new ATOM 0 HB3 ALA A 61 -6.762 17.770 8.823 1.00 0.45 H new ATOM 1166 N LYS A 62 -5.757 15.730 6.933 1.00 0.45 N ATOM 1167 CA LYS A 62 -6.124 14.981 5.742 1.00 0.50 C ATOM 1168 C LYS A 62 -5.281 13.715 5.623 1.00 0.54 C ATOM 1169 O LYS A 62 -5.794 12.647 5.288 1.00 0.69 O ATOM 1170 CB LYS A 62 -5.942 15.847 4.490 1.00 0.53 C ATOM 1171 CG LYS A 62 -6.734 17.148 4.505 1.00 0.90 C ATOM 1172 CD LYS A 62 -8.239 16.917 4.559 1.00 1.25 C ATOM 1173 CE LYS A 62 -8.768 16.278 3.282 1.00 1.51 C ATOM 1174 NZ LYS A 62 -10.252 16.176 3.288 1.00 2.17 N ATOM 0 H LYS A 62 -5.372 16.655 6.744 1.00 0.45 H new ATOM 0 HA LYS A 62 -7.173 14.697 5.828 1.00 0.50 H new ATOM 0 HB2 LYS A 62 -4.884 16.081 4.376 1.00 0.53 H new ATOM 0 HB3 LYS A 62 -6.236 15.267 3.616 1.00 0.53 H new ATOM 0 HG2 LYS A 62 -6.430 17.744 5.366 1.00 0.90 H new ATOM 0 HG3 LYS A 62 -6.491 17.727 3.614 1.00 0.90 H new ATOM 0 HD2 LYS A 62 -8.477 16.277 5.409 1.00 1.25 H new ATOM 0 HD3 LYS A 62 -8.745 17.868 4.724 1.00 1.25 H new ATOM 0 HE2 LYS A 62 -8.448 16.866 2.422 1.00 1.51 H new ATOM 0 HE3 LYS A 62 -8.336 15.284 3.167 1.00 1.51 H new ATOM 0 HZ1 LYS A 62 -10.573 15.736 2.402 1.00 2.17 H new ATOM 0 HZ2 LYS A 62 -10.557 15.594 4.094 1.00 2.17 H new ATOM 0 HZ3 LYS A 62 -10.665 17.127 3.372 1.00 2.17 H new ATOM 1188 N VAL A 63 -3.989 13.838 5.902 1.00 0.45 N ATOM 1189 CA VAL A 63 -3.085 12.697 5.842 1.00 0.48 C ATOM 1190 C VAL A 63 -3.246 11.814 7.079 1.00 0.46 C ATOM 1191 O VAL A 63 -3.058 10.599 7.011 1.00 0.53 O ATOM 1192 CB VAL A 63 -1.613 13.143 5.693 1.00 0.48 C ATOM 1193 CG1 VAL A 63 -1.163 13.931 6.905 1.00 1.12 C ATOM 1194 CG2 VAL A 63 -0.702 11.949 5.449 1.00 1.12 C ATOM 0 H VAL A 63 -3.544 14.716 6.172 1.00 0.45 H new ATOM 0 HA VAL A 63 -3.351 12.118 4.958 1.00 0.48 H new ATOM 0 HB VAL A 63 -1.546 13.796 4.823 1.00 0.48 H new ATOM 0 HG11 VAL A 63 -0.124 14.234 6.777 1.00 1.12 H new ATOM 0 HG12 VAL A 63 -1.788 14.817 7.016 1.00 1.12 H new ATOM 0 HG13 VAL A 63 -1.253 13.310 7.796 1.00 1.12 H new ATOM 0 HG21 VAL A 63 0.328 12.292 5.348 1.00 1.12 H new ATOM 0 HG22 VAL A 63 -0.774 11.259 6.290 1.00 1.12 H new ATOM 0 HG23 VAL A 63 -1.006 11.440 4.534 1.00 1.12 H new ATOM 1198 N GLU A 64 -3.613 12.424 8.200 1.00 0.41 N ATOM 1199 CA GLU A 64 -3.818 11.680 9.434 1.00 0.42 C ATOM 1200 C GLU A 64 -4.965 10.695 9.281 1.00 0.50 C ATOM 1201 O GLU A 64 -4.802 9.508 9.556 1.00 0.55 O ATOM 1202 CB GLU A 64 -4.105 12.614 10.610 1.00 0.42 C ATOM 1203 CG GLU A 64 -4.352 11.871 11.911 1.00 0.53 C ATOM 1204 CD GLU A 64 -4.655 12.791 13.072 1.00 1.11 C ATOM 1205 OE1 GLU A 64 -5.810 13.242 13.196 1.00 1.66 O ATOM 1206 OE2 GLU A 64 -3.738 13.050 13.876 1.00 1.70 O ATOM 0 H GLU A 64 -3.774 13.428 8.279 1.00 0.41 H new ATOM 0 HA GLU A 64 -2.897 11.135 9.640 1.00 0.42 H new ATOM 0 HB2 GLU A 64 -3.263 13.294 10.741 1.00 0.42 H new ATOM 0 HB3 GLU A 64 -4.976 13.226 10.377 1.00 0.42 H new ATOM 0 HG2 GLU A 64 -5.185 11.181 11.776 1.00 0.53 H new ATOM 0 HG3 GLU A 64 -3.475 11.270 12.151 1.00 0.53 H new ATOM 1213 N LYS A 65 -6.116 11.187 8.821 1.00 0.58 N ATOM 1214 CA LYS A 65 -7.295 10.340 8.688 1.00 0.69 C ATOM 1215 C LYS A 65 -6.995 9.194 7.728 1.00 0.71 C ATOM 1216 O LYS A 65 -7.442 8.063 7.910 1.00 0.76 O ATOM 1217 CB LYS A 65 -8.497 11.158 8.190 1.00 0.84 C ATOM 1218 CG LYS A 65 -8.349 11.646 6.757 1.00 1.92 C ATOM 1219 CD LYS A 65 -9.562 12.427 6.288 1.00 2.40 C ATOM 1220 CE LYS A 65 -9.482 12.729 4.798 1.00 3.23 C ATOM 1221 NZ LYS A 65 -9.557 11.492 3.975 1.00 3.96 N ATOM 0 H LYS A 65 -6.254 12.157 8.538 1.00 0.58 H new ATOM 0 HA LYS A 65 -7.548 9.930 9.666 1.00 0.69 H new ATOM 0 HB2 LYS A 65 -9.397 10.549 8.266 1.00 0.84 H new ATOM 0 HB3 LYS A 65 -8.637 12.018 8.845 1.00 0.84 H new ATOM 0 HG2 LYS A 65 -7.462 12.275 6.679 1.00 1.92 H new ATOM 0 HG3 LYS A 65 -8.193 10.792 6.099 1.00 1.92 H new ATOM 0 HD2 LYS A 65 -10.467 11.858 6.498 1.00 2.40 H new ATOM 0 HD3 LYS A 65 -9.635 13.360 6.847 1.00 2.40 H new ATOM 0 HE2 LYS A 65 -10.295 13.400 4.520 1.00 3.23 H new ATOM 0 HE3 LYS A 65 -8.550 13.252 4.583 1.00 3.23 H new ATOM 0 HZ1 LYS A 65 -9.670 11.748 2.973 1.00 3.96 H new ATOM 0 HZ2 LYS A 65 -8.683 10.941 4.096 1.00 3.96 H new ATOM 0 HZ3 LYS A 65 -10.371 10.921 4.280 1.00 3.96 H new ATOM 1235 N LEU A 66 -6.194 9.519 6.719 1.00 0.72 N ATOM 1236 CA LEU A 66 -5.759 8.571 5.710 1.00 0.80 C ATOM 1237 C LEU A 66 -4.887 7.497 6.337 1.00 0.76 C ATOM 1238 O LEU A 66 -5.121 6.304 6.146 1.00 1.07 O ATOM 1239 CB LEU A 66 -5.009 9.341 4.597 1.00 0.84 C ATOM 1240 CG LEU A 66 -4.267 8.515 3.529 1.00 0.77 C ATOM 1241 CD1 LEU A 66 -2.927 8.007 4.049 1.00 1.50 C ATOM 1242 CD2 LEU A 66 -5.128 7.358 3.054 1.00 1.37 C ATOM 0 H LEU A 66 -5.826 10.460 6.581 1.00 0.72 H new ATOM 0 HA LEU A 66 -6.620 8.068 5.269 1.00 0.80 H new ATOM 0 HB2 LEU A 66 -5.730 9.979 4.086 1.00 0.84 H new ATOM 0 HB3 LEU A 66 -4.284 9.999 5.075 1.00 0.84 H new ATOM 0 HG LEU A 66 -4.068 9.171 2.682 1.00 0.77 H new ATOM 0 HD11 LEU A 66 -2.430 7.428 3.270 1.00 1.50 H new ATOM 0 HD12 LEU A 66 -2.300 8.854 4.327 1.00 1.50 H new ATOM 0 HD13 LEU A 66 -3.091 7.375 4.922 1.00 1.50 H new ATOM 0 HD21 LEU A 66 -4.586 6.787 2.300 1.00 1.37 H new ATOM 0 HD22 LEU A 66 -5.366 6.711 3.898 1.00 1.37 H new ATOM 0 HD23 LEU A 66 -6.051 7.745 2.622 1.00 1.37 H new ATOM 1254 N HIS A 67 -3.920 7.916 7.122 1.00 0.52 N ATOM 1255 CA HIS A 67 -2.906 7.004 7.600 1.00 0.55 C ATOM 1256 C HIS A 67 -3.466 6.176 8.739 1.00 0.44 C ATOM 1257 O HIS A 67 -3.114 5.015 8.906 1.00 0.45 O ATOM 1258 CB HIS A 67 -1.661 7.787 8.024 1.00 0.67 C ATOM 1259 CG HIS A 67 -0.538 6.937 8.520 1.00 0.94 C ATOM 1260 ND1 HIS A 67 0.138 6.032 7.732 1.00 1.62 N ATOM 1261 CD2 HIS A 67 0.033 6.871 9.737 1.00 1.85 C ATOM 1262 CE1 HIS A 67 1.078 5.446 8.449 1.00 2.13 C ATOM 1263 NE2 HIS A 67 1.037 5.940 9.673 1.00 2.34 N ATOM 0 H HIS A 67 -3.814 8.879 7.442 1.00 0.52 H new ATOM 0 HA HIS A 67 -2.611 6.322 6.802 1.00 0.55 H new ATOM 0 HB2 HIS A 67 -1.309 8.374 7.176 1.00 0.67 H new ATOM 0 HB3 HIS A 67 -1.939 8.493 8.806 1.00 0.67 H new ATOM 0 HD2 HIS A 67 -0.249 7.447 10.606 1.00 1.85 H new ATOM 0 HE1 HIS A 67 1.764 4.691 8.095 1.00 2.13 H new ATOM 0 HE2 HIS A 67 1.651 5.673 10.443 1.00 2.34 H new ATOM 1272 N ALA A 68 -4.361 6.784 9.493 1.00 0.39 N ATOM 1273 CA ALA A 68 -5.043 6.119 10.586 1.00 0.36 C ATOM 1274 C ALA A 68 -5.932 4.980 10.083 1.00 0.34 C ATOM 1275 O ALA A 68 -5.945 3.903 10.677 1.00 0.37 O ATOM 1276 CB ALA A 68 -5.861 7.143 11.347 1.00 0.40 C ATOM 0 H ALA A 68 -4.637 7.758 9.364 1.00 0.39 H new ATOM 0 HA ALA A 68 -4.301 5.674 11.249 1.00 0.36 H new ATOM 0 HB1 ALA A 68 -6.379 6.654 12.172 1.00 0.40 H new ATOM 0 HB2 ALA A 68 -5.201 7.917 11.740 1.00 0.40 H new ATOM 0 HB3 ALA A 68 -6.592 7.596 10.677 1.00 0.40 H new ATOM 1282 N MET A 69 -6.675 5.212 8.997 1.00 0.33 N ATOM 1283 CA MET A 69 -7.472 4.144 8.381 1.00 0.37 C ATOM 1284 C MET A 69 -6.567 2.981 8.029 1.00 0.37 C ATOM 1285 O MET A 69 -6.822 1.830 8.391 1.00 0.42 O ATOM 1286 CB MET A 69 -8.156 4.610 7.096 1.00 0.46 C ATOM 1287 CG MET A 69 -9.263 5.628 7.284 1.00 0.44 C ATOM 1288 SD MET A 69 -10.119 5.976 5.734 1.00 0.72 S ATOM 1289 CE MET A 69 -8.746 6.467 4.689 1.00 0.55 C ATOM 0 H MET A 69 -6.742 6.117 8.530 1.00 0.33 H new ATOM 0 HA MET A 69 -8.236 3.852 9.102 1.00 0.37 H new ATOM 0 HB2 MET A 69 -7.401 5.037 6.436 1.00 0.46 H new ATOM 0 HB3 MET A 69 -8.569 3.739 6.587 1.00 0.46 H new ATOM 0 HG2 MET A 69 -9.977 5.257 8.019 1.00 0.44 H new ATOM 0 HG3 MET A 69 -8.844 6.551 7.684 1.00 0.44 H new ATOM 0 HE1 MET A 69 -9.023 7.351 4.116 1.00 0.55 H new ATOM 0 HE2 MET A 69 -7.879 6.694 5.310 1.00 0.55 H new ATOM 0 HE3 MET A 69 -8.500 5.654 4.006 1.00 0.55 H new ATOM 1299 N VAL A 70 -5.509 3.318 7.313 1.00 0.36 N ATOM 1300 CA VAL A 70 -4.483 2.382 6.922 1.00 0.39 C ATOM 1301 C VAL A 70 -3.966 1.606 8.128 1.00 0.38 C ATOM 1302 O VAL A 70 -3.903 0.377 8.114 1.00 0.38 O ATOM 1303 CB VAL A 70 -3.332 3.158 6.259 1.00 0.42 C ATOM 1304 CG1 VAL A 70 -2.126 2.275 6.033 1.00 0.79 C ATOM 1305 CG2 VAL A 70 -3.808 3.773 4.953 1.00 0.70 C ATOM 0 H VAL A 70 -5.341 4.269 6.984 1.00 0.36 H new ATOM 0 HA VAL A 70 -4.903 1.663 6.218 1.00 0.39 H new ATOM 0 HB VAL A 70 -3.024 3.957 6.934 1.00 0.42 H new ATOM 0 HG11 VAL A 70 -1.333 2.856 5.563 1.00 0.79 H new ATOM 0 HG12 VAL A 70 -1.774 1.887 6.989 1.00 0.79 H new ATOM 0 HG13 VAL A 70 -2.400 1.444 5.383 1.00 0.79 H new ATOM 0 HG21 VAL A 70 -2.988 4.321 4.489 1.00 0.70 H new ATOM 0 HG22 VAL A 70 -4.144 2.984 4.280 1.00 0.70 H new ATOM 0 HG23 VAL A 70 -4.634 4.456 5.152 1.00 0.70 H new ATOM 1309 N LYS A 71 -3.630 2.339 9.177 1.00 0.40 N ATOM 1310 CA LYS A 71 -3.107 1.746 10.397 1.00 0.43 C ATOM 1311 C LYS A 71 -4.120 0.830 11.062 1.00 0.44 C ATOM 1312 O LYS A 71 -3.759 -0.226 11.554 1.00 0.45 O ATOM 1313 CB LYS A 71 -2.661 2.828 11.379 1.00 0.48 C ATOM 1314 CG LYS A 71 -1.438 3.604 10.918 1.00 1.22 C ATOM 1315 CD LYS A 71 -0.293 2.676 10.535 1.00 1.30 C ATOM 1316 CE LYS A 71 0.009 1.686 11.646 1.00 0.75 C ATOM 1317 NZ LYS A 71 1.215 0.865 11.354 1.00 1.47 N ATOM 0 H LYS A 71 -3.711 3.355 9.207 1.00 0.40 H new ATOM 0 HA LYS A 71 -2.244 1.143 10.113 1.00 0.43 H new ATOM 0 HB2 LYS A 71 -3.484 3.525 11.537 1.00 0.48 H new ATOM 0 HB3 LYS A 71 -2.445 2.366 12.342 1.00 0.48 H new ATOM 0 HG2 LYS A 71 -1.703 4.227 10.064 1.00 1.22 H new ATOM 0 HG3 LYS A 71 -1.112 4.275 11.713 1.00 1.22 H new ATOM 0 HD2 LYS A 71 -0.549 2.136 9.623 1.00 1.30 H new ATOM 0 HD3 LYS A 71 0.598 3.265 10.317 1.00 1.30 H new ATOM 0 HE2 LYS A 71 0.157 2.226 12.581 1.00 0.75 H new ATOM 0 HE3 LYS A 71 -0.849 1.030 11.789 1.00 0.75 H new ATOM 0 HZ1 LYS A 71 1.148 -0.042 11.858 1.00 1.47 H new ATOM 0 HZ2 LYS A 71 1.276 0.689 10.331 1.00 1.47 H new ATOM 0 HZ3 LYS A 71 2.066 1.374 11.669 1.00 1.47 H new ATOM 1331 N SER A 72 -5.381 1.236 11.079 1.00 0.45 N ATOM 1332 CA SER A 72 -6.436 0.433 11.685 1.00 0.49 C ATOM 1333 C SER A 72 -6.551 -0.922 10.987 1.00 0.45 C ATOM 1334 O SER A 72 -6.734 -1.956 11.633 1.00 0.49 O ATOM 1335 CB SER A 72 -7.773 1.178 11.619 1.00 0.56 C ATOM 1336 OG SER A 72 -8.788 0.475 12.319 1.00 1.26 O ATOM 0 H SER A 72 -5.700 2.119 10.679 1.00 0.45 H new ATOM 0 HA SER A 72 -6.180 0.261 12.730 1.00 0.49 H new ATOM 0 HB2 SER A 72 -7.658 2.175 12.044 1.00 0.56 H new ATOM 0 HB3 SER A 72 -8.069 1.308 10.578 1.00 0.56 H new ATOM 0 HG SER A 72 -9.630 0.973 12.262 1.00 1.26 H new ATOM 1342 N LYS A 73 -6.423 -0.905 9.670 1.00 0.39 N ATOM 1343 CA LYS A 73 -6.510 -2.115 8.871 1.00 0.38 C ATOM 1344 C LYS A 73 -5.246 -2.962 9.029 1.00 0.33 C ATOM 1345 O LYS A 73 -5.324 -4.181 9.165 1.00 0.38 O ATOM 1346 CB LYS A 73 -6.754 -1.758 7.402 1.00 0.44 C ATOM 1347 CG LYS A 73 -8.018 -0.943 7.184 1.00 0.62 C ATOM 1348 CD LYS A 73 -8.227 -0.603 5.717 1.00 0.78 C ATOM 1349 CE LYS A 73 -9.532 0.149 5.508 1.00 0.88 C ATOM 1350 NZ LYS A 73 -9.808 0.413 4.072 1.00 1.54 N ATOM 0 H LYS A 73 -6.257 -0.057 9.128 1.00 0.39 H new ATOM 0 HA LYS A 73 -7.352 -2.709 9.226 1.00 0.38 H new ATOM 0 HB2 LYS A 73 -5.899 -1.197 7.025 1.00 0.44 H new ATOM 0 HB3 LYS A 73 -6.816 -2.676 6.818 1.00 0.44 H new ATOM 0 HG2 LYS A 73 -8.878 -1.501 7.553 1.00 0.62 H new ATOM 0 HG3 LYS A 73 -7.962 -0.023 7.766 1.00 0.62 H new ATOM 0 HD2 LYS A 73 -7.394 0.002 5.359 1.00 0.78 H new ATOM 0 HD3 LYS A 73 -8.233 -1.519 5.126 1.00 0.78 H new ATOM 0 HE2 LYS A 73 -10.353 -0.428 5.933 1.00 0.88 H new ATOM 0 HE3 LYS A 73 -9.494 1.095 6.048 1.00 0.88 H new ATOM 0 HZ1 LYS A 73 -10.760 0.820 3.971 1.00 1.54 H new ATOM 0 HZ2 LYS A 73 -9.104 1.082 3.700 1.00 1.54 H new ATOM 0 HZ3 LYS A 73 -9.754 -0.478 3.539 1.00 1.54 H new ATOM 1364 N ILE A 74 -4.088 -2.318 9.038 1.00 0.28 N ATOM 1365 CA ILE A 74 -2.825 -3.018 9.258 1.00 0.28 C ATOM 1366 C ILE A 74 -2.718 -3.506 10.708 1.00 0.28 C ATOM 1367 O ILE A 74 -2.045 -4.494 11.000 1.00 0.30 O ATOM 1368 CB ILE A 74 -1.627 -2.118 8.886 1.00 0.30 C ATOM 1369 CG1 ILE A 74 -1.712 -1.776 7.398 1.00 0.30 C ATOM 1370 CG2 ILE A 74 -0.302 -2.795 9.207 1.00 0.34 C ATOM 1371 CD1 ILE A 74 -0.596 -0.895 6.897 1.00 0.32 C ATOM 0 H ILE A 74 -3.994 -1.312 8.896 1.00 0.28 H new ATOM 0 HA ILE A 74 -2.803 -3.892 8.607 1.00 0.28 H new ATOM 0 HB ILE A 74 -1.671 -1.204 9.478 1.00 0.30 H new ATOM 0 HG12 ILE A 74 -1.713 -2.703 6.824 1.00 0.30 H new ATOM 0 HG13 ILE A 74 -2.664 -1.281 7.205 1.00 0.30 H new ATOM 0 HG21 ILE A 74 0.520 -2.134 8.933 1.00 0.34 H new ATOM 0 HG22 ILE A 74 -0.253 -3.011 10.274 1.00 0.34 H new ATOM 0 HG23 ILE A 74 -0.223 -3.725 8.644 1.00 0.34 H new ATOM 0 HD11 ILE A 74 -0.734 -0.702 5.833 1.00 0.32 H new ATOM 0 HD12 ILE A 74 -0.606 0.049 7.441 1.00 0.32 H new ATOM 0 HD13 ILE A 74 0.360 -1.394 7.054 1.00 0.32 H new ATOM 1378 N ALA A 75 -3.409 -2.818 11.606 1.00 0.31 N ATOM 1379 CA ALA A 75 -3.525 -3.251 12.995 1.00 0.32 C ATOM 1380 C ALA A 75 -4.274 -4.573 13.065 1.00 0.32 C ATOM 1381 O ALA A 75 -3.970 -5.443 13.879 1.00 0.35 O ATOM 1382 CB ALA A 75 -4.262 -2.205 13.820 1.00 0.34 C ATOM 0 H ALA A 75 -3.902 -1.950 11.397 1.00 0.31 H new ATOM 0 HA ALA A 75 -2.522 -3.379 13.402 1.00 0.32 H new ATOM 0 HB1 ALA A 75 -4.339 -2.545 14.853 1.00 0.34 H new ATOM 0 HB2 ALA A 75 -3.714 -1.264 13.788 1.00 0.34 H new ATOM 0 HB3 ALA A 75 -5.261 -2.057 13.411 1.00 0.34 H new ATOM 1388 N ALA A 76 -5.245 -4.708 12.174 1.00 0.31 N ATOM 1389 CA ALA A 76 -6.092 -5.887 12.096 1.00 0.32 C ATOM 1390 C ALA A 76 -5.441 -6.964 11.233 1.00 0.34 C ATOM 1391 O ALA A 76 -5.971 -8.066 11.081 1.00 0.49 O ATOM 1392 CB ALA A 76 -7.443 -5.492 11.517 1.00 0.35 C ATOM 0 H ALA A 76 -5.468 -3.996 11.479 1.00 0.31 H new ATOM 0 HA ALA A 76 -6.228 -6.296 13.097 1.00 0.32 H new ATOM 0 HB1 ALA A 76 -8.084 -6.372 11.456 1.00 0.35 H new ATOM 0 HB2 ALA A 76 -7.911 -4.747 12.160 1.00 0.35 H new ATOM 0 HB3 ALA A 76 -7.303 -5.074 10.520 1.00 0.35 H new ATOM 1398 N LEU A 77 -4.283 -6.639 10.682 1.00 0.34 N ATOM 1399 CA LEU A 77 -3.582 -7.530 9.779 1.00 0.31 C ATOM 1400 C LEU A 77 -2.551 -8.341 10.554 1.00 0.32 C ATOM 1401 O LEU A 77 -1.811 -7.792 11.373 1.00 0.33 O ATOM 1402 CB LEU A 77 -2.911 -6.691 8.689 1.00 0.30 C ATOM 1403 CG LEU A 77 -2.533 -7.419 7.399 1.00 0.38 C ATOM 1404 CD1 LEU A 77 -3.709 -8.225 6.874 1.00 0.71 C ATOM 1405 CD2 LEU A 77 -2.100 -6.401 6.361 1.00 0.58 C ATOM 0 H LEU A 77 -3.806 -5.753 10.849 1.00 0.34 H new ATOM 0 HA LEU A 77 -4.280 -8.227 9.315 1.00 0.31 H new ATOM 0 HB2 LEU A 77 -3.579 -5.869 8.433 1.00 0.30 H new ATOM 0 HB3 LEU A 77 -2.007 -6.249 9.108 1.00 0.30 H new ATOM 0 HG LEU A 77 -1.713 -8.106 7.606 1.00 0.38 H new ATOM 0 HD11 LEU A 77 -3.419 -8.735 5.956 1.00 0.71 H new ATOM 0 HD12 LEU A 77 -4.007 -8.962 7.620 1.00 0.71 H new ATOM 0 HD13 LEU A 77 -4.546 -7.557 6.669 1.00 0.71 H new ATOM 0 HD21 LEU A 77 -1.829 -6.915 5.439 1.00 0.58 H new ATOM 0 HD22 LEU A 77 -2.920 -5.710 6.164 1.00 0.58 H new ATOM 0 HD23 LEU A 77 -1.239 -5.845 6.733 1.00 0.58 H new ATOM 1417 N GLY A 78 -2.523 -9.646 10.312 1.00 0.36 N ATOM 1418 CA GLY A 78 -1.591 -10.511 11.010 1.00 0.42 C ATOM 1419 C GLY A 78 -0.151 -10.183 10.673 1.00 0.46 C ATOM 1420 O GLY A 78 0.119 -9.703 9.578 1.00 0.76 O ATOM 0 H GLY A 78 -3.130 -10.121 9.644 1.00 0.36 H new ATOM 0 HA2 GLY A 78 -1.743 -10.415 12.085 1.00 0.42 H new ATOM 0 HA3 GLY A 78 -1.797 -11.550 10.751 1.00 0.42 H new ATOM 1424 N PRO A 79 0.788 -10.438 11.606 1.00 0.66 N ATOM 1425 CA PRO A 79 2.218 -10.107 11.461 1.00 0.86 C ATOM 1426 C PRO A 79 2.785 -10.340 10.056 1.00 0.60 C ATOM 1427 O PRO A 79 3.567 -9.529 9.555 1.00 0.64 O ATOM 1428 CB PRO A 79 2.875 -11.064 12.449 1.00 1.32 C ATOM 1429 CG PRO A 79 1.880 -11.214 13.544 1.00 1.56 C ATOM 1430 CD PRO A 79 0.518 -11.084 12.907 1.00 1.10 C ATOM 0 HA PRO A 79 2.396 -9.047 11.641 1.00 0.86 H new ATOM 0 HB2 PRO A 79 3.099 -12.023 11.983 1.00 1.32 H new ATOM 0 HB3 PRO A 79 3.818 -10.663 12.822 1.00 1.32 H new ATOM 0 HG2 PRO A 79 1.987 -12.181 14.036 1.00 1.56 H new ATOM 0 HG3 PRO A 79 2.026 -10.450 14.308 1.00 1.56 H new ATOM 0 HD2 PRO A 79 0.044 -12.057 12.778 1.00 1.10 H new ATOM 0 HD3 PRO A 79 -0.153 -10.481 13.520 1.00 1.10 H new ATOM 1438 N GLU A 80 2.384 -11.436 9.420 1.00 0.51 N ATOM 1439 CA GLU A 80 2.921 -11.791 8.116 1.00 0.49 C ATOM 1440 C GLU A 80 2.433 -10.832 7.039 1.00 0.42 C ATOM 1441 O GLU A 80 3.226 -10.345 6.234 1.00 0.49 O ATOM 1442 CB GLU A 80 2.564 -13.232 7.752 1.00 0.70 C ATOM 1443 CG GLU A 80 3.203 -14.258 8.671 1.00 1.25 C ATOM 1444 CD GLU A 80 3.040 -15.672 8.164 1.00 1.79 C ATOM 1445 OE1 GLU A 80 3.874 -16.111 7.345 1.00 2.19 O ATOM 1446 OE2 GLU A 80 2.082 -16.354 8.581 1.00 2.52 O ATOM 0 H GLU A 80 1.692 -12.090 9.786 1.00 0.51 H new ATOM 0 HA GLU A 80 4.006 -11.710 8.173 1.00 0.49 H new ATOM 0 HB2 GLU A 80 1.481 -13.350 7.784 1.00 0.70 H new ATOM 0 HB3 GLU A 80 2.876 -13.429 6.726 1.00 0.70 H new ATOM 0 HG2 GLU A 80 4.264 -14.034 8.778 1.00 1.25 H new ATOM 0 HG3 GLU A 80 2.759 -14.178 9.663 1.00 1.25 H new ATOM 1453 N ALA A 81 1.145 -10.538 7.028 1.00 0.36 N ATOM 1454 CA ALA A 81 0.611 -9.630 6.023 1.00 0.34 C ATOM 1455 C ALA A 81 0.883 -8.188 6.428 1.00 0.31 C ATOM 1456 O ALA A 81 1.118 -7.316 5.591 1.00 0.32 O ATOM 1457 CB ALA A 81 -0.869 -9.882 5.804 1.00 0.36 C ATOM 0 H ALA A 81 0.460 -10.905 7.688 1.00 0.36 H new ATOM 0 HA ALA A 81 1.114 -9.814 5.074 1.00 0.34 H new ATOM 0 HB1 ALA A 81 -1.248 -9.193 5.049 1.00 0.36 H new ATOM 0 HB2 ALA A 81 -1.017 -10.908 5.466 1.00 0.36 H new ATOM 0 HB3 ALA A 81 -1.407 -9.727 6.739 1.00 0.36 H new ATOM 1463 N LYS A 82 0.866 -7.968 7.733 1.00 0.31 N ATOM 1464 CA LYS A 82 1.146 -6.674 8.338 1.00 0.33 C ATOM 1465 C LYS A 82 2.531 -6.168 7.948 1.00 0.33 C ATOM 1466 O LYS A 82 2.694 -4.999 7.595 1.00 0.32 O ATOM 1467 CB LYS A 82 1.028 -6.818 9.854 1.00 0.41 C ATOM 1468 CG LYS A 82 1.415 -5.592 10.652 1.00 0.60 C ATOM 1469 CD LYS A 82 1.125 -5.807 12.125 1.00 0.86 C ATOM 1470 CE LYS A 82 1.776 -4.746 12.985 1.00 1.33 C ATOM 1471 NZ LYS A 82 1.476 -4.945 14.426 1.00 2.04 N ATOM 0 H LYS A 82 0.653 -8.697 8.414 1.00 0.31 H new ATOM 0 HA LYS A 82 0.426 -5.940 7.976 1.00 0.33 H new ATOM 0 HB2 LYS A 82 -0.001 -7.080 10.098 1.00 0.41 H new ATOM 0 HB3 LYS A 82 1.654 -7.651 10.173 1.00 0.41 H new ATOM 0 HG2 LYS A 82 2.474 -5.378 10.511 1.00 0.60 H new ATOM 0 HG3 LYS A 82 0.863 -4.725 10.289 1.00 0.60 H new ATOM 0 HD2 LYS A 82 0.047 -5.797 12.289 1.00 0.86 H new ATOM 0 HD3 LYS A 82 1.484 -6.791 12.427 1.00 0.86 H new ATOM 0 HE2 LYS A 82 2.855 -4.766 12.832 1.00 1.33 H new ATOM 0 HE3 LYS A 82 1.428 -3.761 12.674 1.00 1.33 H new ATOM 0 HZ1 LYS A 82 1.939 -4.199 14.983 1.00 2.04 H new ATOM 0 HZ2 LYS A 82 0.448 -4.901 14.576 1.00 2.04 H new ATOM 0 HZ3 LYS A 82 1.831 -5.874 14.729 1.00 2.04 H new ATOM 1485 N GLY A 83 3.520 -7.054 7.997 1.00 0.37 N ATOM 1486 CA GLY A 83 4.869 -6.682 7.612 1.00 0.41 C ATOM 1487 C GLY A 83 4.943 -6.241 6.164 1.00 0.39 C ATOM 1488 O GLY A 83 5.659 -5.295 5.827 1.00 0.41 O ATOM 0 H GLY A 83 3.412 -8.023 8.296 1.00 0.37 H new ATOM 0 HA2 GLY A 83 5.221 -5.875 8.255 1.00 0.41 H new ATOM 0 HA3 GLY A 83 5.537 -7.529 7.768 1.00 0.41 H new ATOM 1492 N PHE A 84 4.193 -6.927 5.312 1.00 0.37 N ATOM 1493 CA PHE A 84 4.112 -6.575 3.902 1.00 0.37 C ATOM 1494 C PHE A 84 3.387 -5.246 3.711 1.00 0.34 C ATOM 1495 O PHE A 84 3.826 -4.401 2.932 1.00 0.37 O ATOM 1496 CB PHE A 84 3.404 -7.686 3.119 1.00 0.39 C ATOM 1497 CG PHE A 84 2.929 -7.259 1.759 1.00 0.74 C ATOM 1498 CD1 PHE A 84 3.822 -6.788 0.811 1.00 0.71 C ATOM 1499 CD2 PHE A 84 1.584 -7.319 1.435 1.00 1.22 C ATOM 1500 CE1 PHE A 84 3.380 -6.383 -0.432 1.00 1.13 C ATOM 1501 CE2 PHE A 84 1.139 -6.919 0.192 1.00 1.65 C ATOM 1502 CZ PHE A 84 2.038 -6.450 -0.742 1.00 1.59 C ATOM 0 H PHE A 84 3.629 -7.735 5.576 1.00 0.37 H new ATOM 0 HA PHE A 84 5.127 -6.465 3.519 1.00 0.37 H new ATOM 0 HB2 PHE A 84 4.085 -8.530 3.008 1.00 0.39 H new ATOM 0 HB3 PHE A 84 2.550 -8.039 3.698 1.00 0.39 H new ATOM 0 HD1 PHE A 84 4.875 -6.737 1.047 1.00 0.71 H new ATOM 0 HD2 PHE A 84 0.875 -7.683 2.164 1.00 1.22 H new ATOM 0 HE1 PHE A 84 4.085 -6.014 -1.162 1.00 1.13 H new ATOM 0 HE2 PHE A 84 0.088 -6.973 -0.049 1.00 1.65 H new ATOM 0 HZ PHE A 84 1.692 -6.135 -1.715 1.00 1.59 H new ATOM 1512 N ALA A 85 2.281 -5.067 4.423 1.00 0.30 N ATOM 1513 CA ALA A 85 1.485 -3.852 4.316 1.00 0.30 C ATOM 1514 C ALA A 85 2.314 -2.623 4.666 1.00 0.32 C ATOM 1515 O ALA A 85 2.318 -1.632 3.937 1.00 0.41 O ATOM 1516 CB ALA A 85 0.269 -3.944 5.224 1.00 0.28 C ATOM 0 H ALA A 85 1.914 -5.752 5.084 1.00 0.30 H new ATOM 0 HA ALA A 85 1.151 -3.751 3.283 1.00 0.30 H new ATOM 0 HB1 ALA A 85 -0.320 -3.031 5.137 1.00 0.28 H new ATOM 0 HB2 ALA A 85 -0.341 -4.798 4.930 1.00 0.28 H new ATOM 0 HB3 ALA A 85 0.595 -4.069 6.257 1.00 0.28 H new ATOM 1522 N GLU A 86 3.037 -2.709 5.773 1.00 0.31 N ATOM 1523 CA GLU A 86 3.905 -1.625 6.211 1.00 0.37 C ATOM 1524 C GLU A 86 5.007 -1.362 5.184 1.00 0.44 C ATOM 1525 O GLU A 86 5.347 -0.212 4.906 1.00 0.70 O ATOM 1526 CB GLU A 86 4.524 -1.961 7.566 1.00 0.43 C ATOM 1527 CG GLU A 86 3.548 -1.856 8.727 1.00 0.55 C ATOM 1528 CD GLU A 86 3.203 -0.420 9.072 1.00 0.95 C ATOM 1529 OE1 GLU A 86 4.093 0.303 9.576 1.00 1.11 O ATOM 1530 OE2 GLU A 86 2.046 -0.003 8.852 1.00 1.96 O ATOM 0 H GLU A 86 3.040 -3.523 6.388 1.00 0.31 H new ATOM 0 HA GLU A 86 3.302 -0.722 6.308 1.00 0.37 H new ATOM 0 HB2 GLU A 86 4.925 -2.974 7.531 1.00 0.43 H new ATOM 0 HB3 GLU A 86 5.364 -1.291 7.748 1.00 0.43 H new ATOM 0 HG2 GLU A 86 2.634 -2.395 8.478 1.00 0.55 H new ATOM 0 HG3 GLU A 86 3.977 -2.343 9.603 1.00 0.55 H new ATOM 1537 N LYS A 87 5.545 -2.437 4.615 1.00 0.41 N ATOM 1538 CA LYS A 87 6.643 -2.325 3.665 1.00 0.49 C ATOM 1539 C LYS A 87 6.178 -1.732 2.340 1.00 0.49 C ATOM 1540 O LYS A 87 6.760 -0.771 1.849 1.00 0.57 O ATOM 1541 CB LYS A 87 7.286 -3.692 3.420 1.00 0.57 C ATOM 1542 CG LYS A 87 8.779 -3.721 3.705 1.00 0.69 C ATOM 1543 CD LYS A 87 9.537 -2.693 2.881 1.00 1.25 C ATOM 1544 CE LYS A 87 10.984 -2.576 3.328 1.00 1.75 C ATOM 1545 NZ LYS A 87 11.089 -2.166 4.753 1.00 2.12 N ATOM 0 H LYS A 87 5.238 -3.393 4.796 1.00 0.41 H new ATOM 0 HA LYS A 87 7.382 -1.653 4.101 1.00 0.49 H new ATOM 0 HB2 LYS A 87 6.791 -4.435 4.045 1.00 0.57 H new ATOM 0 HB3 LYS A 87 7.116 -3.984 2.384 1.00 0.57 H new ATOM 0 HG2 LYS A 87 8.949 -3.533 4.765 1.00 0.69 H new ATOM 0 HG3 LYS A 87 9.169 -4.716 3.491 1.00 0.69 H new ATOM 0 HD2 LYS A 87 9.502 -2.972 1.828 1.00 1.25 H new ATOM 0 HD3 LYS A 87 9.048 -1.723 2.970 1.00 1.25 H new ATOM 0 HE2 LYS A 87 11.487 -3.533 3.187 1.00 1.75 H new ATOM 0 HE3 LYS A 87 11.501 -1.849 2.701 1.00 1.75 H new ATOM 0 HZ1 LYS A 87 12.010 -1.711 4.916 1.00 2.12 H new ATOM 0 HZ2 LYS A 87 10.327 -1.495 4.978 1.00 2.12 H new ATOM 0 HZ3 LYS A 87 11.004 -3.004 5.363 1.00 2.12 H new ATOM 1559 N SER A 88 5.119 -2.297 1.771 1.00 0.46 N ATOM 1560 CA SER A 88 4.636 -1.863 0.464 1.00 0.51 C ATOM 1561 C SER A 88 4.262 -0.386 0.483 1.00 0.51 C ATOM 1562 O SER A 88 4.554 0.355 -0.460 1.00 0.57 O ATOM 1563 CB SER A 88 3.440 -2.715 0.023 1.00 0.56 C ATOM 1564 OG SER A 88 2.511 -2.882 1.082 1.00 0.48 O ATOM 0 H SER A 88 4.580 -3.054 2.192 1.00 0.46 H new ATOM 0 HA SER A 88 5.443 -1.998 -0.257 1.00 0.51 H new ATOM 0 HB2 SER A 88 2.946 -2.242 -0.826 1.00 0.56 H new ATOM 0 HB3 SER A 88 3.790 -3.691 -0.315 1.00 0.56 H new ATOM 0 HG SER A 88 2.859 -3.538 1.722 1.00 0.48 H new ATOM 1570 N ILE A 89 3.643 0.045 1.574 1.00 0.50 N ATOM 1571 CA ILE A 89 3.218 1.420 1.713 1.00 0.56 C ATOM 1572 C ILE A 89 4.408 2.362 1.881 1.00 0.55 C ATOM 1573 O ILE A 89 4.427 3.436 1.288 1.00 0.59 O ATOM 1574 CB ILE A 89 2.232 1.574 2.887 1.00 0.63 C ATOM 1575 CG1 ILE A 89 0.931 0.833 2.561 1.00 0.83 C ATOM 1576 CG2 ILE A 89 1.961 3.042 3.183 1.00 0.79 C ATOM 1577 CD1 ILE A 89 -0.088 0.868 3.673 1.00 1.09 C ATOM 0 H ILE A 89 3.426 -0.546 2.376 1.00 0.50 H new ATOM 0 HA ILE A 89 2.704 1.698 0.793 1.00 0.56 H new ATOM 0 HB ILE A 89 2.676 1.137 3.781 1.00 0.63 H new ATOM 0 HG12 ILE A 89 0.491 1.269 1.664 1.00 0.83 H new ATOM 0 HG13 ILE A 89 1.165 -0.206 2.328 1.00 0.83 H new ATOM 0 HG21 ILE A 89 1.262 3.122 4.016 1.00 0.79 H new ATOM 0 HG22 ILE A 89 2.895 3.539 3.444 1.00 0.79 H new ATOM 0 HG23 ILE A 89 1.531 3.518 2.301 1.00 0.79 H new ATOM 0 HD11 ILE A 89 -0.980 0.322 3.366 1.00 1.09 H new ATOM 0 HD12 ILE A 89 0.332 0.404 4.566 1.00 1.09 H new ATOM 0 HD13 ILE A 89 -0.353 1.903 3.892 1.00 1.09 H new ATOM 1584 N GLU A 90 5.408 1.963 2.663 1.00 0.53 N ATOM 1585 CA GLU A 90 6.578 2.818 2.865 1.00 0.60 C ATOM 1586 C GLU A 90 7.410 2.907 1.583 1.00 0.56 C ATOM 1587 O GLU A 90 8.096 3.904 1.348 1.00 0.63 O ATOM 1588 CB GLU A 90 7.442 2.328 4.034 1.00 0.69 C ATOM 1589 CG GLU A 90 8.241 1.069 3.742 1.00 1.28 C ATOM 1590 CD GLU A 90 9.136 0.669 4.895 1.00 2.08 C ATOM 1591 OE1 GLU A 90 9.935 1.513 5.351 1.00 2.41 O ATOM 1592 OE2 GLU A 90 9.063 -0.493 5.343 1.00 2.82 O ATOM 0 H GLU A 90 5.435 1.072 3.159 1.00 0.53 H new ATOM 0 HA GLU A 90 6.216 3.815 3.117 1.00 0.60 H new ATOM 0 HB2 GLU A 90 8.131 3.123 4.318 1.00 0.69 H new ATOM 0 HB3 GLU A 90 6.797 2.143 4.893 1.00 0.69 H new ATOM 0 HG2 GLU A 90 7.556 0.252 3.518 1.00 1.28 H new ATOM 0 HG3 GLU A 90 8.850 1.227 2.852 1.00 1.28 H new ATOM 1599 N ILE A 91 7.349 1.865 0.759 1.00 0.47 N ATOM 1600 CA ILE A 91 8.018 1.874 -0.536 1.00 0.46 C ATOM 1601 C ILE A 91 7.319 2.849 -1.479 1.00 0.47 C ATOM 1602 O ILE A 91 7.960 3.699 -2.105 1.00 0.51 O ATOM 1603 CB ILE A 91 8.049 0.465 -1.174 1.00 0.43 C ATOM 1604 CG1 ILE A 91 8.886 -0.495 -0.316 1.00 0.43 C ATOM 1605 CG2 ILE A 91 8.601 0.538 -2.592 1.00 0.49 C ATOM 1606 CD1 ILE A 91 8.824 -1.943 -0.768 1.00 0.45 C ATOM 0 H ILE A 91 6.843 1.004 0.966 1.00 0.47 H new ATOM 0 HA ILE A 91 9.047 2.193 -0.373 1.00 0.46 H new ATOM 0 HB ILE A 91 7.030 0.082 -1.220 1.00 0.43 H new ATOM 0 HG12 ILE A 91 9.925 -0.165 -0.329 1.00 0.43 H new ATOM 0 HG13 ILE A 91 8.545 -0.433 0.717 1.00 0.43 H new ATOM 0 HG21 ILE A 91 8.617 -0.461 -3.028 1.00 0.49 H new ATOM 0 HG22 ILE A 91 7.968 1.188 -3.196 1.00 0.49 H new ATOM 0 HG23 ILE A 91 9.614 0.939 -2.568 1.00 0.49 H new ATOM 0 HD11 ILE A 91 9.441 -2.556 -0.111 1.00 0.45 H new ATOM 0 HD12 ILE A 91 7.792 -2.293 -0.728 1.00 0.45 H new ATOM 0 HD13 ILE A 91 9.194 -2.021 -1.790 1.00 0.45 H new ATOM 1613 N ALA A 92 5.994 2.735 -1.557 1.00 0.47 N ATOM 1614 CA ALA A 92 5.189 3.610 -2.395 1.00 0.53 C ATOM 1615 C ALA A 92 5.230 5.041 -1.876 1.00 0.60 C ATOM 1616 O ALA A 92 5.194 5.993 -2.652 1.00 0.64 O ATOM 1617 CB ALA A 92 3.755 3.106 -2.451 1.00 0.56 C ATOM 0 H ALA A 92 5.455 2.037 -1.044 1.00 0.47 H new ATOM 0 HA ALA A 92 5.604 3.602 -3.403 1.00 0.53 H new ATOM 0 HB1 ALA A 92 3.161 3.768 -3.081 1.00 0.56 H new ATOM 0 HB2 ALA A 92 3.739 2.099 -2.867 1.00 0.56 H new ATOM 0 HB3 ALA A 92 3.336 3.089 -1.445 1.00 0.56 H new ATOM 1623 N ARG A 93 5.310 5.179 -0.558 1.00 0.66 N ATOM 1624 CA ARG A 93 5.398 6.484 0.086 1.00 0.77 C ATOM 1625 C ARG A 93 6.598 7.257 -0.444 1.00 0.68 C ATOM 1626 O ARG A 93 6.511 8.460 -0.691 1.00 0.68 O ATOM 1627 CB ARG A 93 5.518 6.311 1.604 1.00 0.99 C ATOM 1628 CG ARG A 93 5.515 7.616 2.384 1.00 1.55 C ATOM 1629 CD ARG A 93 5.815 7.370 3.855 1.00 1.83 C ATOM 1630 NE ARG A 93 7.139 6.780 4.041 1.00 2.71 N ATOM 1631 CZ ARG A 93 7.521 6.108 5.123 1.00 3.44 C ATOM 1632 NH1 ARG A 93 6.686 5.939 6.139 1.00 3.55 N ATOM 1633 NH2 ARG A 93 8.746 5.606 5.187 1.00 4.42 N ATOM 0 H ARG A 93 5.316 4.393 0.092 1.00 0.66 H new ATOM 0 HA ARG A 93 4.492 7.046 -0.140 1.00 0.77 H new ATOM 0 HB2 ARG A 93 4.693 5.690 1.954 1.00 0.99 H new ATOM 0 HB3 ARG A 93 6.439 5.771 1.825 1.00 0.99 H new ATOM 0 HG2 ARG A 93 6.257 8.296 1.966 1.00 1.55 H new ATOM 0 HG3 ARG A 93 4.545 8.102 2.283 1.00 1.55 H new ATOM 0 HD2 ARG A 93 5.755 8.311 4.402 1.00 1.83 H new ATOM 0 HD3 ARG A 93 5.058 6.708 4.276 1.00 1.83 H new ATOM 0 HE ARG A 93 7.818 6.892 3.288 1.00 2.71 H new ATOM 0 HH11 ARG A 93 5.743 6.326 6.094 1.00 3.55 H new ATOM 0 HH12 ARG A 93 6.986 5.422 6.966 1.00 3.55 H new ATOM 0 HH21 ARG A 93 9.392 5.736 4.408 1.00 4.42 H new ATOM 0 HH22 ARG A 93 9.043 5.090 6.015 1.00 4.42 H new ATOM 1647 N GLY A 94 7.704 6.548 -0.648 1.00 0.66 N ATOM 1648 CA GLY A 94 8.909 7.176 -1.153 1.00 0.65 C ATOM 1649 C GLY A 94 8.742 7.661 -2.577 1.00 0.56 C ATOM 1650 O GLY A 94 9.338 8.657 -2.975 1.00 0.56 O ATOM 0 H GLY A 94 7.786 5.547 -0.472 1.00 0.66 H new ATOM 0 HA2 GLY A 94 9.175 8.017 -0.513 1.00 0.65 H new ATOM 0 HA3 GLY A 94 9.735 6.466 -1.106 1.00 0.65 H new ATOM 1654 N ILE A 95 7.908 6.965 -3.340 1.00 0.52 N ATOM 1655 CA ILE A 95 7.642 7.328 -4.723 1.00 0.48 C ATOM 1656 C ILE A 95 6.975 8.697 -4.798 1.00 0.47 C ATOM 1657 O ILE A 95 7.458 9.603 -5.478 1.00 0.49 O ATOM 1658 CB ILE A 95 6.748 6.267 -5.409 1.00 0.50 C ATOM 1659 CG1 ILE A 95 7.475 4.920 -5.468 1.00 0.53 C ATOM 1660 CG2 ILE A 95 6.341 6.717 -6.806 1.00 0.52 C ATOM 1661 CD1 ILE A 95 8.792 4.974 -6.213 1.00 0.55 C ATOM 0 H ILE A 95 7.402 6.140 -3.019 1.00 0.52 H new ATOM 0 HA ILE A 95 8.596 7.371 -5.249 1.00 0.48 H new ATOM 0 HB ILE A 95 5.841 6.150 -4.817 1.00 0.50 H new ATOM 0 HG12 ILE A 95 7.656 4.570 -4.452 1.00 0.53 H new ATOM 0 HG13 ILE A 95 6.826 4.187 -5.947 1.00 0.53 H new ATOM 0 HG21 ILE A 95 5.713 5.954 -7.266 1.00 0.52 H new ATOM 0 HG22 ILE A 95 5.785 7.652 -6.739 1.00 0.52 H new ATOM 0 HG23 ILE A 95 7.233 6.868 -7.414 1.00 0.52 H new ATOM 0 HD11 ILE A 95 9.250 3.985 -6.214 1.00 0.55 H new ATOM 0 HD12 ILE A 95 8.616 5.294 -7.240 1.00 0.55 H new ATOM 0 HD13 ILE A 95 9.459 5.682 -5.722 1.00 0.55 H new ATOM 1668 N LYS A 96 5.878 8.858 -4.071 1.00 0.50 N ATOM 1669 CA LYS A 96 5.179 10.138 -4.021 1.00 0.54 C ATOM 1670 C LYS A 96 5.940 11.136 -3.170 1.00 0.57 C ATOM 1671 O LYS A 96 5.706 12.327 -3.293 1.00 0.83 O ATOM 1672 CB LYS A 96 3.734 10.022 -3.514 1.00 0.64 C ATOM 1673 CG LYS A 96 2.835 9.087 -4.310 1.00 1.47 C ATOM 1674 CD LYS A 96 3.105 7.626 -3.986 1.00 1.78 C ATOM 1675 CE LYS A 96 2.013 6.730 -4.533 1.00 1.90 C ATOM 1676 NZ LYS A 96 0.712 6.963 -3.853 1.00 2.70 N ATOM 0 H LYS A 96 5.452 8.121 -3.508 1.00 0.50 H new ATOM 0 HA LYS A 96 5.131 10.492 -5.051 1.00 0.54 H new ATOM 0 HB2 LYS A 96 3.757 9.682 -2.479 1.00 0.64 H new ATOM 0 HB3 LYS A 96 3.286 11.016 -3.514 1.00 0.64 H new ATOM 0 HG2 LYS A 96 1.791 9.319 -4.097 1.00 1.47 H new ATOM 0 HG3 LYS A 96 2.988 9.257 -5.376 1.00 1.47 H new ATOM 0 HD2 LYS A 96 4.066 7.330 -4.406 1.00 1.78 H new ATOM 0 HD3 LYS A 96 3.176 7.498 -2.906 1.00 1.78 H new ATOM 0 HE2 LYS A 96 1.900 6.907 -5.603 1.00 1.90 H new ATOM 0 HE3 LYS A 96 2.304 5.687 -4.411 1.00 1.90 H new ATOM 0 HZ1 LYS A 96 -0.030 6.406 -4.323 1.00 2.70 H new ATOM 0 HZ2 LYS A 96 0.784 6.673 -2.857 1.00 2.70 H new ATOM 0 HZ3 LYS A 96 0.470 7.973 -3.903 1.00 2.70 H new ATOM 1690 N ALA A 97 6.882 10.691 -2.367 1.00 0.50 N ATOM 1691 CA ALA A 97 7.765 11.631 -1.692 1.00 0.53 C ATOM 1692 C ALA A 97 8.653 12.334 -2.710 1.00 0.46 C ATOM 1693 O ALA A 97 9.021 13.492 -2.533 1.00 0.48 O ATOM 1694 CB ALA A 97 8.612 10.925 -0.645 1.00 0.63 C ATOM 0 H ALA A 97 7.058 9.707 -2.165 1.00 0.50 H new ATOM 0 HA ALA A 97 7.153 12.375 -1.183 1.00 0.53 H new ATOM 0 HB1 ALA A 97 9.263 11.649 -0.155 1.00 0.63 H new ATOM 0 HB2 ALA A 97 7.962 10.461 0.097 1.00 0.63 H new ATOM 0 HB3 ALA A 97 9.219 10.158 -1.125 1.00 0.63 H new ATOM 1700 N ARG A 98 8.974 11.633 -3.790 1.00 0.41 N ATOM 1701 CA ARG A 98 9.763 12.215 -4.866 1.00 0.44 C ATOM 1702 C ARG A 98 8.849 12.892 -5.882 1.00 0.44 C ATOM 1703 O ARG A 98 9.320 13.605 -6.764 1.00 0.53 O ATOM 1704 CB ARG A 98 10.637 11.160 -5.542 1.00 0.51 C ATOM 1705 CG ARG A 98 11.397 10.288 -4.564 1.00 1.02 C ATOM 1706 CD ARG A 98 11.845 8.985 -5.204 1.00 0.81 C ATOM 1707 NE ARG A 98 12.243 8.011 -4.192 1.00 1.51 N ATOM 1708 CZ ARG A 98 12.308 6.696 -4.392 1.00 1.94 C ATOM 1709 NH1 ARG A 98 12.023 6.177 -5.579 1.00 1.37 N ATOM 1710 NH2 ARG A 98 12.660 5.897 -3.393 1.00 3.10 N ATOM 0 H ARG A 98 8.700 10.662 -3.943 1.00 0.41 H new ATOM 0 HA ARG A 98 10.425 12.967 -4.436 1.00 0.44 H new ATOM 0 HB2 ARG A 98 10.009 10.527 -6.169 1.00 0.51 H new ATOM 0 HB3 ARG A 98 11.348 11.657 -6.202 1.00 0.51 H new ATOM 0 HG2 ARG A 98 12.267 10.830 -4.194 1.00 1.02 H new ATOM 0 HG3 ARG A 98 10.766 10.072 -3.702 1.00 1.02 H new ATOM 0 HD2 ARG A 98 11.035 8.576 -5.808 1.00 0.81 H new ATOM 0 HD3 ARG A 98 12.680 9.176 -5.878 1.00 0.81 H new ATOM 0 HE ARG A 98 12.489 8.362 -3.266 1.00 1.51 H new ATOM 0 HH11 ARG A 98 11.751 6.787 -6.350 1.00 1.37 H new ATOM 0 HH12 ARG A 98 12.076 5.168 -5.721 1.00 1.37 H new ATOM 0 HH21 ARG A 98 12.879 6.291 -2.478 1.00 3.10 H new ATOM 0 HH22 ARG A 98 12.712 4.889 -3.540 1.00 3.10 H new ATOM 1724 N TYR A 99 7.548 12.692 -5.756 1.00 0.44 N ATOM 1725 CA TYR A 99 6.604 13.511 -6.501 1.00 0.50 C ATOM 1726 C TYR A 99 6.365 14.815 -5.752 1.00 0.54 C ATOM 1727 O TYR A 99 6.385 15.889 -6.347 1.00 0.64 O ATOM 1728 CB TYR A 99 5.275 12.784 -6.746 1.00 0.53 C ATOM 1729 CG TYR A 99 5.312 11.808 -7.904 1.00 0.59 C ATOM 1730 CD1 TYR A 99 5.525 12.259 -9.201 1.00 0.73 C ATOM 1731 CD2 TYR A 99 5.126 10.445 -7.709 1.00 0.60 C ATOM 1732 CE1 TYR A 99 5.554 11.379 -10.267 1.00 0.85 C ATOM 1733 CE2 TYR A 99 5.156 9.561 -8.770 1.00 0.71 C ATOM 1734 CZ TYR A 99 5.369 10.033 -10.047 1.00 0.83 C ATOM 1735 OH TYR A 99 5.398 9.153 -11.102 1.00 0.97 O ATOM 0 H TYR A 99 7.126 11.983 -5.156 1.00 0.44 H new ATOM 0 HA TYR A 99 7.037 13.720 -7.479 1.00 0.50 H new ATOM 0 HB2 TYR A 99 4.994 12.247 -5.840 1.00 0.53 H new ATOM 0 HB3 TYR A 99 4.497 13.524 -6.932 1.00 0.53 H new ATOM 0 HD1 TYR A 99 5.670 13.314 -9.379 1.00 0.73 H new ATOM 0 HD2 TYR A 99 4.955 10.070 -6.711 1.00 0.60 H new ATOM 0 HE1 TYR A 99 5.721 11.746 -11.269 1.00 0.85 H new ATOM 0 HE2 TYR A 99 5.013 8.504 -8.599 1.00 0.71 H new ATOM 0 HH TYR A 99 6.275 8.718 -11.141 1.00 0.97 H new ATOM 1745 N TYR A 100 6.188 14.713 -4.435 1.00 0.51 N ATOM 1746 CA TYR A 100 5.929 15.878 -3.595 1.00 0.58 C ATOM 1747 C TYR A 100 7.077 16.878 -3.646 1.00 0.58 C ATOM 1748 O TYR A 100 6.865 18.086 -3.614 1.00 0.71 O ATOM 1749 CB TYR A 100 5.688 15.467 -2.142 1.00 0.57 C ATOM 1750 CG TYR A 100 4.335 14.838 -1.890 1.00 0.72 C ATOM 1751 CD1 TYR A 100 3.164 15.481 -2.268 1.00 1.03 C ATOM 1752 CD2 TYR A 100 4.230 13.608 -1.260 1.00 0.97 C ATOM 1753 CE1 TYR A 100 1.931 14.908 -2.027 1.00 1.26 C ATOM 1754 CE2 TYR A 100 3.004 13.031 -1.016 1.00 1.16 C ATOM 1755 CZ TYR A 100 1.859 13.684 -1.398 1.00 1.21 C ATOM 1756 OH TYR A 100 0.638 13.105 -1.155 1.00 1.48 O ATOM 0 H TYR A 100 6.220 13.830 -3.926 1.00 0.51 H new ATOM 0 HA TYR A 100 5.032 16.354 -3.991 1.00 0.58 H new ATOM 0 HB2 TYR A 100 6.465 14.763 -1.842 1.00 0.57 H new ATOM 0 HB3 TYR A 100 5.791 16.346 -1.506 1.00 0.57 H new ATOM 0 HD1 TYR A 100 3.218 16.442 -2.757 1.00 1.03 H new ATOM 0 HD2 TYR A 100 5.128 13.092 -0.954 1.00 0.97 H new ATOM 0 HE1 TYR A 100 1.028 15.417 -2.330 1.00 1.26 H new ATOM 0 HE2 TYR A 100 2.944 12.070 -0.527 1.00 1.16 H new ATOM 0 HH TYR A 100 -0.015 13.801 -0.932 1.00 1.48 H new ATOM 1766 N THR A 101 8.293 16.356 -3.728 1.00 0.55 N ATOM 1767 CA THR A 101 9.493 17.177 -3.708 1.00 0.66 C ATOM 1768 C THR A 101 9.721 17.924 -5.025 1.00 0.71 C ATOM 1769 O THR A 101 10.561 18.822 -5.102 1.00 0.71 O ATOM 1770 CB THR A 101 10.718 16.303 -3.397 1.00 0.71 C ATOM 1771 OG1 THR A 101 10.583 15.030 -4.036 1.00 0.65 O ATOM 1772 CG2 THR A 101 10.869 16.121 -1.887 1.00 0.87 C ATOM 0 H THR A 101 8.474 15.356 -3.810 1.00 0.55 H new ATOM 0 HA THR A 101 9.353 17.926 -2.929 1.00 0.66 H new ATOM 0 HB THR A 101 11.611 16.799 -3.779 1.00 0.71 H new ATOM 0 HG1 THR A 101 10.359 14.350 -3.367 1.00 0.65 H new ATOM 0 HG21 THR A 101 11.741 15.500 -1.681 1.00 0.87 H new ATOM 0 HG22 THR A 101 10.997 17.095 -1.414 1.00 0.87 H new ATOM 0 HG23 THR A 101 9.977 15.638 -1.488 1.00 0.87 H new ATOM 1780 N GLY A 102 8.964 17.557 -6.059 1.00 0.82 N ATOM 1781 CA GLY A 102 9.154 18.153 -7.369 1.00 0.95 C ATOM 1782 C GLY A 102 10.213 17.446 -8.202 1.00 0.95 C ATOM 1783 O GLY A 102 10.727 18.012 -9.169 1.00 1.16 O ATOM 0 H GLY A 102 8.223 16.857 -6.011 1.00 0.82 H new ATOM 0 HA2 GLY A 102 8.207 18.138 -7.909 1.00 0.95 H new ATOM 0 HA3 GLY A 102 9.435 19.199 -7.248 1.00 0.95 H new ATOM 1787 N ASN A 103 10.549 16.215 -7.829 1.00 0.82 N ATOM 1788 CA ASN A 103 11.548 15.438 -8.568 1.00 0.89 C ATOM 1789 C ASN A 103 10.904 14.640 -9.693 1.00 0.98 C ATOM 1790 O ASN A 103 11.436 14.584 -10.803 1.00 1.83 O ATOM 1791 CB ASN A 103 12.310 14.495 -7.632 1.00 0.90 C ATOM 1792 CG ASN A 103 13.166 15.234 -6.622 1.00 1.28 C ATOM 1793 OD1 ASN A 103 13.613 16.355 -6.868 1.00 1.76 O ATOM 1794 ND2 ASN A 103 13.405 14.612 -5.478 1.00 1.65 N ATOM 0 H ASN A 103 10.149 15.733 -7.024 1.00 0.82 H new ATOM 0 HA ASN A 103 12.253 16.146 -9.005 1.00 0.89 H new ATOM 0 HB2 ASN A 103 11.598 13.862 -7.103 1.00 0.90 H new ATOM 0 HB3 ASN A 103 12.944 13.836 -8.225 1.00 0.90 H new ATOM 0 HD21 ASN A 103 13.977 15.061 -4.763 1.00 1.65 H new ATOM 0 HD22 ASN A 103 13.017 13.684 -5.311 1.00 1.65 H new ATOM 1801 N GLU A 104 9.766 14.032 -9.391 1.00 0.56 N ATOM 1802 CA GLU A 104 8.988 13.256 -10.363 1.00 0.56 C ATOM 1803 C GLU A 104 9.731 12.010 -10.838 1.00 0.49 C ATOM 1804 O GLU A 104 10.470 12.048 -11.828 1.00 0.55 O ATOM 1805 CB GLU A 104 8.594 14.108 -11.565 1.00 0.67 C ATOM 1806 CG GLU A 104 7.663 15.248 -11.215 1.00 0.80 C ATOM 1807 CD GLU A 104 7.330 16.092 -12.423 1.00 1.15 C ATOM 1808 OE1 GLU A 104 8.215 16.839 -12.889 1.00 1.17 O ATOM 1809 OE2 GLU A 104 6.191 15.997 -12.924 1.00 1.75 O ATOM 0 H GLU A 104 9.349 14.060 -8.461 1.00 0.56 H new ATOM 0 HA GLU A 104 8.086 12.933 -9.844 1.00 0.56 H new ATOM 0 HB2 GLU A 104 9.495 14.513 -12.025 1.00 0.67 H new ATOM 0 HB3 GLU A 104 8.114 13.473 -12.310 1.00 0.67 H new ATOM 0 HG2 GLU A 104 6.744 14.848 -10.787 1.00 0.80 H new ATOM 0 HG3 GLU A 104 8.125 15.873 -10.451 1.00 0.80 H new ATOM 1816 N PRO A 105 9.548 10.897 -10.110 1.00 0.44 N ATOM 1817 CA PRO A 105 10.059 9.580 -10.499 1.00 0.44 C ATOM 1818 C PRO A 105 9.796 9.247 -11.965 1.00 0.42 C ATOM 1819 O PRO A 105 8.749 9.607 -12.517 1.00 0.47 O ATOM 1820 CB PRO A 105 9.257 8.628 -9.619 1.00 0.48 C ATOM 1821 CG PRO A 105 8.924 9.406 -8.399 1.00 0.53 C ATOM 1822 CD PRO A 105 8.857 10.853 -8.810 1.00 0.49 C ATOM 0 HA PRO A 105 11.141 9.522 -10.377 1.00 0.44 H new ATOM 0 HB2 PRO A 105 8.354 8.289 -10.127 1.00 0.48 H new ATOM 0 HB3 PRO A 105 9.837 7.739 -9.372 1.00 0.48 H new ATOM 0 HG2 PRO A 105 7.973 9.079 -7.980 1.00 0.53 H new ATOM 0 HG3 PRO A 105 9.680 9.258 -7.628 1.00 0.53 H new ATOM 0 HD2 PRO A 105 7.825 11.194 -8.897 1.00 0.49 H new ATOM 0 HD3 PRO A 105 9.345 11.497 -8.078 1.00 0.49 H new ATOM 1830 N THR A 106 10.732 8.553 -12.587 1.00 0.42 N ATOM 1831 CA THR A 106 10.542 8.069 -13.941 1.00 0.42 C ATOM 1832 C THR A 106 9.684 6.805 -13.903 1.00 0.39 C ATOM 1833 O THR A 106 9.499 6.229 -12.828 1.00 0.41 O ATOM 1834 CB THR A 106 11.898 7.783 -14.629 1.00 0.50 C ATOM 1835 OG1 THR A 106 11.695 7.317 -15.969 1.00 1.48 O ATOM 1836 CG2 THR A 106 12.696 6.751 -13.850 1.00 1.05 C ATOM 0 H THR A 106 11.633 8.312 -12.174 1.00 0.42 H new ATOM 0 HA THR A 106 10.036 8.839 -14.524 1.00 0.42 H new ATOM 0 HB THR A 106 12.460 8.717 -14.654 1.00 0.50 H new ATOM 0 HG1 THR A 106 12.563 7.143 -16.390 1.00 1.48 H new ATOM 0 HG21 THR A 106 13.645 6.568 -14.355 1.00 1.05 H new ATOM 0 HG22 THR A 106 12.886 7.123 -12.843 1.00 1.05 H new ATOM 0 HG23 THR A 106 12.130 5.821 -13.793 1.00 1.05 H new ATOM 1844 N LYS A 107 9.160 6.366 -15.041 1.00 0.39 N ATOM 1845 CA LYS A 107 8.277 5.201 -15.053 1.00 0.39 C ATOM 1846 C LYS A 107 8.991 3.982 -14.468 1.00 0.36 C ATOM 1847 O LYS A 107 8.385 3.162 -13.778 1.00 0.38 O ATOM 1848 CB LYS A 107 7.780 4.900 -16.471 1.00 0.43 C ATOM 1849 CG LYS A 107 8.900 4.643 -17.469 1.00 1.33 C ATOM 1850 CD LYS A 107 8.365 4.345 -18.863 1.00 1.66 C ATOM 1851 CE LYS A 107 7.610 3.026 -18.908 1.00 2.22 C ATOM 1852 NZ LYS A 107 7.116 2.720 -20.276 1.00 2.88 N ATOM 0 H LYS A 107 9.326 6.789 -15.954 1.00 0.39 H new ATOM 0 HA LYS A 107 7.410 5.429 -14.433 1.00 0.39 H new ATOM 0 HB2 LYS A 107 7.126 4.029 -16.440 1.00 0.43 H new ATOM 0 HB3 LYS A 107 7.178 5.738 -16.821 1.00 0.43 H new ATOM 0 HG2 LYS A 107 9.555 5.513 -17.511 1.00 1.33 H new ATOM 0 HG3 LYS A 107 9.506 3.804 -17.126 1.00 1.33 H new ATOM 0 HD2 LYS A 107 7.705 5.153 -19.179 1.00 1.66 H new ATOM 0 HD3 LYS A 107 9.193 4.314 -19.571 1.00 1.66 H new ATOM 0 HE2 LYS A 107 8.263 2.222 -18.569 1.00 2.22 H new ATOM 0 HE3 LYS A 107 6.768 3.066 -18.218 1.00 2.22 H new ATOM 0 HZ1 LYS A 107 6.607 1.813 -20.266 1.00 2.88 H new ATOM 0 HZ2 LYS A 107 6.473 3.475 -20.590 1.00 2.88 H new ATOM 0 HZ3 LYS A 107 7.922 2.657 -20.930 1.00 2.88 H new ATOM 1866 N ASP A 108 10.298 3.903 -14.715 1.00 0.36 N ATOM 1867 CA ASP A 108 11.114 2.783 -14.253 1.00 0.38 C ATOM 1868 C ASP A 108 11.227 2.764 -12.734 1.00 0.36 C ATOM 1869 O ASP A 108 11.445 1.713 -12.135 1.00 0.38 O ATOM 1870 CB ASP A 108 12.512 2.840 -14.870 1.00 0.47 C ATOM 1871 CG ASP A 108 12.517 2.504 -16.345 1.00 1.29 C ATOM 1872 OD1 ASP A 108 12.554 1.302 -16.684 1.00 1.26 O ATOM 1873 OD2 ASP A 108 12.488 3.438 -17.176 1.00 2.24 O ATOM 0 H ASP A 108 10.817 4.609 -15.237 1.00 0.36 H new ATOM 0 HA ASP A 108 10.617 1.868 -14.574 1.00 0.38 H new ATOM 0 HB2 ASP A 108 12.926 3.838 -14.728 1.00 0.47 H new ATOM 0 HB3 ASP A 108 13.166 2.146 -14.342 1.00 0.47 H new ATOM 1878 N ASP A 109 11.078 3.928 -12.111 1.00 0.36 N ATOM 1879 CA ASP A 109 11.139 4.028 -10.659 1.00 0.37 C ATOM 1880 C ASP A 109 9.910 3.378 -10.041 1.00 0.34 C ATOM 1881 O ASP A 109 9.995 2.677 -9.033 1.00 0.36 O ATOM 1882 CB ASP A 109 11.225 5.493 -10.227 1.00 0.39 C ATOM 1883 CG ASP A 109 11.696 5.638 -8.791 1.00 0.88 C ATOM 1884 OD1 ASP A 109 12.397 4.726 -8.295 1.00 0.94 O ATOM 1885 OD2 ASP A 109 11.397 6.673 -8.160 1.00 1.73 O ATOM 0 H ASP A 109 10.914 4.814 -12.589 1.00 0.36 H new ATOM 0 HA ASP A 109 12.032 3.508 -10.312 1.00 0.37 H new ATOM 0 HB2 ASP A 109 11.909 6.026 -10.888 1.00 0.39 H new ATOM 0 HB3 ASP A 109 10.247 5.961 -10.336 1.00 0.39 H new ATOM 1890 N LEU A 110 8.763 3.608 -10.671 1.00 0.30 N ATOM 1891 CA LEU A 110 7.505 3.023 -10.227 1.00 0.30 C ATOM 1892 C LEU A 110 7.466 1.536 -10.534 1.00 0.29 C ATOM 1893 O LEU A 110 6.993 0.742 -9.727 1.00 0.33 O ATOM 1894 CB LEU A 110 6.311 3.729 -10.880 1.00 0.30 C ATOM 1895 CG LEU A 110 5.923 5.075 -10.258 1.00 0.38 C ATOM 1896 CD1 LEU A 110 7.071 6.063 -10.323 1.00 0.82 C ATOM 1897 CD2 LEU A 110 4.698 5.647 -10.947 1.00 0.82 C ATOM 0 H LEU A 110 8.680 4.200 -11.497 1.00 0.30 H new ATOM 0 HA LEU A 110 7.437 3.158 -9.148 1.00 0.30 H new ATOM 0 HB2 LEU A 110 6.536 3.887 -11.935 1.00 0.30 H new ATOM 0 HB3 LEU A 110 5.448 3.065 -10.834 1.00 0.30 H new ATOM 0 HG LEU A 110 5.687 4.900 -9.208 1.00 0.38 H new ATOM 0 HD11 LEU A 110 6.764 7.008 -9.874 1.00 0.82 H new ATOM 0 HD12 LEU A 110 7.926 5.663 -9.778 1.00 0.82 H new ATOM 0 HD13 LEU A 110 7.349 6.230 -11.364 1.00 0.82 H new ATOM 0 HD21 LEU A 110 4.438 6.603 -10.492 1.00 0.82 H new ATOM 0 HD22 LEU A 110 4.912 5.795 -12.005 1.00 0.82 H new ATOM 0 HD23 LEU A 110 3.863 4.954 -10.839 1.00 0.82 H new ATOM 1909 N LYS A 111 7.977 1.156 -11.697 1.00 0.28 N ATOM 1910 CA LYS A 111 8.050 -0.252 -12.061 1.00 0.31 C ATOM 1911 C LYS A 111 8.866 -1.018 -11.024 1.00 0.33 C ATOM 1912 O LYS A 111 8.462 -2.080 -10.552 1.00 0.35 O ATOM 1913 CB LYS A 111 8.683 -0.422 -13.444 1.00 0.37 C ATOM 1914 CG LYS A 111 7.888 0.234 -14.564 1.00 0.93 C ATOM 1915 CD LYS A 111 8.559 0.048 -15.918 1.00 0.92 C ATOM 1916 CE LYS A 111 8.048 -1.186 -16.654 1.00 1.02 C ATOM 1917 NZ LYS A 111 8.201 -2.434 -15.862 1.00 1.74 N ATOM 0 H LYS A 111 8.345 1.797 -12.400 1.00 0.28 H new ATOM 0 HA LYS A 111 7.036 -0.651 -12.090 1.00 0.31 H new ATOM 0 HB2 LYS A 111 9.688 -0.000 -13.428 1.00 0.37 H new ATOM 0 HB3 LYS A 111 8.787 -1.486 -13.658 1.00 0.37 H new ATOM 0 HG2 LYS A 111 6.885 -0.191 -14.594 1.00 0.93 H new ATOM 0 HG3 LYS A 111 7.778 1.298 -14.356 1.00 0.93 H new ATOM 0 HD2 LYS A 111 8.385 0.932 -16.531 1.00 0.92 H new ATOM 0 HD3 LYS A 111 9.637 -0.036 -15.778 1.00 0.92 H new ATOM 0 HE2 LYS A 111 6.996 -1.045 -16.902 1.00 1.02 H new ATOM 0 HE3 LYS A 111 8.587 -1.291 -17.596 1.00 1.02 H new ATOM 0 HZ1 LYS A 111 8.116 -3.257 -16.492 1.00 1.74 H new ATOM 0 HZ2 LYS A 111 9.135 -2.443 -15.405 1.00 1.74 H new ATOM 0 HZ3 LYS A 111 7.459 -2.476 -15.134 1.00 1.74 H new ATOM 1931 N ALA A 112 10.019 -0.457 -10.674 1.00 0.36 N ATOM 1932 CA ALA A 112 10.910 -1.055 -9.689 1.00 0.42 C ATOM 1933 C ALA A 112 10.282 -1.112 -8.299 1.00 0.43 C ATOM 1934 O ALA A 112 10.460 -2.090 -7.574 1.00 0.47 O ATOM 1935 CB ALA A 112 12.224 -0.289 -9.638 1.00 0.46 C ATOM 0 H ALA A 112 10.360 0.422 -11.064 1.00 0.36 H new ATOM 0 HA ALA A 112 11.097 -2.082 -10.003 1.00 0.42 H new ATOM 0 HB1 ALA A 112 12.882 -0.745 -8.898 1.00 0.46 H new ATOM 0 HB2 ALA A 112 12.702 -0.320 -10.617 1.00 0.46 H new ATOM 0 HB3 ALA A 112 12.030 0.747 -9.362 1.00 0.46 H new ATOM 1941 N SER A 113 9.556 -0.069 -7.920 1.00 0.41 N ATOM 1942 CA SER A 113 8.970 -0.009 -6.590 1.00 0.45 C ATOM 1943 C SER A 113 7.803 -0.980 -6.424 1.00 0.40 C ATOM 1944 O SER A 113 7.599 -1.512 -5.332 1.00 0.44 O ATOM 1945 CB SER A 113 8.539 1.417 -6.256 1.00 0.54 C ATOM 1946 OG SER A 113 7.903 2.033 -7.356 1.00 1.34 O ATOM 0 H SER A 113 9.360 0.740 -8.510 1.00 0.41 H new ATOM 0 HA SER A 113 9.743 -0.317 -5.886 1.00 0.45 H new ATOM 0 HB2 SER A 113 7.861 1.404 -5.402 1.00 0.54 H new ATOM 0 HB3 SER A 113 9.410 2.003 -5.962 1.00 0.54 H new ATOM 0 HG SER A 113 8.580 2.415 -7.953 1.00 1.34 H new ATOM 1952 N VAL A 114 7.048 -1.247 -7.491 1.00 0.36 N ATOM 1953 CA VAL A 114 5.934 -2.175 -7.386 1.00 0.36 C ATOM 1954 C VAL A 114 6.466 -3.608 -7.409 1.00 0.35 C ATOM 1955 O VAL A 114 5.832 -4.536 -6.910 1.00 0.37 O ATOM 1956 CB VAL A 114 4.892 -1.982 -8.518 1.00 0.36 C ATOM 1957 CG1 VAL A 114 4.485 -0.523 -8.654 1.00 0.65 C ATOM 1958 CG2 VAL A 114 5.393 -2.508 -9.843 1.00 0.56 C ATOM 0 H VAL A 114 7.187 -0.841 -8.416 1.00 0.36 H new ATOM 0 HA VAL A 114 5.424 -1.974 -6.444 1.00 0.36 H new ATOM 0 HB VAL A 114 4.014 -2.563 -8.236 1.00 0.36 H new ATOM 0 HG11 VAL A 114 3.754 -0.422 -9.456 1.00 0.65 H new ATOM 0 HG12 VAL A 114 4.046 -0.179 -7.718 1.00 0.65 H new ATOM 0 HG13 VAL A 114 5.363 0.080 -8.886 1.00 0.65 H new ATOM 0 HG21 VAL A 114 4.632 -2.353 -10.607 1.00 0.56 H new ATOM 0 HG22 VAL A 114 6.303 -1.978 -10.124 1.00 0.56 H new ATOM 0 HG23 VAL A 114 5.606 -3.573 -9.754 1.00 0.56 H new ATOM 1962 N LYS A 115 7.650 -3.767 -8.005 1.00 0.35 N ATOM 1963 CA LYS A 115 8.360 -5.041 -8.018 1.00 0.37 C ATOM 1964 C LYS A 115 8.526 -5.597 -6.614 1.00 0.35 C ATOM 1965 O LYS A 115 8.235 -6.766 -6.365 1.00 0.37 O ATOM 1966 CB LYS A 115 9.755 -4.878 -8.620 1.00 0.48 C ATOM 1967 CG LYS A 115 9.817 -4.830 -10.136 1.00 0.84 C ATOM 1968 CD LYS A 115 11.266 -4.795 -10.603 1.00 0.81 C ATOM 1969 CE LYS A 115 11.388 -4.720 -12.116 1.00 1.16 C ATOM 1970 NZ LYS A 115 10.834 -5.923 -12.788 1.00 1.72 N ATOM 0 H LYS A 115 8.140 -3.016 -8.490 1.00 0.35 H new ATOM 0 HA LYS A 115 7.763 -5.726 -8.619 1.00 0.37 H new ATOM 0 HB2 LYS A 115 10.195 -3.961 -8.228 1.00 0.48 H new ATOM 0 HB3 LYS A 115 10.378 -5.703 -8.275 1.00 0.48 H new ATOM 0 HG2 LYS A 115 9.313 -5.701 -10.555 1.00 0.84 H new ATOM 0 HG3 LYS A 115 9.288 -3.949 -10.501 1.00 0.84 H new ATOM 0 HD2 LYS A 115 11.767 -3.935 -10.158 1.00 0.81 H new ATOM 0 HD3 LYS A 115 11.782 -5.686 -10.244 1.00 0.81 H new ATOM 0 HE2 LYS A 115 10.867 -3.833 -12.476 1.00 1.16 H new ATOM 0 HE3 LYS A 115 12.437 -4.606 -12.388 1.00 1.16 H new ATOM 0 HZ1 LYS A 115 11.574 -6.370 -13.366 1.00 1.72 H new ATOM 0 HZ2 LYS A 115 10.500 -6.598 -12.071 1.00 1.72 H new ATOM 0 HZ3 LYS A 115 10.039 -5.645 -13.399 1.00 1.72 H new ATOM 1984 N GLU A 116 8.993 -4.757 -5.698 1.00 0.36 N ATOM 1985 CA GLU A 116 9.354 -5.227 -4.370 1.00 0.38 C ATOM 1986 C GLU A 116 8.116 -5.615 -3.576 1.00 0.37 C ATOM 1987 O GLU A 116 8.151 -6.560 -2.801 1.00 0.38 O ATOM 1988 CB GLU A 116 10.171 -4.181 -3.608 1.00 0.43 C ATOM 1989 CG GLU A 116 11.362 -3.642 -4.382 1.00 0.80 C ATOM 1990 CD GLU A 116 12.398 -4.703 -4.680 1.00 1.30 C ATOM 1991 OE1 GLU A 116 12.257 -5.410 -5.697 1.00 2.27 O ATOM 1992 OE2 GLU A 116 13.369 -4.827 -3.905 1.00 1.32 O ATOM 0 H GLU A 116 9.129 -3.758 -5.850 1.00 0.36 H new ATOM 0 HA GLU A 116 9.977 -6.113 -4.496 1.00 0.38 H new ATOM 0 HB2 GLU A 116 9.519 -3.350 -3.341 1.00 0.43 H new ATOM 0 HB3 GLU A 116 10.526 -4.621 -2.676 1.00 0.43 H new ATOM 0 HG2 GLU A 116 11.014 -3.208 -5.319 1.00 0.80 H new ATOM 0 HG3 GLU A 116 11.826 -2.838 -3.811 1.00 0.80 H new ATOM 1999 N VAL A 117 7.009 -4.925 -3.792 1.00 0.36 N ATOM 2000 CA VAL A 117 5.778 -5.275 -3.094 1.00 0.38 C ATOM 2001 C VAL A 117 5.269 -6.635 -3.582 1.00 0.38 C ATOM 2002 O VAL A 117 4.639 -7.376 -2.836 1.00 0.43 O ATOM 2003 CB VAL A 117 4.684 -4.187 -3.249 1.00 0.43 C ATOM 2004 CG1 VAL A 117 5.292 -2.801 -3.121 1.00 0.81 C ATOM 2005 CG2 VAL A 117 3.925 -4.325 -4.555 1.00 0.78 C ATOM 0 H VAL A 117 6.934 -4.134 -4.432 1.00 0.36 H new ATOM 0 HA VAL A 117 6.007 -5.339 -2.030 1.00 0.38 H new ATOM 0 HB VAL A 117 3.964 -4.330 -2.444 1.00 0.43 H new ATOM 0 HG11 VAL A 117 4.511 -2.049 -3.232 1.00 0.81 H new ATOM 0 HG12 VAL A 117 5.758 -2.697 -2.141 1.00 0.81 H new ATOM 0 HG13 VAL A 117 6.044 -2.660 -3.897 1.00 0.81 H new ATOM 0 HG21 VAL A 117 3.169 -3.543 -4.621 1.00 0.78 H new ATOM 0 HG22 VAL A 117 4.619 -4.231 -5.391 1.00 0.78 H new ATOM 0 HG23 VAL A 117 3.441 -5.301 -4.593 1.00 0.78 H new ATOM 2009 N LEU A 118 5.585 -6.983 -4.820 1.00 0.36 N ATOM 2010 CA LEU A 118 5.241 -8.296 -5.343 1.00 0.36 C ATOM 2011 C LEU A 118 6.274 -9.324 -4.908 1.00 0.36 C ATOM 2012 O LEU A 118 5.955 -10.494 -4.717 1.00 0.38 O ATOM 2013 CB LEU A 118 5.155 -8.253 -6.867 1.00 0.41 C ATOM 2014 CG LEU A 118 4.002 -7.428 -7.433 1.00 0.49 C ATOM 2015 CD1 LEU A 118 4.280 -7.095 -8.878 1.00 1.21 C ATOM 2016 CD2 LEU A 118 2.692 -8.191 -7.328 1.00 0.88 C ATOM 0 H LEU A 118 6.076 -6.378 -5.478 1.00 0.36 H new ATOM 0 HA LEU A 118 4.268 -8.584 -4.944 1.00 0.36 H new ATOM 0 HB2 LEU A 118 6.091 -7.853 -7.256 1.00 0.41 H new ATOM 0 HB3 LEU A 118 5.066 -9.274 -7.238 1.00 0.41 H new ATOM 0 HG LEU A 118 3.915 -6.509 -6.854 1.00 0.49 H new ATOM 0 HD11 LEU A 118 3.456 -6.506 -9.281 1.00 1.21 H new ATOM 0 HD12 LEU A 118 5.204 -6.521 -8.948 1.00 1.21 H new ATOM 0 HD13 LEU A 118 4.381 -8.017 -9.451 1.00 1.21 H new ATOM 0 HD21 LEU A 118 1.884 -7.585 -7.737 1.00 0.88 H new ATOM 0 HD22 LEU A 118 2.767 -9.122 -7.890 1.00 0.88 H new ATOM 0 HD23 LEU A 118 2.484 -8.414 -6.282 1.00 0.88 H new ATOM 2028 N LYS A 119 7.510 -8.874 -4.733 1.00 0.36 N ATOM 2029 CA LYS A 119 8.584 -9.725 -4.270 1.00 0.37 C ATOM 2030 C LYS A 119 8.246 -10.250 -2.887 1.00 0.36 C ATOM 2031 O LYS A 119 8.555 -11.388 -2.536 1.00 0.38 O ATOM 2032 CB LYS A 119 9.884 -8.917 -4.243 1.00 0.39 C ATOM 2033 CG LYS A 119 11.069 -9.674 -3.688 1.00 0.43 C ATOM 2034 CD LYS A 119 12.310 -8.795 -3.605 1.00 0.67 C ATOM 2035 CE LYS A 119 12.200 -7.753 -2.499 1.00 0.57 C ATOM 2036 NZ LYS A 119 12.238 -8.373 -1.148 1.00 0.95 N ATOM 0 H LYS A 119 7.790 -7.909 -4.909 1.00 0.36 H new ATOM 0 HA LYS A 119 8.712 -10.574 -4.941 1.00 0.37 H new ATOM 0 HB2 LYS A 119 10.117 -8.590 -5.256 1.00 0.39 H new ATOM 0 HB3 LYS A 119 9.728 -8.018 -3.646 1.00 0.39 H new ATOM 0 HG2 LYS A 119 10.826 -10.055 -2.696 1.00 0.43 H new ATOM 0 HG3 LYS A 119 11.277 -10.538 -4.319 1.00 0.43 H new ATOM 0 HD2 LYS A 119 13.185 -9.420 -3.428 1.00 0.67 H new ATOM 0 HD3 LYS A 119 12.464 -8.294 -4.561 1.00 0.67 H new ATOM 0 HE2 LYS A 119 13.016 -7.036 -2.593 1.00 0.57 H new ATOM 0 HE3 LYS A 119 11.271 -7.195 -2.617 1.00 0.57 H new ATOM 0 HZ1 LYS A 119 12.109 -7.637 -0.425 1.00 0.95 H new ATOM 0 HZ2 LYS A 119 11.475 -9.075 -1.067 1.00 0.95 H new ATOM 0 HZ3 LYS A 119 13.156 -8.841 -1.006 1.00 0.95 H new ATOM 2050 N LEU A 120 7.590 -9.398 -2.116 1.00 0.36 N ATOM 2051 CA LEU A 120 7.121 -9.735 -0.807 1.00 0.37 C ATOM 2052 C LEU A 120 5.804 -10.487 -0.868 1.00 0.36 C ATOM 2053 O LEU A 120 5.645 -11.492 -0.190 1.00 0.38 O ATOM 2054 CB LEU A 120 6.949 -8.466 0.020 1.00 0.39 C ATOM 2055 CG LEU A 120 8.221 -7.973 0.704 1.00 0.42 C ATOM 2056 CD1 LEU A 120 9.252 -7.500 -0.297 1.00 1.06 C ATOM 2057 CD2 LEU A 120 7.904 -6.875 1.698 1.00 0.99 C ATOM 0 H LEU A 120 7.372 -8.442 -2.398 1.00 0.36 H new ATOM 0 HA LEU A 120 7.861 -10.384 -0.339 1.00 0.37 H new ATOM 0 HB2 LEU A 120 6.571 -7.675 -0.628 1.00 0.39 H new ATOM 0 HB3 LEU A 120 6.189 -8.645 0.781 1.00 0.39 H new ATOM 0 HG LEU A 120 8.649 -8.819 1.241 1.00 0.42 H new ATOM 0 HD11 LEU A 120 10.142 -7.157 0.231 1.00 1.06 H new ATOM 0 HD12 LEU A 120 9.518 -8.322 -0.961 1.00 1.06 H new ATOM 0 HD13 LEU A 120 8.840 -6.679 -0.884 1.00 1.06 H new ATOM 0 HD21 LEU A 120 8.825 -6.538 2.174 1.00 0.99 H new ATOM 0 HD22 LEU A 120 7.437 -6.038 1.179 1.00 0.99 H new ATOM 0 HD23 LEU A 120 7.222 -7.257 2.457 1.00 0.99 H new ATOM 2069 N TYR A 121 4.853 -10.014 -1.679 1.00 0.35 N ATOM 2070 CA TYR A 121 3.505 -10.558 -1.590 1.00 0.36 C ATOM 2071 C TYR A 121 3.418 -11.949 -2.212 1.00 0.38 C ATOM 2072 O TYR A 121 2.694 -12.816 -1.718 1.00 0.41 O ATOM 2073 CB TYR A 121 2.463 -9.608 -2.193 1.00 0.37 C ATOM 2074 CG TYR A 121 1.118 -10.260 -2.433 1.00 0.56 C ATOM 2075 CD1 TYR A 121 0.227 -10.462 -1.387 1.00 0.84 C ATOM 2076 CD2 TYR A 121 0.753 -10.697 -3.702 1.00 0.74 C ATOM 2077 CE1 TYR A 121 -0.991 -11.077 -1.596 1.00 1.13 C ATOM 2078 CE2 TYR A 121 -0.464 -11.317 -3.916 1.00 1.05 C ATOM 2079 CZ TYR A 121 -1.330 -11.503 -2.860 1.00 1.23 C ATOM 2080 OH TYR A 121 -2.539 -12.126 -3.066 1.00 1.54 O ATOM 0 H TYR A 121 4.987 -9.283 -2.378 1.00 0.35 H new ATOM 0 HA TYR A 121 3.272 -10.658 -0.530 1.00 0.36 H new ATOM 0 HB2 TYR A 121 2.331 -8.756 -1.526 1.00 0.37 H new ATOM 0 HB3 TYR A 121 2.842 -9.218 -3.137 1.00 0.37 H new ATOM 0 HD1 TYR A 121 0.492 -10.132 -0.393 1.00 0.84 H new ATOM 0 HD2 TYR A 121 1.429 -10.550 -4.531 1.00 0.74 H new ATOM 0 HE1 TYR A 121 -1.674 -11.223 -0.772 1.00 1.13 H new ATOM 0 HE2 TYR A 121 -0.735 -11.654 -4.906 1.00 1.05 H new ATOM 0 HH TYR A 121 -3.196 -11.787 -2.423 1.00 1.54 H new ATOM 2090 N LYS A 122 4.159 -12.163 -3.295 1.00 0.40 N ATOM 2091 CA LYS A 122 4.210 -13.474 -3.926 1.00 0.45 C ATOM 2092 C LYS A 122 4.894 -14.459 -2.983 1.00 0.43 C ATOM 2093 O LYS A 122 4.617 -15.659 -2.995 1.00 0.46 O ATOM 2094 CB LYS A 122 4.973 -13.408 -5.256 1.00 0.52 C ATOM 2095 CG LYS A 122 4.322 -12.519 -6.314 1.00 0.60 C ATOM 2096 CD LYS A 122 2.957 -13.039 -6.745 1.00 1.21 C ATOM 2097 CE LYS A 122 2.379 -12.218 -7.890 1.00 1.27 C ATOM 2098 NZ LYS A 122 1.050 -12.723 -8.332 1.00 1.98 N ATOM 0 H LYS A 122 4.728 -11.450 -3.750 1.00 0.40 H new ATOM 0 HA LYS A 122 3.193 -13.807 -4.133 1.00 0.45 H new ATOM 0 HB2 LYS A 122 5.982 -13.044 -5.064 1.00 0.52 H new ATOM 0 HB3 LYS A 122 5.069 -14.417 -5.656 1.00 0.52 H new ATOM 0 HG2 LYS A 122 4.216 -11.508 -5.921 1.00 0.60 H new ATOM 0 HG3 LYS A 122 4.975 -12.455 -7.184 1.00 0.60 H new ATOM 0 HD2 LYS A 122 3.045 -14.081 -7.052 1.00 1.21 H new ATOM 0 HD3 LYS A 122 2.273 -13.013 -5.897 1.00 1.21 H new ATOM 0 HE2 LYS A 122 2.284 -11.178 -7.577 1.00 1.27 H new ATOM 0 HE3 LYS A 122 3.071 -12.236 -8.732 1.00 1.27 H new ATOM 0 HZ1 LYS A 122 1.060 -12.872 -9.361 1.00 1.98 H new ATOM 0 HZ2 LYS A 122 0.844 -13.624 -7.854 1.00 1.98 H new ATOM 0 HZ3 LYS A 122 0.316 -12.027 -8.090 1.00 1.98 H new ATOM 2112 N ALA A 123 5.797 -13.926 -2.166 1.00 0.42 N ATOM 2113 CA ALA A 123 6.519 -14.710 -1.180 1.00 0.43 C ATOM 2114 C ALA A 123 5.936 -14.497 0.215 1.00 0.43 C ATOM 2115 O ALA A 123 6.555 -13.869 1.076 1.00 0.70 O ATOM 2116 CB ALA A 123 7.997 -14.351 -1.201 1.00 0.49 C ATOM 0 H ALA A 123 6.046 -12.937 -2.172 1.00 0.42 H new ATOM 0 HA ALA A 123 6.412 -15.765 -1.434 1.00 0.43 H new ATOM 0 HB1 ALA A 123 8.527 -14.946 -0.457 1.00 0.49 H new ATOM 0 HB2 ALA A 123 8.407 -14.557 -2.190 1.00 0.49 H new ATOM 0 HB3 ALA A 123 8.118 -13.292 -0.972 1.00 0.49 H new ATOM 2122 N MET A 124 4.755 -15.052 0.434 1.00 0.44 N ATOM 2123 CA MET A 124 4.086 -14.968 1.728 1.00 0.42 C ATOM 2124 C MET A 124 3.216 -16.193 1.963 1.00 0.42 C ATOM 2125 O MET A 124 2.816 -16.870 1.012 1.00 0.42 O ATOM 2126 CB MET A 124 3.210 -13.720 1.846 1.00 0.41 C ATOM 2127 CG MET A 124 3.990 -12.443 2.079 1.00 0.45 C ATOM 2128 SD MET A 124 3.017 -11.183 2.926 1.00 0.50 S ATOM 2129 CE MET A 124 1.602 -11.065 1.837 1.00 0.46 C ATOM 0 H MET A 124 4.234 -15.571 -0.273 1.00 0.44 H new ATOM 0 HA MET A 124 4.874 -14.914 2.480 1.00 0.42 H new ATOM 0 HB2 MET A 124 2.621 -13.614 0.935 1.00 0.41 H new ATOM 0 HB3 MET A 124 2.505 -13.859 2.666 1.00 0.41 H new ATOM 0 HG2 MET A 124 4.880 -12.667 2.668 1.00 0.45 H new ATOM 0 HG3 MET A 124 4.332 -12.050 1.121 1.00 0.45 H new ATOM 0 HE1 MET A 124 1.351 -10.016 1.679 1.00 0.46 H new ATOM 0 HE2 MET A 124 1.840 -11.530 0.880 1.00 0.46 H new ATOM 0 HE3 MET A 124 0.752 -11.577 2.288 1.00 0.46 H new ATOM 2139 N SER A 125 2.934 -16.473 3.228 1.00 0.47 N ATOM 2140 CA SER A 125 1.987 -17.515 3.595 1.00 0.54 C ATOM 2141 C SER A 125 0.592 -17.178 3.069 1.00 0.58 C ATOM 2142 O SER A 125 0.144 -16.032 3.135 1.00 0.92 O ATOM 2143 CB SER A 125 1.954 -17.664 5.112 1.00 0.62 C ATOM 2144 OG SER A 125 3.246 -17.955 5.617 1.00 1.18 O ATOM 0 H SER A 125 3.352 -15.988 4.022 1.00 0.47 H new ATOM 0 HA SER A 125 2.305 -18.457 3.148 1.00 0.54 H new ATOM 0 HB2 SER A 125 1.580 -16.745 5.564 1.00 0.62 H new ATOM 0 HB3 SER A 125 1.263 -18.460 5.389 1.00 0.62 H new ATOM 0 HG SER A 125 3.497 -17.280 6.281 1.00 1.18 H new ATOM 2150 N ASP A 126 -0.080 -18.204 2.551 1.00 0.44 N ATOM 2151 CA ASP A 126 -1.360 -18.055 1.861 1.00 0.43 C ATOM 2152 C ASP A 126 -2.429 -17.415 2.743 1.00 0.39 C ATOM 2153 O ASP A 126 -3.246 -16.635 2.256 1.00 0.38 O ATOM 2154 CB ASP A 126 -1.849 -19.416 1.350 1.00 0.47 C ATOM 2155 CG ASP A 126 -2.149 -20.394 2.470 1.00 1.37 C ATOM 2156 OD1 ASP A 126 -1.198 -20.994 3.018 1.00 2.21 O ATOM 2157 OD2 ASP A 126 -3.338 -20.567 2.809 1.00 1.81 O ATOM 0 H ASP A 126 0.250 -19.168 2.598 1.00 0.44 H new ATOM 0 HA ASP A 126 -1.191 -17.385 1.018 1.00 0.43 H new ATOM 0 HB2 ASP A 126 -2.748 -19.272 0.750 1.00 0.47 H new ATOM 0 HB3 ASP A 126 -1.092 -19.845 0.693 1.00 0.47 H new ATOM 2162 N ALA A 127 -2.443 -17.758 4.027 1.00 0.38 N ATOM 2163 CA ALA A 127 -3.388 -17.155 4.961 1.00 0.37 C ATOM 2164 C ALA A 127 -3.133 -15.660 5.100 1.00 0.33 C ATOM 2165 O ALA A 127 -4.066 -14.871 5.239 1.00 0.34 O ATOM 2166 CB ALA A 127 -3.312 -17.837 6.316 1.00 0.42 C ATOM 0 H ALA A 127 -1.815 -18.446 4.443 1.00 0.38 H new ATOM 0 HA ALA A 127 -4.393 -17.294 4.562 1.00 0.37 H new ATOM 0 HB1 ALA A 127 -4.024 -17.372 6.998 1.00 0.42 H new ATOM 0 HB2 ALA A 127 -3.552 -18.894 6.205 1.00 0.42 H new ATOM 0 HB3 ALA A 127 -2.304 -17.734 6.719 1.00 0.42 H new ATOM 2172 N GLY A 128 -1.864 -15.280 5.030 1.00 0.31 N ATOM 2173 CA GLY A 128 -1.497 -13.883 5.137 1.00 0.31 C ATOM 2174 C GLY A 128 -1.872 -13.110 3.890 1.00 0.29 C ATOM 2175 O GLY A 128 -2.342 -11.977 3.968 1.00 0.30 O ATOM 0 H GLY A 128 -1.079 -15.919 4.900 1.00 0.31 H new ATOM 0 HA2 GLY A 128 -1.992 -13.442 6.002 1.00 0.31 H new ATOM 0 HA3 GLY A 128 -0.424 -13.800 5.308 1.00 0.31 H new ATOM 2179 N LYS A 129 -1.694 -13.743 2.740 1.00 0.32 N ATOM 2180 CA LYS A 129 -2.009 -13.120 1.460 1.00 0.39 C ATOM 2181 C LYS A 129 -3.501 -12.829 1.358 1.00 0.35 C ATOM 2182 O LYS A 129 -3.909 -11.742 0.951 1.00 0.36 O ATOM 2183 CB LYS A 129 -1.580 -14.033 0.308 1.00 0.56 C ATOM 2184 CG LYS A 129 -0.085 -14.312 0.274 1.00 0.58 C ATOM 2185 CD LYS A 129 0.252 -15.412 -0.718 1.00 0.59 C ATOM 2186 CE LYS A 129 0.017 -14.981 -2.156 1.00 0.94 C ATOM 2187 NZ LYS A 129 0.152 -16.118 -3.104 1.00 1.32 N ATOM 0 H LYS A 129 -1.331 -14.693 2.666 1.00 0.32 H new ATOM 0 HA LYS A 129 -1.463 -12.179 1.394 1.00 0.39 H new ATOM 0 HB2 LYS A 129 -2.116 -14.979 0.387 1.00 0.56 H new ATOM 0 HB3 LYS A 129 -1.877 -13.576 -0.636 1.00 0.56 H new ATOM 0 HG2 LYS A 129 0.450 -13.401 0.005 1.00 0.58 H new ATOM 0 HG3 LYS A 129 0.255 -14.600 1.269 1.00 0.58 H new ATOM 0 HD2 LYS A 129 1.295 -15.704 -0.594 1.00 0.59 H new ATOM 0 HD3 LYS A 129 -0.353 -16.292 -0.501 1.00 0.59 H new ATOM 0 HE2 LYS A 129 -0.979 -14.548 -2.247 1.00 0.94 H new ATOM 0 HE3 LYS A 129 0.729 -14.200 -2.422 1.00 0.94 H new ATOM 0 HZ1 LYS A 129 -0.016 -15.783 -4.074 1.00 1.32 H new ATOM 0 HZ2 LYS A 129 1.111 -16.515 -3.036 1.00 1.32 H new ATOM 0 HZ3 LYS A 129 -0.545 -16.853 -2.866 1.00 1.32 H new ATOM 2201 N ALA A 130 -4.308 -13.809 1.746 1.00 0.35 N ATOM 2202 CA ALA A 130 -5.756 -13.679 1.684 1.00 0.37 C ATOM 2203 C ALA A 130 -6.281 -12.694 2.724 1.00 0.33 C ATOM 2204 O ALA A 130 -7.256 -11.985 2.474 1.00 0.38 O ATOM 2205 CB ALA A 130 -6.407 -15.037 1.871 1.00 0.42 C ATOM 0 H ALA A 130 -3.981 -14.705 2.108 1.00 0.35 H new ATOM 0 HA ALA A 130 -6.014 -13.286 0.700 1.00 0.37 H new ATOM 0 HB1 ALA A 130 -7.491 -14.931 1.823 1.00 0.42 H new ATOM 0 HB2 ALA A 130 -6.074 -15.712 1.083 1.00 0.42 H new ATOM 0 HB3 ALA A 130 -6.125 -15.445 2.842 1.00 0.42 H new ATOM 2211 N ASP A 131 -5.631 -12.644 3.882 1.00 0.29 N ATOM 2212 CA ASP A 131 -6.074 -11.763 4.960 1.00 0.29 C ATOM 2213 C ASP A 131 -5.723 -10.321 4.625 1.00 0.27 C ATOM 2214 O ASP A 131 -6.435 -9.391 5.003 1.00 0.30 O ATOM 2215 CB ASP A 131 -5.450 -12.181 6.293 1.00 0.30 C ATOM 2216 CG ASP A 131 -6.178 -11.611 7.495 1.00 0.40 C ATOM 2217 OD1 ASP A 131 -7.316 -12.051 7.769 1.00 0.55 O ATOM 2218 OD2 ASP A 131 -5.613 -10.735 8.185 1.00 0.45 O ATOM 0 H ASP A 131 -4.802 -13.198 4.099 1.00 0.29 H new ATOM 0 HA ASP A 131 -7.156 -11.845 5.060 1.00 0.29 H new ATOM 0 HB2 ASP A 131 -5.446 -13.269 6.360 1.00 0.30 H new ATOM 0 HB3 ASP A 131 -4.410 -11.856 6.318 1.00 0.30 H new ATOM 2223 N PHE A 132 -4.630 -10.145 3.885 1.00 0.24 N ATOM 2224 CA PHE A 132 -4.267 -8.839 3.346 1.00 0.22 C ATOM 2225 C PHE A 132 -5.372 -8.331 2.426 1.00 0.23 C ATOM 2226 O PHE A 132 -5.615 -7.130 2.334 1.00 0.25 O ATOM 2227 CB PHE A 132 -2.937 -8.925 2.586 1.00 0.23 C ATOM 2228 CG PHE A 132 -2.563 -7.663 1.855 1.00 0.24 C ATOM 2229 CD1 PHE A 132 -2.059 -6.569 2.541 1.00 0.33 C ATOM 2230 CD2 PHE A 132 -2.717 -7.573 0.481 1.00 0.26 C ATOM 2231 CE1 PHE A 132 -1.714 -5.411 1.870 1.00 0.39 C ATOM 2232 CE2 PHE A 132 -2.373 -6.418 -0.194 1.00 0.30 C ATOM 2233 CZ PHE A 132 -1.873 -5.336 0.501 1.00 0.36 C ATOM 0 H PHE A 132 -3.980 -10.894 3.645 1.00 0.24 H new ATOM 0 HA PHE A 132 -4.146 -8.138 4.172 1.00 0.22 H new ATOM 0 HB2 PHE A 132 -2.143 -9.172 3.291 1.00 0.23 H new ATOM 0 HB3 PHE A 132 -2.993 -9.744 1.869 1.00 0.23 H new ATOM 0 HD1 PHE A 132 -1.934 -6.622 3.612 1.00 0.33 H new ATOM 0 HD2 PHE A 132 -3.110 -8.415 -0.068 1.00 0.26 H new ATOM 0 HE1 PHE A 132 -1.321 -4.566 2.416 1.00 0.39 H new ATOM 0 HE2 PHE A 132 -2.495 -6.362 -1.266 1.00 0.30 H new ATOM 0 HZ PHE A 132 -1.606 -4.432 -0.026 1.00 0.36 H new ATOM 2243 N GLY A 133 -6.059 -9.260 1.774 1.00 0.22 N ATOM 2244 CA GLY A 133 -7.135 -8.901 0.876 1.00 0.24 C ATOM 2245 C GLY A 133 -8.367 -8.400 1.604 1.00 0.23 C ATOM 2246 O GLY A 133 -9.280 -7.861 0.986 1.00 0.27 O ATOM 0 H GLY A 133 -5.887 -10.262 1.853 1.00 0.22 H new ATOM 0 HA2 GLY A 133 -6.786 -8.130 0.189 1.00 0.24 H new ATOM 0 HA3 GLY A 133 -7.403 -9.768 0.273 1.00 0.24 H new ATOM 2250 N LYS A 134 -8.401 -8.584 2.917 1.00 0.27 N ATOM 2251 CA LYS A 134 -9.519 -8.120 3.720 1.00 0.29 C ATOM 2252 C LYS A 134 -9.295 -6.670 4.126 1.00 0.30 C ATOM 2253 O LYS A 134 -10.232 -5.881 4.241 1.00 0.39 O ATOM 2254 CB LYS A 134 -9.657 -8.992 4.965 1.00 0.34 C ATOM 2255 CG LYS A 134 -9.815 -10.470 4.660 1.00 0.63 C ATOM 2256 CD LYS A 134 -9.724 -11.303 5.924 1.00 1.29 C ATOM 2257 CE LYS A 134 -9.656 -12.788 5.613 1.00 1.61 C ATOM 2258 NZ LYS A 134 -9.338 -13.583 6.825 1.00 2.43 N ATOM 0 H LYS A 134 -7.666 -9.052 3.447 1.00 0.27 H new ATOM 0 HA LYS A 134 -10.435 -8.188 3.133 1.00 0.29 H new ATOM 0 HB2 LYS A 134 -8.779 -8.852 5.595 1.00 0.34 H new ATOM 0 HB3 LYS A 134 -10.519 -8.655 5.540 1.00 0.34 H new ATOM 0 HG2 LYS A 134 -10.776 -10.643 4.175 1.00 0.63 H new ATOM 0 HG3 LYS A 134 -9.043 -10.784 3.958 1.00 0.63 H new ATOM 0 HD2 LYS A 134 -8.841 -11.009 6.491 1.00 1.29 H new ATOM 0 HD3 LYS A 134 -10.590 -11.102 6.555 1.00 1.29 H new ATOM 0 HE2 LYS A 134 -10.609 -13.118 5.200 1.00 1.61 H new ATOM 0 HE3 LYS A 134 -8.898 -12.967 4.850 1.00 1.61 H new ATOM 0 HZ1 LYS A 134 -9.083 -14.552 6.547 1.00 2.43 H new ATOM 0 HZ2 LYS A 134 -8.540 -13.145 7.328 1.00 2.43 H new ATOM 0 HZ3 LYS A 134 -10.168 -13.609 7.451 1.00 2.43 H new ATOM 2272 N GLN A 135 -8.032 -6.335 4.328 1.00 0.30 N ATOM 2273 CA GLN A 135 -7.642 -5.010 4.777 1.00 0.31 C ATOM 2274 C GLN A 135 -7.340 -4.103 3.595 1.00 0.30 C ATOM 2275 O GLN A 135 -7.693 -2.925 3.594 1.00 0.36 O ATOM 2276 CB GLN A 135 -6.433 -5.122 5.708 1.00 0.33 C ATOM 2277 CG GLN A 135 -6.712 -6.004 6.913 1.00 0.51 C ATOM 2278 CD GLN A 135 -8.010 -5.635 7.611 1.00 0.71 C ATOM 2279 OE1 GLN A 135 -8.403 -4.469 7.654 1.00 1.83 O ATOM 2280 NE2 GLN A 135 -8.700 -6.630 8.133 1.00 0.75 N ATOM 0 H GLN A 135 -7.249 -6.973 4.185 1.00 0.30 H new ATOM 0 HA GLN A 135 -8.470 -4.563 5.327 1.00 0.31 H new ATOM 0 HB2 GLN A 135 -5.586 -5.526 5.153 1.00 0.33 H new ATOM 0 HB3 GLN A 135 -6.146 -4.127 6.048 1.00 0.33 H new ATOM 0 HG2 GLN A 135 -6.757 -7.046 6.595 1.00 0.51 H new ATOM 0 HG3 GLN A 135 -5.886 -5.921 7.620 1.00 0.51 H new ATOM 0 HE21 GLN A 135 -8.342 -7.583 8.078 1.00 0.75 H new ATOM 0 HE22 GLN A 135 -9.592 -6.446 8.592 1.00 0.75 H new ATOM 2289 N PHE A 136 -6.708 -4.665 2.578 1.00 0.26 N ATOM 2290 CA PHE A 136 -6.408 -3.928 1.363 1.00 0.26 C ATOM 2291 C PHE A 136 -6.834 -4.736 0.138 1.00 0.23 C ATOM 2292 O PHE A 136 -6.002 -5.301 -0.576 1.00 0.24 O ATOM 2293 CB PHE A 136 -4.920 -3.565 1.311 1.00 0.31 C ATOM 2294 CG PHE A 136 -4.541 -2.510 2.317 1.00 0.34 C ATOM 2295 CD1 PHE A 136 -4.890 -1.187 2.103 1.00 0.57 C ATOM 2296 CD2 PHE A 136 -3.861 -2.840 3.484 1.00 0.27 C ATOM 2297 CE1 PHE A 136 -4.566 -0.212 3.025 1.00 0.69 C ATOM 2298 CE2 PHE A 136 -3.540 -1.868 4.408 1.00 0.37 C ATOM 2299 CZ PHE A 136 -3.893 -0.555 4.180 1.00 0.58 C ATOM 0 H PHE A 136 -6.392 -5.635 2.571 1.00 0.26 H new ATOM 0 HA PHE A 136 -6.974 -2.996 1.362 1.00 0.26 H new ATOM 0 HB2 PHE A 136 -4.326 -4.461 1.490 1.00 0.31 H new ATOM 0 HB3 PHE A 136 -4.672 -3.212 0.310 1.00 0.31 H new ATOM 0 HD1 PHE A 136 -5.422 -0.915 1.204 1.00 0.57 H new ATOM 0 HD2 PHE A 136 -3.582 -3.867 3.668 1.00 0.27 H new ATOM 0 HE1 PHE A 136 -4.839 0.817 2.843 1.00 0.69 H new ATOM 0 HE2 PHE A 136 -3.012 -2.136 5.311 1.00 0.37 H new ATOM 0 HZ PHE A 136 -3.643 0.205 4.905 1.00 0.58 H new ATOM 2309 N PRO A 137 -8.156 -4.785 -0.118 1.00 0.26 N ATOM 2310 CA PRO A 137 -8.742 -5.595 -1.192 1.00 0.30 C ATOM 2311 C PRO A 137 -8.357 -5.109 -2.583 1.00 0.29 C ATOM 2312 O PRO A 137 -8.278 -5.900 -3.520 1.00 0.30 O ATOM 2313 CB PRO A 137 -10.259 -5.445 -0.987 1.00 0.38 C ATOM 2314 CG PRO A 137 -10.424 -4.857 0.373 1.00 0.63 C ATOM 2315 CD PRO A 137 -9.189 -4.044 0.621 1.00 0.34 C ATOM 0 HA PRO A 137 -8.387 -6.624 -1.141 1.00 0.30 H new ATOM 0 HB2 PRO A 137 -10.695 -4.799 -1.749 1.00 0.38 H new ATOM 0 HB3 PRO A 137 -10.762 -6.409 -1.061 1.00 0.38 H new ATOM 0 HG2 PRO A 137 -11.318 -4.235 0.424 1.00 0.63 H new ATOM 0 HG3 PRO A 137 -10.535 -5.638 1.125 1.00 0.63 H new ATOM 0 HD2 PRO A 137 -9.296 -3.024 0.253 1.00 0.34 H new ATOM 0 HD3 PRO A 137 -8.956 -3.977 1.684 1.00 0.34 H new ATOM 2323 N PHE A 138 -8.114 -3.812 -2.712 1.00 0.32 N ATOM 2324 CA PHE A 138 -7.788 -3.226 -4.005 1.00 0.36 C ATOM 2325 C PHE A 138 -6.360 -3.591 -4.396 1.00 0.35 C ATOM 2326 O PHE A 138 -6.069 -3.844 -5.564 1.00 0.36 O ATOM 2327 CB PHE A 138 -7.959 -1.705 -3.964 1.00 0.43 C ATOM 2328 CG PHE A 138 -7.977 -1.053 -5.318 1.00 0.86 C ATOM 2329 CD1 PHE A 138 -6.798 -0.772 -5.989 1.00 1.56 C ATOM 2330 CD2 PHE A 138 -9.179 -0.720 -5.921 1.00 1.21 C ATOM 2331 CE1 PHE A 138 -6.817 -0.173 -7.233 1.00 2.23 C ATOM 2332 CE2 PHE A 138 -9.205 -0.118 -7.164 1.00 1.88 C ATOM 2333 CZ PHE A 138 -8.021 0.155 -7.820 1.00 2.31 C ATOM 0 H PHE A 138 -8.136 -3.147 -1.939 1.00 0.32 H new ATOM 0 HA PHE A 138 -8.472 -3.626 -4.754 1.00 0.36 H new ATOM 0 HB2 PHE A 138 -8.889 -1.468 -3.446 1.00 0.43 H new ATOM 0 HB3 PHE A 138 -7.148 -1.275 -3.376 1.00 0.43 H new ATOM 0 HD1 PHE A 138 -5.852 -1.025 -5.533 1.00 1.56 H new ATOM 0 HD2 PHE A 138 -10.108 -0.934 -5.413 1.00 1.21 H new ATOM 0 HE1 PHE A 138 -5.890 0.038 -7.746 1.00 2.23 H new ATOM 0 HE2 PHE A 138 -10.149 0.139 -7.622 1.00 1.88 H new ATOM 0 HZ PHE A 138 -8.038 0.625 -8.792 1.00 2.31 H new ATOM 2343 N LEU A 139 -5.476 -3.630 -3.411 1.00 0.35 N ATOM 2344 CA LEU A 139 -4.097 -4.019 -3.658 1.00 0.36 C ATOM 2345 C LEU A 139 -4.002 -5.523 -3.866 1.00 0.33 C ATOM 2346 O LEU A 139 -3.374 -5.979 -4.817 1.00 0.35 O ATOM 2347 CB LEU A 139 -3.183 -3.576 -2.513 1.00 0.40 C ATOM 2348 CG LEU A 139 -2.913 -2.074 -2.430 1.00 0.48 C ATOM 2349 CD1 LEU A 139 -2.132 -1.744 -1.168 1.00 1.02 C ATOM 2350 CD2 LEU A 139 -2.152 -1.603 -3.660 1.00 0.86 C ATOM 0 H LEU A 139 -5.687 -3.399 -2.440 1.00 0.35 H new ATOM 0 HA LEU A 139 -3.761 -3.517 -4.566 1.00 0.36 H new ATOM 0 HB2 LEU A 139 -3.626 -3.900 -1.571 1.00 0.40 H new ATOM 0 HB3 LEU A 139 -2.229 -4.094 -2.612 1.00 0.40 H new ATOM 0 HG LEU A 139 -3.870 -1.553 -2.392 1.00 0.48 H new ATOM 0 HD11 LEU A 139 -1.948 -0.671 -1.124 1.00 1.02 H new ATOM 0 HD12 LEU A 139 -2.707 -2.050 -0.294 1.00 1.02 H new ATOM 0 HD13 LEU A 139 -1.180 -2.275 -1.180 1.00 1.02 H new ATOM 0 HD21 LEU A 139 -1.968 -0.531 -3.585 1.00 0.86 H new ATOM 0 HD22 LEU A 139 -1.201 -2.131 -3.724 1.00 0.86 H new ATOM 0 HD23 LEU A 139 -2.742 -1.808 -4.553 1.00 0.86 H new ATOM 2362 N ALA A 140 -4.649 -6.290 -2.994 1.00 0.30 N ATOM 2363 CA ALA A 140 -4.672 -7.743 -3.137 1.00 0.28 C ATOM 2364 C ALA A 140 -5.238 -8.121 -4.499 1.00 0.28 C ATOM 2365 O ALA A 140 -4.753 -9.041 -5.153 1.00 0.35 O ATOM 2366 CB ALA A 140 -5.484 -8.380 -2.024 1.00 0.25 C ATOM 0 H ALA A 140 -5.161 -5.934 -2.187 1.00 0.30 H new ATOM 0 HA ALA A 140 -3.651 -8.118 -3.064 1.00 0.28 H new ATOM 0 HB1 ALA A 140 -5.488 -9.463 -2.150 1.00 0.25 H new ATOM 0 HB2 ALA A 140 -5.041 -8.129 -1.060 1.00 0.25 H new ATOM 0 HB3 ALA A 140 -6.507 -8.007 -2.061 1.00 0.25 H new ATOM 2372 N LYS A 141 -6.257 -7.376 -4.913 1.00 0.26 N ATOM 2373 CA LYS A 141 -6.835 -7.474 -6.247 1.00 0.27 C ATOM 2374 C LYS A 141 -5.757 -7.550 -7.325 1.00 0.29 C ATOM 2375 O LYS A 141 -5.578 -8.580 -7.983 1.00 0.30 O ATOM 2376 CB LYS A 141 -7.690 -6.233 -6.500 1.00 0.28 C ATOM 2377 CG LYS A 141 -8.340 -6.199 -7.868 1.00 0.36 C ATOM 2378 CD LYS A 141 -9.002 -4.858 -8.126 1.00 1.15 C ATOM 2379 CE LYS A 141 -9.718 -4.842 -9.463 1.00 1.76 C ATOM 2380 NZ LYS A 141 -10.740 -5.919 -9.558 1.00 2.58 N ATOM 0 H LYS A 141 -6.710 -6.678 -4.323 1.00 0.26 H new ATOM 0 HA LYS A 141 -7.432 -8.385 -6.295 1.00 0.27 H new ATOM 0 HB2 LYS A 141 -8.468 -6.179 -5.738 1.00 0.28 H new ATOM 0 HB3 LYS A 141 -7.068 -5.346 -6.383 1.00 0.28 H new ATOM 0 HG2 LYS A 141 -7.590 -6.391 -8.635 1.00 0.36 H new ATOM 0 HG3 LYS A 141 -9.082 -6.994 -7.941 1.00 0.36 H new ATOM 0 HD2 LYS A 141 -9.713 -4.642 -7.328 1.00 1.15 H new ATOM 0 HD3 LYS A 141 -8.250 -4.069 -8.105 1.00 1.15 H new ATOM 0 HE2 LYS A 141 -10.197 -3.873 -9.607 1.00 1.76 H new ATOM 0 HE3 LYS A 141 -8.990 -4.960 -10.266 1.00 1.76 H new ATOM 0 HZ1 LYS A 141 -11.600 -5.543 -10.007 1.00 2.58 H new ATOM 0 HZ2 LYS A 141 -10.366 -6.703 -10.129 1.00 2.58 H new ATOM 0 HZ3 LYS A 141 -10.970 -6.264 -8.604 1.00 2.58 H new ATOM 2394 N VAL A 142 -5.048 -6.439 -7.489 1.00 0.31 N ATOM 2395 CA VAL A 142 -4.077 -6.276 -8.556 1.00 0.36 C ATOM 2396 C VAL A 142 -2.817 -7.105 -8.338 1.00 0.37 C ATOM 2397 O VAL A 142 -2.025 -7.293 -9.264 1.00 0.44 O ATOM 2398 CB VAL A 142 -3.705 -4.790 -8.706 1.00 0.40 C ATOM 2399 CG1 VAL A 142 -4.941 -3.927 -8.564 1.00 0.50 C ATOM 2400 CG2 VAL A 142 -2.667 -4.383 -7.688 1.00 0.48 C ATOM 0 H VAL A 142 -5.133 -5.624 -6.881 1.00 0.31 H new ATOM 0 HA VAL A 142 -4.546 -6.638 -9.471 1.00 0.36 H new ATOM 0 HB VAL A 142 -3.280 -4.646 -9.699 1.00 0.40 H new ATOM 0 HG11 VAL A 142 -4.666 -2.878 -8.672 1.00 0.50 H new ATOM 0 HG12 VAL A 142 -5.662 -4.195 -9.336 1.00 0.50 H new ATOM 0 HG13 VAL A 142 -5.385 -4.087 -7.582 1.00 0.50 H new ATOM 0 HG21 VAL A 142 -2.424 -3.328 -7.818 1.00 0.48 H new ATOM 0 HG22 VAL A 142 -3.059 -4.544 -6.684 1.00 0.48 H new ATOM 0 HG23 VAL A 142 -1.767 -4.983 -7.826 1.00 0.48 H new ATOM 2404 N PHE A 143 -2.615 -7.576 -7.113 1.00 0.33 N ATOM 2405 CA PHE A 143 -1.450 -8.408 -6.823 1.00 0.36 C ATOM 2406 C PHE A 143 -1.728 -9.873 -7.158 1.00 0.40 C ATOM 2407 O PHE A 143 -0.834 -10.593 -7.612 1.00 0.47 O ATOM 2408 CB PHE A 143 -1.001 -8.282 -5.363 1.00 0.36 C ATOM 2409 CG PHE A 143 -0.499 -6.918 -4.967 1.00 0.34 C ATOM 2410 CD1 PHE A 143 0.020 -6.043 -5.906 1.00 0.47 C ATOM 2411 CD2 PHE A 143 -0.544 -6.519 -3.640 1.00 0.58 C ATOM 2412 CE1 PHE A 143 0.481 -4.795 -5.532 1.00 0.47 C ATOM 2413 CE2 PHE A 143 -0.084 -5.273 -3.260 1.00 0.62 C ATOM 2414 CZ PHE A 143 0.428 -4.409 -4.207 1.00 0.39 C ATOM 0 H PHE A 143 -3.229 -7.402 -6.317 1.00 0.33 H new ATOM 0 HA PHE A 143 -0.639 -8.046 -7.455 1.00 0.36 H new ATOM 0 HB2 PHE A 143 -1.838 -8.546 -4.717 1.00 0.36 H new ATOM 0 HB3 PHE A 143 -0.212 -9.011 -5.177 1.00 0.36 H new ATOM 0 HD1 PHE A 143 0.065 -6.339 -6.944 1.00 0.47 H new ATOM 0 HD2 PHE A 143 -0.944 -7.190 -2.894 1.00 0.58 H new ATOM 0 HE1 PHE A 143 0.882 -4.122 -6.275 1.00 0.47 H new ATOM 0 HE2 PHE A 143 -0.125 -4.975 -2.223 1.00 0.62 H new ATOM 0 HZ PHE A 143 0.786 -3.434 -3.913 1.00 0.39 H new ATOM 2424 N GLU A 144 -2.963 -10.317 -6.915 1.00 0.41 N ATOM 2425 CA GLU A 144 -3.377 -11.668 -7.287 1.00 0.45 C ATOM 2426 C GLU A 144 -3.391 -11.806 -8.801 1.00 0.45 C ATOM 2427 O GLU A 144 -2.779 -12.715 -9.362 1.00 0.54 O ATOM 2428 CB GLU A 144 -4.767 -11.999 -6.736 1.00 0.47 C ATOM 2429 CG GLU A 144 -4.842 -12.067 -5.220 1.00 0.60 C ATOM 2430 CD GLU A 144 -6.201 -12.520 -4.724 1.00 1.55 C ATOM 2431 OE1 GLU A 144 -7.127 -11.682 -4.651 1.00 2.58 O ATOM 2432 OE2 GLU A 144 -6.353 -13.721 -4.408 1.00 1.55 O ATOM 0 H GLU A 144 -3.690 -9.762 -6.464 1.00 0.41 H new ATOM 0 HA GLU A 144 -2.660 -12.367 -6.855 1.00 0.45 H new ATOM 0 HB2 GLU A 144 -5.473 -11.247 -7.089 1.00 0.47 H new ATOM 0 HB3 GLU A 144 -5.089 -12.956 -7.147 1.00 0.47 H new ATOM 0 HG2 GLU A 144 -4.078 -12.752 -4.852 1.00 0.60 H new ATOM 0 HG3 GLU A 144 -4.616 -11.085 -4.804 1.00 0.60 H new ATOM 2439 N SER A 145 -4.081 -10.884 -9.455 1.00 0.43 N ATOM 2440 CA SER A 145 -4.158 -10.870 -10.904 1.00 0.49 C ATOM 2441 C SER A 145 -2.847 -10.358 -11.489 1.00 0.57 C ATOM 2442 O SER A 145 -2.075 -9.686 -10.801 1.00 1.32 O ATOM 2443 CB SER A 145 -5.314 -9.974 -11.346 1.00 0.50 C ATOM 2444 OG SER A 145 -6.525 -10.356 -10.713 1.00 1.29 O ATOM 0 H SER A 145 -4.598 -10.132 -9.000 1.00 0.43 H new ATOM 0 HA SER A 145 -4.332 -11.884 -11.265 1.00 0.49 H new ATOM 0 HB2 SER A 145 -5.086 -8.935 -11.106 1.00 0.50 H new ATOM 0 HB3 SER A 145 -5.431 -10.033 -12.428 1.00 0.50 H new ATOM 0 HG SER A 145 -7.250 -9.767 -11.010 1.00 1.29 H new ATOM 2450 N GLY A 146 -2.598 -10.671 -12.752 1.00 0.79 N ATOM 2451 CA GLY A 146 -1.391 -10.205 -13.407 1.00 0.78 C ATOM 2452 C GLY A 146 -1.494 -8.747 -13.807 1.00 0.70 C ATOM 2453 O GLY A 146 -1.256 -8.390 -14.960 1.00 1.09 O ATOM 0 H GLY A 146 -3.210 -11.240 -13.336 1.00 0.79 H new ATOM 0 HA2 GLY A 146 -0.540 -10.339 -12.739 1.00 0.78 H new ATOM 0 HA3 GLY A 146 -1.200 -10.812 -14.292 1.00 0.78 H new ATOM 2457 N LYS A 147 -1.849 -7.905 -12.848 1.00 0.54 N ATOM 2458 CA LYS A 147 -2.068 -6.496 -13.104 1.00 0.48 C ATOM 2459 C LYS A 147 -0.848 -5.691 -12.683 1.00 0.40 C ATOM 2460 O LYS A 147 -0.174 -5.085 -13.517 1.00 0.45 O ATOM 2461 CB LYS A 147 -3.311 -6.028 -12.356 1.00 0.54 C ATOM 2462 CG LYS A 147 -3.815 -4.671 -12.802 1.00 0.83 C ATOM 2463 CD LYS A 147 -5.169 -4.370 -12.189 1.00 1.15 C ATOM 2464 CE LYS A 147 -5.763 -3.100 -12.756 1.00 1.55 C ATOM 2465 NZ LYS A 147 -4.964 -1.904 -12.397 1.00 1.98 N ATOM 0 H LYS A 147 -1.992 -8.181 -11.876 1.00 0.54 H new ATOM 0 HA LYS A 147 -2.224 -6.342 -14.172 1.00 0.48 H new ATOM 0 HB2 LYS A 147 -4.104 -6.763 -12.492 1.00 0.54 H new ATOM 0 HB3 LYS A 147 -3.090 -5.991 -11.289 1.00 0.54 H new ATOM 0 HG2 LYS A 147 -3.101 -3.900 -12.513 1.00 0.83 H new ATOM 0 HG3 LYS A 147 -3.889 -4.645 -13.889 1.00 0.83 H new ATOM 0 HD2 LYS A 147 -5.847 -5.204 -12.373 1.00 1.15 H new ATOM 0 HD3 LYS A 147 -5.067 -4.275 -11.108 1.00 1.15 H new ATOM 0 HE2 LYS A 147 -5.825 -3.182 -13.841 1.00 1.55 H new ATOM 0 HE3 LYS A 147 -6.781 -2.980 -12.387 1.00 1.55 H new ATOM 0 HZ1 LYS A 147 -5.292 -1.088 -12.952 1.00 1.98 H new ATOM 0 HZ2 LYS A 147 -5.078 -1.702 -11.383 1.00 1.98 H new ATOM 0 HZ3 LYS A 147 -3.960 -2.082 -12.604 1.00 1.98 H new ATOM 2479 N ALA A 148 -0.555 -5.701 -11.388 1.00 0.33 N ATOM 2480 CA ALA A 148 0.643 -5.050 -10.882 1.00 0.29 C ATOM 2481 C ALA A 148 1.865 -5.846 -11.294 1.00 0.31 C ATOM 2482 O ALA A 148 2.929 -5.291 -11.559 1.00 0.34 O ATOM 2483 CB ALA A 148 0.586 -4.915 -9.370 1.00 0.33 C ATOM 0 H ALA A 148 -1.128 -6.151 -10.674 1.00 0.33 H new ATOM 0 HA ALA A 148 0.705 -4.048 -11.307 1.00 0.29 H new ATOM 0 HB1 ALA A 148 1.492 -4.425 -9.014 1.00 0.33 H new ATOM 0 HB2 ALA A 148 -0.282 -4.318 -9.090 1.00 0.33 H new ATOM 0 HB3 ALA A 148 0.507 -5.904 -8.919 1.00 0.33 H new ATOM 2489 N ALA A 149 1.688 -7.162 -11.350 1.00 0.35 N ATOM 2490 CA ALA A 149 2.742 -8.070 -11.774 1.00 0.41 C ATOM 2491 C ALA A 149 3.276 -7.703 -13.159 1.00 0.43 C ATOM 2492 O ALA A 149 4.475 -7.768 -13.408 1.00 0.51 O ATOM 2493 CB ALA A 149 2.224 -9.497 -11.764 1.00 0.48 C ATOM 0 H ALA A 149 0.813 -7.625 -11.104 1.00 0.35 H new ATOM 0 HA ALA A 149 3.571 -7.983 -11.071 1.00 0.41 H new ATOM 0 HB1 ALA A 149 3.017 -10.174 -12.082 1.00 0.48 H new ATOM 0 HB2 ALA A 149 1.904 -9.761 -10.756 1.00 0.48 H new ATOM 0 HB3 ALA A 149 1.378 -9.582 -12.447 1.00 0.48 H new ATOM 2499 N LYS A 150 2.384 -7.278 -14.045 1.00 0.41 N ATOM 2500 CA LYS A 150 2.771 -6.950 -15.413 1.00 0.46 C ATOM 2501 C LYS A 150 3.266 -5.511 -15.522 1.00 0.45 C ATOM 2502 O LYS A 150 3.971 -5.161 -16.470 1.00 0.59 O ATOM 2503 CB LYS A 150 1.613 -7.206 -16.380 1.00 0.53 C ATOM 2504 CG LYS A 150 1.703 -8.555 -17.085 1.00 1.16 C ATOM 2505 CD LYS A 150 1.773 -9.717 -16.102 1.00 1.45 C ATOM 2506 CE LYS A 150 2.041 -11.031 -16.819 1.00 1.96 C ATOM 2507 NZ LYS A 150 2.057 -12.188 -15.883 1.00 2.82 N ATOM 0 H LYS A 150 1.392 -7.152 -13.843 1.00 0.41 H new ATOM 0 HA LYS A 150 3.598 -7.603 -15.691 1.00 0.46 H new ATOM 0 HB2 LYS A 150 0.672 -7.152 -15.832 1.00 0.53 H new ATOM 0 HB3 LYS A 150 1.592 -6.414 -17.128 1.00 0.53 H new ATOM 0 HG2 LYS A 150 0.836 -8.682 -17.733 1.00 1.16 H new ATOM 0 HG3 LYS A 150 2.585 -8.570 -17.725 1.00 1.16 H new ATOM 0 HD2 LYS A 150 2.561 -9.531 -15.372 1.00 1.45 H new ATOM 0 HD3 LYS A 150 0.836 -9.786 -15.550 1.00 1.45 H new ATOM 0 HE2 LYS A 150 1.276 -11.191 -17.579 1.00 1.96 H new ATOM 0 HE3 LYS A 150 2.998 -10.972 -17.337 1.00 1.96 H new ATOM 0 HZ1 LYS A 150 2.243 -13.062 -16.415 1.00 2.82 H new ATOM 0 HZ2 LYS A 150 2.804 -12.049 -15.172 1.00 2.82 H new ATOM 0 HZ3 LYS A 150 1.135 -12.262 -15.407 1.00 2.82 H new ATOM 2521 N PHE A 151 2.900 -4.682 -14.551 1.00 0.35 N ATOM 2522 CA PHE A 151 3.446 -3.331 -14.452 1.00 0.36 C ATOM 2523 C PHE A 151 4.880 -3.403 -13.941 1.00 0.40 C ATOM 2524 O PHE A 151 5.745 -2.614 -14.332 1.00 0.46 O ATOM 2525 CB PHE A 151 2.586 -2.469 -13.521 1.00 0.34 C ATOM 2526 CG PHE A 151 3.015 -1.029 -13.467 1.00 0.33 C ATOM 2527 CD1 PHE A 151 2.840 -0.198 -14.561 1.00 0.46 C ATOM 2528 CD2 PHE A 151 3.596 -0.506 -12.324 1.00 0.43 C ATOM 2529 CE1 PHE A 151 3.237 1.125 -14.517 1.00 0.49 C ATOM 2530 CE2 PHE A 151 3.995 0.815 -12.272 1.00 0.44 C ATOM 2531 CZ PHE A 151 3.816 1.632 -13.370 1.00 0.39 C ATOM 0 H PHE A 151 2.228 -4.920 -13.821 1.00 0.35 H new ATOM 0 HA PHE A 151 3.439 -2.869 -15.439 1.00 0.36 H new ATOM 0 HB2 PHE A 151 1.548 -2.518 -13.850 1.00 0.34 H new ATOM 0 HB3 PHE A 151 2.622 -2.888 -12.515 1.00 0.34 H new ATOM 0 HD1 PHE A 151 2.387 -0.589 -15.460 1.00 0.46 H new ATOM 0 HD2 PHE A 151 3.739 -1.140 -11.461 1.00 0.43 H new ATOM 0 HE1 PHE A 151 3.095 1.761 -15.378 1.00 0.49 H new ATOM 0 HE2 PHE A 151 4.447 1.208 -11.373 1.00 0.44 H new ATOM 0 HZ PHE A 151 4.128 2.665 -13.332 1.00 0.39 H new ATOM 2541 N ALA A 152 5.121 -4.373 -13.077 1.00 0.39 N ATOM 2542 CA ALA A 152 6.445 -4.616 -12.537 1.00 0.44 C ATOM 2543 C ALA A 152 7.313 -5.391 -13.514 1.00 0.52 C ATOM 2544 O ALA A 152 8.486 -5.076 -13.705 1.00 0.59 O ATOM 2545 CB ALA A 152 6.343 -5.390 -11.235 1.00 0.44 C ATOM 0 H ALA A 152 4.406 -5.013 -12.731 1.00 0.39 H new ATOM 0 HA ALA A 152 6.910 -3.647 -12.358 1.00 0.44 H new ATOM 0 HB1 ALA A 152 7.342 -5.567 -10.838 1.00 0.44 H new ATOM 0 HB2 ALA A 152 5.763 -4.814 -10.514 1.00 0.44 H new ATOM 0 HB3 ALA A 152 5.850 -6.345 -11.417 1.00 0.44 H new ATOM 2551 N GLY A 153 6.723 -6.398 -14.141 1.00 0.65 N ATOM 2552 CA GLY A 153 7.487 -7.330 -14.943 1.00 0.84 C ATOM 2553 C GLY A 153 7.745 -8.606 -14.175 1.00 1.06 C ATOM 2554 O GLY A 153 8.397 -9.531 -14.666 1.00 1.62 O ATOM 0 H GLY A 153 5.721 -6.587 -14.108 1.00 0.65 H new ATOM 0 HA2 GLY A 153 6.946 -7.555 -15.862 1.00 0.84 H new ATOM 0 HA3 GLY A 153 8.434 -6.876 -15.234 1.00 0.84 H new